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)C[NH+]2CCCC2)CC1 ZINC000514340507 1067036553 /nfs/dbraw/zinc/03/65/53/1067036553.db2.gz FKHIQZCWUAWMHA-UHFFFAOYSA-N 2 0 492.621 -1.464 20 0 JAADRP C[NH+](C)CC(=O)N1CCN(C(=O)CCSCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000517178280 1067046193 /nfs/dbraw/zinc/04/61/93/1067046193.db2.gz XATACMSNRYFGAN-UHFFFAOYSA-N 2 0 484.667 -1.035 20 0 JAADRP C[NH+](C)CC(=O)N1CCN(C(=O)CSCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000534523982 1067070337 /nfs/dbraw/zinc/07/03/37/1067070337.db2.gz CBHYWSMYUSXWFZ-UHFFFAOYSA-N 2 0 456.613 -1.816 20 0 JAADRP C[NH+](C)CC(=O)N1CCN(C(=O)c2cncc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c2)CC1 ZINC000552525141 1067058592 /nfs/dbraw/zinc/05/85/92/1067058592.db2.gz GACOCMYAUXPOQT-UHFFFAOYSA-N 2 0 473.578 -1.226 20 0 JAADRP C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)n2)CC1 ZINC000620184420 1067092604 /nfs/dbraw/zinc/09/26/04/1067092604.db2.gz QNMPVMWFUPBVIM-UHFFFAOYSA-N 2 0 473.578 -1.226 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(C)CC1)C(N)=O ZINC001143238433 1067275218 /nfs/dbraw/zinc/27/52/18/1067275218.db2.gz UQVJUGNVXRQHBE-ZJOUEHCJSA-N 2 0 495.669 -1.145 20 0 JAADRP Cn1nnc2c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ncn2c1=O ZINC001152759728 1067241525 /nfs/dbraw/zinc/24/15/25/1067241525.db2.gz LYHPOHXRPFDYQX-BZLJGGKDSA-N 2 0 466.543 -1.268 20 0 JAADRP Cn1nnc2c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ncn2c1=O ZINC001152759732 1067280265 /nfs/dbraw/zinc/28/02/65/1067280265.db2.gz LYHPOHXRPFDYQX-KLDKLHMUSA-N 2 0 466.543 -1.268 20 0 JAADRP Cn1nnc2c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ncn2c1=O ZINC001152759735 1067280185 /nfs/dbraw/zinc/28/01/85/1067280185.db2.gz LYHPOHXRPFDYQX-SEAADYSGSA-N 2 0 466.543 -1.268 20 0 JAADRP Cn1nnc2c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ncn2c1=O ZINC001152759826 1067280319 /nfs/dbraw/zinc/28/03/19/1067280319.db2.gz LYHPOHXRPFDYQX-ZTQJHCERSA-N 2 0 466.543 -1.268 20 0 JAADRP Cc1cc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c2ccccc2[nH+]1 ZINC001157875283 1067284587 /nfs/dbraw/zinc/28/45/87/1067284587.db2.gz XWMUVOQNBGDPJB-UHFFFAOYSA-N 2 0 455.519 -1.501 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC2(CC[NH2+]CC2)C1)C(=O)CF ZINC001158076389 1067284458 /nfs/dbraw/zinc/28/44/58/1067284458.db2.gz HHWPVHBFKUETMU-MPGHIAIKSA-N 2 0 457.547 -1.131 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100770 1067284799 /nfs/dbraw/zinc/28/47/99/1067284799.db2.gz BXVAWKFJRUCJLY-KPDCDPCYSA-N 2 0 458.563 -1.496 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100771 1067285653 /nfs/dbraw/zinc/28/56/53/1067285653.db2.gz BXVAWKFJRUCJLY-NYDSKATKSA-N 2 0 458.563 -1.496 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C(=O)CF ZINC001158103027 1067285521 /nfs/dbraw/zinc/28/55/21/1067285521.db2.gz ZWDRLERBQUCECW-NXWOVTFFSA-N 2 0 456.519 -2.422 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C(=O)CF ZINC001158103029 1067285233 /nfs/dbraw/zinc/28/52/33/1067285233.db2.gz ZWDRLERBQUCECW-XZYPCVKCSA-N 2 0 456.519 -2.422 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120221 1067285317 /nfs/dbraw/zinc/28/53/17/1067285317.db2.gz KMHXWLCDRLOXBJ-CFLDLGCGSA-N 2 0 462.595 -1.206 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120222 1067285431 /nfs/dbraw/zinc/28/54/31/1067285431.db2.gz KMHXWLCDRLOXBJ-DSFVOBFGSA-N 2 0 462.595 -1.206 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120929 1067285552 /nfs/dbraw/zinc/28/55/52/1067285552.db2.gz VUWKPTCYGVMJTL-JVFUWBCBSA-N 2 0 484.601 -1.249 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120930 1067285591 /nfs/dbraw/zinc/28/55/91/1067285591.db2.gz VUWKPTCYGVMJTL-KHOMTPLRSA-N 2 0 484.601 -1.249 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137110 1067285273 /nfs/dbraw/zinc/28/52/73/1067285273.db2.gz DFWQHCVYTQMBDV-IBGZPJMESA-N 2 0 488.589 -1.376 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137118 1067285628 /nfs/dbraw/zinc/28/56/28/1067285628.db2.gz DFWQHCVYTQMBDV-LJQANCHMSA-N 2 0 488.589 -1.376 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(=O)CF ZINC001158277168 1067286100 /nfs/dbraw/zinc/28/61/00/1067286100.db2.gz LKJALKPVQQAFHJ-DOXZYTNZSA-N 2 0 494.572 -1.400 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001158378867 1067286258 /nfs/dbraw/zinc/28/62/58/1067286258.db2.gz AGORWQZNWMBEIL-LJYYHZRSSA-N 2 0 451.446 -1.373 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001158378868 1067285936 /nfs/dbraw/zinc/28/59/36/1067285936.db2.gz AGORWQZNWMBEIL-SKZFOKARSA-N 2 0 451.446 -1.373 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001158378869 1067286173 /nfs/dbraw/zinc/28/61/73/1067286173.db2.gz AGORWQZNWMBEIL-YGSYIFCWSA-N 2 0 451.446 -1.373 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2 ZINC001158378870 1067286206 /nfs/dbraw/zinc/28/62/06/1067286206.db2.gz AGORWQZNWMBEIL-YNHQPCIGSA-N 2 0 451.446 -1.373 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158379386 1067285969 /nfs/dbraw/zinc/28/59/69/1067285969.db2.gz DMCMNLDINFFEPO-BIPCEHGGSA-N 2 0 477.484 -1.016 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158379387 1067286078 /nfs/dbraw/zinc/28/60/78/1067286078.db2.gz DMCMNLDINFFEPO-MBZVMHRFSA-N 2 0 477.484 -1.016 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158379389 1067286300 /nfs/dbraw/zinc/28/63/00/1067286300.db2.gz DMCMNLDINFFEPO-OYUDYFSCSA-N 2 0 477.484 -1.016 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158379393 1067286218 /nfs/dbraw/zinc/28/62/18/1067286218.db2.gz DMCMNLDINFFEPO-WXPXUSHHSA-N 2 0 477.484 -1.016 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158384074 1067286036 /nfs/dbraw/zinc/28/60/36/1067286036.db2.gz QKDYPTHOWCMQAZ-DLBZAZTESA-N 2 0 480.444 -3.163 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158384075 1067286239 /nfs/dbraw/zinc/28/62/39/1067286239.db2.gz QKDYPTHOWCMQAZ-IAGOWNOFSA-N 2 0 480.444 -3.163 20 0 JAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158384076 1067286123 /nfs/dbraw/zinc/28/61/23/1067286123.db2.gz QKDYPTHOWCMQAZ-IRXDYDNUSA-N 2 0 480.444 -3.163 20 0 JAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158384077 1067286837 /nfs/dbraw/zinc/28/68/37/1067286837.db2.gz QKDYPTHOWCMQAZ-SJORKVTESA-N 2 0 480.444 -3.163 20 0 JAADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158466807 1067286983 /nfs/dbraw/zinc/28/69/83/1067286983.db2.gz BCUKGQQGFGSOJA-OYHNWAKOSA-N 2 0 480.566 -2.535 20 0 JAADRP 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]([NH3+])C(C)C)C(=O)CF ZINC001158498551 1067287101 /nfs/dbraw/zinc/28/71/01/1067287101.db2.gz PZQUFKODSZTRHB-ZJPHLAFSSA-N 2 0 485.557 -1.360 20 0 JAADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC001158513510 1067286802 /nfs/dbraw/zinc/28/68/02/1067286802.db2.gz OGYMGSICBUUJCG-UHFFFAOYSA-N 2 0 468.555 -2.440 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067287072 /nfs/dbraw/zinc/28/70/72/1067287072.db2.gz VAWXIKRDQMFUIC-MHRRCDSLSA-N 2 0 469.558 -1.133 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067287223 /nfs/dbraw/zinc/28/72/23/1067287223.db2.gz VAWXIKRDQMFUIC-PLUZIODPSA-N 2 0 469.558 -1.133 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661676 1067287685 /nfs/dbraw/zinc/28/76/85/1067287685.db2.gz YUCMTAJPOYTSOT-UHFFFAOYSA-N 2 0 459.467 -3.049 20 0 JAADRP [NH3+][C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158681063 1067287663 /nfs/dbraw/zinc/28/76/63/1067287663.db2.gz ILHRUQCCNDRXDD-BBWFWOEESA-N 2 0 450.565 -1.137 20 0 JAADRP [NH3+][C@@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158681064 1067287757 /nfs/dbraw/zinc/28/77/57/1067287757.db2.gz ILHRUQCCNDRXDD-GVDBMIGSSA-N 2 0 450.565 -1.137 20 0 JAADRP O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158683763 1067289340 /nfs/dbraw/zinc/28/93/40/1067289340.db2.gz ZAAMDPMASBUOAY-KYFSNAEOSA-N 2 0 462.576 -1.265 20 0 JAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694000 1067289044 /nfs/dbraw/zinc/28/90/44/1067289044.db2.gz QPLCCEZCGJMTJT-SOUVJXGZSA-N 2 0 456.594 -1.445 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734864 1067289242 /nfs/dbraw/zinc/28/92/42/1067289242.db2.gz GWBGEIMVPSUUHD-FZMZJTMJSA-N 2 0 456.525 -1.937 20 0 JAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158735169 1067289942 /nfs/dbraw/zinc/28/99/42/1067289942.db2.gz PXHKBLHMLBQXRY-UHFFFAOYSA-N 2 0 459.485 -4.084 20 0 JAADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158735243 1067290235 /nfs/dbraw/zinc/29/02/35/1067290235.db2.gz SGSRMBWBMRIZGF-RDJZCZTQSA-N 2 0 481.531 -1.639 20 0 JAADRP CC(C)N(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883114 1067290987 /nfs/dbraw/zinc/29/09/87/1067290987.db2.gz FUXWOIIDPZKSKM-MAUKXSAKSA-N 2 0 490.609 -1.160 20 0 JAADRP CC(C)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158884421 1067291089 /nfs/dbraw/zinc/29/10/89/1067291089.db2.gz MKMLSLMXSBPTOO-YOEHRIQHSA-N 2 0 476.582 -1.550 20 0 JAADRP CC(C)N(C(=O)CN(CC[NH3+])S(C)(=O)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158884936 1067290766 /nfs/dbraw/zinc/29/07/66/1067290766.db2.gz PWQIOKXCVKEPKH-UHFFFAOYSA-N 2 0 469.612 -1.037 20 0 JAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001158891163 1067290787 /nfs/dbraw/zinc/29/07/87/1067290787.db2.gz UUDUDDWPUNALIO-OALUTQOASA-N 2 0 461.563 -1.058 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905397 1067290894 /nfs/dbraw/zinc/29/08/94/1067290894.db2.gz WTKCVYJLIOJHAK-RBZFPXEDSA-N 2 0 465.486 -2.618 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905398 1067291154 /nfs/dbraw/zinc/29/11/54/1067291154.db2.gz WTKCVYJLIOJHAK-RNODOKPDSA-N 2 0 465.486 -2.618 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905399 1067291734 /nfs/dbraw/zinc/29/17/34/1067291734.db2.gz WTKCVYJLIOJHAK-XCLFUZPHSA-N 2 0 465.486 -2.618 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905400 1067291989 /nfs/dbraw/zinc/29/19/89/1067291989.db2.gz WTKCVYJLIOJHAK-ZUOKHONESA-N 2 0 465.486 -2.618 20 0 JAADRP Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC3)cs1 ZINC001158977410 1067291881 /nfs/dbraw/zinc/29/18/81/1067291881.db2.gz WKWMWOTXMQENQK-UHFFFAOYSA-N 2 0 479.607 -1.284 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)C(N)=O ZINC001159122806 1067294108 /nfs/dbraw/zinc/29/41/08/1067294108.db2.gz AKEDNKOLTLSGRY-UXLLHSPISA-N 2 0 464.571 -1.549 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)C(N)=O ZINC001159122807 1067294717 /nfs/dbraw/zinc/29/47/17/1067294717.db2.gz AKEDNKOLTLSGRY-ZMSDIMECSA-N 2 0 464.571 -1.549 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124209 1067294607 /nfs/dbraw/zinc/29/46/07/1067294607.db2.gz MDWABKRIVRTQLV-DZKIICNBSA-N 2 0 450.544 -1.939 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124210 1067294542 /nfs/dbraw/zinc/29/45/42/1067294542.db2.gz MDWABKRIVRTQLV-OFQRWUPVSA-N 2 0 450.544 -1.939 20 0 JAADRP Cn1nnc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2COCC[NH+]1CCCC1 ZINC001159125034 1067294205 /nfs/dbraw/zinc/29/42/05/1067294205.db2.gz SHKSPIYZVSFYJO-INIZCTEOSA-N 2 0 493.569 -3.339 20 0 JAADRP Cn1nnc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2COCC[NH+]1CCCC1 ZINC001159125035 1067294582 /nfs/dbraw/zinc/29/45/82/1067294582.db2.gz SHKSPIYZVSFYJO-MRXNPFEDSA-N 2 0 493.569 -3.339 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159158848 1067294401 /nfs/dbraw/zinc/29/44/01/1067294401.db2.gz SUUYMPPDBFDZEM-SQNIBIBYSA-N 2 0 489.581 -2.713 20 0 JAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2C[NH2+]CC4)CC3)C1=O ZINC001159182850 1067295875 /nfs/dbraw/zinc/29/58/75/1067295875.db2.gz VFXPKYISWDNTTK-HBGVWJBISA-N 2 0 453.609 -1.082 20 0 JAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2C[NH2+]CC4)CC3)C1=O ZINC001159182851 1067296110 /nfs/dbraw/zinc/29/61/10/1067296110.db2.gz VFXPKYISWDNTTK-MAODMQOUSA-N 2 0 453.609 -1.082 20 0 JAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001159189940 1067296129 /nfs/dbraw/zinc/29/61/29/1067296129.db2.gz GWQLZANUYURLOP-UHFFFAOYSA-N 2 0 466.499 -3.842 20 0 JAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191853 1067296449 /nfs/dbraw/zinc/29/64/49/1067296449.db2.gz YUTBQJPZXYMESH-DYESRHJHSA-N 2 0 470.640 -1.531 20 0 JAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191856 1067296682 /nfs/dbraw/zinc/29/66/82/1067296682.db2.gz YUTBQJPZXYMESH-LAUBAEHRSA-N 2 0 470.640 -1.531 20 0 JAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191859 1067296424 /nfs/dbraw/zinc/29/64/24/1067296424.db2.gz YUTBQJPZXYMESH-UTKZUKDTSA-N 2 0 470.640 -1.531 20 0 JAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191861 1067296499 /nfs/dbraw/zinc/29/64/99/1067296499.db2.gz YUTBQJPZXYMESH-UWJYYQICSA-N 2 0 470.640 -1.531 20 0 JAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001159191896 1067296372 /nfs/dbraw/zinc/29/63/72/1067296372.db2.gz JXBGSKZWWOPHKP-ROUUACIJSA-N 2 0 488.545 -1.397 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159192455 1067297215 /nfs/dbraw/zinc/29/72/15/1067297215.db2.gz SIVNPMOAZOFNIQ-ZFWWWQNUSA-N 2 0 463.539 -1.695 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237220 1067297740 /nfs/dbraw/zinc/29/77/40/1067297740.db2.gz YGAAFHXVMJGTQS-UHFFFAOYSA-N 2 0 471.522 -2.736 20 0 JAADRP CO[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317061 1067298315 /nfs/dbraw/zinc/29/83/15/1067298315.db2.gz PUEDPEMSCMMSES-RCCFBDPRSA-N 2 0 475.550 -2.563 20 0 JAADRP Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339202 1067298471 /nfs/dbraw/zinc/29/84/71/1067298471.db2.gz LVJJVQQLJFUJAV-HTAPYJJXSA-N 2 0 460.535 -1.844 20 0 JAADRP Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339203 1067298657 /nfs/dbraw/zinc/29/86/57/1067298657.db2.gz LVJJVQQLJFUJAV-JTSKRJEESA-N 2 0 460.535 -1.844 20 0 JAADRP Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339204 1067298727 /nfs/dbraw/zinc/29/87/27/1067298727.db2.gz LVJJVQQLJFUJAV-VGOFRKELSA-N 2 0 460.535 -1.844 20 0 JAADRP Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339205 1067298397 /nfs/dbraw/zinc/29/83/97/1067298397.db2.gz LVJJVQQLJFUJAV-VGSWGCGISA-N 2 0 460.535 -1.844 20 0 JAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393628 1067298292 /nfs/dbraw/zinc/29/82/92/1067298292.db2.gz GHTWMCXHDUYJPG-ARFHVFGLSA-N 2 0 481.600 -1.406 20 0 JAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393629 1067298576 /nfs/dbraw/zinc/29/85/76/1067298576.db2.gz GHTWMCXHDUYJPG-HRCADAONSA-N 2 0 481.600 -1.406 20 0 JAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393682 1067298595 /nfs/dbraw/zinc/29/85/95/1067298595.db2.gz IBXHXILEEQIZOG-FBUXBERBSA-N 2 0 452.537 -2.358 20 