smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000514340507 1067036565 /nfs/dbraw/zinc/03/65/65/1067036565.db2.gz FKHIQZCWUAWMHA-UHFFFAOYSA-N 1 3 492.621 -1.464 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCN1CCN(C)CC1)C(N)=O ZINC001143238433 1067275246 /nfs/dbraw/zinc/27/52/46/1067275246.db2.gz UQVJUGNVXRQHBE-ZJOUEHCJSA-N 1 3 495.669 -1.145 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2nnn(C)c3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001152759728 1067241538 /nfs/dbraw/zinc/24/15/38/1067241538.db2.gz LYHPOHXRPFDYQX-BZLJGGKDSA-N 1 3 466.543 -1.268 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2nnn(C)c3=O)[C@H](O)OC(C)(C)C)C1 ZINC001152759732 1067280268 /nfs/dbraw/zinc/28/02/68/1067280268.db2.gz LYHPOHXRPFDYQX-KLDKLHMUSA-N 1 3 466.543 -1.268 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2nnn(C)c3=O)[C@@H](O)OC(C)(C)C)C1 ZINC001152759735 1067280190 /nfs/dbraw/zinc/28/01/90/1067280190.db2.gz LYHPOHXRPFDYQX-SEAADYSGSA-N 1 3 466.543 -1.268 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncn3c2nnn(C)c3=O)[C@H](O)OC(C)(C)C)C1 ZINC001152759826 1067280329 /nfs/dbraw/zinc/28/03/29/1067280329.db2.gz LYHPOHXRPFDYQX-ZTQJHCERSA-N 1 3 466.543 -1.268 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC2(CC[NH2+]CC2)C1)C(=O)CF ZINC001158076389 1067284472 /nfs/dbraw/zinc/28/44/72/1067284472.db2.gz HHWPVHBFKUETMU-MPGHIAIKSA-N 1 3 457.547 -1.131 20 0 JAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100770 1067284824 /nfs/dbraw/zinc/28/48/24/1067284824.db2.gz BXVAWKFJRUCJLY-KPDCDPCYSA-N 1 3 458.563 -1.496 20 0 JAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100771 1067285659 /nfs/dbraw/zinc/28/56/59/1067285659.db2.gz BXVAWKFJRUCJLY-NYDSKATKSA-N 1 3 458.563 -1.496 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C(=O)CF ZINC001158103027 1067285533 /nfs/dbraw/zinc/28/55/33/1067285533.db2.gz ZWDRLERBQUCECW-NXWOVTFFSA-N 1 3 456.519 -2.422 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C(=O)CF ZINC001158103029 1067285260 /nfs/dbraw/zinc/28/52/60/1067285260.db2.gz ZWDRLERBQUCECW-XZYPCVKCSA-N 1 3 456.519 -2.422 20 0 JAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120221 1067285338 /nfs/dbraw/zinc/28/53/38/1067285338.db2.gz KMHXWLCDRLOXBJ-CFLDLGCGSA-N 1 3 462.595 -1.206 20 0 JAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120222 1067285445 /nfs/dbraw/zinc/28/54/45/1067285445.db2.gz KMHXWLCDRLOXBJ-DSFVOBFGSA-N 1 3 462.595 -1.206 20 0 JAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120929 1067285561 /nfs/dbraw/zinc/28/55/61/1067285561.db2.gz VUWKPTCYGVMJTL-JVFUWBCBSA-N 1 3 484.601 -1.249 20 0 JAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120930 1067285598 /nfs/dbraw/zinc/28/55/98/1067285598.db2.gz VUWKPTCYGVMJTL-KHOMTPLRSA-N 1 3 484.601 -1.249 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(=O)CF ZINC001158277168 1067286115 /nfs/dbraw/zinc/28/61/15/1067286115.db2.gz LKJALKPVQQAFHJ-DOXZYTNZSA-N 1 3 494.572 -1.400 20 0 JAADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001158378867 1067286267 /nfs/dbraw/zinc/28/62/67/1067286267.db2.gz AGORWQZNWMBEIL-LJYYHZRSSA-N 1 3 451.446 -1.373 20 0 JAADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001158378868 1067285952 /nfs/dbraw/zinc/28/59/52/1067285952.db2.gz AGORWQZNWMBEIL-SKZFOKARSA-N 1 3 451.446 -1.373 20 0 JAADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001158378869 1067286179 /nfs/dbraw/zinc/28/61/79/1067286179.db2.gz AGORWQZNWMBEIL-YGSYIFCWSA-N 1 3 451.446 -1.373 20 0 JAADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001158378870 1067286212 /nfs/dbraw/zinc/28/62/12/1067286212.db2.gz AGORWQZNWMBEIL-YNHQPCIGSA-N 1 3 451.446 -1.373 20 0 JAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001158498551 1067287113 /nfs/dbraw/zinc/28/71/13/1067287113.db2.gz PZQUFKODSZTRHB-ZJPHLAFSSA-N 1 3 485.557 -1.360 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)C(=O)CF ZINC001158548491 1067287089 /nfs/dbraw/zinc/28/70/89/1067287089.db2.gz VAWXIKRDQMFUIC-MHRRCDSLSA-N 1 3 469.558 -1.133 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)C(=O)CF ZINC001158548492 1067287235 /nfs/dbraw/zinc/28/72/35/1067287235.db2.gz VAWXIKRDQMFUIC-PLUZIODPSA-N 1 3 469.558 -1.133 20 0 JAADHO N[C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158681063 1067287674 /nfs/dbraw/zinc/28/76/74/1067287674.db2.gz ILHRUQCCNDRXDD-BBWFWOEESA-N 1 3 450.565 -1.137 20 0 JAADHO N[C@@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158681064 1067287763 /nfs/dbraw/zinc/28/77/63/1067287763.db2.gz ILHRUQCCNDRXDD-GVDBMIGSSA-N 1 3 450.565 -1.137 20 0 JAADHO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158683763 1067289350 /nfs/dbraw/zinc/28/93/50/1067289350.db2.gz ZAAMDPMASBUOAY-KYFSNAEOSA-N 1 3 462.576 -1.265 20 0 JAADHO CC(C)N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883114 1067291003 /nfs/dbraw/zinc/29/10/03/1067291003.db2.gz FUXWOIIDPZKSKM-MAUKXSAKSA-N 1 3 490.609 -1.160 20 0 JAADHO CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158884421 1067291098 /nfs/dbraw/zinc/29/10/98/1067291098.db2.gz MKMLSLMXSBPTOO-YOEHRIQHSA-N 1 3 476.582 -1.550 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)C(N)=O ZINC001159122806 1067294124 /nfs/dbraw/zinc/29/41/24/1067294124.db2.gz AKEDNKOLTLSGRY-UXLLHSPISA-N 1 3 464.571 -1.549 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)C(N)=O ZINC001159122807 1067294730 /nfs/dbraw/zinc/29/47/30/1067294730.db2.gz AKEDNKOLTLSGRY-ZMSDIMECSA-N 1 3 464.571 -1.549 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124209 1067294618 /nfs/dbraw/zinc/29/46/18/1067294618.db2.gz MDWABKRIVRTQLV-DZKIICNBSA-N 1 3 450.544 -1.939 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124210 1067294567 /nfs/dbraw/zinc/29/45/67/1067294567.db2.gz MDWABKRIVRTQLV-OFQRWUPVSA-N 1 3 450.544 -1.939 20 0 JAADHO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2CNCC4)CC3)C1=O ZINC001159182850 1067295891 /nfs/dbraw/zinc/29/58/91/1067295891.db2.gz VFXPKYISWDNTTK-HBGVWJBISA-N 1 3 453.609 -1.082 20 0 JAADHO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2CNCC4)CC3)C1=O ZINC001159182851 1067296117 /nfs/dbraw/zinc/29/61/17/1067296117.db2.gz VFXPKYISWDNTTK-MAODMQOUSA-N 1 3 453.609 -1.082 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395324 1067299184 /nfs/dbraw/zinc/29/91/84/1067299184.db2.gz WYFFKABAKQNSHP-FBUXBERBSA-N 1 3 479.563 -2.475 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C(N)=O ZINC001159395772 1067299543 /nfs/dbraw/zinc/29/95/43/1067299543.db2.gz YRTNMQRLZOYAOT-DANNLKNASA-N 1 3 493.590 -2.085 20 0 JAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)COC1(C)C ZINC001159608779 1067305184 /nfs/dbraw/zinc/30/51/84/1067305184.db2.gz AWYBOHZEKWIHPW-IRXDYDNUSA-N 1 3 452.600 -1.006 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)C(N)=O ZINC001159609735 1067305431 /nfs/dbraw/zinc/30/54/31/1067305431.db2.gz IZIQGNQCFBJOFP-JKSUJKDBSA-N 1 3 453.588 -2.219 20 0 JAADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159611098 1067304973 /nfs/dbraw/zinc/30/49/73/1067304973.db2.gz WRLDUZBSIZDZMO-UHFFFAOYSA-N 1 3 482.586 -4.010 20 0 JAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160381516 1067316915 /nfs/dbraw/zinc/31/69/15/1067316915.db2.gz WIECRDZQNPHDIG-HOTGVXAUSA-N 1 3 464.571 -1.328 20 0 JAADHO CCOC(=O)[C@]12CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@H]1C[NH2+]CC2 ZINC001160812164 1067321224 /nfs/dbraw/zinc/32/12/24/1067321224.db2.gz ISTWZRHVJZNRNZ-QTSPYONBSA-N 1 3 499.584 -1.111 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1ncccn1)C1C[NH2+]C1)C(=O)CF ZINC001160916080 1067322432 /nfs/dbraw/zinc/32/24/32/1067322432.db2.gz UEVODCNKCKVUAO-JDFRZJQESA-N 1 3 451.503 -1.317 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C(=O)CF ZINC001161010150 1067323013 /nfs/dbraw/zinc/32/30/13/1067323013.db2.gz ZWGLIPTXHSZVIV-DNUAJFIVSA-N 1 3 457.547 -1.397 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C(=O)CF ZINC001161010151 1067323224 /nfs/dbraw/zinc/32/32/24/1067323224.db2.gz ZWGLIPTXHSZVIV-KMCQBPLKSA-N 1 3 457.547 -1.397 20 0 JAADHO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118605 1067323431 /nfs/dbraw/zinc/32/34/31/1067323431.db2.gz IDICWIRMVCUNQO-JYJNAYRXSA-N 1 3 475.562 -1.495 20 0 JAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118614 1067323753 /nfs/dbraw/zinc/32/37/53/1067323753.db2.gz IDICWIRMVCUNQO-XHSDSOJGSA-N 1 3 475.562 -1.495 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C(N)=O ZINC001161123760 1067324401 /nfs/dbraw/zinc/32/44/01/1067324401.db2.gz SIUUDMZBPNQOCB-JONQDZQNSA-N 1 3 487.552 -2.174 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124876 