0 JAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394218 1067298373 /nfs/dbraw/zinc/29/83/73/1067298373.db2.gz LRRICLSUUWCOEZ-RRFJBIMHSA-N 2 0 451.553 -1.406 20 0 JAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394222 1067299577 /nfs/dbraw/zinc/29/95/77/1067299577.db2.gz LRRICLSUUWCOEZ-SOUVJXGZSA-N 2 0 451.553 -1.406 20 0 JAADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394885 1067299192 /nfs/dbraw/zinc/29/91/92/1067299192.db2.gz SLGILCQNLRAQEB-GVDBMIGSSA-N 2 0 474.587 -1.066 20 0 JAADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394887 1067299351 /nfs/dbraw/zinc/29/93/51/1067299351.db2.gz SLGILCQNLRAQEB-YESZJQIVSA-N 2 0 474.587 -1.066 20 0 JAADRP C[C@H]([NH3+])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 1067299172 /nfs/dbraw/zinc/29/91/72/1067299172.db2.gz WYFFKABAKQNSHP-FBUXBERBSA-N 2 0 479.563 -2.475 20 0 JAADRP C[C@H]([NH3+])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 1067299527 /nfs/dbraw/zinc/29/95/27/1067299527.db2.gz YRTNMQRLZOYAOT-DANNLKNASA-N 2 0 493.590 -2.085 20 0 JAADRP N[C@@H](CN1CCC([NH3+])CC1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395786 1067299554 /nfs/dbraw/zinc/29/95/54/1067299554.db2.gz ZNKHOWRZLLHMNI-OKZBNKHCSA-N 2 0 463.608 -1.432 20 0 JAADRP N[C@H](CN1CCC([NH3+])CC1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395787 1067299104 /nfs/dbraw/zinc/29/91/04/1067299104.db2.gz ZNKHOWRZLLHMNI-RCCFBDPRSA-N 2 0 463.608 -1.432 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402892 1067299597 /nfs/dbraw/zinc/29/95/97/1067299597.db2.gz KYOFZSJWGLRNOK-SOUVJXGZSA-N 2 0 462.511 -3.259 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403648 1067299252 /nfs/dbraw/zinc/29/92/52/1067299252.db2.gz RBBXYSWESOTDDA-KFGODFMUSA-N 2 0 459.551 -1.112 20 0 JAADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001159412886 1067299290 /nfs/dbraw/zinc/29/92/90/1067299290.db2.gz ZZRILDUUCHAHRE-UHFFFAOYSA-N 2 0 473.578 -1.408 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001159424202 1067299134 /nfs/dbraw/zinc/29/91/34/1067299134.db2.gz DTTIBFWTBDYWEH-WMZOPIPTSA-N 2 0 460.583 -1.573 20 0 JAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC3)CC1 ZINC001159426235 1067299403 /nfs/dbraw/zinc/29/94/03/1067299403.db2.gz XKBFIJDUCBJZDJ-SFTDATJTSA-N 2 0 485.589 -1.275 20 0 JAADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458872 1067302018 /nfs/dbraw/zinc/30/20/18/1067302018.db2.gz RDLNCOIFARRNFS-BRSBDYLESA-N 2 0 454.593 -1.019 20 0 JAADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458873 1067302308 /nfs/dbraw/zinc/30/23/08/1067302308.db2.gz RDLNCOIFARRNFS-BSDSXHPESA-N 2 0 454.593 -1.019 20 0 JAADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458874 1067302283 /nfs/dbraw/zinc/30/22/83/1067302283.db2.gz RDLNCOIFARRNFS-XWTMOSNGSA-N 2 0 454.593 -1.019 20 0 JAADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458875 1067302080 /nfs/dbraw/zinc/30/20/80/1067302080.db2.gz RDLNCOIFARRNFS-ZJPYXAASSA-N 2 0 454.593 -1.019 20 0 JAADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC2 ZINC001159481769 1067302767 /nfs/dbraw/zinc/30/27/67/1067302767.db2.gz VRDSSVNHPCKCNY-UHFFFAOYSA-N 2 0 478.554 -2.877 20 0 JAADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001159482131 1067302898 /nfs/dbraw/zinc/30/28/98/1067302898.db2.gz YZOWZIJTNATNNL-IIBYNOLFSA-N 2 0 452.556 -2.499 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573711 1067304487 /nfs/dbraw/zinc/30/44/87/1067304487.db2.gz DWVKBDQVZOBYRA-UHFFFAOYSA-N 2 0 487.565 -2.475 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159574157 1067304289 /nfs/dbraw/zinc/30/42/89/1067304289.db2.gz NTFFPYBNMGXEML-UHFFFAOYSA-N 2 0 497.560 -2.327 20 0 JAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159608011 1067305046 /nfs/dbraw/zinc/30/50/46/1067305046.db2.gz DXJVRXJMIWLZDU-KRWDZBQOSA-N 2 0 459.599 -1.379 20 0 JAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159608014 1067304804 /nfs/dbraw/zinc/30/48/04/1067304804.db2.gz DXJVRXJMIWLZDU-QGZVFWFLSA-N 2 0 459.599 -1.379 20 0 JAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)COC1(C)C ZINC001159608779 1067305145 /nfs/dbraw/zinc/30/51/45/1067305145.db2.gz AWYBOHZEKWIHPW-IRXDYDNUSA-N 2 0 452.600 -1.006 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)C(N)=O ZINC001159609735 1067305382 /nfs/dbraw/zinc/30/53/82/1067305382.db2.gz IZIQGNQCFBJOFP-JKSUJKDBSA-N 2 0 453.588 -2.219 20 0 JAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001159610264 1067305199 /nfs/dbraw/zinc/30/51/99/1067305199.db2.gz NNMHFVCMMSQQQG-KRWDZBQOSA-N 2 0 454.616 -1.058 20 0 JAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001159611098 1067304913 /nfs/dbraw/zinc/30/49/13/1067304913.db2.gz WRLDUZBSIZDZMO-UHFFFAOYSA-N 2 0 482.586 -4.010 20 0 JAADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2C ZINC001159633460 1067306238 /nfs/dbraw/zinc/30/62/38/1067306238.db2.gz LKHUNXQXPBHJCN-AWEZNQCLSA-N 2 0 450.544 -2.066 20 0 JAADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2C ZINC001159633461 1067305738 /nfs/dbraw/zinc/30/57/38/1067305738.db2.gz LKHUNXQXPBHJCN-CQSZACIVSA-N 2 0 450.544 -2.066 20 0 JAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC[C@@H]2C1 ZINC001159635730 1067305862 /nfs/dbraw/zinc/30/58/62/1067305862.db2.gz QLVHXGDALCDGQK-BVOGOJNSSA-N 2 0 464.563 -1.065 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663808 1067306820 /nfs/dbraw/zinc/30/68/20/1067306820.db2.gz ANKRTFMESXCYMG-DLBZAZTESA-N 2 0 461.523 -2.809 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663818 1067306569 /nfs/dbraw/zinc/30/65/69/1067306569.db2.gz ANKRTFMESXCYMG-IAGOWNOFSA-N 2 0 461.523 -2.809 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663824 1067306671 /nfs/dbraw/zinc/30/66/71/1067306671.db2.gz ANKRTFMESXCYMG-IRXDYDNUSA-N 2 0 461.523 -2.809 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663827 1067306500 /nfs/dbraw/zinc/30/65/00/1067306500.db2.gz ANKRTFMESXCYMG-SJORKVTESA-N 2 0 461.523 -2.809 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)C(N)=O ZINC001159756762 1067308406 /nfs/dbraw/zinc/30/84/06/1067308406.db2.gz DZVASPVJZBFLAP-KCXPTXFHSA-N 2 0 452.600 -1.129 20 0 JAADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C3)O2)CC1 ZINC001159757500 1067308355 /nfs/dbraw/zinc/30/83/55/1067308355.db2.gz JOXMQFRJHZZTMK-VGOFRKELSA-N 2 0 481.598 -2.919 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834519 1067309601 /nfs/dbraw/zinc/30/96/01/1067309601.db2.gz VJUJZMWCTNHCMC-KBPBESRZSA-N 2 0 451.553 -2.127 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834521 1067309467 /nfs/dbraw/zinc/30/94/67/1067309467.db2.gz VJUJZMWCTNHCMC-KGLIPLIRSA-N 2 0 451.553 -2.127 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834523 1067308895 /nfs/dbraw/zinc/30/88/95/1067308895.db2.gz VJUJZMWCTNHCMC-UONOGXRCSA-N 2 0 451.553 -2.127 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834525 1067309267 /nfs/dbraw/zinc/30/92/67/1067309267.db2.gz VJUJZMWCTNHCMC-ZIAGYGMSSA-N 2 0 451.553 -2.127 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855360 1067309059 /nfs/dbraw/zinc/30/90/59/1067309059.db2.gz LKJMEEMJUCKDNY-DOTOQJQBSA-N 2 0 464.498 -2.203 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855361 1067309522 /nfs/dbraw/zinc/30/95/22/1067309522.db2.gz LKJMEEMJUCKDNY-NVXWUHKLSA-N 2 0 464.498 -2.203 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855362 1067309328 /nfs/dbraw/zinc/30/93/28/1067309328.db2.gz LKJMEEMJUCKDNY-RDJZCZTQSA-N 2 0 464.498 -2.203 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855363 1067308829 /nfs/dbraw/zinc/30/88/29/1067308829.db2.gz LKJMEEMJUCKDNY-WBVHZDCISA-N 2 0 464.498 -2.203 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888936 1067308953 /nfs/dbraw/zinc/30/89/53/1067308953.db2.gz XRMNJXRNWDEBPR-NRFANRHFSA-N 2 0 495.531 -1.551 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888937 1067309210 /nfs/dbraw/zinc/30/92/10/1067309210.db2.gz XRMNJXRNWDEBPR-OAQYLSRUSA-N 2 0 495.531 -1.551 20 0 JAADRP Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052122 1067311071 /nfs/dbraw/zinc/31/10/71/1067311071.db2.gz MBXKRMOLNHWGQL-BTYIYWSLSA-N 2 0 476.538 -2.664 20 0 JAADRP Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052125 1067311042 /nfs/dbraw/zinc/31/10/42/1067311042.db2.gz MBXKRMOLNHWGQL-QVKFZJNVSA-N 2 0 476.538 -2.664 20 0 JAADRP Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052127 1067311628 /nfs/dbraw/zinc/31/16/28/1067311628.db2.gz MBXKRMOLNHWGQL-VFNWGFHPSA-N 2 0 476.538 -2.664 20 0 JAADRP Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052129 1067311348 /nfs/dbraw/zinc/31/13/48/1067311348.db2.gz MBXKRMOLNHWGQL-YCRPNKLZSA-N 2 0 476.538 -2.664 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160052811 1067311444 /nfs/dbraw/zinc/31/14/44/1067311444.db2.gz OMPCJHCQWZVPBB-UHFFFAOYSA-N 2 0 459.551 -1.797 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139036 1067313042 /nfs/dbraw/zinc/31/30/42/1067313042.db2.gz SZEXWXIZPYXRID-ZSDSOXJFSA-N 2 0 461.523 -2.511 20 0 JAADRP Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160170989 1067313315 /nfs/dbraw/zinc/31/33/15/1067313315.db2.gz DNSPAZRUPRKEPB-UHFFFAOYSA-N 2 0 482.545 -1.555 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160294396 1067314524 /nfs/dbraw/zinc/31/45/24/1067314524.db2.gz BOKHVSFDBINYMR-JOCHJYFZSA-N 2 0 462.526 -1.300 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160294397 1067314938 /nfs/dbraw/zinc/31/49/38/1067314938.db2.gz BOKHVSFDBINYMR-QFIPXVFZSA-N 2 0 462.526 -1.300 20 0 JAADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCC2 ZINC001160371544 1067316315 /nfs/dbraw/zinc/31/63/15/1067316315.db2.gz KXYKXDMBYYCHGF-UHFFFAOYSA-N 2 0 466.543 -2.999 20 0 JAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160381516 1067316904 /nfs/dbraw/zinc/31/69/04/1067316904.db2.gz WIECRDZQNPHDIG-HOTGVXAUSA-N 2 0 464.571 -1.328 20 0 JAADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160389046 1067316493 /nfs/dbraw/zinc/31/64/93/1067316493.db2.gz VETMINKHXJNPRI-UHFFFAOYSA-N 2 0 453.544 -3.161 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160390791 1067316947 /nfs/dbraw/zinc/31/69/47/1067316947.db2.gz FZJFPJWOHMSXSB-IRXDYDNUSA-N 2 0 450.584 -1.014 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406772 1067317539 /nfs/dbraw/zinc/31/75/39/1067317539.db2.gz WSSYPZXSVJBIPK-UHFFFAOYSA-N 2 0 472.510 -2.993 20 0 JAADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]21 ZINC001160424420 1067317760 /nfs/dbraw/zinc/31/77/60/1067317760.db2.gz SWXYHKHDUZSJOF-BHIYHBOVSA-N 2 0 473.578 -1.552 20 0 JAADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]21 ZINC001160424421 1067317465 /nfs/dbraw/zinc/31/74/65/1067317465.db2.gz SWXYHKHDUZSJOF-NZSAHSFTSA-N 2 0 473.578 -1.552 20 0 JAADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]21 ZINC001160424422 1067317261 /nfs/dbraw/zinc/31/72/61/1067317261.db2.gz SWXYHKHDUZSJOF-QXAKKESOSA-N 2 0 473.578 -1.552 20 0 JAADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]21 ZINC001160424423 1067317595 /nfs/dbraw/zinc/31/75/95/1067317595.db2.gz SWXYHKHDUZSJOF-YTQUADARSA-N 2 0 473.578 -1.552 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)NCC(N)=O ZINC001160626639 1067319215 /nfs/dbraw/zinc/31/92/15/1067319215.db2.gz ACQGMEODTGRLNX-IKGGRYGDSA-N 2 0 450.584 -1.016 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)NCC(N)=O ZINC001160626642 1067318812 /nfs/dbraw/zinc/31/88/12/1067318812.db2.gz ACQGMEODTGRLNX-ULQDDVLXSA-N 2 0 450.584 -1.016 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)C(=O)NCC(N)=O ZINC001160630067 1067320106 /nfs/dbraw/zinc/32/01/06/1067320106.db2.gz VCMCRMLNMRCJKU-BZSNNMDCSA-N 2 0 480.610 -1.437 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1)C(=O)NCC(N)=O ZINC001160630069 1067320163 /nfs/dbraw/zinc/32/01/63/1067320163.db2.gz VCMCRMLNMRCJKU-OKZBNKHCSA-N 2 0 480.610 -1.437 20 0 JAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]1C2 ZINC001160797084 1067321720 /nfs/dbraw/zinc/32/17/20/1067321720.db2.gz IZHGKVJRAZEYBI-QRSYKAQNSA-N 2 0 460.531 -1.404 20 0 JAADRP CCOC(=O)[C@]12CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@H]1C[NH2+]CC2 ZINC001160812164 1067321209 /nfs/dbraw/zinc/32/12/09/1067321209.db2.gz ISTWZRHVJZNRNZ-QTSPYONBSA-N 2 0 499.584 -1.111 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902590 1067322100 /nfs/dbraw/zinc/32/21/00/1067322100.db2.gz UEKJPRVAGMKEIY-PMECCGAFSA-N 2 0 460.579 -1.285 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1ncccn1)C1C[NH2+]C1)C(=O)CF ZINC001160916080 1067322417 /nfs/dbraw/zinc/32/24/17/1067322417.db2.gz UEVODCNKCKVUAO-JDFRZJQESA-N 2 0 451.503 -1.317 20 0 JAADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001160957362 1067322525 /nfs/dbraw/zinc/32/25/25/1067322525.db2.gz QRBNFTSTQLNYEU-GOSISDBHSA-N 2 0 476.578 -1.185 20 0 JAADRP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001160957365 1067322443 /nfs/dbraw/zinc/32/24/43/1067322443.db2.gz QRBNFTSTQLNYEU-SFHVURJKSA-N 2 0 476.578 -1.185 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067322999 /nfs/dbraw/zinc/32/29/99/1067322999.db2.gz ZWGLIPTXHSZVIV-DNUAJFIVSA-N 2 0 457.547 -1.397 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067323212 /nfs/dbraw/zinc/32/32/12/1067323212.db2.gz ZWGLIPTXHSZVIV-KMCQBPLKSA-N 2 0 457.547 -1.397 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161056284 1067322868 /nfs/dbraw/zinc/32/28/68/1067322868.db2.gz LDAAFHBDWHMFLT-IBGZPJMESA-N 2 0 458.563 -1.051 20 0 JAADRP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001161057572 1067322918 /nfs/dbraw/zinc/32/29/18/1067322918.db2.gz AZUQCYLPASRWDW-UHFFFAOYSA-N 2 0 450.515 -1.444 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161089982 1067323682 /nfs/dbraw/zinc/32/36/82/1067323682.db2.gz JWCPQTRLQSRULN-UHFFFAOYSA-N 2 0 456.507 -1.978 20 0 JAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118199 1067323495 /nfs/dbraw/zinc/32/34/95/1067323495.db2.gz ARTPASXHAABAPY-GJZGRUSLSA-N 2 0 466.555 -2.051 20 0 JAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118605 1067323419 /nfs/dbraw/zinc/32/34/19/1067323419.db2.gz IDICWIRMVCUNQO-JYJNAYRXSA-N 2 0 475.562 -1.495 20 0 JAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118614 1067323746 /nfs/dbraw/zinc/32/37/46/1067323746.db2.gz IDICWIRMVCUNQO-XHSDSOJGSA-N 2 0 475.562 -1.495 20 0 JAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119227 1067323643 /nfs/dbraw/zinc/32/36/43/1067323643.db2.gz MUBDDYCHWBOIGF-BBWFWOEESA-N 2 0 468.549 -1.156 20 0 JAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119228 1067323479 /nfs/dbraw/zinc/32/34/79/1067323479.db2.gz MUBDDYCHWBOIGF-ULQDDVLXSA-N 2 0 468.549 -1.156 20 0 JAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122829 1067324270 /nfs/dbraw/zinc/32/42/70/1067324270.db2.gz LSWGVGIYYHWYPO-ULQDDVLXSA-N 2 0 488.580 -1.013 20 0 JAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123069 1067324030 /nfs/dbraw/zinc/32/40/30/1067324030.db2.gz ORZWGXXRWWAQBT-BZSNNMDCSA-N 3 0 457.570 -1.521 20 0 JAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123073 1067324179 /nfs/dbraw/zinc/32/41/79/1067324179.db2.gz ORZWGXXRWWAQBT-KSZLIROESA-N 3 0 457.570 -1.521 20 0 JAADRP C[C@H]([NH3+])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 1067324385 /nfs/dbraw/zinc/32/43/85/1067324385.db2.gz SIUUDMZBPNQOCB-JONQDZQNSA-N 2 0 487.552 -2.174 20 0 JAADRP C[C@H]([NH3+])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 1067324233 /nfs/dbraw/zinc/32/42/33/1067324233.db2.gz ZSCKJZULIVFXNC-AJNGGQMLSA-N 2 0 473.525 -2.564 20 0 JAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c2nonc21 ZINC001161154105 1067324706 /nfs/dbraw/zinc/32/47/06/1067324706.db2.gz VGGOWFNRIVCSHV-HNNXBMFYSA-N 2 0 480.595 -1.128 20 0 JAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c2nonc21 ZINC001161154107 1067324854 /nfs/dbraw/zinc/32/48/54/1067324854.db2.gz VGGOWFNRIVCSHV-OAHLLOKOSA-N 2 0 480.595 -1.128 20 0 JAADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001161158256 1067325300 /nfs/dbraw/zinc/32/53/00/1067325300.db2.gz SJENBPKRZABLGE-DEYYWGMASA-N 2 0 461.535 -1.372 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196954 1067325551 /nfs/dbraw/zinc/32/55/51/1067325551.db2.gz VKFJLYLYRULSBM-UHFFFAOYSA-N 2 0 469.587 -3.156 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198222 1067325446 /nfs/dbraw/zinc/32/54/46/1067325446.db2.gz NPWAZSNCYZZBOI-ICSRJNTNSA-N 2 0 466.627 -1.009 20 0 JAADRP Cc1cc(F)cc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC[NH2+]CC2)c1 ZINC001161281833 1067326368 /nfs/dbraw/zinc/32/63/68/1067326368.db2.gz NHMNZUITBIFXGD-UHFFFAOYSA-N 2 0 450.515 -1.478 20 0 JAADRP COc1cc(C)nc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309831 1067326203 /nfs/dbraw/zinc/32/62/03/1067326203.db2.gz VXOAIUIZYGUYRI-UHFFFAOYSA-N 2 0 450.500 -2.814 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354492 1067326141 /nfs/dbraw/zinc/32/61/41/1067326141.db2.gz MPVLCFOFBCJQII-UHFFFAOYSA-N 2 0 495.562 -2.861 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)C(N)=O ZINC001161358353 1067326279 /nfs/dbraw/zinc/32/62/79/1067326279.db2.gz BVUMXRBIVDYCGV-XJKSGUPXSA-N 2 0 466.564 -1.071 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161359828 1067326018 /nfs/dbraw/zinc/32/60/18/1067326018.db2.gz OLOJOGFUFAMXEF-WFASDCNBSA-N 2 0 452.537 -1.461 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)C(=O)CF ZINC001161377573 1067326400 /nfs/dbraw/zinc/32/64/00/1067326400.db2.gz HUXUBZYIUQJVHQ-FORWCCJISA-N 2 0 470.590 -1.088 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)C(=O)CF ZINC001161377574 1067326230 /nfs/dbraw/zinc/32/62/30/1067326230.db2.gz HUXUBZYIUQJVHQ-VERUCKTNSA-N 2 0 470.590 -1.088 20 0 JAADRP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001161438164 1067326111 /nfs/dbraw/zinc/32/61/11/1067326111.db2.gz BSMHWOWRSXSVFQ-UHFFFAOYSA-N 2 0 450.515 -1.444 20 0 JAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001161479976 1067326900 /nfs/dbraw/zinc/32/69/00/1067326900.db2.gz RIJQHJLLRLRHFC-BFTUCYNDSA-N 2 0 485.557 -1.359 20 0 JAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001161479977 1067326586 /nfs/dbraw/zinc/32/65/86/1067326586.db2.gz RIJQHJLLRLRHFC-HLXOTRNMSA-N 2 0 485.557 -1.359 20 0 JAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001161479978 1067326922 /nfs/dbraw/zinc/32/69/22/1067326922.db2.gz RIJQHJLLRLRHFC-JFAOBLJGSA-N 2 0 485.557 -1.359 20 0 JAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001161479979 1067326760 /nfs/dbraw/zinc/32/67/60/1067326760.db2.gz RIJQHJLLRLRHFC-KZMWDXIISA-N 2 0 485.557 -1.359 20 0 JAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506649 1067326792 /nfs/dbraw/zinc/32/67/92/1067326792.db2.gz NAMLFLLMAATKCY-BZSNNMDCSA-N 2 0 450.584 -1.171 20 0 JAADRP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506650 1067326835 /nfs/dbraw/zinc/32/68/35/1067326835.db2.gz NAMLFLLMAATKCY-SQNIBIBYSA-N 2 0 450.584 -1.171 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577170 1067327471 /nfs/dbraw/zinc/32/74/71/1067327471.db2.gz UWTJAEYQFLWTDD-MOPGFXCFSA-N 2 0 458.563 -1.336 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577171 1067327256 /nfs/dbraw/zinc/32/72/56/1067327256.db2.gz UWTJAEYQFLWTDD-OALUTQOASA-N 2 0 458.563 -1.336 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577172 1067327319 /nfs/dbraw/zinc/32/73/19/1067327319.db2.gz UWTJAEYQFLWTDD-RBUKOAKNSA-N 2 0 458.563 -1.336 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577173 1067327643 /nfs/dbraw/zinc/32/76/43/1067327643.db2.gz UWTJAEYQFLWTDD-RTBURBONSA-N 2 0 458.563 -1.336 20 0 JAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(N2CCOCC2)[nH+]c2c1CCN2 ZINC001162842260 1067329246 /nfs/dbraw/zinc/32/92/46/1067329246.db2.gz GPPHRUASTXJKNR-HOTGVXAUSA-N 2 0 455.523 -1.187 20 0 JAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001162844617 1067330042 /nfs/dbraw/zinc/33/00/42/1067330042.db2.gz FFFKMZGFZJQNKO-RDJZCZTQSA-N 2 0 455.523 -1.552 20 0 JAADRP COc1cccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c21 ZINC001163437970 1067330686 /nfs/dbraw/zinc/33/06/86/1067330686.db2.gz ACEDEQZNDOPGMR-RDJZCZTQSA-N 2 0 497.560 -1.091 20 0 JAADRP COc1cc(C)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437972 1067330851 /nfs/dbraw/zinc/33/08/51/1067330851.db2.gz ACWXVLSNNKOKJS-HOTGVXAUSA-N 2 0 460.539 -1.331 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(C3CC3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163437974 1067330406 /nfs/dbraw/zinc/33/04/06/1067330406.db2.gz ADRHUHPTONXKKH-RDJZCZTQSA-N 2 0 457.539 -1.375 20 0 JAADRP COCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163437975 1067330885 /nfs/dbraw/zinc/33/08/85/1067330885.db2.gz AILUANQYVGZTPM-HOTGVXAUSA-N 2 0 461.527 -2.106 20 0 JAADRP CC(C)COc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163437977 1067330637 /nfs/dbraw/zinc/33/06/37/1067330637.db2.gz AKXMYYBMDRHMGB-IRXDYDNUSA-N 2 0 489.581 -1.218 20 0 JAADRP CN(C)c1cc[nH+]c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163437979 1067330578 /nfs/dbraw/zinc/33/05/78/1067330578.db2.gz ANXRPNRZZGYOAQ-IRXDYDNUSA-N 3 0 459.555 -1.582 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncccc2C[NH+]2CCCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163437982 1067330928 /nfs/dbraw/zinc/33/09/28/1067330928.db2.gz AQANUSYFUQMEDQ-PMACEKPBSA-N 3 0 499.620 -1.052 20 0 JAADRP CN(C)c1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163437984 1067331480 /nfs/dbraw/zinc/33/14/80/1067331480.db2.gz ASCKGMGDBPTYGS-KBPBESRZSA-N 2 0 494.988 -1.533 20 0 JAADRP CCc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163437989 1067331615 /nfs/dbraw/zinc/33/16/15/1067331615.db2.gz AWSLYDBBNWTGKV-GJZGRUSLSA-N 2 0 479.973 -1.037 20 0 JAADRP CS(=O)(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438022 1067331160 /nfs/dbraw/zinc/33/11/60/1067331160.db2.gz BZRIYVVARZPPGR-HOTGVXAUSA-N 2 0 494.578 -2.244 20 0 JAADRP Cc1nc(C)c(C)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438058 1067331200 /nfs/dbraw/zinc/33/12/00/1067331200.db2.gz CRHJPXPNVRSCSB-IRXDYDNUSA-N 2 0 459.555 -1.327 20 0 JAADRP COCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438094 1067331292 /nfs/dbraw/zinc/33/12/92/1067331292.db2.gz DDJMHELSIYWITC-IRXDYDNUSA-N 2 0 460.539 -1.501 20 0 JAADRP COc1c(Cl)nc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438109 1067331225 /nfs/dbraw/zinc/33/12/25/1067331225.db2.gz DNVCHDOEIDLRLS-KBPBESRZSA-N 2 0 495.972 -1.282 20 0 JAADRP Cc1nc(Cl)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438143 1067331646 /nfs/dbraw/zinc/33/16/46/1067331646.db2.gz DVBMOEAUGBOPQC-KBPBESRZSA-N 2 0 465.946 -1.291 20 0 JAADRP CC(C)c1nccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438144 1067331415 /nfs/dbraw/zinc/33/14/15/1067331415.db2.gz DVZHSCGTSFYWRC-HOTGVXAUSA-N 2 0 459.555 -1.129 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CCOC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438145 1067331246 /nfs/dbraw/zinc/33/12/46/1067331246.db2.gz DWUPMDCJPMGIOA-RDJZCZTQSA-N 2 0 473.538 -2.180 20 0 JAADRP COc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)c1 ZINC001163438152 1067331181 /nfs/dbraw/zinc/33/11/81/1067331181.db2.gz FDTHXJZOSADYOC-IRXDYDNUSA-N 2 0 460.539 -1.331 20 0 JAADRP CCSc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438159 1067331366 /nfs/dbraw/zinc/33/13/66/1067331366.db2.gz FFTPOYAFUALGJA-GJZGRUSLSA-N 2 0 477.595 -1.141 20 0 JAADRP CCc1cc(CC)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438162 1067331588 /nfs/dbraw/zinc/33/15/88/1067331588.db2.gz FLHGUPWQMHVWIZ-ROUUACIJSA-N 2 0 473.582 -1.128 20 0 JAADRP C[C@H]1CCc2nnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2C1 ZINC001163438288 1067331532 /nfs/dbraw/zinc/33/15/32/1067331532.db2.gz FXLYBRQKSAQMQO-FNHZYXHNSA-N 2 0 485.593 -1.128 20 0 JAADRP C[C@@H]1CCc2nnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)cc2C1 ZINC001163438290 1067331318 /nfs/dbraw/zinc/33/13/18/1067331318.db2.gz FXLYBRQKSAQMQO-LJHODMEESA-N 2 0 485.593 -1.128 20 0 JAADRP COC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163438301 1067331391 /nfs/dbraw/zinc/33/13/91/1067331391.db2.gz ADOWOWNYMYQMDW-IRXDYDNUSA-N 2 0 488.549 -1.553 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438329 1067331968 /nfs/dbraw/zinc/33/19/68/1067331968.db2.gz GRALIDMYQZIGKN-RDJZCZTQSA-N 2 0 457.539 -1.764 20 0 JAADRP COc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c2ccccc21 ZINC001163438340 1067331942 /nfs/dbraw/zinc/33/19/42/1067331942.db2.gz GUEGGKOBWSQGMG-ROUUACIJSA-N 2 0 497.560 -1.091 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nncc3ccccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438343 1067331340 /nfs/dbraw/zinc/33/13/40/1067331340.db2.gz AUDZOFQWQMATBE-ROUUACIJSA-N 2 0 467.534 -1.099 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccccn3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438344 1067331886 /nfs/dbraw/zinc/33/18/86/1067331886.db2.gz GYJLZGWNEUHULG-LPHOPBHVSA-N 2 0 494.560 -1.191 20 0 JAADRP CC(C)(C)Oc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438355 1067332202 /nfs/dbraw/zinc/33/22/02/1067332202.db2.gz HBGSXUPTLQMPMI-HOTGVXAUSA-N 2 0 489.581 -1.075 20 0 JAADRP CCOC(=O)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438365 1067331852 /nfs/dbraw/zinc/33/18/52/1067331852.db2.gz BFKHAEQJVPPJMS-HOTGVXAUSA-N 2 0 489.537 -2.076 20 0 JAADRP COc1ccc2nc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)ncc2c1 ZINC001163438367 1067332165 /nfs/dbraw/zinc/33/21/65/1067332165.db2.gz HIGFGBPQTAAKRS-HKUYNNGSSA-N 2 0 497.560 -1.091 20 0 JAADRP COc1ccc2c(c1)ncnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438371 1067331758 /nfs/dbraw/zinc/33/17/58/1067331758.db2.gz HMQKPTABHPPRHR-HKUYNNGSSA-N 2 0 497.560 -1.091 20 0 JAADRP Cn1ccc2c1ncnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438377 1067332035 /nfs/dbraw/zinc/33/20/35/1067332035.db2.gz BJALYOWMBNCSBP-HOTGVXAUSA-N 2 0 470.538 -1.761 20 0 JAADRP COCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438384 1067332225 /nfs/dbraw/zinc/33/22/25/1067332225.db2.gz BKRZERIZFANQOH-IRXDYDNUSA-N 2 0 475.554 -1.798 20 0 JAADRP CCN(CC)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438386 1067331819 /nfs/dbraw/zinc/33/18/19/1067331819.db2.gz HUWMVEWNONMLSX-IRXDYDNUSA-N 2 0 488.597 -1.406 20 0 JAADRP CC(C)Oc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438391 1067332015 /nfs/dbraw/zinc/33/20/15/1067332015.db2.gz IBBHSKRUJGIBNJ-HOTGVXAUSA-N 2 0 475.554 -1.465 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3c(n2)CCCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438400 1067331915 /nfs/dbraw/zinc/33/19/15/1067331915.db2.gz IHLCFGAXNMRDJZ-YJBOKZPZSA-N 2 0 471.566 -1.374 20 0 JAADRP CSc1nc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438430 1067332147 /nfs/dbraw/zinc/33/21/47/1067332147.db2.gz BPFSKHITNNTVQU-RYUDHWBXSA-N 2 0 499.001 -1.482 20 0 JAADRP COC(=O)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438462 1067332125 /nfs/dbraw/zinc/33/21/25/1067332125.db2.gz CCZKTDSYVNIGMJ-HOCLYGCPSA-N 2 0 474.522 -1.861 20 0 JAADRP CC(C)Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438463 1067331791 /nfs/dbraw/zinc/33/17/91/1067331791.db2.gz JHRQQOFCOOBKLN-ROUUACIJSA-N 2 0 473.582 -1.054 20 0 JAADRP C=C(OCC)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438468 1067332401 /nfs/dbraw/zinc/33/24/01/1067332401.db2.gz JKAFNVBMEUZHGJ-WMZOPIPTSA-N 2 0 487.565 -1.245 20 0 JAADRP CC(C)COc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438487 1067332873 /nfs/dbraw/zinc/33/28/73/1067332873.db2.gz JQWPNMUWFICSNH-IRXDYDNUSA-N 2 0 489.581 -1.218 20 0 JAADRP COc1cnc(SC)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438489 1067332572 /nfs/dbraw/zinc/33/25/72/1067332572.db2.gz CLGARBCZPYPDGU-KBPBESRZSA-N 2 0 493.594 -1.522 20 0 JAADRP CSc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438490 1067332595 /nfs/dbraw/zinc/33/25/95/1067332595.db2.gz JSDGYGIAVREMKE-GJZGRUSLSA-N 2 0 477.595 -1.222 20 0 JAADRP CCCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438493 1067332796 /nfs/dbraw/zinc/33/27/96/1067332796.db2.gz JTEDDODSRPYBRI-IRXDYDNUSA-N 2 0 459.555 -1.300 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(-c3ccncc3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438497 1067332621 /nfs/dbraw/zinc/33/26/21/1067332621.db2.gz JUOBEJWCYLNSIN-HKUYNNGSSA-N 2 0 494.560 -1.191 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(-c3cccnc3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438500 1067332820 /nfs/dbraw/zinc/33/28/20/1067332820.db2.gz JXBBMUZGVIHGBK-ROUUACIJSA-N 2 0 494.560 -1.191 20 0 JAADRP CSc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438510 1067332726 /nfs/dbraw/zinc/33/27/26/1067332726.db2.gz CTMVDSIVJDNRKN-KBPBESRZSA-N 2 0 463.568 -1.531 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)ncc2F)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438534 1067332496 /nfs/dbraw/zinc/33/24/96/1067332496.db2.gz DIBXEPWDUGCTQB-STQMWFEESA-N 2 0 469.909 -1.460 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3c2CCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438538 1067332844 /nfs/dbraw/zinc/33/28/44/1067332844.db2.gz