1067324253 /nfs/dbraw/zinc/32/42/53/1067324253.db2.gz ZSCKJZULIVFXNC-AJNGGQMLSA-N 1 3 473.525 -2.564 20 0 JAADHO CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001161158256 1067325316 /nfs/dbraw/zinc/32/53/16/1067325316.db2.gz SJENBPKRZABLGE-DEYYWGMASA-N 1 3 461.535 -1.372 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)C(N)=O ZINC001161358353 1067326306 /nfs/dbraw/zinc/32/63/06/1067326306.db2.gz BVUMXRBIVDYCGV-XJKSGUPXSA-N 1 3 466.564 -1.071 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161359828 1067326033 /nfs/dbraw/zinc/32/60/33/1067326033.db2.gz OLOJOGFUFAMXEF-WFASDCNBSA-N 1 3 452.537 -1.461 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C(=O)CF ZINC001161377573 1067326427 /nfs/dbraw/zinc/32/64/27/1067326427.db2.gz HUXUBZYIUQJVHQ-FORWCCJISA-N 1 3 470.590 -1.088 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C(=O)CF ZINC001161377574 1067326260 /nfs/dbraw/zinc/32/62/60/1067326260.db2.gz HUXUBZYIUQJVHQ-VERUCKTNSA-N 1 3 470.590 -1.088 20 0 JAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2 ZINC001161479976 1067326911 /nfs/dbraw/zinc/32/69/11/1067326911.db2.gz RIJQHJLLRLRHFC-BFTUCYNDSA-N 1 3 485.557 -1.359 20 0 JAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2 ZINC001161479977 1067326611 /nfs/dbraw/zinc/32/66/11/1067326611.db2.gz RIJQHJLLRLRHFC-HLXOTRNMSA-N 1 3 485.557 -1.359 20 0 JAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2 ZINC001161479978 1067326937 /nfs/dbraw/zinc/32/69/37/1067326937.db2.gz RIJQHJLLRLRHFC-JFAOBLJGSA-N 1 3 485.557 -1.359 20 0 JAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2 ZINC001161479979 1067326775 /nfs/dbraw/zinc/32/67/75/1067326775.db2.gz RIJQHJLLRLRHFC-KZMWDXIISA-N 1 3 485.557 -1.359 20 0 JAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506649 1067326802 /nfs/dbraw/zinc/32/68/02/1067326802.db2.gz NAMLFLLMAATKCY-BZSNNMDCSA-N 1 3 450.584 -1.171 20 0 JAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506650 1067326848 /nfs/dbraw/zinc/32/68/48/1067326848.db2.gz NAMLFLLMAATKCY-SQNIBIBYSA-N 1 3 450.584 -1.171 20 0 JAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001162844617 1067330073 /nfs/dbraw/zinc/33/00/73/1067330073.db2.gz FFFKMZGFZJQNKO-RDJZCZTQSA-N 1 3 455.523 -1.552 20 0 JAADHO COc1cccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c21 ZINC001163437970 1067330699 /nfs/dbraw/zinc/33/06/99/1067330699.db2.gz ACEDEQZNDOPGMR-RDJZCZTQSA-N 1 3 497.560 -1.091 20 0 JAADHO COc1cc(C)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437972 1067330870 /nfs/dbraw/zinc/33/08/70/1067330870.db2.gz ACWXVLSNNKOKJS-HOTGVXAUSA-N 1 3 460.539 -1.331 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CC3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163437974 1067330423 /nfs/dbraw/zinc/33/04/23/1067330423.db2.gz ADRHUHPTONXKKH-RDJZCZTQSA-N 1 3 457.539 -1.375 20 0 JAADHO COCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163437975 1067330896 /nfs/dbraw/zinc/33/08/96/1067330896.db2.gz AILUANQYVGZTPM-HOTGVXAUSA-N 1 3 461.527 -2.106 20 0 JAADHO CC(C)COc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437977 1067330648 /nfs/dbraw/zinc/33/06/48/1067330648.db2.gz AKXMYYBMDRHMGB-IRXDYDNUSA-N 1 3 489.581 -1.218 20 0 JAADHO CN(C)c1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163437984 1067331489 /nfs/dbraw/zinc/33/14/89/1067331489.db2.gz ASCKGMGDBPTYGS-KBPBESRZSA-N 1 3 494.988 -1.533 20 0 JAADHO CCc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163437989 1067331630 /nfs/dbraw/zinc/33/16/30/1067331630.db2.gz AWSLYDBBNWTGKV-GJZGRUSLSA-N 1 3 479.973 -1.037 20 0 JAADHO CS(=O)(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438022 1067331173 /nfs/dbraw/zinc/33/11/73/1067331173.db2.gz BZRIYVVARZPPGR-HOTGVXAUSA-N 1 3 494.578 -2.244 20 0 JAADHO Cc1nc(C)c(C)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438058 1067331212 /nfs/dbraw/zinc/33/12/12/1067331212.db2.gz CRHJPXPNVRSCSB-IRXDYDNUSA-N 1 3 459.555 -1.327 20 0 JAADHO COCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438094 1067331305 /nfs/dbraw/zinc/33/13/05/1067331305.db2.gz DDJMHELSIYWITC-IRXDYDNUSA-N 1 3 460.539 -1.501 20 0 JAADHO COc1c(Cl)nc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438109 1067331234 /nfs/dbraw/zinc/33/12/34/1067331234.db2.gz DNVCHDOEIDLRLS-KBPBESRZSA-N 1 3 495.972 -1.282 20 0 JAADHO Cc1nc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438143 1067331661 /nfs/dbraw/zinc/33/16/61/1067331661.db2.gz DVBMOEAUGBOPQC-KBPBESRZSA-N 1 3 465.946 -1.291 20 0 JAADHO CC(C)c1nccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438144 1067331432 /nfs/dbraw/zinc/33/14/32/1067331432.db2.gz DVZHSCGTSFYWRC-HOTGVXAUSA-N 1 3 459.555 -1.129 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CCOC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438145 1067331254 /nfs/dbraw/zinc/33/12/54/1067331254.db2.gz DWUPMDCJPMGIOA-RDJZCZTQSA-N 1 3 473.538 -2.180 20 0 JAADHO COc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)c1 ZINC001163438152 1067331189 /nfs/dbraw/zinc/33/11/89/1067331189.db2.gz FDTHXJZOSADYOC-IRXDYDNUSA-N 1 3 460.539 -1.331 20 0 JAADHO CCSc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438159 1067331379 /nfs/dbraw/zinc/33/13/79/1067331379.db2.gz FFTPOYAFUALGJA-GJZGRUSLSA-N 1 3 477.595 -1.141 20 0 JAADHO CCc1cc(CC)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438162 1067331600 /nfs/dbraw/zinc/33/16/00/1067331600.db2.gz FLHGUPWQMHVWIZ-ROUUACIJSA-N 1 3 473.582 -1.128 20 0 JAADHO C[C@H]1CCc2nnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2C1 ZINC001163438288 1067331544 /nfs/dbraw/zinc/33/15/44/1067331544.db2.gz FXLYBRQKSAQMQO-FNHZYXHNSA-N 1 3 485.593 -1.128 20 0 JAADHO C[C@@H]1CCc2nnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2C1 ZINC001163438290 1067331326 /nfs/dbraw/zinc/33/13/26/1067331326.db2.gz FXLYBRQKSAQMQO-LJHODMEESA-N 1 3 485.593 -1.128 20 0 JAADHO COC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163438301 1067331401 /nfs/dbraw/zinc/33/14/01/1067331401.db2.gz ADOWOWNYMYQMDW-IRXDYDNUSA-N 1 3 488.549 -1.553 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438329 1067331980 /nfs/dbraw/zinc/33/19/80/1067331980.db2.gz GRALIDMYQZIGKN-RDJZCZTQSA-N 1 3 457.539 -1.764 20 0 JAADHO COc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c2ccccc21 ZINC001163438340 1067331955 /nfs/dbraw/zinc/33/19/55/1067331955.db2.gz GUEGGKOBWSQGMG-ROUUACIJSA-N 1 3 497.560 -1.091 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nncc3ccccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438343 1067331353 /nfs/dbraw/zinc/33/13/53/1067331353.db2.gz AUDZOFQWQMATBE-ROUUACIJSA-N 1 3 467.534 -1.099 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccccn3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438344 1067331900 /nfs/dbraw/zinc/33/19/00/1067331900.db2.gz GYJLZGWNEUHULG-LPHOPBHVSA-N 1 3 494.560 -1.191 20 0 JAADHO CC(C)(C)Oc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438355 1067332209 /nfs/dbraw/zinc/33/22/09/1067332209.db2.gz HBGSXUPTLQMPMI-HOTGVXAUSA-N 1 3 489.581 -1.075 20 0 JAADHO CCOC(=O)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438365 1067331863 /nfs/dbraw/zinc/33/18/63/1067331863.db2.gz BFKHAEQJVPPJMS-HOTGVXAUSA-N 1 3 489.537 -2.076 20 0 JAADHO COc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)ncc2c1 ZINC001163438367 1067332173 /nfs/dbraw/zinc/33/21/73/1067332173.db2.gz HIGFGBPQTAAKRS-HKUYNNGSSA-N 1 3 497.560 -1.091 20 0 JAADHO COc1ccc2c(c1)ncnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438371 1067331774 /nfs/dbraw/zinc/33/17/74/1067331774.db2.gz HMQKPTABHPPRHR-HKUYNNGSSA-N 1 3 497.560 -1.091 20 0 JAADHO Cn1ccc2c1ncnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438377 1067332044 /nfs/dbraw/zinc/33/20/44/1067332044.db2.gz BJALYOWMBNCSBP-HOTGVXAUSA-N 1 3 470.538 -1.761 20 0 JAADHO COCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438384 1067332237 /nfs/dbraw/zinc/33/22/37/1067332237.db2.gz BKRZERIZFANQOH-IRXDYDNUSA-N 1 3 475.554 -1.798 20 0 JAADHO CCN(CC)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438386 1067331834 /nfs/dbraw/zinc/33/18/34/1067331834.db2.gz HUWMVEWNONMLSX-IRXDYDNUSA-N 1 3 488.597 -1.406 20 0 JAADHO CC(C)Oc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438391 1067332028 /nfs/dbraw/zinc/33/20/28/1067332028.db2.gz IBBHSKRUJGIBNJ-HOTGVXAUSA-N 1 3 475.554 -1.465 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3c(n2)CCCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438400 1067331929 /nfs/dbraw/zinc/33/19/29/1067331929.db2.gz IHLCFGAXNMRDJZ-YJBOKZPZSA-N 1 3 471.566 -1.374 20 0 JAADHO CSc1nc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438430 1067332155 /nfs/dbraw/zinc/33/21/55/1067332155.db2.gz BPFSKHITNNTVQU-RYUDHWBXSA-N 1 3 499.001 -1.482 20 0 JAADHO COC(=O)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438462 1067332135 /nfs/dbraw/zinc/33/21/35/1067332135.db2.gz CCZKTDSYVNIGMJ-HOCLYGCPSA-N 1 3 474.522 -1.861 20 0 JAADHO CC(C)Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438463 1067331804 /nfs/dbraw/zinc/33/18/04/1067331804.db2.gz JHRQQOFCOOBKLN-ROUUACIJSA-N 1 3 473.582 -1.054 20 0 JAADHO C=C(OCC)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438468 1067332413 /nfs/dbraw/zinc/33/24/13/1067332413.db2.gz JKAFNVBMEUZHGJ-WMZOPIPTSA-N 1 3 487.565 -1.245 20 0 JAADHO CC(C)COc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438487 1067332886 /nfs/dbraw/zinc/33/28/86/1067332886.db2.gz JQWPNMUWFICSNH-IRXDYDNUSA-N 1 3 489.581 -1.218 20 0 JAADHO COc1cnc(SC)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438489 1067332582 /nfs/dbraw/zinc/33/25/82/1067332582.db2.gz CLGARBCZPYPDGU-KBPBESRZSA-N 1 3 493.594 -1.522 20 0 JAADHO CSc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438490 1067332607 /nfs/dbraw/zinc/33/26/07/1067332607.db2.gz JSDGYGIAVREMKE-GJZGRUSLSA-N 1 3 477.595 -1.222 20 0 JAADHO CCCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438493 1067332810 /nfs/dbraw/zinc/33/28/10/1067332810.db2.gz JTEDDODSRPYBRI-IRXDYDNUSA-N 1 3 459.555 -1.300 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccncc3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438497 1067332634 /nfs/dbraw/zinc/33/26/34/1067332634.db2.gz JUOBEJWCYLNSIN-HKUYNNGSSA-N 1 3 494.560 -1.191 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(-c3cccnc3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438500 1067332826 /nfs/dbraw/zinc/33/28/26/1067332826.db2.gz JXBBMUZGVIHGBK-ROUUACIJSA-N 1 3 494.560 -1.191 20 0 JAADHO CSc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438510 1067332740 /nfs/dbraw/zinc/33/27/40/1067332740.db2.gz CTMVDSIVJDNRKN-KBPBESRZSA-N 1 3 463.568 -1.531 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ncc2F)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438534 1067332510 /nfs/dbraw/zinc/33/25/10/1067332510.db2.gz DIBXEPWDUGCTQB-STQMWFEESA-N 1 3 469.909 -1.460 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3c2CCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438538 1067332859 /nfs/dbraw/zinc/33/28/59/1067332859.db2.gz DLHCXBZVWTVQIB-HOCLYGCPSA-N 1 3 491.984 -1.111 20 0 JAADHO CN(C)c1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438543 1067332482 /nfs/dbraw/zinc/33/24/82/1067332482.db2.gz DSFNOVILJOCMSM-GJZGRUSLSA-N 1 3 460.543 -2.187 20 0 JAADHO CCOC(=O)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438551 1067332762 /nfs/dbraw/zinc/33/27/62/1067332762.db2.gz FDMMRMHORKBCGB-RDJZCZTQSA-N 1 3 488.549 -1.471 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ncccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438559 1067333325 /nfs/dbraw/zinc/33/33/25/1067333325.db2.gz FLPXLPWJAZFPHV-WMZOPIPTSA-N 1 3 467.534 -1.099 20 0 JAADHO CN(C)C(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438562 1067333438 /nfs/dbraw/zinc/33/34/38/1067333438.db2.gz FQDSUDINAYHIGL-IRXDYDNUSA-N 1 3 487.565 -1.946 20 0 JAADHO COc1ncnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163438699 1067332718 /nfs/dbraw/zinc/33/27/18/1067332718.db2.gz KSPMUMAVXQRUOT-GJZGRUSLSA-N 1 3 461.527 -1.936 20 0 JAADHO CCCc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438704 1067333080 /nfs/dbraw/zinc/33/30/80/1067333080.db2.gz KVSXLLIZSIOUPB-RDJZCZTQSA-N 1 3 459.555 -1.300 20 0 JAADHO Cc1nc2c(c(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)n1)CCC2 ZINC001163438710 1067333127 /nfs/dbraw/zinc/33/31/27/1067333127.db2.gz LBUCRSHAMXZLPZ-WMZOPIPTSA-N 1 3 471.566 -1.455 20 0 JAADHO CCc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438719 1067333024 /nfs/dbraw/zinc/33/30/24/1067333024.db2.gz LGGPEBKOLSDOBM-HOTGVXAUSA-N 1 3 459.555 -1.382 20 0 JAADHO CSc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438723 1067333471 /nfs/dbraw/zinc/33/34/71/1067333471.db2.gz LIXOPZKLOKCWEZ-GJZGRUSLSA-N 1 3 463.568 -1.531 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ncsc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438725 1067333107 /nfs/dbraw/zinc/33/31/07/1067333107.db2.gz LLTDAWUOTALOIV-ZFWWWQNUSA-N 1 3 473.563 -1.038 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3ncsc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438726 1067332996 /nfs/dbraw/zinc/33/29/96/1067332996.db2.gz LMXLOXDWJMMMHG-STQMWFEESA-N 1 3 474.551 -1.643 20 0 JAADHO CCOC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438738 1067333053 /nfs/dbraw/zinc/33/30/53/1067333053.db2.gz GDNCLEYOWNHVCK-IRXDYDNUSA-N 1 3 488.549 -1.471 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccncc3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438744 1067333274 /nfs/dbraw/zinc/33/32/74/1067333274.db2.gz LRDNJBBDRBMHCP-HKUYNNGSSA-N 1 3 494.560 -1.191 20 0 JAADHO COCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438783 1067333195 /nfs/dbraw/zinc/33/31/95/1067333195.db2.gz GQBMBLVIYJBTJN-HOTGVXAUSA-N 1 3 461.527 -2.106 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cnccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438788 1067333416 /nfs/dbraw/zinc/33/34/16/1067333416.db2.gz GRYZWHUUFNYJKR-HOTGVXAUSA-N 1 3 468.522 -1.704 20 0 JAADHO COc1cc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438789 1067333161 /nfs/dbraw/zinc/33/31/61/1067333161.db2.gz MENMBVLHPBHPBE-HOTGVXAUSA-N 1 3 460.539 -1.331 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccccn3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438813 1067333492 /nfs/dbraw/zinc/33/34/92/1067333492.db2.gz MKVRHWOCDDUNBW-LPHOPBHVSA-N 1 3 494.560 -1.191 20 0 JAADHO CCc1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438819 1067333513 /nfs/dbraw/zinc/33/35/13/1067333513.db2.gz MLPLUSFMQRTJFR-GJZGRUSLSA-N 1 3 479.973 -1.037 20 0 JAADHO CCOC(=O)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438822 1067334111 /nfs/dbraw/zinc/33/41/11/1067334111.db2.gz MLQAQBBLZADGGD-GJZGRUSLSA-N 1 3 489.537 -2.076 20 0 JAADHO CC(C)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438838 1067333947 /nfs/dbraw/zinc/33/39/47/1067333947.db2.gz MSVRDVKUFHNJKE-IRXDYDNUSA-N 1 3 459.555 -1.129 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)cc2F)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438850 1067333757 /nfs/dbraw/zinc/33/37/57/1067333757.db2.gz MYHYJOOUKXIVTD-STQMWFEESA-N 1 3 469.909 -1.460 20 0 JAADHO COc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438856 1067333977 /nfs/dbraw/zinc/33/39/77/1067333977.db2.gz NFPZBCWTFHIYSY-GJZGRUSLSA-N 1 3 461.527 -1.936 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccccc3nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438857 1067333633 /nfs/dbraw/zinc/33/36/33/1067333633.db2.gz NGNXEBSSADTZGX-WMZOPIPTSA-N 1 3 467.534 -1.099 20 0 JAADHO CCOc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438872 1067333831 /nfs/dbraw/zinc/33/38/31/1067333831.db2.gz NZZMHZHDURFUBV-HOTGVXAUSA-N 1 3 460.539 -1.249 20 0 JAADHO Cc1nc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2n1C ZINC001163438874 1067334085 /nfs/dbraw/zinc/33/40/85/1067334085.db2.gz OAIOWYXWZPOHOP-RDJZCZTQSA-N 1 3 484.565 -1.452 20 0 JAADHO COCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438875 1067333784 /nfs/dbraw/zinc/33/37/84/1067333784.db2.gz HMHSQJACHFEERP-IRXDYDNUSA-N 1 3 460.539 -1.501 20 0 JAADHO COC(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438885 1067333871 /nfs/dbraw/zinc/33/38/71/1067333871.db2.gz HVJHVKZUDIZEJV-HOTGVXAUSA-N 1 3 474.522 -1.861 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc3ccccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438890 1067334057 /nfs/dbraw/zinc/33/40/57/1067334057.db2.gz OIPJZIVRYFAWAR-YOEHRIQHSA-N 1 3 468.522 -1.704 20 0 JAADHO Cn1cnc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438892 1067333681 /nfs/dbraw/zinc/33/36/81/1067333681.db2.gz HXUZSBKHQFTLCF-GJZGRUSLSA-N 1 3 470.538 -1.761 20 0 JAADHO CCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438896 1067333848 /nfs/dbraw/zinc/33/38/48/1067333848.db2.gz OLPUSJGRPZPVPN-IRXDYDNUSA-N 1 3 459.555 -1.382 20 0 JAADHO CC(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438898 1067334349 /nfs/dbraw/zinc/33/43/49/1067334349.db2.gz HYUQSDITVGAEOS-RDJZCZTQSA-N 1 3 459.555 -1.129 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cccnc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438917 1067334668 /nfs/dbraw/zinc/33/46/68/1067334668.db2.gz IPROASLKMVLEQF-IRXDYDNUSA-N 1 3 467.534 -1.099 20 0 