DLHCXBZVWTVQIB-HOCLYGCPSA-N 2 0 491.984 -1.111 20 0 JAADRP CN(C)c1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438543 1067332466 /nfs/dbraw/zinc/33/24/66/1067332466.db2.gz DSFNOVILJOCMSM-GJZGRUSLSA-N 2 0 460.543 -2.187 20 0 JAADRP CCOC(=O)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438551 1067332752 /nfs/dbraw/zinc/33/27/52/1067332752.db2.gz FDMMRMHORKBCGB-RDJZCZTQSA-N 2 0 488.549 -1.471 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ncccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438559 1067333316 /nfs/dbraw/zinc/33/33/16/1067333316.db2.gz FLPXLPWJAZFPHV-WMZOPIPTSA-N 2 0 467.534 -1.099 20 0 JAADRP CN(C)C(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438562 1067333430 /nfs/dbraw/zinc/33/34/30/1067333430.db2.gz FQDSUDINAYHIGL-IRXDYDNUSA-N 2 0 487.565 -1.946 20 0 JAADRP COc1ncnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163438699 1067332708 /nfs/dbraw/zinc/33/27/08/1067332708.db2.gz KSPMUMAVXQRUOT-GJZGRUSLSA-N 2 0 461.527 -1.936 20 0 JAADRP CCCc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438704 1067333067 /nfs/dbraw/zinc/33/30/67/1067333067.db2.gz KVSXLLIZSIOUPB-RDJZCZTQSA-N 2 0 459.555 -1.300 20 0 JAADRP Cc1nc2c(c(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)n1)CCC2 ZINC001163438710 1067333121 /nfs/dbraw/zinc/33/31/21/1067333121.db2.gz LBUCRSHAMXZLPZ-WMZOPIPTSA-N 2 0 471.566 -1.455 20 0 JAADRP CCc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438719 1067333010 /nfs/dbraw/zinc/33/30/10/1067333010.db2.gz LGGPEBKOLSDOBM-HOTGVXAUSA-N 2 0 459.555 -1.382 20 0 JAADRP CSc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438723 1067333456 /nfs/dbraw/zinc/33/34/56/1067333456.db2.gz LIXOPZKLOKCWEZ-GJZGRUSLSA-N 2 0 463.568 -1.531 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3ncsc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438725 1067333093 /nfs/dbraw/zinc/33/30/93/1067333093.db2.gz LLTDAWUOTALOIV-ZFWWWQNUSA-N 2 0 473.563 -1.038 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3ncsc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438726 1067332977 /nfs/dbraw/zinc/33/29/77/1067332977.db2.gz LMXLOXDWJMMMHG-STQMWFEESA-N 2 0 474.551 -1.643 20 0 JAADRP CCOC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438738 1067333038 /nfs/dbraw/zinc/33/30/38/1067333038.db2.gz GDNCLEYOWNHVCK-IRXDYDNUSA-N 2 0 488.549 -1.471 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccncc3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438744 1067333260 /nfs/dbraw/zinc/33/32/60/1067333260.db2.gz LRDNJBBDRBMHCP-HKUYNNGSSA-N 2 0 494.560 -1.191 20 0 JAADRP COCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438783 1067333179 /nfs/dbraw/zinc/33/31/79/1067333179.db2.gz GQBMBLVIYJBTJN-HOTGVXAUSA-N 2 0 461.527 -2.106 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cnccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438788 1067333404 /nfs/dbraw/zinc/33/34/04/1067333404.db2.gz GRYZWHUUFNYJKR-HOTGVXAUSA-N 2 0 468.522 -1.704 20 0 JAADRP COc1cc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438789 1067333148 /nfs/dbraw/zinc/33/31/48/1067333148.db2.gz MENMBVLHPBHPBE-HOTGVXAUSA-N 2 0 460.539 -1.331 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(-c3ccccn3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438813 1067333481 /nfs/dbraw/zinc/33/34/81/1067333481.db2.gz MKVRHWOCDDUNBW-LPHOPBHVSA-N 2 0 494.560 -1.191 20 0 JAADRP CCc1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438819 1067333501 /nfs/dbraw/zinc/33/35/01/1067333501.db2.gz MLPLUSFMQRTJFR-GJZGRUSLSA-N 2 0 479.973 -1.037 20 0 JAADRP CCOC(=O)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438822 1067334098 /nfs/dbraw/zinc/33/40/98/1067334098.db2.gz MLQAQBBLZADGGD-GJZGRUSLSA-N 2 0 489.537 -2.076 20 0 JAADRP CC(C)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438838 1067333933 /nfs/dbraw/zinc/33/39/33/1067333933.db2.gz MSVRDVKUFHNJKE-IRXDYDNUSA-N 2 0 459.555 -1.129 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc(Cl)cc2F)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438850 1067333746 /nfs/dbraw/zinc/33/37/46/1067333746.db2.gz MYHYJOOUKXIVTD-STQMWFEESA-N 2 0 469.909 -1.460 20 0 JAADRP COc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438856 1067333963 /nfs/dbraw/zinc/33/39/63/1067333963.db2.gz NFPZBCWTFHIYSY-GJZGRUSLSA-N 2 0 461.527 -1.936 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc3ccccc3nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438857 1067333622 /nfs/dbraw/zinc/33/36/22/1067333622.db2.gz NGNXEBSSADTZGX-WMZOPIPTSA-N 2 0 467.534 -1.099 20 0 JAADRP CCOc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438872 1067333821 /nfs/dbraw/zinc/33/38/21/1067333821.db2.gz NZZMHZHDURFUBV-HOTGVXAUSA-N 2 0 460.539 -1.249 20 0 JAADRP Cc1nc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2n1C ZINC001163438874 1067334069 /nfs/dbraw/zinc/33/40/69/1067334069.db2.gz OAIOWYXWZPOHOP-RDJZCZTQSA-N 2 0 484.565 -1.452 20 0 JAADRP COCc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438875 1067333769 /nfs/dbraw/zinc/33/37/69/1067333769.db2.gz HMHSQJACHFEERP-IRXDYDNUSA-N 2 0 460.539 -1.501 20 0 JAADRP COC(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438885 1067333858 /nfs/dbraw/zinc/33/38/58/1067333858.db2.gz HVJHVKZUDIZEJV-HOTGVXAUSA-N 2 0 474.522 -1.861 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nnc3ccccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438890 1067334045 /nfs/dbraw/zinc/33/40/45/1067334045.db2.gz OIPJZIVRYFAWAR-YOEHRIQHSA-N 2 0 468.522 -1.704 20 0 JAADRP Cn1cnc2c1ccnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438892 1067333668 /nfs/dbraw/zinc/33/36/68/1067333668.db2.gz HXUZSBKHQFTLCF-GJZGRUSLSA-N 2 0 470.538 -1.761 20 0 JAADRP CCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163438896 1067333841 /nfs/dbraw/zinc/33/38/41/1067333841.db2.gz OLPUSJGRPZPVPN-IRXDYDNUSA-N 2 0 459.555 -1.382 20 0 JAADRP CC(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438898 1067334340 /nfs/dbraw/zinc/33/43/40/1067334340.db2.gz HYUQSDITVGAEOS-RDJZCZTQSA-N 2 0 459.555 -1.129 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3cccnc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438917 1067334658 /nfs/dbraw/zinc/33/46/58/1067334658.db2.gz IPROASLKMVLEQF-IRXDYDNUSA-N 2 0 467.534 -1.099 20 0 JAADRP COc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc2ccccc21 ZINC001163438923 1067334376 /nfs/dbraw/zinc/33/43/76/1067334376.db2.gz OZFLOLKXCMZBQG-WMZOPIPTSA-N 2 0 497.560 -1.091 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc(N3CCCC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438936 1067334612 /nfs/dbraw/zinc/33/46/12/1067334612.db2.gz JIWHGCBMHQXHTL-IRXDYDNUSA-N 2 0 486.581 -1.652 20 0 JAADRP COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163438938 1067334584 /nfs/dbraw/zinc/33/45/84/1067334584.db2.gz JJQFTBVWEXKHOD-IRXDYDNUSA-N 2 0 488.549 -1.553 20 0 JAADRP CCOC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163438944 1067334282 /nfs/dbraw/zinc/33/42/82/1067334282.db2.gz JUTLOFMPSXZFQI-HOCLYGCPSA-N 2 0 489.537 -2.076 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncnc2Cl)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438948 1067334485 /nfs/dbraw/zinc/33/44/85/1067334485.db2.gz KFGPEMUKRDWSHL-STQMWFEESA-N 2 0 451.919 -1.599 20 0 JAADRP COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163438949 1067334322 /nfs/dbraw/zinc/33/43/22/1067334322.db2.gz KFYAOWUJZZLFBY-KBPBESRZSA-N 2 0 475.510 -2.466 20 0 JAADRP COc1ccc2ncnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)c2c1 ZINC001163438950 1067334302 /nfs/dbraw/zinc/33/43/02/1067334302.db2.gz KHPWGISWECQQTA-HKUYNNGSSA-N 2 0 497.560 -1.091 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3cccnc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163438956 1067334560 /nfs/dbraw/zinc/33/45/60/1067334560.db2.gz KQENHKHXPVABHN-HOCLYGCPSA-N 2 0 468.522 -1.704 20 0 JAADRP CN(C)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438958 1067334639 /nfs/dbraw/zinc/33/46/39/1067334639.db2.gz KSGVFQWPRSGGOM-GJZGRUSLSA-N 2 0 460.543 -2.187 20 0 JAADRP CCN(C)c1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438961 1067334437 /nfs/dbraw/zinc/33/44/37/1067334437.db2.gz KUECFKGZSGUARV-IRXDYDNUSA-N 2 0 488.597 -1.488 20 0 JAADRP COc1ncc(Cl)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439118 1067334414 /nfs/dbraw/zinc/33/44/14/1067334414.db2.gz OZZXKSNEJNWLRI-KBPBESRZSA-N 2 0 481.945 -1.591 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3c(n2)CCCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439130 1067335027 /nfs/dbraw/zinc/33/50/27/1067335027.db2.gz PFIXCVIIXQFLFS-WMZOPIPTSA-N 2 0 471.566 -1.374 20 0 JAADRP CCOC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163439136 1067334848 /nfs/dbraw/zinc/33/48/48/1067334848.db2.gz PJTGYUAXAIZKTM-GJZGRUSLSA-N 2 0 489.537 -2.076 20 0 JAADRP COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1C ZINC001163439137 1067335193 /nfs/dbraw/zinc/33/51/93/1067335193.db2.gz PKOSVDMPFWTZSG-IRXDYDNUSA-N 2 0 488.549 -1.553 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(C3CC3)nn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439149 1067335280 /nfs/dbraw/zinc/33/52/80/1067335280.db2.gz PTPAYRZCVPACQI-RDJZCZTQSA-N 2 0 457.539 -1.375 20 0 JAADRP CCOc1c(Cl)ncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439154 1067335080 /nfs/dbraw/zinc/33/50/80/1067335080.db2.gz PUHXUTRCSIYICW-KBPBESRZSA-N 2 0 495.972 -1.201 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccc3cnccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439158 1067334872 /nfs/dbraw/zinc/33/48/72/1067334872.db2.gz PXGAWDDXBCUORP-ROUUACIJSA-N 2 0 467.534 -1.099 20 0 JAADRP CCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439179 1067334823 /nfs/dbraw/zinc/33/48/23/1067334823.db2.gz LBPPPKACAAHOOD-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP COC(=O)Cc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439182 1067335138 /nfs/dbraw/zinc/33/51/38/1067335138.db2.gz LGQSKWIOSHYVPL-IRXDYDNUSA-N 2 0 488.549 -1.932 20 0 JAADRP COc1ccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2c1 ZINC001163439201 1067335052 /nfs/dbraw/zinc/33/50/52/1067335052.db2.gz LNOFPWNQIGVADK-HKUYNNGSSA-N 2 0 497.560 -1.091 20 0 JAADRP CCCc1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439208 1067335235 /nfs/dbraw/zinc/33/52/35/1067335235.db2.gz LVWSMNOZGKWHOE-IRXDYDNUSA-N 2 0 459.555 -1.300 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc3c2COC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439212 1067335105 /nfs/dbraw/zinc/33/51/05/1067335105.db2.gz MBDTWNXCCKKVSL-KBPBESRZSA-N 2 0 493.956 -1.569 20 0 JAADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C2CC2)n1 ZINC001163439226 1067334899 /nfs/dbraw/zinc/33/48/99/1067334899.db2.gz QKWJCSVEBYOEDR-IRXDYDNUSA-N 2 0 471.566 -1.067 20 0 JAADRP CCOc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439246 1067335538 /nfs/dbraw/zinc/33/55/38/1067335538.db2.gz MDYVXGXGNDVPOG-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP C[NH+](C)Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439247 1067335752 /nfs/dbraw/zinc/33/57/52/1067335752.db2.gz QURUDFLRNPHQBL-ROUUACIJSA-N 3 0 473.582 -1.586 20 0 JAADRP CSc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439286 1067335710 /nfs/dbraw/zinc/33/57/10/1067335710.db2.gz RFDDEMLQUIHUSO-KBPBESRZSA-N 2 0 463.568 -1.531 20 0 JAADRP COc1cccc2cnc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439295 1067335694 /nfs/dbraw/zinc/33/56/94/1067335694.db2.gz RIUWSNZPHFMGKH-IRXDYDNUSA-N 2 0 497.560 -1.091 20 0 JAADRP CSc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439297 1067335480 /nfs/dbraw/zinc/33/54/80/1067335480.db2.gz MTIPWSZUPPUPQC-KBPBESRZSA-N 2 0 463.568 -1.531 20 0 JAADRP COC(=O)c1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439299 1067335451 /nfs/dbraw/zinc/33/54/51/1067335451.db2.gz MTWFLDISRCXFSR-IRXDYDNUSA-N 2 0 488.549 -1.553 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(C[NH+]3CCCC3)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439303 1067335512 /nfs/dbraw/zinc/33/55/12/1067335512.db2.gz RKZWLTLTCUAWHO-PMACEKPBSA-N 3 0 499.620 -1.052 20 0 JAADRP CN(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439304 1067335565 /nfs/dbraw/zinc/33/55/65/1067335565.db2.gz MUUCBIYSHDWKGH-GJZGRUSLSA-N 2 0 460.543 -2.187 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(OCC3CC3)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439323 1067335860 /nfs/dbraw/zinc/33/58/60/1067335860.db2.gz ROQMAJKUFLUYMQ-IRXDYDNUSA-N 2 0 487.565 -1.464 20 0 JAADRP Cc1nc2ccoc2c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439329 1067335833 /nfs/dbraw/zinc/33/58/33/1067335833.db2.gz NGZJGWCUYJOLRP-HOCLYGCPSA-N 2 0 471.522 -1.198 20 0 JAADRP CC(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439334 1067335646 /nfs/dbraw/zinc/33/56/46/1067335646.db2.gz RUFYSTCPTVINNV-RDJZCZTQSA-N 2 0 459.555 -1.129 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439338 1067335424 /nfs/dbraw/zinc/33/54/24/1067335424.db2.gz NJXYEANFBQJYAT-STQMWFEESA-N 2 0 451.919 -1.599 20 0 JAADRP COc1ccc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439353 1067335730 /nfs/dbraw/zinc/33/57/30/1067335730.db2.gz SBXFYAWQNRMUGO-HOTGVXAUSA-N 2 0 460.539 -1.331 20 0 JAADRP CCOc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439366 1067335813 /nfs/dbraw/zinc/33/58/13/1067335813.db2.gz SLAKMVFVZJNGSC-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP COc1nc2ccccc2nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439375 1067335792 /nfs/dbraw/zinc/33/57/92/1067335792.db2.gz NTZGTORELSLAGW-YJBOKZPZSA-N 2 0 497.560 -1.091 20 0 JAADRP CN(C)C(=O)c1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439384 1067335591 /nfs/dbraw/zinc/33/55/91/1067335591.db2.gz SPAHKMSIWJNWIF-GJZGRUSLSA-N 2 0 488.553 -2.551 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc(Cl)cn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439386 1067335616 /nfs/dbraw/zinc/33/56/16/1067335616.db2.gz NUYKWKMRHQWKCQ-KBPBESRZSA-N 2 0 451.919 -1.599 20 0 JAADRP Cn1c(=O)ccc2ccc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc21 ZINC001163439393 1067336155 /nfs/dbraw/zinc/33/61/55/1067336155.db2.gz SRMAVFRJIBMBQV-IRXDYDNUSA-N 2 0 497.560 -1.796 20 0 JAADRP COC(=O)c1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439412 1067336174 /nfs/dbraw/zinc/33/61/74/1067336174.db2.gz UFZHAIMFLVONRS-GJZGRUSLSA-N 2 0 475.510 -2.466 20 0 JAADRP COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(C)n1 ZINC001163439415 1067336241 /nfs/dbraw/zinc/33/62/41/1067336241.db2.gz UKNDLTHLBSGFSE-GJZGRUSLSA-N 2 0 461.527 -1.936 20 0 JAADRP CSc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439439 1067336139 /nfs/dbraw/zinc/33/61/39/1067336139.db2.gz OTJASFCULAVKJR-KBPBESRZSA-N 2 0 463.568 -1.531 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3ccccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439440 1067336098 /nfs/dbraw/zinc/33/60/98/1067336098.db2.gz OTWCWOGLFWYALC-YJBOKZPZSA-N 2 0 467.534 -1.099 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nc(Cl)nc(Cl)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439441 1067336332 /nfs/dbraw/zinc/33/63/32/1067336332.db2.gz OUPBPPQWZZUKGA-QWRGUYRKSA-N 2 0 487.352 -1.551 20 0 JAADRP CN(C)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439444 1067336121 /nfs/dbraw/zinc/33/61/21/1067336121.db2.gz OXDXGUBYDILSNK-GJZGRUSLSA-N 2 0 460.543 -2.187 20 0 JAADRP CCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439446 1067336413 /nfs/dbraw/zinc/33/64/13/1067336413.db2.gz OZIYBSUEATZMRR-IRXDYDNUSA-N 2 0 460.539 -1.249 20 0 JAADRP COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439450 1067336274 /nfs/dbraw/zinc/33/62/74/1067336274.db2.gz PBVRWWNTXZIWKY-GJZGRUSLSA-N 2 0 475.510 -2.466 20 0 JAADRP COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439459 1067336051 /nfs/dbraw/zinc/33/60/51/1067336051.db2.gz PHAQWDIRVBBPTL-ZFWWWQNUSA-N 2 0 475.510 -2.466 20 0 JAADRP CCOc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439468 1067336220 /nfs/dbraw/zinc/33/62/20/1067336220.db2.gz PLDITLPMYAOEGT-KBPBESRZSA-N 2 0 495.972 -1.201 20 0 JAADRP COCOc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439513 1067336437 /nfs/dbraw/zinc/33/64/37/1067336437.db2.gz ULEKKOIYPQNDMU-IRXDYDNUSA-N 2 0 476.538 -1.665 20 0 JAADRP Cc1cnc2c(ccnc2-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439522 1067336384 /nfs/dbraw/zinc/33/63/84/1067336384.db2.gz ULKDFPSZKIRLEI-RDJZCZTQSA-N 2 0 482.549 -1.396 20 0 JAADRP CC(C)Oc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439548 1067336491 /nfs/dbraw/zinc/33/64/91/1067336491.db2.gz UYENKOZJOMLYAH-HOTGVXAUSA-N 2 0 475.554 -1.465 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(N3CCCC3)cc[nH+]2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439561 1067336033 /nfs/dbraw/zinc/33/60/33/1067336033.db2.gz VKBVRPZVPNFMCX-OALUTQOASA-N 3 0 485.593 -1.047 20 0 JAADRP CCOc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439586 1067336196 /nfs/dbraw/zinc/33/61/96/1067336196.db2.gz PVGGSRYVOZBVKJ-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ncccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439590 1067336302 /nfs/dbraw/zinc/33/63/02/1067336302.db2.gz PYBDLWJTMOFHLE-HOTGVXAUSA-N 2 0 468.522 -1.704 20 0 JAADRP CSc1nc(C)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439593 1067337048 /nfs/dbraw/zinc/33/70/48/1067337048.db2.gz QAQLXTUCMVDGCA-GJZGRUSLSA-N 2 0 477.595 -1.222 20 0 JAADRP CCOC(=O)c1nccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439599 1067337064 /nfs/dbraw/zinc/33/70/64/1067337064.db2.gz WDYLNCLFMQWCHX-GJZGRUSLSA-N 2 0 489.537 -2.076 20 0 JAADRP CCOc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439614 1067337005 /nfs/dbraw/zinc/33/70/05/1067337005.db2.gz WRTYDIUHQYIZHU-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP COc1ccc2ncc(-n3cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c3)nc2c1 ZINC001163439623 1067336937 /nfs/dbraw/zinc/33/69/37/1067336937.db2.gz WVBFJNLTHNRRCR-LPHOPBHVSA-N 2 0 497.560 -1.091 20 0 JAADRP COC(=O)c1ccc(C)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439624 1067336745 /nfs/dbraw/zinc/33/67/45/1067336745.db2.gz QEXNMCUKJPETMW-IRXDYDNUSA-N 2 0 488.549 -1.553 20 0 JAADRP COC(=O)c1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(F)c1 ZINC001163439627 1067336631 /nfs/dbraw/zinc/33/66/31/1067336631.db2.gz QFQPHYGZYXILKO-HOTGVXAUSA-N 2 0 492.512 -1.722 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncc3cccnc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439630 1067336882 /nfs/dbraw/zinc/33/68/82/1067336882.db2.gz WZBNWAZVVBNGMO-HOTGVXAUSA-N 2 0 468.522 -1.704 20 0 JAADRP C[N@H+](Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1)C1CC1 ZINC001163439631 1067337088 /nfs/dbraw/zinc/33/70/88/1067337088.db2.gz WZZXTTQJOGTPCG-PMACEKPBSA-N 3 0 499.620 -1.053 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3ncccc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439637 1067336772 /nfs/dbraw/zinc/33/67/72/1067336772.db2.gz QKKCZWCWUMMNLB-YJBOKZPZSA-N 2 0 467.534 -1.099 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc(C3CC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439652 1067337112 /nfs/dbraw/zinc/33/71/12/1067337112.db2.gz XOVQDCPTBZVQHB-HOTGVXAUSA-N 2 0 457.539 -1.375 20 0 JAADRP CCOC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439654 1067336962 /nfs/dbraw/zinc/33/69/62/1067336962.db2.gz QSEBNBFVTDFOJC-GJZGRUSLSA-N 2 0 489.537 -2.076 20 0 JAADRP COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439674 1067337027 /nfs/dbraw/zinc/33/70/27/1067337027.db2.gz RDRNCZAHLGJPML-KBPBESRZSA-N 2 0 475.510 -2.466 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(Cl)c[n+]2[O-])cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439682 1067336911 /nfs/dbraw/zinc/33/69/11/1067336911.db2.gz YDQYTPIVKLGSCA-GJZGRUSLSA-N 2 0 466.930 -1.756 20 0 JAADRP COC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439691 1067336857 /nfs/dbraw/zinc/33/68/57/1067336857.db2.gz RKAPQZMKPNFSQY-ZFWWWQNUSA-N 2 0 475.510 -2.466 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cncc(N3CCCC3)n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439702 1067337546 /nfs/dbraw/zinc/33/75/46/1067337546.db2.gz YOGYATWIYPFTKP-IRXDYDNUSA-N 2 0 486.581 -1.652 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2nccnc2OC2CCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439705 1067337433 /nfs/dbraw/zinc/33/74/33/1067337433.db2.gz YRSCIGPTKVIYIT-IRXDYDNUSA-N 2 0 487.565 -1.321 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(F)c[n+]2[O-])cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439706 1067337593 /nfs/dbraw/zinc/33/75/93/1067337593.db2.gz RSDWUISVHYAYCI-GJZGRUSLSA-N 2 0 450.475 -2.270 20 0 JAADRP Cc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439712 1067337725 /nfs/dbraw/zinc/33/77/25/1067337725.db2.gz RSPIGRRDYQYXIN-KBPBESRZSA-N 2 0 465.946 -1.291 20 0 JAADRP CCOc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439714 1067337374 /nfs/dbraw/zinc/33/73/74/1067337374.db2.gz RSQVRLARFVYAMP-HOTGVXAUSA-N 2 0 461.527 -1.854 20 0 JAADRP COc1nc(Cl)nc(C)c1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439715 1067337567 /nfs/dbraw/zinc/33/75/67/1067337567.db2.gz YZIBHCUVDHLOJG-KBPBESRZSA-N 2 0 495.972 -1.282 20 0 JAADRP COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc(SC)n1 ZINC001163439717 1067337302 /nfs/dbraw/zinc/33/73/02/1067337302.db2.gz ZAYOLHHIECXHPD-KBPBESRZSA-N 2 0 493.594 -1.522 20 0 JAADRP COc1cc(OC)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439719 1067337328 /nfs/dbraw/zinc/33/73/28/1067337328.db2.gz ZBXXSZDPSDWBKY-HOTGVXAUSA-N 2 0 476.538 -1.630 20 0 JAADRP Cc1nc(N(C)C)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439720 1067337687 /nfs/dbraw/zinc/33/76/87/1067337687.db2.gz RVCVFZFQFCAUDM-HOTGVXAUSA-N 2 0 474.570 -1.878 20 0 JAADRP COc1nc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1C ZINC001163439730 1067337519 /nfs/dbraw/zinc/33/75/19/1067337519.db2.gz ZHNRCRJZXVDSLC-HOTGVXAUSA-N 2 0 475.554 -1.627 20 0 JAADRP CS(=O)(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439731 1067337251 /nfs/dbraw/zinc/33/72/51/1067337251.db2.gz RWVKZCJPDDIWBV-GJZGRUSLSA-N 2 0 494.578 -2.244 20 0 JAADRP COc1cnnc(Cl)c1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439734 1067337637 /nfs/dbraw/zinc/33/76/37/1067337637.db2.gz ZMLQPCAJNDOVFU-STQMWFEESA-N 2 0 481.945 -1.591 20 0 JAADRP CCOc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439739 1067337664 /nfs/dbraw/zinc/33/76/64/1067337664.db2.gz ZSDOXJCAMLTWGW-GJZGRUSLSA-N 2 0 461.527 -1.854 20 0 JAADRP CCN(CC)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439740 1067337496 /nfs/dbraw/zinc/33/74/96/1067337496.db2.gz ZSPAPSITWFEXAJ-IRXDYDNUSA-N 2 0 488.597 -1.406 20 0 JAADRP CCN(C)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439743 1067337615 /nfs/dbraw/zinc/33/76/15/1067337615.db2.gz SFWLIPIVEINPMF-HOTGVXAUSA-N 2 0 474.570 -1.797 20 0 JAADRP COC(=O)c1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439762 1067337928 /nfs/dbraw/zinc/33/79/28/1067337928.db2.gz TVKUCYPKROKODJ-KBPBESRZSA-N 2 0 475.510 -2.466 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccccc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439763 1067338217 /nfs/dbraw/zinc/33/82/17/1067338217.db2.gz TVPFZABSNOSVDH-WMZOPIPTSA-N 2 0 467.534 -1.099 20 0 JAADRP CN(C)c1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439769 1067338191 /nfs/dbraw/zinc/33/81/91/1067338191.db2.gz UBHBIBWCOALKQH-KBPBESRZSA-N 2 0 494.988 -1.533 20 0 JAADRP COC(=O)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163439780 1067338171 /nfs/dbraw/zinc/33/81/71/1067338171.db2.gz UOEGQHMCIFIQGH-HOTGVXAUSA-N 2 0 492.512 -1.722 20 0 JAADRP CN(C)c1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439782 1067337851 /nfs/dbraw/zinc/33/78/51/1067337851.db2.gz UPCOGMXBPYRLPO-HOTGVXAUSA-N 2 0 459.555 -1.582 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cccc(Cl)[n+]2[O-])cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439784 1067338049 /nfs/dbraw/zinc/33/80/49/1067338049.db2.gz USFOWBIBPRDXBB-KBPBESRZSA-N 2 0 466.930 -1.756 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccnc3ccnn32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439788 1067337879 /nfs/dbraw/zinc/33/78/79/1067337879.db2.gz VCUNDBYBTWZXSY-GJZGRUSLSA-N 2 0 456.511 -2.000 20 0 JAADRP Cn1ccc2c1cc[nH+]c2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439797 1067338106 /nfs/dbraw/zinc/33/81/06/1067338106.db2.gz VIYFGNMPLDASNP-IRXDYDNUSA-N 3 0 469.550 -1.156 20 0 JAADRP COc1cccc2c1ncnc2-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439801 1067338069 /nfs/dbraw/zinc/33/80/69/1067338069.db2.gz VMINBLNDCSERDB-IRXDYDNUSA-N 2 0 497.560 -1.091 20 0 JAADRP COC(=O)c1cc(F)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439803 1067337954 /nfs/dbraw/zinc/33/79/54/1067337954.db2.gz VNBYRCUMICTDNS-HOTGVXAUSA-N 2 0 492.512 -1.722 20 0 JAADRP COc1nc(Cl)cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439804 1067337977 /nfs/dbraw/zinc/33/79/77/1067337977.db2.gz VNIFDQIRAGZNAO-STQMWFEESA-N 2 0 481.945 -1.591 20 0 JAADRP Cc1cc(Cl)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439806 1067338000 /nfs/dbraw/zinc/33/80/00/1067338000.db2.gz VQGWQKWOHMNPQT-KBPBESRZSA-N 2 0 465.946 -1.291 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cnc3cccnc3n2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439811 1067338273 /nfs/dbraw/zinc/33/82/73/1067338273.db2.gz VVVCYYWQPQOANG-HOCLYGCPSA-N 2 0 468.522 -1.704 20 0 JAADRP CC(C)c1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163439813 1067337822 /nfs/dbraw/zinc/33/78/22/1067337822.db2.gz VZPKQUPYYLWHHB-RDJZCZTQSA-N 2 0 459.555 -1.129 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(Cl)ncn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439816 1067338143 /nfs/dbraw/zinc/33/81/43/1067338143.db2.gz WCVGKGHMINRLDL-STQMWFEESA-N 2 0 451.919 -1.599 20 0 JAADRP CCOc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439829 1067338247 /nfs/dbraw/zinc/33/82/47/1067338247.db2.gz WNPJNBBFMFOJAO-HOTGVXAUSA-N 2 0 460.539 -1.249 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3ccsc32)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439835 1067337902 /nfs/dbraw/zinc/33/79/02/1067337902.db2.gz WZGICUIHXYJZJS-ZFWWWQNUSA-N 2 0 473.563 -1.038 20 0 JAADRP Cc1nnc(Cl)cc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439840 1067338685 /nfs/dbraw/zinc/33/86/85/1067338685.db2.gz XFKFPJNJKHKYAI-KBPBESRZSA-N 2 0 465.946 -1.291 20 0 JAADRP COc1cnc(Cl)nc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439843 1067338826 /nfs/dbraw/zinc/33/88/26/1067338826.db2.gz XIISRZOHJDYYKZ-STQMWFEESA-N 2 0 481.945 -1.591 20 0 JAADRP CCOC(=O)c1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439853 1067338729 /nfs/dbraw/zinc/33/87/29/1067338729.db2.gz XXVPKPLZOGMFCP-IRXDYDNUSA-N 2 0 488.549 -1.471 20 0 JAADRP CCOC(=O)c1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163439864 1067338523 /nfs/dbraw/zinc/33/85/23/1067338523.db2.gz YIQJZZPGYBZASE-IRXDYDNUSA-N 2 0 488.549 -1.471 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc3c(n2)CCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439870 1067338501 /nfs/dbraw/zinc/33/85/01/1067338501.db2.gz YWHMBBUGDLKWDO-WMZOPIPTSA-N 2 0 456.551 -1.159 20 0 JAADRP COC(=O)c1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439875 1067338637 /nfs/dbraw/zinc/33/86/37/1067338637.db2.gz ZHXRDLFLJDGOOA-HOTGVXAUSA-N 2 0 474.522 -1.861 20 0 JAADRP COc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439882 1067338606 /nfs/dbraw/zinc/33/86/06/1067338606.db2.gz ZPBQBOMPFANBAA-GJZGRUSLSA-N 2 0 461.527 -1.936 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncnc3c2CCC3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439885 1067338752 /nfs/dbraw/zinc/33/87/52/1067338752.db2.gz ZQAVERLBDVFGBX-RDJZCZTQSA-N 2 0 457.539 -1.764 20 0 JAADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001169122580 1067106484 /nfs/dbraw/zinc/10/64/84/1067106484.db2.gz ASIQYUHQMFGYCM-JKEDJMADSA-N 3 0 462.599 -1.234 20 0 JAADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001169122581 1067106354 /nfs/dbraw/zinc/10/63/54/1067106354.db2.gz ASIQYUHQMFGYCM-PJVZLEMVSA-N 3 0 462.599 -1.234 20 0 JAADRP CC[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001169244701 1067107178 /nfs/dbraw/zinc/10/71/78/1067107178.db2.gz RTAWUNGBITZUKJ-ROUUACIJSA-N 3 0 450.588 -1.375 20 0 JAADRP CCOC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369391 1067107323 /nfs/dbraw/zinc/10/73/23/1067107323.db2.gz WZQZGTYMRBHTQH-OWSLCNJRSA-N 2 0 495.581 -1.749 20 0 JAADRP CCOC(=O)[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369392 1067107469 /nfs/dbraw/zinc/10/74/69/1067107469.db2.gz WZQZGTYMRBHTQH-VSZNYVQBSA-N 2 0 495.581 -1.749 20 0 JAADRP CCOC(=O)[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369393 1067107966 /nfs/dbraw/zinc/10/79/66/1067107966.db2.gz WZQZGTYMRBHTQH-XLAORIBOSA-N 2 0 495.581 -1.749 20 0 JAADRP