JAADHO COc1nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc21 ZINC001163438923 1067334386 /nfs/dbraw/zinc/33/43/86/1067334386.db2.gz OZFLOLKXCMZBQG-WMZOPIPTSA-N 1 3 497.560 -1.091 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc(N3CCCC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438936 1067334624 /nfs/dbraw/zinc/33/46/24/1067334624.db2.gz JIWHGCBMHQXHTL-IRXDYDNUSA-N 1 3 486.581 -1.652 20 0 JAADHO COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163438938 1067334596 /nfs/dbraw/zinc/33/45/96/1067334596.db2.gz JJQFTBVWEXKHOD-IRXDYDNUSA-N 1 3 488.549 -1.553 20 0 JAADHO CCOC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438944 1067334292 /nfs/dbraw/zinc/33/42/92/1067334292.db2.gz JUTLOFMPSXZFQI-HOCLYGCPSA-N 1 3 489.537 -2.076 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncnc2Cl)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438948 1067334497 /nfs/dbraw/zinc/33/44/97/1067334497.db2.gz KFGPEMUKRDWSHL-STQMWFEESA-N 1 3 451.919 -1.599 20 0 JAADHO COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163438949 1067334331 /nfs/dbraw/zinc/33/43/31/1067334331.db2.gz KFYAOWUJZZLFBY-KBPBESRZSA-N 1 3 475.510 -2.466 20 0 JAADHO COc1ccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438950 1067334312 /nfs/dbraw/zinc/33/43/12/1067334312.db2.gz KHPWGISWECQQTA-HKUYNNGSSA-N 1 3 497.560 -1.091 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cccnc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163438956 1067334570 /nfs/dbraw/zinc/33/45/70/1067334570.db2.gz KQENHKHXPVABHN-HOCLYGCPSA-N 1 3 468.522 -1.704 20 0 JAADHO CN(C)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438958 1067334648 /nfs/dbraw/zinc/33/46/48/1067334648.db2.gz KSGVFQWPRSGGOM-GJZGRUSLSA-N 1 3 460.543 -2.187 20 0 JAADHO CCN(C)c1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438961 1067334447 /nfs/dbraw/zinc/33/44/47/1067334447.db2.gz KUECFKGZSGUARV-IRXDYDNUSA-N 1 3 488.597 -1.488 20 0 JAADHO COc1ncc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439118 1067334424 /nfs/dbraw/zinc/33/44/24/1067334424.db2.gz OZZXKSNEJNWLRI-KBPBESRZSA-N 1 3 481.945 -1.591 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3c(n2)CCCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439130 1067335039 /nfs/dbraw/zinc/33/50/39/1067335039.db2.gz PFIXCVIIXQFLFS-WMZOPIPTSA-N 1 3 471.566 -1.374 20 0 JAADHO CCOC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163439136 1067334861 /nfs/dbraw/zinc/33/48/61/1067334861.db2.gz PJTGYUAXAIZKTM-GJZGRUSLSA-N 1 3 489.537 -2.076 20 0 JAADHO COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1C ZINC001163439137 1067335204 /nfs/dbraw/zinc/33/52/04/1067335204.db2.gz PKOSVDMPFWTZSG-IRXDYDNUSA-N 1 3 488.549 -1.553 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(C3CC3)nn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439149 1067335288 /nfs/dbraw/zinc/33/52/88/1067335288.db2.gz PTPAYRZCVPACQI-RDJZCZTQSA-N 1 3 457.539 -1.375 20 0 JAADHO CCOc1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439154 1067335090 /nfs/dbraw/zinc/33/50/90/1067335090.db2.gz PUHXUTRCSIYICW-KBPBESRZSA-N 1 3 495.972 -1.201 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3cnccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439158 1067334882 /nfs/dbraw/zinc/33/48/82/1067334882.db2.gz PXGAWDDXBCUORP-ROUUACIJSA-N 1 3 467.534 -1.099 20 0 JAADHO CCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439179 1067334836 /nfs/dbraw/zinc/33/48/36/1067334836.db2.gz LBPPPKACAAHOOD-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO COC(=O)Cc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439182 1067335154 /nfs/dbraw/zinc/33/51/54/1067335154.db2.gz LGQSKWIOSHYVPL-IRXDYDNUSA-N 1 3 488.549 -1.932 20 0 JAADHO COc1ccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2c1 ZINC001163439201 1067335066 /nfs/dbraw/zinc/33/50/66/1067335066.db2.gz LNOFPWNQIGVADK-HKUYNNGSSA-N 1 3 497.560 -1.091 20 0 JAADHO CCCc1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439208 1067335246 /nfs/dbraw/zinc/33/52/46/1067335246.db2.gz LVWSMNOZGKWHOE-IRXDYDNUSA-N 1 3 459.555 -1.300 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3c2COC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439212 1067335123 /nfs/dbraw/zinc/33/51/23/1067335123.db2.gz MBDTWNXCCKKVSL-KBPBESRZSA-N 1 3 493.956 -1.569 20 0 JAADHO Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C2CC2)n1 ZINC001163439226 1067334910 /nfs/dbraw/zinc/33/49/10/1067334910.db2.gz QKWJCSVEBYOEDR-IRXDYDNUSA-N 1 3 471.566 -1.067 20 0 JAADHO CCOc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439246 1067335550 /nfs/dbraw/zinc/33/55/50/1067335550.db2.gz MDYVXGXGNDVPOG-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO CSc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439286 1067335722 /nfs/dbraw/zinc/33/57/22/1067335722.db2.gz RFDDEMLQUIHUSO-KBPBESRZSA-N 1 3 463.568 -1.531 20 0 JAADHO COc1cccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439295 1067335701 /nfs/dbraw/zinc/33/57/01/1067335701.db2.gz RIUWSNZPHFMGKH-IRXDYDNUSA-N 1 3 497.560 -1.091 20 0 JAADHO CSc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439297 1067335496 /nfs/dbraw/zinc/33/54/96/1067335496.db2.gz MTIPWSZUPPUPQC-KBPBESRZSA-N 1 3 463.568 -1.531 20 0 JAADHO COC(=O)c1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439299 1067335463 /nfs/dbraw/zinc/33/54/63/1067335463.db2.gz MTWFLDISRCXFSR-IRXDYDNUSA-N 1 3 488.549 -1.553 20 0 JAADHO CN(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439304 1067335578 /nfs/dbraw/zinc/33/55/78/1067335578.db2.gz MUUCBIYSHDWKGH-GJZGRUSLSA-N 1 3 460.543 -2.187 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(OCC3CC3)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439323 1067335870 /nfs/dbraw/zinc/33/58/70/1067335870.db2.gz ROQMAJKUFLUYMQ-IRXDYDNUSA-N 1 3 487.565 -1.464 20 0 JAADHO Cc1nc2ccoc2c(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439329 1067335845 /nfs/dbraw/zinc/33/58/45/1067335845.db2.gz NGZJGWCUYJOLRP-HOCLYGCPSA-N 1 3 471.522 -1.198 20 0 JAADHO CC(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439334 1067335661 /nfs/dbraw/zinc/33/56/61/1067335661.db2.gz RUFYSTCPTVINNV-RDJZCZTQSA-N 1 3 459.555 -1.129 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439338 1067335438 /nfs/dbraw/zinc/33/54/38/1067335438.db2.gz NJXYEANFBQJYAT-STQMWFEESA-N 1 3 451.919 -1.599 20 0 JAADHO COc1ccc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439353 1067335740 /nfs/dbraw/zinc/33/57/40/1067335740.db2.gz SBXFYAWQNRMUGO-HOTGVXAUSA-N 1 3 460.539 -1.331 20 0 JAADHO CCOc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439366 1067335822 /nfs/dbraw/zinc/33/58/22/1067335822.db2.gz SLAKMVFVZJNGSC-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO COc1nc2ccccc2nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439375 1067335800 /nfs/dbraw/zinc/33/58/00/1067335800.db2.gz NTZGTORELSLAGW-YJBOKZPZSA-N 1 3 497.560 -1.091 20 0 JAADHO CN(C)C(=O)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439384 1067335603 /nfs/dbraw/zinc/33/56/03/1067335603.db2.gz SPAHKMSIWJNWIF-GJZGRUSLSA-N 1 3 488.553 -2.551 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439386 1067335632 /nfs/dbraw/zinc/33/56/32/1067335632.db2.gz NUYKWKMRHQWKCQ-KBPBESRZSA-N 1 3 451.919 -1.599 20 0 JAADHO Cn1c(=O)ccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439393 1067336164 /nfs/dbraw/zinc/33/61/64/1067336164.db2.gz SRMAVFRJIBMBQV-IRXDYDNUSA-N 1 3 497.560 -1.796 20 0 JAADHO COC(=O)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439412 1067336180 /nfs/dbraw/zinc/33/61/80/1067336180.db2.gz UFZHAIMFLVONRS-GJZGRUSLSA-N 1 3 475.510 -2.466 20 0 JAADHO COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163439415 1067336259 /nfs/dbraw/zinc/33/62/59/1067336259.db2.gz UKNDLTHLBSGFSE-GJZGRUSLSA-N 1 3 461.527 -1.936 20 0 JAADHO CSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439439 1067336147 /nfs/dbraw/zinc/33/61/47/1067336147.db2.gz OTJASFCULAVKJR-KBPBESRZSA-N 1 3 463.568 -1.531 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3ccccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439440 1067336107 /nfs/dbraw/zinc/33/61/07/1067336107.db2.gz OTWCWOGLFWYALC-YJBOKZPZSA-N 1 3 467.534 -1.099 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc(Cl)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439441 1067336346 /nfs/dbraw/zinc/33/63/46/1067336346.db2.gz OUPBPPQWZZUKGA-QWRGUYRKSA-N 1 3 487.352 -1.551 20 0 JAADHO CN(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439444 1067336131 /nfs/dbraw/zinc/33/61/31/1067336131.db2.gz OXDXGUBYDILSNK-GJZGRUSLSA-N 1 3 460.543 -2.187 20 0 JAADHO CCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439446 1067336425 /nfs/dbraw/zinc/33/64/25/1067336425.db2.gz OZIYBSUEATZMRR-IRXDYDNUSA-N 1 3 460.539 -1.249 20 0 JAADHO COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439450 1067336288 /nfs/dbraw/zinc/33/62/88/1067336288.db2.gz PBVRWWNTXZIWKY-GJZGRUSLSA-N 1 3 475.510 -2.466 20 0 JAADHO COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439459 1067336064 /nfs/dbraw/zinc/33/60/64/1067336064.db2.gz PHAQWDIRVBBPTL-ZFWWWQNUSA-N 1 3 475.510 -2.466 20 0 JAADHO CCOc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439468 1067336225 /nfs/dbraw/zinc/33/62/25/1067336225.db2.gz PLDITLPMYAOEGT-KBPBESRZSA-N 1 3 495.972 -1.201 20 0 JAADHO COCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439513 1067336451 /nfs/dbraw/zinc/33/64/51/1067336451.db2.gz ULEKKOIYPQNDMU-IRXDYDNUSA-N 1 3 476.538 -1.665 20 0 JAADHO Cc1cnc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439522 1067336399 /nfs/dbraw/zinc/33/63/99/1067336399.db2.gz ULKDFPSZKIRLEI-RDJZCZTQSA-N 1 3 482.549 -1.396 20 0 JAADHO CC(C)Oc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439548 1067336498 /nfs/dbraw/zinc/33/64/98/1067336498.db2.gz UYENKOZJOMLYAH-HOTGVXAUSA-N 1 3 475.554 -1.465 20 0 JAADHO CCOc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439586 1067336206 /nfs/dbraw/zinc/33/62/06/1067336206.db2.gz PVGGSRYVOZBVKJ-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ncccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439590 1067336317 /nfs/dbraw/zinc/33/63/17/1067336317.db2.gz PYBDLWJTMOFHLE-HOTGVXAUSA-N 1 3 468.522 -1.704 20 0 JAADHO CSc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439593 1067337051 /nfs/dbraw/zinc/33/70/51/1067337051.db2.gz QAQLXTUCMVDGCA-GJZGRUSLSA-N 1 3 477.595 -1.222 20 0 JAADHO CCOC(=O)c1nccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439599 1067337076 /nfs/dbraw/zinc/33/70/76/1067337076.db2.gz WDYLNCLFMQWCHX-GJZGRUSLSA-N 1 3 489.537 -2.076 20 0 JAADHO CCOc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439614 1067337016 /nfs/dbraw/zinc/33/70/16/1067337016.db2.gz WRTYDIUHQYIZHU-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO COc1ccc2ncc(-n3cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2c1 ZINC001163439623 1067336950 /nfs/dbraw/zinc/33/69/50/1067336950.db2.gz WVBFJNLTHNRRCR-LPHOPBHVSA-N 1 3 497.560 -1.091 20 0 JAADHO COC(=O)c1ccc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439624 1067336759 /nfs/dbraw/zinc/33/67/59/1067336759.db2.gz QEXNMCUKJPETMW-IRXDYDNUSA-N 1 3 488.549 -1.553 20 0 JAADHO COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c(F)c1 ZINC001163439627 1067336644 /nfs/dbraw/zinc/33/66/44/1067336644.db2.gz QFQPHYGZYXILKO-HOTGVXAUSA-N 1 3 492.512 -1.722 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3cccnc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439630 1067336895 /nfs/dbraw/zinc/33/68/95/1067336895.db2.gz WZBNWAZVVBNGMO-HOTGVXAUSA-N 1 3 468.522 -1.704 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3ncccc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439637 1067336786 /nfs/dbraw/zinc/33/67/86/1067336786.db2.gz QKKCZWCWUMMNLB-YJBOKZPZSA-N 1 3 467.534 -1.099 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(C3CC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439652 1067337132 /nfs/dbraw/zinc/33/71/32/1067337132.db2.gz XOVQDCPTBZVQHB-HOTGVXAUSA-N 1 3 457.539 -1.375 20 0 JAADHO CCOC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439654 1067336965 /nfs/dbraw/zinc/33/69/65/1067336965.db2.gz QSEBNBFVTDFOJC-GJZGRUSLSA-N 1 3 489.537 -2.076 20 0 JAADHO COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439674 1067337038 /nfs/dbraw/zinc/33/70/38/1067337038.db2.gz RDRNCZAHLGJPML-KBPBESRZSA-N 1 3 475.510 -2.466 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(Cl)c[n+]2[O-])cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439682 1067336925 /nfs/dbraw/zinc/33/69/25/1067336925.db2.gz YDQYTPIVKLGSCA-GJZGRUSLSA-N 1 3 466.930 -1.756 20 0 JAADHO COC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439691 1067336869 /nfs/dbraw/zinc/33/68/69/1067336869.db2.gz RKAPQZMKPNFSQY-ZFWWWQNUSA-N 1 3 475.510 -2.466 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncc(N3CCCC3)n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439702 1067337558 /nfs/dbraw/zinc/33/75/58/1067337558.db2.gz YOGYATWIYPFTKP-IRXDYDNUSA-N 1 3 486.581 -1.652 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccnc2OC2CCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439705 1067337448 /nfs/dbraw/zinc/33/74/48/1067337448.db2.gz YRSCIGPTKVIYIT-IRXDYDNUSA-N 1 3 487.565 -1.321 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(F)c[n+]2[O-])cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439706 1067337605 /nfs/dbraw/zinc/33/76/05/1067337605.db2.gz RSDWUISVHYAYCI-GJZGRUSLSA-N 1 3 450.475 -2.270 20 0 JAADHO Cc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439712 1067337739 /nfs/dbraw/zinc/33/77/39/1067337739.db2.gz RSPIGRRDYQYXIN-KBPBESRZSA-N 1 3 465.946 -1.291 20 0 JAADHO CCOc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439714 1067337389 /nfs/dbraw/zinc/33/73/89/1067337389.db2.gz RSQVRLARFVYAMP-HOTGVXAUSA-N 1 3 461.527 -1.854 20 0 JAADHO COc1nc(Cl)nc(C)c1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439715 1067337578 /nfs/dbraw/zinc/33/75/78/1067337578.db2.gz YZIBHCUVDHLOJG-KBPBESRZSA-N 1 3 495.972 -1.282 20 0 JAADHO COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(SC)n1 ZINC001163439717 1067337312 /nfs/dbraw/zinc/33/73/12/1067337312.db2.gz ZAYOLHHIECXHPD-KBPBESRZSA-N 1 3 493.594 -1.522 20 0 JAADHO COc1cc(OC)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439719 1067337339 /nfs/dbraw/zinc/33/73/39/1067337339.db2.gz ZBXXSZDPSDWBKY-HOTGVXAUSA-N 1 3 476.538 -1.630 20 0 JAADHO Cc1nc(N(C)C)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439720 1067337714 /nfs/dbraw/zinc/33/77/14/1067337714.db2.gz RVCVFZFQFCAUDM-HOTGVXAUSA-N 1 3 474.570 -1.878 20 0 JAADHO COc1nc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439730 1067337531 /nfs/dbraw/zinc/33/75/31/1067337531.db2.gz ZHNRCRJZXVDSLC-HOTGVXAUSA-N 1 3 475.554 -1.627 20 0 JAADHO CS(=O)(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439731 1067337259 /nfs/dbraw/zinc/33/72/59/1067337259.db2.gz RWVKZCJPDDIWBV-GJZGRUSLSA-N 1 3 494.578 -2.244 20 0 JAADHO COc1cnnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439734 1067337650 /nfs/dbraw/zinc/33/76/50/1067337650.db2.gz ZMLQPCAJNDOVFU-STQMWFEESA-N 1 3 481.945 -1.591 20 0 JAADHO CCOc1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439739 1067337675 /nfs/dbraw/zinc/33/76/75/1067337675.db2.gz ZSDOXJCAMLTWGW-GJZGRUSLSA-N 1 3 461.527 -1.854 20 0 JAADHO CCN(CC)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439740 1067337505 /nfs/dbraw/zinc/33/75/05/1067337505.db2.gz ZSPAPSITWFEXAJ-IRXDYDNUSA-N 1 3 488.597 -1.406 20 0 JAADHO CCN(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439743 1067337626 /nfs/dbraw/zinc/33/76/26/1067337626.db2.gz SFWLIPIVEINPMF-HOTGVXAUSA-N 1 3 474.570 -1.797 20 0 JAADHO COC(=O)c1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439762 1067337942 /nfs/dbraw/zinc/33/79/42/1067337942.db2.gz TVKUCYPKROKODJ-KBPBESRZSA-N 1 3 475.510 -2.466 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccccc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439763 1067338231 /nfs/dbraw/zinc/33/82/31/1067338231.db2.gz TVPFZABSNOSVDH-WMZOPIPTSA-N 1 3 467.534 -1.099 20 0 JAADHO CN(C)c1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439769 1067338203 /nfs/dbraw/zinc/33/82/03/1067338203.db2.gz UBHBIBWCOALKQH-KBPBESRZSA-N 1 3 494.988 -1.533 20 0 JAADHO COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163439780 1067338177 /nfs/dbraw/zinc/33/81/77/1067338177.db2.gz UOEGQHMCIFIQGH-HOTGVXAUSA-N 1 3 492.512 -1.722 20 0 JAADHO CN(C)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439782 1067337865 /nfs/dbraw/zinc/33/78/65/1067337865.db2.gz UPCOGMXBPYRLPO-HOTGVXAUSA-N 1 3 459.555 -1.582 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(Cl)[n+]2[O-])cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439784 1067338058 /nfs/dbraw/zinc/33/80/58/1067338058.db2.gz USFOWBIBPRDXBB-KBPBESRZSA-N 1 3 466.930 -1.756 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc3ccnn32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439788 1067337885 /nfs/dbraw/zinc/33/78/85/1067337885.db2.gz VCUNDBYBTWZXSY-GJZGRUSLSA-N 1 3 456.511 -2.000 20 0 JAADHO COc1cccc2c1ncnc2-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439801 1067338075 /nfs/dbraw/zinc/33/80/75/1067338075.db2.gz VMINBLNDCSERDB-IRXDYDNUSA-N 1 3 497.560 -1.091 