CCOC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001169369394 1067107993 /nfs/dbraw/zinc/10/79/93/1067107993.db2.gz WZQZGTYMRBHTQH-XSLAGTTESA-N 2 0 495.581 -1.749 20 0 JAADRP CCN(CC)C(=O)C[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169456279 1067108444 /nfs/dbraw/zinc/10/84/44/1067108444.db2.gz IKASEKUIFCQFDE-NJAFHUGGSA-N 2 0 480.614 -1.212 20 0 JAADRP CCN(CC)C(=O)C[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001169456281 1067108338 /nfs/dbraw/zinc/10/83/38/1067108338.db2.gz IKASEKUIFCQFDE-SZMVWBNQSA-N 2 0 480.614 -1.212 20 0 JAADRP CC(=O)N1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169535980 1067108536 /nfs/dbraw/zinc/10/85/36/1067108536.db2.gz ZYKLZALHRQXIAX-IKGGRYGDSA-N 2 0 450.544 -2.239 20 0 JAADRP CC(=O)N1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169535981 1067108148 /nfs/dbraw/zinc/10/81/48/1067108148.db2.gz ZYKLZALHRQXIAX-ULQDDVLXSA-N 2 0 450.544 -2.239 20 0 JAADRP CC(=O)N1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169596006 1067108517 /nfs/dbraw/zinc/10/85/17/1067108517.db2.gz BYZLTBJNAJXTGQ-BZSNNMDCSA-N 2 0 464.571 -1.848 20 0 JAADRP CC(=O)N1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001169596019 1067108302 /nfs/dbraw/zinc/10/83/02/1067108302.db2.gz BYZLTBJNAJXTGQ-SQNIBIBYSA-N 2 0 464.571 -1.848 20 0 JAADRP CS(=O)(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001169870897 1067109531 /nfs/dbraw/zinc/10/95/31/1067109531.db2.gz NUFOXHTXHZWANR-FOIPXRHGSA-N 2 0 499.638 -1.504 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCC3(C2)OCCO3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001169937560 1067109340 /nfs/dbraw/zinc/10/93/40/1067109340.db2.gz WHMCGPKZQOZWTJ-BZSNNMDCSA-N 2 0 479.582 -1.174 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCC3(C2)OCCO3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001169937562 1067109242 /nfs/dbraw/zinc/10/92/42/1067109242.db2.gz WHMCGPKZQOZWTJ-SQNIBIBYSA-N 2 0 479.582 -1.174 20 0 JAADRP COC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170540922 1067113361 /nfs/dbraw/zinc/11/33/61/1067113361.db2.gz WHVYFEDFFZAACW-IWCQGFGOSA-N 2 0 465.555 -1.518 20 0 JAADRP COC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170540923 1067113254 /nfs/dbraw/zinc/11/32/54/1067113254.db2.gz WHVYFEDFFZAACW-SIXLDLHFSA-N 2 0 465.555 -1.518 20 0 JAADRP CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]([NH3+])CCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170904397 1067116732 /nfs/dbraw/zinc/11/67/32/1067116732.db2.gz BITZUDPBPRBJGA-ORDFZIBCSA-N 2 0 471.467 -1.292 20 0 JAADRP CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H]([NH3+])CCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170904399 1067116837 /nfs/dbraw/zinc/11/68/37/1067116837.db2.gz BITZUDPBPRBJGA-XSDHEKCYSA-N 2 0 471.467 -1.292 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN(C3CC3)C(=O)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172009157 1067145463 /nfs/dbraw/zinc/14/54/63/1067145463.db2.gz ZRHLKECLJPHNPQ-BZSNNMDCSA-N 2 0 476.582 -1.706 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN(C3CC3)C(=O)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172009158 1067146556 /nfs/dbraw/zinc/14/65/56/1067146556.db2.gz ZRHLKECLJPHNPQ-SQNIBIBYSA-N 2 0 476.582 -1.706 20 0 JAADRP CCN1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1=O ZINC001172043881 1067146391 /nfs/dbraw/zinc/14/63/91/1067146391.db2.gz SEXGRPKUWFTRIJ-IKGGRYGDSA-N 2 0 464.571 -1.848 20 0 JAADRP CCN1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1=O ZINC001172043882 1067146329 /nfs/dbraw/zinc/14/63/29/1067146329.db2.gz SEXGRPKUWFTRIJ-ULQDDVLXSA-N 2 0 464.571 -1.848 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN3C(=O)CC[C@@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172165991 1067146396 /nfs/dbraw/zinc/14/63/96/1067146396.db2.gz LGNAHRJLBZBQCD-BDXSIMOUSA-N 2 0 476.582 -1.706 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN3C(=O)CC[C@@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172165992 1067146525 /nfs/dbraw/zinc/14/65/25/1067146525.db2.gz LGNAHRJLBZBQCD-MHORFTMASA-N 2 0 476.582 -1.706 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCN3C(=O)CC[C@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172165993 1067146386 /nfs/dbraw/zinc/14/63/86/1067146386.db2.gz LGNAHRJLBZBQCD-OWSLCNJRSA-N 2 0 476.582 -1.706 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCN3C(=O)CC[C@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172165994 1067146348 /nfs/dbraw/zinc/14/63/48/1067146348.db2.gz LGNAHRJLBZBQCD-XSLAGTTESA-N 2 0 476.582 -1.706 20 0 JAADRP COCCC[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172249604 1067146370 /nfs/dbraw/zinc/14/63/70/1067146370.db2.gz LDIVWYDIQZXTLF-PMACEKPBSA-N 3 0 494.641 -1.358 20 0 JAADRP COC(=O)[C@@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611413 1067146320 /nfs/dbraw/zinc/14/63/20/1067146320.db2.gz NUDMANIFKLSDNN-BGTYHANMSA-N 2 0 479.582 -1.128 20 0 JAADRP COC(=O)[C@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611419 1067146304 /nfs/dbraw/zinc/14/63/04/1067146304.db2.gz NUDMANIFKLSDNN-DKIMLUQUSA-N 2 0 479.582 -1.128 20 0 JAADRP COC(=O)[C@H]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611420 1067146492 /nfs/dbraw/zinc/14/64/92/1067146492.db2.gz NUDMANIFKLSDNN-RANZSIQMSA-N 2 0 479.582 -1.128 20 0 JAADRP COC(=O)[C@@H]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001172611422 1067146342 /nfs/dbraw/zinc/14/63/42/1067146342.db2.gz NUDMANIFKLSDNN-UBDQQSCGSA-N 2 0 479.582 -1.128 20 0 JAADRP COC(=O)N1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001172737011 1067146409 /nfs/dbraw/zinc/14/64/09/1067146409.db2.gz WYNISCGQFVXPCY-IRXDYDNUSA-N 2 0 480.570 -1.629 20 0 JAADRP C[N@H+](CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)Cc1ccccc1 ZINC001181142272 1067172210 /nfs/dbraw/zinc/17/22/10/1067172210.db2.gz SNHPTKOMZCPBNC-UNFPFYSMSA-N 2 0 457.491 -1.085 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CC[NH+](C)CC1)C(N)=O ZINC001182037134 1067176215 /nfs/dbraw/zinc/17/62/15/1067176215.db2.gz WHIYOAZXVQBSPJ-BZSNNMDCSA-N 2 0 482.626 -1.326 20 0 JAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183575017 1067188698 /nfs/dbraw/zinc/18/86/98/1067188698.db2.gz ZHKHSVGYPNTALK-ZHEQBIBESA-N 2 0 469.502 -1.085 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@H+](C)CCN1C)C(N)=O ZINC001185270288 1067196157 /nfs/dbraw/zinc/19/61/57/1067196157.db2.gz YMTRBUUJYCWLFV-OKYOBFRVSA-N 2 0 481.642 -1.537 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@H+](C)CCN1C)C(N)=O ZINC001185270289 1067196058 /nfs/dbraw/zinc/19/60/58/1067196058.db2.gz YMTRBUUJYCWLFV-VJANTYMQSA-N 2 0 481.642 -1.537 20 0 JAADRP C[NH+](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 1067215485 /nfs/dbraw/zinc/21/54/85/1067215485.db2.gz WSRNLHSDNRPPPW-GFODJXLSSA-N 2 0 457.572 -1.323 20 0 JAADRP C[NH+](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 1067215565 /nfs/dbraw/zinc/21/55/65/1067215565.db2.gz WSRNLHSDNRPPPW-RHWCJKNGSA-N 2 0 457.572 -1.323 20 0 JAADRP C[NH+](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 1067215723 /nfs/dbraw/zinc/21/57/23/1067215723.db2.gz WSRNLHSDNRPPPW-VLLQHRMFSA-N 2 0 457.572 -1.323 20 0 JAADRP C[NH+](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 1067215545 /nfs/dbraw/zinc/21/55/45/1067215545.db2.gz WSRNLHSDNRPPPW-WUJJPXPXSA-N 2 0 457.572 -1.323 20 0 JAADRP Cn1c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(=O)n(C)c1=O ZINC001189439212 1067219738 /nfs/dbraw/zinc/21/97/38/1067219738.db2.gz AVRQEYVLCKKEKP-UXJWJQKUSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1c(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(=O)n(C)c1=O ZINC001189439213 1067219878 /nfs/dbraw/zinc/21/98/78/1067219878.db2.gz AVRQEYVLCKKEKP-WNFKFRIASA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(=O)n(C)c1=O ZINC001189439214 1067219895 /nfs/dbraw/zinc/21/98/95/1067219895.db2.gz AVRQEYVLCKKEKP-XBBGLNTFSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1c(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(=O)n(C)c1=O ZINC001189439215 1067219681 /nfs/dbraw/zinc/21/96/81/1067219681.db2.gz AVRQEYVLCKKEKP-YBLKDPSYSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1cc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001195545775 1067232075 /nfs/dbraw/zinc/23/20/75/1067232075.db2.gz WVYNNZXFHZCEFH-CYIYBZSJSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1cc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001195545776 1067231952 /nfs/dbraw/zinc/23/19/52/1067231952.db2.gz WVYNNZXFHZCEFH-GWDMKLBJSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1cc(C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001195545778 1067231983 /nfs/dbraw/zinc/23/19/83/1067231983.db2.gz WVYNNZXFHZCEFH-LHPOMGHCSA-N 2 0 455.556 -1.007 20 0 JAADRP Cn1cc(C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001195545779 1067232223 /nfs/dbraw/zinc/23/22/23/1067232223.db2.gz WVYNNZXFHZCEFH-NABCJPNMSA-N 2 0 455.556 -1.007 20 0 JAADRP Nc1cn(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619328 1067341008 /nfs/dbraw/zinc/34/10/08/1067341008.db2.gz FBURIWJSJBWWDK-RXVVDRJESA-N 2 0 472.546 -1.304 20 0 JAADRP Nc1cn(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218621509 1067341670 /nfs/dbraw/zinc/34/16/70/1067341670.db2.gz VXJYASSFZFJQDY-UHFFFAOYSA-N 2 0 450.500 -3.749 20 0 JAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770627 1067344506 /nfs/dbraw/zinc/34/45/06/1067344506.db2.gz JZCXAGAPFSRTJH-HOTGVXAUSA-N 2 0 462.555 -1.094 20 0 JAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781132 1067344937 /nfs/dbraw/zinc/34/49/37/1067344937.db2.gz PEJVKXDQUQTMHF-AGIUHOORSA-N 2 0 457.963 -1.111 20 0 JAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781140 1067345104 /nfs/dbraw/zinc/34/51/04/1067345104.db2.gz PEJVKXDQUQTMHF-AVGNSLFASA-N 2 0 457.963 -1.111 20 0 JAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781142 1067344992 /nfs/dbraw/zinc/34/49/92/1067344992.db2.gz PEJVKXDQUQTMHF-FRRDWIJNSA-N 2 0 457.963 -1.111 20 0 JAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781144 1067345258 /nfs/dbraw/zinc/34/52/58/1067345258.db2.gz PEJVKXDQUQTMHF-RWMBFGLXSA-N 2 0 457.963 -1.111 20 0 JAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782262 1067345157 /nfs/dbraw/zinc/34/51/57/1067345157.db2.gz UQKOEVAKYWMSFT-IPYPFGDCSA-N 2 0 477.957 -1.043 20 0 JAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782265 1067345083 /nfs/dbraw/zinc/34/50/83/1067345083.db2.gz UQKOEVAKYWMSFT-KCQAQPDRSA-N 2 0 477.957 -1.043 20 0 JAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782268 1067345176 /nfs/dbraw/zinc/34/51/76/1067345176.db2.gz UQKOEVAKYWMSFT-VNHYZAJKSA-N 2 0 477.957 -1.043 20 0 JAADRP Nc1ncn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782270 1067344866 /nfs/dbraw/zinc/34/48/66/1067344866.db2.gz UQKOEVAKYWMSFT-YDHLFZDLSA-N 2 0 477.957 -1.043 20 0 JAADRP C[C@H]([NH3+])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 1067344833 /nfs/dbraw/zinc/34/48/33/1067344833.db2.gz UEMFYKWZFDYCER-CYDGBPFRSA-N 2 0 455.947 -1.059 20 0 JAADRP C[C@H]([NH3+])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 1067345195 /nfs/dbraw/zinc/34/51/95/1067345195.db2.gz UEMFYKWZFDYCER-QNWHQSFQSA-N 2 0 455.947 -1.059 20 0 JAADRP C[C@H]([NH3+])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 1067345124 /nfs/dbraw/zinc/34/51/24/1067345124.db2.gz UEMFYKWZFDYCER-RNJOBUHISA-N 2 0 455.947 -1.059 20 0 JAADRP C[C@H]([NH3+])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 1067344889 /nfs/dbraw/zinc/34/48/89/1067344889.db2.gz UEMFYKWZFDYCER-ZDEQEGDKSA-N 2 0 455.947 -1.059 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218785777 1067345142 /nfs/dbraw/zinc/34/51/42/1067345142.db2.gz VCMSIZJAKLMFRX-CRWXNKLISA-N 2 0 482.973 -1.916 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218785778 1067345064 /nfs/dbraw/zinc/34/50/64/1067345064.db2.gz VCMSIZJAKLMFRX-RFQIPJPRSA-N 2 0 482.973 -1.916 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218785779 1067345239 /nfs/dbraw/zinc/34/52/39/1067345239.db2.gz VCMSIZJAKLMFRX-XDQVBPFNSA-N 2 0 482.973 -1.916 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218785780 1067345216 /nfs/dbraw/zinc/34/52/16/1067345216.db2.gz VCMSIZJAKLMFRX-XUXIUFHCSA-N 2 0 482.973 -1.916 20 0 JAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1Cl ZINC001218876422 1067345803 /nfs/dbraw/zinc/34/58/03/1067345803.db2.gz IHCYPFYYEFMOEX-JTQLQIEISA-N 2 0 454.962 -1.676 20 0 JAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1Cl ZINC001218876423 1067345515 /nfs/dbraw/zinc/34/55/15/1067345515.db2.gz IHCYPFYYEFMOEX-SNVBAGLBSA-N 2 0 454.962 -1.676 20 0 JAADRP CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2F)CC1 ZINC001218888341 1067346185 /nfs/dbraw/zinc/34/61/85/1067346185.db2.gz IOAOAFZOVAFHPE-UHFFFAOYSA-N 2 0 451.503 -1.787 20 0 JAADRP CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2)CC1 ZINC001218963156 1067346016 /nfs/dbraw/zinc/34/60/16/1067346016.db2.gz NAGQJPOFEPMVSE-UHFFFAOYSA-N 2 0 490.561 -1.293 20 0 JAADRP C[NH+]1CCC(COc2cccc(F)c2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001219299803 1067346922 /nfs/dbraw/zinc/34/69/22/1067346922.db2.gz SSANVGGCNCAMHV-UHFFFAOYSA-N 2 0 466.514 -1.208 20 0 JAADRP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001219489830 1067346831 /nfs/dbraw/zinc/34/68/31/1067346831.db2.gz WKKFOZOKHFUDDX-UHFFFAOYSA-N 2 0 477.566 -1.529 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1nnc2n1CCC[NH2+]C2)C(=O)CF ZINC001219750016 1067348169 /nfs/dbraw/zinc/34/81/69/1067348169.db2.gz UMJAFGJBYUZDMG-LXIYXOSZSA-N 2 0 468.534 -1.711 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348294 /nfs/dbraw/zinc/34/82/94/1067348294.db2.gz KJIJMOIZGQRSLF-SPCJURDBSA-N 2 0 456.563 -1.702 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C(=O)CF ZINC001219800940 1067348458 /nfs/dbraw/zinc/34/84/58/1067348458.db2.gz PELMOBVDCFCQGV-KRXQYRFLSA-N 2 0 457.547 -1.227 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[C@H]1CCOC12C[NH2+]C2)C(=O)CF ZINC001219800941 1067348023 /nfs/dbraw/zinc/34/80/23/1067348023.db2.gz PELMOBVDCFCQGV-XSWJXKHESA-N 2 0 457.547 -1.227 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1noc2c1C[NH2+]CC2)C(=O)CF ZINC001219811155 1067348057 /nfs/dbraw/zinc/34/80/57/1067348057.db2.gz MATIEPJLLNXRHM-FNFWKMNBSA-N 2 0 454.503 -1.162 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838049 1067348928 /nfs/dbraw/zinc/34/89/28/1067348928.db2.gz OFVZDLWMRIXHEH-BZDHPDOMSA-N 2 0 453.584 -1.103 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838050 1067348945 /nfs/dbraw/zinc/34/89/45/1067348945.db2.gz OFVZDLWMRIXHEH-MSQSPTIYSA-N 2 0 453.584 -1.103 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838051 1067348689 /nfs/dbraw/zinc/34/86/89/1067348689.db2.gz OFVZDLWMRIXHEH-ORGXJRBJSA-N 2 0 453.584 -1.103 20 0 JAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838053 1067348883 /nfs/dbraw/zinc/34/88/83/1067348883.db2.gz OFVZDLWMRIXHEH-VDNWNZSNSA-N 2 0 453.584 -1.103 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348600 /nfs/dbraw/zinc/34/86/00/1067348600.db2.gz SCQYIOBOEJAHQY-CWJANSQVSA-N 2 0 487.573 -1.601 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348864 /nfs/dbraw/zinc/34/88/64/1067348864.db2.gz SCQYIOBOEJAHQY-DXRNAMPVSA-N 2 0 487.573 -1.601 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348817 /nfs/dbraw/zinc/34/88/17/1067348817.db2.gz SCQYIOBOEJAHQY-GRLJWQFSSA-N 2 0 487.573 -1.601 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348663 /nfs/dbraw/zinc/34/86/63/1067348663.db2.gz SCQYIOBOEJAHQY-MYVMSIQCSA-N 2 0 487.573 -1.601 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067348771 /nfs/dbraw/zinc/34/87/71/1067348771.db2.gz JBZSARXFKDSDPV-KDWNQABDSA-N 2 0 457.547 -1.371 20 0 JAADRP COC(=O)C1(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC[NH2+]CC1 ZINC001220001154 1067349450 /nfs/dbraw/zinc/34/94/50/1067349450.db2.gz JFNVNTAJICIFDF-XEZPLFJOSA-N 2 0 459.519 -1.701 20 0 JAADRP COc1cccc(N=c2ncn(C(=O)CNC(=O)C[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013045 1067349108 /nfs/dbraw/zinc/34/91/08/1067349108.db2.gz HAJNQUYNFSFYGN-RTBURBONSA-N 2 0 482.545 -1.014 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C=C1CC[NH2+]CC1)c(N)nc2=O ZINC001220121756 1067350039 /nfs/dbraw/zinc/35/00/39/1067350039.db2.gz ALDPYMPZWNHSLZ-GOEBONIOSA-N 2 0 477.522 -1.013 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C=C1CC[NH2+]CC1)c(N)nc2=O ZINC001220121757 1067349931 /nfs/dbraw/zinc/34/99/31/1067349931.db2.gz ALDPYMPZWNHSLZ-HOCLYGCPSA-N 2 0 477.522 -1.013 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCCC[NH2+]1)c(N)nc2=O ZINC001220121764 1067350076 /nfs/dbraw/zinc/35/00/76/1067350076.db2.gz APWUHLIHPYAZSW-IHRRRGAJSA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCCC[NH2+]1)c(N)nc2=O ZINC001220121765 1067349956 /nfs/dbraw/zinc/34/99/56/1067349956.db2.gz APWUHLIHPYAZSW-MELADBBJSA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121766 1067349765 /nfs/dbraw/zinc/34/97/65/1067349765.db2.gz AQBYHBCLZOEJKW-BFHYXJOUSA-N 2 0 479.538 -1.078 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121767 1067349979 /nfs/dbraw/zinc/34/99/79/1067349979.db2.gz AQBYHBCLZOEJKW-IHRRRGAJSA-N 2 0 479.538 -1.078 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121768 1067349792 /nfs/dbraw/zinc/34/97/92/1067349792.db2.gz AQBYHBCLZOEJKW-MELADBBJSA-N 2 0 479.538 -1.078 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121769 1067350133 /nfs/dbraw/zinc/35/01/33/1067350133.db2.gz AQBYHBCLZOEJKW-MJBXVCDLSA-N 2 0 479.538 -1.078 20 0 JAADRP C[NH2+]CCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121770 1067350096 /nfs/dbraw/zinc/35/00/96/1067350096.db2.gz ARGVIFMEAQVPDS-GXTWGEPZSA-N 2 0 453.500 -1.324 20 0 JAADRP C[NH2+]CCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121772 1067349662 /nfs/dbraw/zinc/34/96/62/1067349662.db2.gz ARGVIFMEAQVPDS-JSGCOSHPSA-N 2 0 453.500 -1.324 20 0 JAADRP C[NH2+]C(C)(C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121809 1067349817 /nfs/dbraw/zinc/34/98/17/1067349817.db2.gz BGJZBHLSMSNNMC-NWDGAFQWSA-N 2 0 453.500 -1.325 20 0 JAADRP C[NH2+]C(C)(C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121810 1067349889 /nfs/dbraw/zinc/34/98/89/1067349889.db2.gz BGJZBHLSMSNNMC-RYUDHWBXSA-N 2 0 453.500 -1.325 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121813 1067349720 /nfs/dbraw/zinc/34/97/20/1067349720.db2.gz BGYIISJEQNDBQA-BWNADHONSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121815 1067350001 /nfs/dbraw/zinc/35/00/01/1067350001.db2.gz BGYIISJEQNDBQA-HSAVKHBNSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121819 1067349691 /nfs/dbraw/zinc/34/96/91/1067349691.db2.gz BGYIISJEQNDBQA-RXDHQFPFSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121822 1067349859 /nfs/dbraw/zinc/34/98/59/1067349859.db2.gz BGYIISJEQNDBQA-RZNKXZLBSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH2+]CC1)c(N)nc2=O ZINC001220122124 1067350018 /nfs/dbraw/zinc/35/00/18/1067350018.db2.gz DAWJQGAPHNAWCZ-KBPBESRZSA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH2+]CC1)c(N)nc2=O ZINC001220122127 1067350119 /nfs/dbraw/zinc/35/01/19/1067350119.db2.gz DAWJQGAPHNAWCZ-UONOGXRCSA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH3+])c(N)nc2=O ZINC001220122144 1067350059 /nfs/dbraw/zinc/35/00/59/1067350059.db2.gz DEOYTDMNAKEHIQ-GXTWGEPZSA-N 2 0 453.500 -1.194 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH3+])c(N)nc2=O ZINC001220122145 1067350719 /nfs/dbraw/zinc/35/07/19/1067350719.db2.gz DEOYTDMNAKEHIQ-JSGCOSHPSA-N 2 0 453.500 -1.194 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC(C1)C[NH2+]3)c(N)nc2=O ZINC001220122215 1067350354 /nfs/dbraw/zinc/35/03/54/1067350354.db2.gz FBMUUGPHMOKQPE-YLVVLEIVSA-N 2 0 463.495 -1.571 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC(C1)C[NH2+]3)c(N)nc2=O ZINC001220122216 1067350437 /nfs/dbraw/zinc/35/04/37/1067350437.db2.gz FBMUUGPHMOKQPE-ZLHLQJQBSA-N 2 0 463.495 -1.571 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC[C@H]1[NH3+])c(N)nc2=O ZINC001220122236 1067350624 /nfs/dbraw/zinc/35/06/24/1067350624.db2.gz FXBVHUUITBCVPN-DGAVXFQQSA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC[C@H]1[NH3+])c(N)nc2=O ZINC001220122237 1067350523 /nfs/dbraw/zinc/35/05/23/1067350523.db2.gz FXBVHUUITBCVPN-REWJHTLYSA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@H](C[NH3+])C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220122238 1067350599 /nfs/dbraw/zinc/35/05/99/1067350599.db2.gz FXNDYEXFNDECSH-IHRRRGAJSA-N 2 0 467.527 -1.092 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C[NH3+])C(C)C)c(N)nc2=O ZINC001220122239 1067350299 /nfs/dbraw/zinc/35/02/99/1067350299.db2.gz FXNDYEXFNDECSH-MELADBBJSA-N 2 0 467.527 -1.092 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122252 1067350670 /nfs/dbraw/zinc/35/06/70/1067350670.db2.gz GPSGMDNSNKVHRI-KQHSUYLTSA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122253 1067350506 /nfs/dbraw/zinc/35/05/06/1067350506.db2.gz GPSGMDNSNKVHRI-MRRFBWAASA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122254 1067350423 /nfs/dbraw/zinc/35/04/23/1067350423.db2.gz GPSGMDNSNKVHRI-QAJFTPDKSA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122255 1067350697 /nfs/dbraw/zinc/35/06/97/1067350697.db2.gz GPSGMDNSNKVHRI-RDXCRGQUSA-N 2 0 465.511 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)c(N)nc2=O ZINC001220122259 1067350482 /nfs/dbraw/zinc/35/04/82/1067350482.db2.gz GSMQUXPFRRRJCZ-BTFPBAQTSA-N 2 0 477.522 -1.183 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)c(N)nc2=O ZINC001220122260 1067350648 /nfs/dbraw/zinc/35/06/48/1067350648.db2.gz GSMQUXPFRRRJCZ-LXFSFDBISA-N 2 0 477.522 -1.183 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]C[C@H]3[C@@H]1C3(C)C)c(N)nc2=O ZINC001220122371 1067350328 /nfs/dbraw/zinc/35/03/28/1067350328.db2.gz HFUQCWZJHLEPFG-LXFSFDBISA-N 2 0 491.549 -1.079 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]C[C@H]3[C@@H]1C3(C)C)c(N)nc2=O ZINC001220122372 1067350406 /nfs/dbraw/zinc/35/04/06/1067350406.db2.gz HFUQCWZJHLEPFG-YTFOTSKYSA-N 2 0 491.549 -1.079 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001220122427 1067350571 /nfs/dbraw/zinc/35/05/71/1067350571.db2.gz IUVKPDKFZXAEGV-ARKGTOAJSA-N 2 0 491.549 -1.078 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001220122428 1067350455 /nfs/dbraw/zinc/35/04/55/1067350455.db2.gz IUVKPDKFZXAEGV-QMHWVQJVSA-N 2 0 491.549 -1.078 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)c(N)nc2=O ZINC001220122439 1067350545 /nfs/dbraw/zinc/35/05/45/1067350545.db2.gz JBFYBRJZPUKNAF-BJJPWKGXSA-N 2 0 463.495 -1.573 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)c(N)nc2=O ZINC001220122440 1067351330 /nfs/dbraw/zinc/35/13/30/1067351330.db2.gz JBFYBRJZPUKNAF-XHJNMGKDSA-N 2 0 463.495 -1.573 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC3(CC3)C[NH2+]1)c(N)nc2=O ZINC001220122445 1067351011 /nfs/dbraw/zinc/35/10/11/1067351011.db2.gz JIWNVYAMXIYHBR-IHRRRGAJSA-N 2 0 477.522 -1.181 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC3(CC3)C[NH2+]1)c(N)nc2=O ZINC001220122446 1067351138 /nfs/dbraw/zinc/35/11/38/1067351138.db2.gz JIWNVYAMXIYHBR-MELADBBJSA-N 2 0 477.522 -1.181 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)c(N)nc2=O ZINC001220122594 1067351041 /nfs/dbraw/zinc/35/10/41/1067351041.db2.gz LFWNMCBXZDEPJX-CCKXHYTFSA-N 2 0 463.495 -1.571 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)c(N)nc2=O ZINC001220122595 1067351173 /nfs/dbraw/zinc/35/11/73/1067351173.db2.gz LFWNMCBXZDEPJX-WNIMPLFLSA-N 2 0 463.495 -1.571 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)c(N)nc2=O ZINC001220122704 1067350990 /nfs/dbraw/zinc/35/09/90/1067350990.db2.gz MIYLRMVXXOFEBM-XHJNMGKDSA-N 2 0 463.495 -1.715 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)c(N)nc2=O ZINC001220122707 1067351099 /nfs/dbraw/zinc/35/10/99/1067351099.db2.gz MIYLRMVXXOFEBM-XVIXHAIJSA-N 2 0 463.495 -1.715 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122820 1067350960 /nfs/dbraw/zinc/35/09/60/1067350960.db2.gz NPJCHSMUNFGLKF-GUTXKFCHSA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122822 1067351281 /nfs/dbraw/zinc/35/12/81/1067351281.db2.gz NPJCHSMUNFGLKF-GZBFAFLISA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122825 1067351264 /nfs/dbraw/zinc/35/12/64/1067351264.db2.gz NPJCHSMUNFGLKF-KCQAQPDRSA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122828 1067351304 /nfs/dbraw/zinc/35/13/04/1067351304.db2.gz NPJCHSMUNFGLKF-YDHLFZDLSA-N 2 0 465.511 -1.196 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC(C[NH3+])C1)c(N)nc2=O ZINC001220122942 1067351230 /nfs/dbraw/zinc/35/12/30/1067351230.db2.gz PBEBEXSNZNTHNN-CLRIEMFWSA-N 2 0 465.511 -1.338 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC(C[NH3+])C1)c(N)nc2=O ZINC001220122943 1067350894 /nfs/dbraw/zinc/35/08/94/1067350894.db2.gz PBEBEXSNZNTHNN-HOAMVYINSA-N 2 0 465.511 -1.338 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122969 1067351189 /nfs/dbraw/zinc/35/11/89/1067351189.db2.gz PUUZBTDMEYQPSD-HPCHECBXSA-N 2 0 463.495 -1.858 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122970 1067351244 /nfs/dbraw/zinc/35/12/44/1067351244.db2.gz PUUZBTDMEYQPSD-ODXJTPSBSA-N 2 0 463.495 -1.858 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122971 1067350927 /nfs/dbraw/zinc/35/09/27/1067350927.db2.gz PUUZBTDMEYQPSD-PDWCTOEPSA-N 2 0 463.495 -1.858 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122972 1067351071 /nfs/dbraw/zinc/35/10/71/1067351071.db2.gz PUUZBTDMEYQPSD-QNSTZXKLSA-N 2 0 463.495 -1.858 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC[C@H]1C)c(N)nc2=O ZINC001220122985 1067351119 /nfs/dbraw/zinc/35/11/19/1067351119.db2.gz QORHLTNHBLGNFY-BARDWOONSA-N 2 0 479.538 -1.078 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC[C@H]1C)c(N)nc2=O ZINC001220122986 1067351754 /nfs/dbraw/zinc/35/17/54/1067351754.db2.gz QORHLTNHBLGNFY-LXTVHRRPSA-N 2 0 479.538 -1.078 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)C[NH3+])c(N)nc2=O ZINC001220122998 1067351777 /nfs/dbraw/zinc/35/17/77/1067351777.db2.gz RCWRALOHJHFAGC-NWDGAFQWSA-N 2 0 453.500 -1.338 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)C[NH3+])c(N)nc2=O ZINC001220122999 1067351558 /nfs/dbraw/zinc/35/15/58/1067351558.db2.gz RCWRALOHJHFAGC-RYUDHWBXSA-N 2 0 453.500 -1.338 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[C@@H]1[NH3+])c(N)nc2=O ZINC001220123006 1067351924 /nfs/dbraw/zinc/35/19/24/1067351924.db2.gz RPRJJVUPRQMFNI-CYDGBPFRSA-N 2 0 451.484 -1.586 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[C@@H]1[NH3+])c(N)nc2=O ZINC001220123007 1067351699 /nfs/dbraw/zinc/35/16/99/1067351699.db2.gz RPRJJVUPRQMFNI-ZDEQEGDKSA-N 2 0 451.484 -1.586 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123079 1067351601 /nfs/dbraw/zinc/35/16/01/1067351601.db2.gz VAMYFQOJXXRTNM-KQHSUYLTSA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123080 1067351648 /nfs/dbraw/zinc/35/16/48/1067351648.db2.gz VAMYFQOJXXRTNM-MRRFBWAASA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123081 1067351980 /nfs/dbraw/zinc/35/19/80/1067351980.db2.gz VAMYFQOJXXRTNM-QAJFTPDKSA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123082 1067351858 /nfs/dbraw/zinc/35/18/58/1067351858.db2.gz VAMYFQOJXXRTNM-RDXCRGQUSA-N 2 0 465.511 -1.324 20 0 JAADRP CC(C)[NH2+]CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220123134 1067351949 /nfs/dbraw/zinc/35/19/49/1067351949.db2.gz WPLUIKDQCLCJSS-GXTWGEPZSA-N 2 0 453.500 -1.325 20 0 JAADRP CC(C)[NH2+]CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220123135 1067351666 /nfs/dbraw/zinc/35/16/66/1067351666.db2.gz WPLUIKDQCLCJSS-JSGCOSHPSA-N 2 0 453.500 -1.325 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)c(N)nc2=O ZINC001220123140 1067351807 /nfs/dbraw/zinc/35/18/07/1067351807.db2.gz WZYTZCSZSOUXOT-FQKPHLNHSA-N 2 0 477.522 -1.183 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)c(N)nc2=O ZINC001220123141 1067351575 /nfs/dbraw/zinc/35/15/75/1067351575.db2.gz WZYTZCSZSOUXOT-QTVXIADOSA-N 2 0 477.522 -1.183 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]13CC[C@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123152 1067351514 /nfs/dbraw/zinc/35/15/14/1067351514.db2.gz XQLQKWAEKRAEBJ-BWNADHONSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]13CC[C@@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123153 1067352267 /nfs/dbraw/zinc/35/22/67/1067352267.db2.gz XQLQKWAEKRAEBJ-IDGQHGNYSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13CC[C@@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123154 1067352292 /nfs/dbraw/zinc/35/22/92/1067352292.db2.gz XQLQKWAEKRAEBJ-PBMXDMTDSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13CC[C@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123155 1067352571 /nfs/dbraw/zinc/35/25/71/1067352571.db2.gz XQLQKWAEKRAEBJ-RXDHQFPFSA-N 2 0 477.522 -1.324 20 0 JAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1([NH3+])CCCC1)c(N)nc2=O ZINC001220123214 1067352588 /nfs/dbraw/zinc/35/25/88/1067352588.db2.gz ZSMWZCSFPCAWOM-QWHCGFSZSA-N 2 0 465.511 -1.052 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1([NH3+])CCCC1)c(N)nc2=O