20 0 JAADHO COC(=O)c1cc(F)cnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439803 1067337965 /nfs/dbraw/zinc/33/79/65/1067337965.db2.gz VNBYRCUMICTDNS-HOTGVXAUSA-N 1 3 492.512 -1.722 20 0 JAADHO COc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439804 1067337988 /nfs/dbraw/zinc/33/79/88/1067337988.db2.gz VNIFDQIRAGZNAO-STQMWFEESA-N 1 3 481.945 -1.591 20 0 JAADHO Cc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439806 1067338011 /nfs/dbraw/zinc/33/80/11/1067338011.db2.gz VQGWQKWOHMNPQT-KBPBESRZSA-N 1 3 465.946 -1.291 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3cccnc3n2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439811 1067338289 /nfs/dbraw/zinc/33/82/89/1067338289.db2.gz VVVCYYWQPQOANG-HOCLYGCPSA-N 1 3 468.522 -1.704 20 0 JAADHO CC(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439813 1067337835 /nfs/dbraw/zinc/33/78/35/1067337835.db2.gz VZPKQUPYYLWHHB-RDJZCZTQSA-N 1 3 459.555 -1.129 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ncn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439816 1067338154 /nfs/dbraw/zinc/33/81/54/1067338154.db2.gz WCVGKGHMINRLDL-STQMWFEESA-N 1 3 451.919 -1.599 20 0 JAADHO CCOc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439829 1067338260 /nfs/dbraw/zinc/33/82/60/1067338260.db2.gz WNPJNBBFMFOJAO-HOTGVXAUSA-N 1 3 460.539 -1.249 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccsc32)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439835 1067337913 /nfs/dbraw/zinc/33/79/13/1067337913.db2.gz WZGICUIHXYJZJS-ZFWWWQNUSA-N 1 3 473.563 -1.038 20 0 JAADHO Cc1nnc(Cl)cc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439840 1067338697 /nfs/dbraw/zinc/33/86/97/1067338697.db2.gz XFKFPJNJKHKYAI-KBPBESRZSA-N 1 3 465.946 -1.291 20 0 JAADHO COc1cnc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439843 1067338837 /nfs/dbraw/zinc/33/88/37/1067338837.db2.gz XIISRZOHJDYYKZ-STQMWFEESA-N 1 3 481.945 -1.591 20 0 JAADHO CCOC(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439853 1067338741 /nfs/dbraw/zinc/33/87/41/1067338741.db2.gz XXVPKPLZOGMFCP-IRXDYDNUSA-N 1 3 488.549 -1.471 20 0 JAADHO CCOC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439864 1067338531 /nfs/dbraw/zinc/33/85/31/1067338531.db2.gz YIQJZZPGYBZASE-IRXDYDNUSA-N 1 3 488.549 -1.471 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3c(n2)CCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439870 1067338512 /nfs/dbraw/zinc/33/85/12/1067338512.db2.gz YWHMBBUGDLKWDO-WMZOPIPTSA-N 1 3 456.551 -1.159 20 0 JAADHO COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439875 1067338651 /nfs/dbraw/zinc/33/86/51/1067338651.db2.gz ZHXRDLFLJDGOOA-HOTGVXAUSA-N 1 3 474.522 -1.861 20 0 JAADHO COc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439882 1067338617 /nfs/dbraw/zinc/33/86/17/1067338617.db2.gz ZPBQBOMPFANBAA-GJZGRUSLSA-N 1 3 461.527 -1.936 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3c2CCC3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001163439885 1067338766 /nfs/dbraw/zinc/33/87/66/1067338766.db2.gz ZQAVERLBDVFGBX-RDJZCZTQSA-N 1 3 457.539 -1.764 20 0 JAADHO CCOC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369391 1067107344 /nfs/dbraw/zinc/10/73/44/1067107344.db2.gz WZQZGTYMRBHTQH-OWSLCNJRSA-N 1 3 495.581 -1.749 20 0 JAADHO CCOC(=O)[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369392 1067107482 /nfs/dbraw/zinc/10/74/82/1067107482.db2.gz WZQZGTYMRBHTQH-VSZNYVQBSA-N 1 3 495.581 -1.749 20 0 JAADHO CCOC(=O)[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369393 1067107974 /nfs/dbraw/zinc/10/79/74/1067107974.db2.gz WZQZGTYMRBHTQH-XLAORIBOSA-N 1 3 495.581 -1.749 20 0 JAADHO CCOC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369394 1067108012 /nfs/dbraw/zinc/10/80/12/1067108012.db2.gz WZQZGTYMRBHTQH-XSLAGTTESA-N 1 3 495.581 -1.749 20 0 JAADHO CCN(CC)C(=O)C[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169456279 1067108450 /nfs/dbraw/zinc/10/84/50/1067108450.db2.gz IKASEKUIFCQFDE-NJAFHUGGSA-N 1 3 480.614 -1.212 20 0 JAADHO CCN(CC)C(=O)C[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169456281 1067108356 /nfs/dbraw/zinc/10/83/56/1067108356.db2.gz IKASEKUIFCQFDE-SZMVWBNQSA-N 1 3 480.614 -1.212 20 0 JAADHO CC(=O)N1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169535980 1067108540 /nfs/dbraw/zinc/10/85/40/1067108540.db2.gz ZYKLZALHRQXIAX-IKGGRYGDSA-N 1 3 450.544 -2.239 20 0 JAADHO CC(=O)N1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169535981 1067108169 /nfs/dbraw/zinc/10/81/69/1067108169.db2.gz ZYKLZALHRQXIAX-ULQDDVLXSA-N 1 3 450.544 -2.239 20 0 JAADHO CC(=O)N1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169596006 1067108528 /nfs/dbraw/zinc/10/85/28/1067108528.db2.gz BYZLTBJNAJXTGQ-BZSNNMDCSA-N 1 3 464.571 -1.848 20 0 JAADHO CC(=O)N1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169596019 1067108320 /nfs/dbraw/zinc/10/83/20/1067108320.db2.gz BYZLTBJNAJXTGQ-SQNIBIBYSA-N 1 3 464.571 -1.848 20 0 JAADHO CS(=O)(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001169870897 1067109552 /nfs/dbraw/zinc/10/95/52/1067109552.db2.gz NUFOXHTXHZWANR-FOIPXRHGSA-N 1 3 499.638 -1.504 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCC3(C2)OCCO3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001169937560 1067109353 /nfs/dbraw/zinc/10/93/53/1067109353.db2.gz WHMCGPKZQOZWTJ-BZSNNMDCSA-N 1 3 479.582 -1.174 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCC3(C2)OCCO3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001169937562 1067109268 /nfs/dbraw/zinc/10/92/68/1067109268.db2.gz WHMCGPKZQOZWTJ-SQNIBIBYSA-N 1 3 479.582 -1.174 20 0 JAADHO COC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170540922 1067113365 /nfs/dbraw/zinc/11/33/65/1067113365.db2.gz WHVYFEDFFZAACW-IWCQGFGOSA-N 1 3 465.555 -1.518 20 0 JAADHO COC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170540923 1067113266 /nfs/dbraw/zinc/11/32/66/1067113266.db2.gz WHVYFEDFFZAACW-SIXLDLHFSA-N 1 3 465.555 -1.518 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN(C3CC3)C(=O)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172009157 1067145488 /nfs/dbraw/zinc/14/54/88/1067145488.db2.gz ZRHLKECLJPHNPQ-BZSNNMDCSA-N 1 3 476.582 -1.706 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN(C3CC3)C(=O)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172009158 1067146566 /nfs/dbraw/zinc/14/65/66/1067146566.db2.gz ZRHLKECLJPHNPQ-SQNIBIBYSA-N 1 3 476.582 -1.706 20 0 JAADHO CCN1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1=O ZINC001172043881 1067146394 /nfs/dbraw/zinc/14/63/94/1067146394.db2.gz SEXGRPKUWFTRIJ-IKGGRYGDSA-N 1 3 464.571 -1.848 20 0 JAADHO CCN1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1=O ZINC001172043882 1067146339 /nfs/dbraw/zinc/14/63/39/1067146339.db2.gz SEXGRPKUWFTRIJ-ULQDDVLXSA-N 1 3 464.571 -1.848 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN3C(=O)CC[C@@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172165991 1067146400 /nfs/dbraw/zinc/14/64/00/1067146400.db2.gz LGNAHRJLBZBQCD-BDXSIMOUSA-N 1 3 476.582 -1.706 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN3C(=O)CC[C@@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172165992 1067146533 /nfs/dbraw/zinc/14/65/33/1067146533.db2.gz LGNAHRJLBZBQCD-MHORFTMASA-N 1 3 476.582 -1.706 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN3C(=O)CC[C@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172165993 1067146389 /nfs/dbraw/zinc/14/63/89/1067146389.db2.gz LGNAHRJLBZBQCD-OWSLCNJRSA-N 1 3 476.582 -1.706 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN3C(=O)CC[C@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001172165994 1067146362 /nfs/dbraw/zinc/14/63/62/1067146362.db2.gz LGNAHRJLBZBQCD-XSLAGTTESA-N 1 3 476.582 -1.706 20 0 JAADHO COC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611413 1067146323 /nfs/dbraw/zinc/14/63/23/1067146323.db2.gz NUDMANIFKLSDNN-BGTYHANMSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611419 1067146312 /nfs/dbraw/zinc/14/63/12/1067146312.db2.gz NUDMANIFKLSDNN-DKIMLUQUSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611420 1067146509 /nfs/dbraw/zinc/14/65/09/1067146509.db2.gz NUDMANIFKLSDNN-RANZSIQMSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611422 1067146344 /nfs/dbraw/zinc/14/63/44/1067146344.db2.gz NUDMANIFKLSDNN-UBDQQSCGSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)N1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172737011 1067146445 /nfs/dbraw/zinc/14/64/45/1067146445.db2.gz WYNISCGQFVXPCY-IRXDYDNUSA-N 1 3 480.570 -1.629 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CCN(C)CC1)C(N)=O ZINC001182037134 1067176229 /nfs/dbraw/zinc/17/62/29/1067176229.db2.gz WHIYOAZXVQBSPJ-BZSNNMDCSA-N 1 3 482.626 -1.326 20 0 JAADHO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001183575017 1067188701 /nfs/dbraw/zinc/18/87/01/1067188701.db2.gz ZHKHSVGYPNTALK-ZHEQBIBESA-N 1 3 469.502 -1.085 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001187524820 1067215495 /nfs/dbraw/zinc/21/54/95/1067215495.db2.gz WSRNLHSDNRPPPW-GFODJXLSSA-N 1 3 457.572 -1.323 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001187524821 1067215576 /nfs/dbraw/zinc/21/55/76/1067215576.db2.gz WSRNLHSDNRPPPW-RHWCJKNGSA-N 1 3 457.572 -1.323 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001187524822 1067215729 /nfs/dbraw/zinc/21/57/29/1067215729.db2.gz WSRNLHSDNRPPPW-VLLQHRMFSA-N 1 3 457.572 -1.323 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001187524823 1067215555 /nfs/dbraw/zinc/21/55/55/1067215555.db2.gz WSRNLHSDNRPPPW-WUJJPXPXSA-N 1 3 457.572 -1.323 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@H](O)OC(C)(C)C)C1 ZINC001189439212 1067219745 /nfs/dbraw/zinc/21/97/45/1067219745.db2.gz AVRQEYVLCKKEKP-UXJWJQKUSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@H](O)OC(C)(C)C)C1 ZINC001189439213 1067219882 /nfs/dbraw/zinc/21/98/82/1067219882.db2.gz AVRQEYVLCKKEKP-WNFKFRIASA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H](O)OC(C)(C)C)C1 ZINC001189439214 1067219899 /nfs/dbraw/zinc/21/98/99/1067219899.db2.gz AVRQEYVLCKKEKP-XBBGLNTFSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H](O)OC(C)(C)C)C1 ZINC001189439215 1067219701 /nfs/dbraw/zinc/21/97/01/1067219701.db2.gz AVRQEYVLCKKEKP-YBLKDPSYSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001195545775 1067232087 /nfs/dbraw/zinc/23/20/87/1067232087.db2.gz WVYNNZXFHZCEFH-CYIYBZSJSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001195545776 1067231970 /nfs/dbraw/zinc/23/19/70/1067231970.db2.gz WVYNNZXFHZCEFH-GWDMKLBJSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001195545778 1067231994 /nfs/dbraw/zinc/23/19/94/1067231994.db2.gz WVYNNZXFHZCEFH-LHPOMGHCSA-N 1 3 455.556 -1.007 20 0 JAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001195545779 1067232234 /nfs/dbraw/zinc/23/22/34/1067232234.db2.gz WVYNNZXFHZCEFH-NABCJPNMSA-N 1 3 455.556 -1.007 20 0 JAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770627 1067344526 /nfs/dbraw/zinc/34/45/26/1067344526.db2.gz JZCXAGAPFSRTJH-HOTGVXAUSA-N 1 3 462.555 -1.094 20 0 JAADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)COC1(C)C ZINC001218785668 1067344853 /nfs/dbraw/zinc/34/48/53/1067344853.db2.gz UEMFYKWZFDYCER-CYDGBPFRSA-N 1 3 455.947 -1.059 20 0 JAADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)COC1(C)C ZINC001218785669 1067345206 /nfs/dbraw/zinc/34/52/06/1067345206.db2.gz UEMFYKWZFDYCER-QNWHQSFQSA-N 1 3 455.947 -1.059 20 0 JAADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)COC1(C)C ZINC001218785670 1067345131 /nfs/dbraw/zinc/34/51/31/1067345131.db2.gz UEMFYKWZFDYCER-RNJOBUHISA-N 1 3 455.947 -1.059 20 0 JAADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)COC1(C)C ZINC001218785671 1067344901 /nfs/dbraw/zinc/34/49/01/1067344901.db2.gz UEMFYKWZFDYCER-ZDEQEGDKSA-N 1 3 455.947 -1.059 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C(=O)CF ZINC001219765989 1067348308 /nfs/dbraw/zinc/34/83/08/1067348308.db2.gz KJIJMOIZGQRSLF-SPCJURDBSA-N 1 3 456.563 -1.702 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C(=O)CF ZINC001219800940 1067348469 /nfs/dbraw/zinc/34/84/69/1067348469.db2.gz PELMOBVDCFCQGV-KRXQYRFLSA-N 1 3 457.547 -1.227 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCOC12C[NH2+]C2)C(=O)CF ZINC001219800941 1067348044 /nfs/dbraw/zinc/34/80/44/1067348044.db2.gz PELMOBVDCFCQGV-XSWJXKHESA-N 1 3 457.547 -1.227 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(=O)CF ZINC001219838592 1067348616 /nfs/dbraw/zinc/34/86/16/1067348616.db2.gz SCQYIOBOEJAHQY-CWJANSQVSA-N 1 3 487.573 -1.601 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(=O)CF ZINC001219838593 1067348873 /nfs/dbraw/zinc/34/88/73/1067348873.db2.gz SCQYIOBOEJAHQY-DXRNAMPVSA-N 1 3 487.573 -1.601 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(=O)CF ZINC001219838594 1067348828 /nfs/dbraw/zinc/34/88/28/1067348828.db2.gz SCQYIOBOEJAHQY-GRLJWQFSSA-N 1 3 487.573 -1.601 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(=O)CF ZINC001219838595 1067348676 /nfs/dbraw/zinc/34/86/76/1067348676.db2.gz SCQYIOBOEJAHQY-MYVMSIQCSA-N 1 3 487.573 -1.601 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C(=O)CF ZINC001219851982 1067348791 /nfs/dbraw/zinc/34/87/91/1067348791.db2.gz JBZSARXFKDSDPV-KDWNQABDSA-N 1 3 457.547 -1.371 20 0 JAADHO COC(=O)C1(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC[NH2+]CC1 ZINC001220001154 1067349459 /nfs/dbraw/zinc/34/94/59/1067349459.db2.gz JFNVNTAJICIFDF-XEZPLFJOSA-N 1 3 459.519 -1.701 20 0 JAADHO CCC[C@H](N)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220122813 1067351219 /nfs/dbraw/zinc/35/12/19/1067351219.db2.gz NOSNXIWMARCPPE-AVGNSLFASA-N 1 3 453.500 -1.196 20 0 JAADHO CCC[C@H](N)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220122814 1067351166 /nfs/dbraw/zinc/35/11/66/1067351166.db2.gz NOSNXIWMARCPPE-RWMBFGLXSA-N 1 3 453.500 -1.196 20 0 JAADHO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C(C)C)c(N)nc2=O ZINC001220123062 1067351910 /nfs/dbraw/zinc/35/19/10/1067351910.db2.gz UPDVMOABPFHDNM-AVGNSLFASA-N 1 3 453.500 -1.340 20 0 JAADHO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C(C)C)c(N)nc2=O ZINC001220123063 1067351742 /nfs/dbraw/zinc/35/17/42/1067351742.db2.gz UPDVMOABPFHDNM-RWMBFGLXSA-N 1 3 453.500 -1.340 20 0 JAADHO CC(C)[C@@H]([NH3+])C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001220123064 1067351638 /nfs/dbraw/zinc/35/16/38/1067351638.db2.gz UPDVMOABPFHDNM-XQQFMLRXSA-N 1 3 453.500 -1.340 20 0 JAADHO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]([NH3+])C(C)C)c(N)nc2=O ZINC001220123065 1067352010 /nfs/dbraw/zinc/35/20/10/1067352010.db2.gz UPDVMOABPFHDNM-YNEHKIRRSA-N 1 3 453.500 -1.340 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCC[N@@H+](C)CC1)C(=O)CF ZINC001220307191 1067353190 /nfs/dbraw/zinc/35/31/90/1067353190.db2.gz UDHOEQFZIRVSAA-BXWFABGCSA-N 1 3 458.579 -1.358 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCC[N@H+](C)CC1)C(=O)CF ZINC001220307191 1067353182 /nfs/dbraw/zinc/35/31/82/1067353182.db2.gz UDHOEQFZIRVSAA-BXWFABGCSA-N 1 3 458.579 -1.358 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ncn2c1C[NH2+]CCC2)C(=O)CF ZINC001220310928 1067352914 /nfs/dbraw/zinc/35/29/14/1067352914.db2.gz HWLWPUVGMDIBEA-NJSLBKSFSA-N 1 3 467.546 -1.106 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(=O)CF ZINC001220320111 1067352974 /nfs/dbraw/zinc/35/29/74/1067352974.db2.gz LHXXPTLEWNTBEB-HIIHGLIOSA-N 1 3 457.547 -1.085 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C(=O)CF ZINC001220320112 1067353091 /nfs/dbraw/zinc/35/30/91/1067353091.db2.gz LHXXPTLEWNTBEB-MRFJQFOUSA-N 1 3 457.547 -1.085 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C(=O)CF ZINC001220320113 1067353253 /nfs/dbraw/zinc/35/32/53/1067353253.db2.gz LHXXPTLEWNTBEB-YPDSAKSWSA-N 1 3 457.547 -1.085 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(=O)CF ZINC001220320114 1067353327 /nfs/dbraw/zinc/35/33/27/1067353327.db2.gz LHXXPTLEWNTBEB-ZLFLNXGQSA-N 1 3 457.547 -1.085 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+])C(=O)CF ZINC001220481439 1067353985 /nfs/dbraw/zinc/35/39/85/1067353985.db2.gz HGUPMWSAZKZFQR-JIPTXQKDSA-N 1 3 475.562 -1.271 20 0 JAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+])C(=O)CF ZINC001220481440 1067353893 /nfs/dbraw/zinc/35/38/93/1067353893.db2.gz HGUPMWSAZKZFQR-QIAZTIMGSA-N 1 3 475.562 -1.271 20 0 JAADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519520 1067354508 /nfs/dbraw/zinc/35/45/08/1067354508.db2.gz QTBNGKOKSQSQMV-ICSRJNTNSA-N 1 3 451.568 -1.079 20 0 JAADHO CCOC(=O)C1=C(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC[NH2+]C1 ZINC001220523855 1067354679 /nfs/dbraw/zinc/35/46/79/1067354679.db2.gz UKXNUYAQTABWCJ-QITLCBANSA-N 1 3 471.530 -1.185 20 0 JAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748441 1067354881 /nfs/dbraw/zinc/35/48/81/1067354881.db2.gz JRWAQUFTKSNBDJ-UWVGGRQHSA-N 1 3 470.512 -2.528 20 0 JAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)C(N)=O ZINC001220749077 1067355069 /nfs/dbraw/zinc/35/50/69/1067355069.db2.gz PEJOGYRUAICKBG-WDEREUQCSA-N 1 3 484.539 -2.138 20 0 JAADHO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220765875 1067355427 /nfs/dbraw/zinc/35/54/27/1067355427.db2.gz HASIYGNSAGASIB-FEBARNBZSA-N 1 3 475.502 -1.076 20 0 JAADHO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001220765876 1067355837 /nfs/dbraw/zinc/35/58/37/1067355837.db2.gz HASIYGNSAGASIB-MIGDXVIRSA-N 1 3 475.502 -1.076 20 0 JAADHO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001220766117 1067356200 /nfs/dbraw/zinc/35/62/00/1067356200.db2.gz LTDAAFUFZGMJNJ-PJDYVGSDSA-N 1 3 499.524 -1.334 20 0 JAADHO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001220766118 1067355793 /nfs/dbraw/zinc/35/57/93/1067355793.db2.gz LTDAAFUFZGMJNJ-ZZDIOYDHSA-N 1 3 499.524 -1.334 20 0 JAADHO CCOC(=O)C1=C(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[NH2+]C1 ZINC001220829078 1067356937 /nfs/dbraw/zinc/35/69/37/1067356937.db2.gz XCMMHDDAKGPTQV-BNLOLNQZSA-N 1 3 457.503 -1.576 20 0 JAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966974 1067357662 /nfs/dbraw/zinc/35/76/62/1067357662.db2.gz NEQWLAQILAUVBS-SMLCLMEVSA-N 1 3 466.539 -1.531 20 0 JAADHO COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)S(=O)(=O)c1ccc(C)cc1 ZINC001221086965 1067358071 /nfs/dbraw/zinc/35/80/71/1067358071.db2.gz NLELUGRWWNMTPM-XIRDDKMYSA-N 1 3 499.590 -1.110 20 0 JAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221348695 1067361872 /nfs/dbraw/zinc/36/18/72/1067361872.db2.gz NDEDUKXQJWYBOC-XSLAGTTESA-N 1 3 476.582 -1.639 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC2(CNC2)O1)C(N)=O ZINC001221351079 1067362661 /nfs/dbraw/zinc/36/26/61/1067362661.db2.gz DBRRHANWCRUHOO-FJIDUMEYSA-N 1 3 480.610 -1.262 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC2(CNC2)O1)C(N)=O ZINC001221351083 1067362640 /nfs/dbraw/zinc/36/26/40/1067362640.db2.gz DBRRHANWCRUHOO-XSLAGTTESA-N 1 3 480.610 -1.262 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCCN1C)C(N)=O ZINC001221351232 1067362688 /nfs/dbraw/zinc/36/26/88/1067362688.db2.gz DVYRFFIQXMAUNM-FJIDUMEYSA-N 1 3 467.615 -1.879 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNCCN1C)C(N)=O ZINC001221351233 1067362283 /nfs/dbraw/zinc/36/22/83/1067362283.db2.gz DVYRFFIQXMAUNM-XSLAGTTESA-N 1 3 467.615 -1.879 20 0 JAADHO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCOCC1)C(N)=O ZINC001221351344 1067362312 /nfs/dbraw/zinc/36/23/12/1067362312.db2.gz FVFNVOHBJUORMQ-VJANTYMQSA-N 1 3 482.626 -1.029 20 0 JAADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352104 1067363781 /nfs/dbraw/zinc/36/37/81/1067363781.db2.gz PIUWYMCLMQXOJY-CVYDXHPNSA-N 1 3 484.598 -1.502 20 0 JAADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352105 1067363551 /nfs/dbraw/zinc/36/35/51/1067363551.db2.gz PIUWYMCLMQXOJY-OVWQWFNUSA-N 1 3 484.598 -1.502 20 0 JAADHO COC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349207 1067372414 /nfs/dbraw/zinc/37/24/14/1067372414.db2.gz XDUJSPHHSFOFPW-MOPGFXCFSA-N 1 3 451.561 -1.462 20 0 JAADHO COC(=O)[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349213 1067372292 /nfs/dbraw/zinc/37/22/92/1067372292.db2.gz XDUJSPHHSFOFPW-OALUTQOASA-N 1 3 451.561 -1.462 20 0 JAADHO COC(=O)[C@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349216 1067372061 /nfs/dbraw/zinc/37/20/61/1067372061.db2.gz XDUJSPHHSFOFPW-RBUKOAKNSA-N 1 3 451.561 -1.462 20 0 JAADHO COC(=O)[C@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349217 1067372239 /nfs/dbraw/zinc/37/22/39/1067372239.db2.gz XDUJSPHHSFOFPW-RTBURBONSA-N 1 3 451.561 -1.462 20 0 JAADHO COC(=O)[C@@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484337 1067372694 /nfs/dbraw/zinc/37/26/94/1067372694.db2.gz FXDVAZFBKUWWSF-BCYZHJNNSA-N 1 3 482.626 -1.016 20 0 JAADHO COC(=O)[C@@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484346 1067372875 /nfs/dbraw/zinc/37/28/75/1067372875.db2.gz FXDVAZFBKUWWSF-VMXHOPILSA-N 1 3 482.626 -1.016 20 0 JAADHO COC(=O)[C@@H]1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484952 1067372785 /nfs/dbraw/zinc/37/27/85/1067372785.db2.gz JXQXOMSDWPISTJ-BCYZHJNNSA-N 1 3 482.626 -1.016 20 0 JAADHO COC(=O)[C@@H]1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484954 1067372631 /nfs/dbraw/zinc/37/26/31/1067372631.db2.gz JXQXOMSDWPISTJ-VMXHOPILSA-N 1 3 482.626 -1.016 20 0 JAADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(S(C)(=O)=O)CC1)NC(=O)[C@@H](N)CC(C)C ZINC001246515817 1067374554 /nfs/dbraw/zinc/37/45/54/1067374554.db2.gz SMCGIBQNGRBDSE-HOTGVXAUSA-N 1 3 461.633 -1.091 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCS(=O)(=O)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254327692 1067380672 /nfs/dbraw/zinc/38/06/72/1067380672.db2.gz LIZCAVIUUDXVGA-ILXRZTDVSA-N 1 3 457.557 -2.672 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCS(=O)(=O)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254327696 1067380589 /nfs/dbraw/zinc/38/05/89/1067380589.db2.gz LIZCAVIUUDXVGA-KKUMJFAQSA-N 1 3 457.557 -2.672 20 0 JAADHO CC(=O)N1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001254421955 1067380197 /nfs/dbraw/zinc/38/01/97/1067380197.db2.gz ADMQRHZZFJGHEM-ROUUACIJSA-N 1 3 464.571 -1.848 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254943788 1067380887 /nfs/dbraw/zinc/38/08/87/1067380887.db2.gz NKNLAQROWSMIKC-FVUVGQSESA-N 1 3 461.567 -1.102 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@H]3CC(=O)C[C@@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254943798 1067380980 /nfs/dbraw/zinc/38/09/80/1067380980.db2.gz NKNLAQROWSMIKC-LSOMNZGLSA-N 1 3 461.567 -1.102 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@@H]3CC(=O)C[C@H]3C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001254943803 1067380911 /nfs/dbraw/zinc/38/09/11/1067380911.db2.gz NKNLAQROWSMIKC-QZCPTFHJSA-N 1 3 461.567 -1.102 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCC3(CC2)OCCO3)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001255620851 1067381940 /nfs/dbraw/zinc/38/19/40/1067381940.db2.gz XJVRVRZIOGAIED-ROUUACIJSA-N 1 3 479.582 -1.174 20 0 JAADHO CCOC(=O)N1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001256026407 1067381919 /nfs/dbraw/zinc/38/19/19/1067381919.db2.gz CVACVHPOJLRIEN-IKGGRYGDSA-N 1 3 480.570 -1.629 20 0 JAADHO CCOC(=O)N1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001256026408 1067382222 /nfs/dbraw/zinc/38/22/22/1067382222.db2.gz CVACVHPOJLRIEN-ULQDDVLXSA-N 1 3 480.570 -1.629 20 0 JAADHO CCOC(=O)N1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256237574 1067382175 /nfs/dbraw/zinc/38/21/75/1067382175.db2.gz JDESXOLENDDHCM-ROUUACIJSA-N 1 3 494.597 -1.238 20 0 JAADHO C[C@H](CC(=O)N1CCOCC1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256335326 1067382434 /nfs/dbraw/zinc/38/24/34/1067382434.db2.gz OUCNIILQKRMRQB-NJAFHUGGSA-N 1 3 494.597 -2.222 20 0 JAADHO C[C@@H](CC(=O)N1CCOCC1)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256335329 1067382469 /nfs/dbraw/zinc/38/24/69/1067382469.db2.gz OUCNIILQKRMRQB-SZMVWBNQSA-N 1 3 494.597 -2.222 20 0 JAADHO NC(=O)CNC(=O)[C@H](Cc1cn(C2CCS(=O)(=O)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001256385255 1067382613 /nfs/dbraw/zinc/38/26/13/1067382613.db2.gz QAPPSNAIFXQLHJ-HOTGVXAUSA-N 1 3 471.584 -2.282 20 0 JAADHO CCOC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045798 1067382952 /nfs/dbraw/zinc/38/29/52/1067382952.db2.gz DSRQYMKZVXXUEJ-BGTYHANMSA-N 1 3 479.582 -1.128 20 0 JAADHO CCOC(=O)[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045799 1067382842 /nfs/dbraw/zinc/38/28/42/1067382842.db2.gz DSRQYMKZVXXUEJ-DKIMLUQUSA-N 1 3 479.582 -1.128 20 0 JAADHO CCOC(=O)[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045800 1067383093 /nfs/dbraw/zinc/38/30/93/1067383093.db2.gz DSRQYMKZVXXUEJ-RANZSIQMSA-N 1 3 479.582 -1.128 20 0 JAADHO CCOC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045801 1067382878 /nfs/dbraw/zinc/38/28/78/1067382878.db2.gz DSRQYMKZVXXUEJ-UBDQQSCGSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001257860315 1067383570 /nfs/dbraw/zinc/38/35/70/1067383570.db2.gz IUTZTISVGNSCIR-KXIUCKCTSA-N 1 3 479.582 -1.128 20 0 JAADHO COC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258364124 1067384072 /nfs/dbraw/zinc/38/40/72/1067384072.db2.gz NAAQCXHFQODFCR-BPUTZDHNSA-N 1 3 453.544 -1.518 20 0 JAADHO COC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258364125 1067383741 /nfs/dbraw/zinc/38/37/41/1067383741.db2.gz NAAQCXHFQODFCR-KBMXLJTQSA-N 1 3 453.544 -1.518 20 0 JAADHO CCOC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258486923 1067383961 /nfs/dbraw/zinc/38/39/61/1067383961.db2.gz MRUCQRZMAONLOD-PVAVHDDUSA-N 1 3 467.571 -1.128 20 0 JAADHO CCOC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258486932 1067384006 /nfs/dbraw/zinc/38/40/06/1067384006.db2.gz MRUCQRZMAONLOD-XIRDDKMYSA-N 1 3 467.571 -1.128 20 0 JAADHO