ZINC001220123215 1067352231 /nfs/dbraw/zinc/35/22/31/1067352231.db2.gz ZSMWZCSFPCAWOM-STQMWFEESA-N 2 0 465.511 -1.052 20 0 JAADRP COC(=O)[C@]1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228790 1067352400 /nfs/dbraw/zinc/35/24/00/1067352400.db2.gz YBGHIFBNOHOOFT-NRFANRHFSA-N 2 0 462.507 -2.772 20 0 JAADRP COC(=O)[C@@]1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228791 1067352623 /nfs/dbraw/zinc/35/26/23/1067352623.db2.gz YBGHIFBNOHOOFT-OAQYLSRUSA-N 2 0 462.507 -2.772 20 0 JAADRP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284584 1067353133 /nfs/dbraw/zinc/35/31/33/1067353133.db2.gz SPXBKACHFRSLRT-KSZLIROESA-N 2 0 456.565 -1.078 20 0 JAADRP CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284585 1067352874 /nfs/dbraw/zinc/35/28/74/1067352874.db2.gz SPXBKACHFRSLRT-KURKYZTESA-N 2 0 456.565 -1.078 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCC[N@H+](C)CC1)C(=O)CF ZINC001220307191 1067353156 /nfs/dbraw/zinc/35/31/56/1067353156.db2.gz UDHOEQFZIRVSAA-BXWFABGCSA-N 2 0 458.579 -1.358 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ncn2c1C[NH2+]CCC2)C(=O)CF ZINC001220310928 1067352900 /nfs/dbraw/zinc/35/29/00/1067352900.db2.gz HWLWPUVGMDIBEA-NJSLBKSFSA-N 2 0 467.546 -1.106 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067352961 /nfs/dbraw/zinc/35/29/61/1067352961.db2.gz LHXXPTLEWNTBEB-HIIHGLIOSA-N 2 0 457.547 -1.085 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067353083 /nfs/dbraw/zinc/35/30/83/1067353083.db2.gz LHXXPTLEWNTBEB-MRFJQFOUSA-N 2 0 457.547 -1.085 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067353247 /nfs/dbraw/zinc/35/32/47/1067353247.db2.gz LHXXPTLEWNTBEB-YPDSAKSWSA-N 2 0 457.547 -1.085 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067353313 /nfs/dbraw/zinc/35/33/13/1067353313.db2.gz LHXXPTLEWNTBEB-ZLFLNXGQSA-N 2 0 457.547 -1.085 20 0 JAADRP Cc1cnc2c(N(CC[NH3+])C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])nc3ccc(C)cc3n12 ZINC001220456053 1067353520 /nfs/dbraw/zinc/35/35/20/1067353520.db2.gz AEFARELBOYFZFL-UHFFFAOYSA-N 2 0 483.533 -1.902 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067353956 /nfs/dbraw/zinc/35/39/56/1067353956.db2.gz HGUPMWSAZKZFQR-JIPTXQKDSA-N 2 0 475.562 -1.271 20 0 JAADRP CC(C)[C@H]([NH3+])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 1067353870 /nfs/dbraw/zinc/35/38/70/1067353870.db2.gz HGUPMWSAZKZFQR-QIAZTIMGSA-N 2 0 475.562 -1.271 20 0 JAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506174 1067354411 /nfs/dbraw/zinc/35/44/11/1067354411.db2.gz LGXZUCCGUVUQQM-FTAMUGHTSA-N 3 0 467.633 -1.498 20 0 JAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506179 1067354332 /nfs/dbraw/zinc/35/43/32/1067354332.db2.gz LGXZUCCGUVUQQM-OIDVLUPKSA-N 3 0 467.633 -1.498 20 0 JAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506181 1067354473 /nfs/dbraw/zinc/35/44/73/1067354473.db2.gz LGXZUCCGUVUQQM-OLEVXBPZSA-N 3 0 467.633 -1.498 20 0 JAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506183 1067354456 /nfs/dbraw/zinc/35/44/56/1067354456.db2.gz LGXZUCCGUVUQQM-YDRHNJASSA-N 3 0 467.633 -1.498 20 0 JAADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC001220515971 1067354563 /nfs/dbraw/zinc/35/45/63/1067354563.db2.gz NHYRSBMNNJRDKE-QQFBHYJXSA-N 2 0 475.550 -1.984 20 0 JAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519520 1067354491 /nfs/dbraw/zinc/35/44/91/1067354491.db2.gz QTBNGKOKSQSQMV-ICSRJNTNSA-N 2 0 451.568 -1.079 20 0 JAADRP CCOC(=O)C1=C(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC[NH2+]C1 ZINC001220523855 1067354666 /nfs/dbraw/zinc/35/46/66/1067354666.db2.gz UKXNUYAQTABWCJ-QITLCBANSA-N 2 0 471.530 -1.185 20 0 JAADRP CC(C)([NH3+])CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535597 1067354384 /nfs/dbraw/zinc/35/43/84/1067354384.db2.gz GRBQHZJILZARKP-UHFFFAOYSA-N 2 0 456.525 -2.752 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001220542283 1067354540 /nfs/dbraw/zinc/35/45/40/1067354540.db2.gz RVXXDJWNJZGHLS-WZOJCFFYSA-N 2 0 458.563 -1.052 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748441 1067354868 /nfs/dbraw/zinc/35/48/68/1067354868.db2.gz JRWAQUFTKSNBDJ-UWVGGRQHSA-N 2 0 470.512 -2.528 20 0 JAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749053 1067354966 /nfs/dbraw/zinc/35/49/66/1067354966.db2.gz ODDXVOUGGUIJIL-NSHDSACASA-N 2 0 459.554 -1.081 20 0 JAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)C(N)=O ZINC001220749077 1067355059 /nfs/dbraw/zinc/35/50/59/1067355059.db2.gz PEJOGYRUAICKBG-WDEREUQCSA-N 2 0 484.539 -2.138 20 0 JAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN(CC[NH3+])S(C)(=O)=O)c2nonc21 ZINC001220749078 1067355012 /nfs/dbraw/zinc/35/50/12/1067355012.db2.gz PHBAIYMHQDUEDL-UHFFFAOYSA-N 2 0 463.542 -2.015 20 0 JAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)c2nonc21 ZINC001220749401 1067355231 /nfs/dbraw/zinc/35/52/31/1067355231.db2.gz UMCMQGHLDHDGAX-GFCCVEGCSA-N 2 0 465.536 -1.119 20 0 JAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c2nonc21 ZINC001220749402 1067355079 /nfs/dbraw/zinc/35/50/79/1067355079.db2.gz UMCMQGHLDHDGAX-LBPRGKRZSA-N 2 0 465.536 -1.119 20 0 JAADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001220765875 1067355412 /nfs/dbraw/zinc/35/54/12/1067355412.db2.gz HASIYGNSAGASIB-FEBARNBZSA-N 2 0 475.502 -1.076 20 0 JAADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001220765876 1067355825 /nfs/dbraw/zinc/35/58/25/1067355825.db2.gz HASIYGNSAGASIB-MIGDXVIRSA-N 2 0 475.502 -1.076 20 0 JAADRP 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+]CC23C[NH2+]C3)cc1 ZINC001220766117 1067356188 /nfs/dbraw/zinc/35/61/88/1067356188.db2.gz LTDAAFUFZGMJNJ-PJDYVGSDSA-N 2 0 499.524 -1.334 20 0 JAADRP 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+]CC23C[NH2+]C3)cc1 ZINC001220766118 1067355786 /nfs/dbraw/zinc/35/57/86/1067355786.db2.gz LTDAAFUFZGMJNJ-ZZDIOYDHSA-N 2 0 499.524 -1.334 20 0 JAADRP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[NH2+]CCC[NH3+])cc1 ZINC001220766779 1067356649 /nfs/dbraw/zinc/35/66/49/1067356649.db2.gz XMTZDJSIDDUQAM-HUYLIWGRSA-N 2 0 475.502 -1.204 20 0 JAADRP CCOC(=O)C1=C(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[NH2+]C1 ZINC001220829078 1067356928 /nfs/dbraw/zinc/35/69/28/1067356928.db2.gz XCMMHDDAKGPTQV-BNLOLNQZSA-N 2 0 457.503 -1.576 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900162 1067356871 /nfs/dbraw/zinc/35/68/71/1067356871.db2.gz CAOQEQOXZDUXRK-UHFFFAOYSA-N 2 0 453.544 -3.113 20 0 JAADRP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O)c2)cc1 ZINC001220900293 1067357552 /nfs/dbraw/zinc/35/75/52/1067357552.db2.gz GJKSZNCAQZTUOW-MRXNPFEDSA-N 2 0 454.513 -1.037 20 0 JAADRP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966974 1067357650 /nfs/dbraw/zinc/35/76/50/1067357650.db2.gz NEQWLAQILAUVBS-SMLCLMEVSA-N 2 0 466.539 -1.531 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002442 1067357434 /nfs/dbraw/zinc/35/74/34/1067357434.db2.gz PZNRQLFFCREGEH-WKILWMFISA-N 2 0 450.515 -1.269 20 0 JAADRP CCC(CC)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072785 1067358417 /nfs/dbraw/zinc/35/84/17/1067358417.db2.gz RGQJSONPJXQFJF-DINVNSBJSA-N 2 0 483.610 -1.141 20 0 JAADRP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC001221086965 1067358060 /nfs/dbraw/zinc/35/80/60/1067358060.db2.gz NLELUGRWWNMTPM-XIRDDKMYSA-N 2 0 499.590 -1.110 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001221091905 1067358015 /nfs/dbraw/zinc/35/80/15/1067358015.db2.gz HNHGXGNDFNMQME-UHFFFAOYSA-N 2 0 472.468 -1.211 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221135917 1067358106 /nfs/dbraw/zinc/35/81/06/1067358106.db2.gz HGMRURMGLCSIRP-UHFFFAOYSA-N 2 0 452.943 -1.490 20 0 JAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148659 1067358164 /nfs/dbraw/zinc/35/81/64/1067358164.db2.gz KEJDISANUZVWEK-PMACEKPBSA-N 2 0 491.570 -1.315 20 0 JAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148666 1067358301 /nfs/dbraw/zinc/35/83/01/1067358301.db2.gz KHYZPPOQNSMHJE-UHFFFAOYSA-N 2 0 469.524 -3.760 20 0 JAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148959 1067358035 /nfs/dbraw/zinc/35/80/35/1067358035.db2.gz UQNZUBRVXOMPJE-YOEHRIQHSA-N 2 0 466.564 -1.613 20 0 JAADRP COC(=O)c1ccc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184362 1067357968 /nfs/dbraw/zinc/35/79/68/1067357968.db2.gz VBEJPUAXPCOVQK-IYARVYRRSA-N 2 0 490.561 -1.621 20 0 JAADRP COc1cccc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001221185726 1067358679 /nfs/dbraw/zinc/35/86/79/1067358679.db2.gz GBMMOZNJRZPESO-QAQDUYKDSA-N 2 0 462.551 -1.399 20 0 JAADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262578 1067360979 /nfs/dbraw/zinc/36/09/79/1067360979.db2.gz IVEYOQYKCDFJMH-SECBINFHSA-N 2 0 478.478 -2.416 20 0 JAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221348695 1067361830 /nfs/dbraw/zinc/36/18/30/1067361830.db2.gz NDEDUKXQJWYBOC-XSLAGTTESA-N 2 0 476.582 -1.639 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1=O)C(N)=O ZINC001221350865 1067362240 /nfs/dbraw/zinc/36/22/40/1067362240.db2.gz AJVHZDSKJMDEPG-CVYDXHPNSA-N 2 0 466.583 -1.604 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1=O)C(N)=O ZINC001221350888 1067362389 /nfs/dbraw/zinc/36/23/89/1067362389.db2.gz AJVHZDSKJMDEPG-OVWQWFNUSA-N 2 0 466.583 -1.604 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001221350889 1067362719 /nfs/dbraw/zinc/36/27/19/1067362719.db2.gz ANJSZKNGJKIQLS-AEFRCRGFSA-N 2 0 493.609 -1.274 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001221350890 1067362707 /nfs/dbraw/zinc/36/27/07/1067362707.db2.gz ANJSZKNGJKIQLS-YWYGCRHHSA-N 2 0 493.609 -1.274 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cncn1C)C(N)=O ZINC001221350891 1067362466 /nfs/dbraw/zinc/36/24/66/1067362466.db2.gz APRIQXMPWOZKIC-VJANTYMQSA-N 2 0 492.625 -1.479 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C12CC(C1)C[NH2+]2)C(N)=O ZINC001221350956 1067362621 /nfs/dbraw/zinc/36/26/21/1067362621.db2.gz BIFHIVZGTCHTHY-FWKXQSBZSA-N 2 0 450.584 -1.031 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1COC[C@H]1[NH3+])C(N)=O ZINC001221350959 1067362348 /nfs/dbraw/zinc/36/23/48/1067362348.db2.gz BJEDUEDPXHXSRO-QEOTZNIISA-N 2 0 454.572 -1.809 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC001221351079 1067362650 /nfs/dbraw/zinc/36/26/50/1067362650.db2.gz DBRRHANWCRUHOO-FJIDUMEYSA-N 2 0 480.610 -1.262 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC2(C[NH2+]C2)O1)C(N)=O ZINC001221351083 1067362631 /nfs/dbraw/zinc/36/26/31/1067362631.db2.gz DBRRHANWCRUHOO-XSLAGTTESA-N 2 0 480.610 -1.262 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)C(N)=O ZINC001221351187 1067362696 /nfs/dbraw/zinc/36/26/96/1067362696.db2.gz DSRNGSMLSOLMFF-SIRBJWHBSA-N 2 0 494.637 -1.016 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C)C(N)=O ZINC001221351232 1067362677 /nfs/dbraw/zinc/36/26/77/1067362677.db2.gz DVYRFFIQXMAUNM-FJIDUMEYSA-N 2 0 467.615 -1.879 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C)C(N)=O ZINC001221351233 1067362270 /nfs/dbraw/zinc/36/22/70/1067362270.db2.gz DVYRFFIQXMAUNM-XSLAGTTESA-N 2 0 467.615 -1.879 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCOCC1)C(N)=O ZINC001221351344 1067362299 /nfs/dbraw/zinc/36/22/99/1067362299.db2.gz FVFNVOHBJUORMQ-VJANTYMQSA-N 2 0 482.626 -1.029 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCCO1)C(N)=O ZINC001221351370 1067362668 /nfs/dbraw/zinc/36/26/68/1067362668.db2.gz GHEIUGYUGQDQES-XSLAGTTESA-N 2 0 468.599 -1.404 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(N)=O ZINC001221351375 1067362912 /nfs/dbraw/zinc/36/29/12/1067362912.db2.gz GKQJHTAAERXZSH-IUUWJXCHSA-N 2 0 480.610 -1.547 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1)C(N)=O ZINC001221351407 1067362813 /nfs/dbraw/zinc/36/28/13/1067362813.db2.gz GXAQEBPGVUSFER-LNLFQRSKSA-N 2 0 467.615 -1.878 20 0 JAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351408 1067362970 /nfs/dbraw/zinc/36/29/70/1067362970.db2.gz GXRWYGCDOLLFOX-BCYZHJNNSA-N 2 0 496.609 -1.632 20 0 JAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351410 1067362886 /nfs/dbraw/zinc/36/28/86/1067362886.db2.gz GXRWYGCDOLLFOX-FKSLSLAPSA-N 2 0 496.609 -1.632 20 0 JAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351411 1067362991 /nfs/dbraw/zinc/36/29/91/1067362991.db2.gz GXRWYGCDOLLFOX-SPOLIRPYSA-N 2 0 496.609 -1.632 20 0 JAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351412 1067362923 /nfs/dbraw/zinc/36/29/23/1067362923.db2.gz GXRWYGCDOLLFOX-VMXHOPILSA-N 2 0 496.609 -1.632 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)C(N)=O ZINC001221351448 1067362798 /nfs/dbraw/zinc/36/27/98/1067362798.db2.gz HODKQKOGHALNKS-DWIKVQACSA-N 2 0 494.637 -1.158 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)C(N)=O ZINC001221351451 1067362828 /nfs/dbraw/zinc/36/28/28/1067362828.db2.gz HODKQKOGHALNKS-MILMJNAHSA-N 2 0 494.637 -1.158 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)C(N)=O ZINC001221351453 1067363034 /nfs/dbraw/zinc/36/30/34/1067363034.db2.gz HODKQKOGHALNKS-XSEPRYCASA-N 2 0 494.637 -1.158 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)C(N)=O ZINC001221351454 1067363002 /nfs/dbraw/zinc/36/30/02/1067363002.db2.gz HODKQKOGHALNKS-XVMXLUHGSA-N 2 0 494.637 -1.158 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(N)=O ZINC001221351459 1067363014 /nfs/dbraw/zinc/36/30/14/1067363014.db2.gz HQWZHYLSBXMPMW-DWRORGKVSA-N 2 0 495.625 -1.833 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21)C(N)=O ZINC001221351462 1067362947 /nfs/dbraw/zinc/36/29/47/1067362947.db2.gz HTZMEYNXWPALTB-IYYNEKPFSA-N 2 0 450.584 -1.175 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)C(N)=O ZINC001221351463 1067362840 /nfs/dbraw/zinc/36/28/40/1067362840.db2.gz HURDMEJTJDAULY-CABLIKTCSA-N 2 0 480.610 -1.406 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)C(N)=O ZINC001221351527 1067362935 /nfs/dbraw/zinc/36/29/35/1067362935.db2.gz HZXGQIHVHNPLJU-LOHZADLCSA-N 2 0 494.637 -1.016 20 0 JAADRP C[NH2+][C@H]1CCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001221351533 1067362957 /nfs/dbraw/zinc/36/29/57/1067362957.db2.gz IBKZZACYVWMNKL-IWFBPKFRSA-N 2 0 495.669 -1.099 20 0 JAADRP C[NH2+][C@@H]1CCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001221351536 1067362899 /nfs/dbraw/zinc/36/28/99/1067362899.db2.gz IBKZZACYVWMNKL-JKBKZWBZSA-N 2 0 495.669 -1.099 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[C@@H]1CC[NH2+]2)C(N)=O ZINC001221351546 1067363318 /nfs/dbraw/zinc/36/33/18/1067363318.db2.gz IJZJOCBXWUFQHD-VMDVDIMUSA-N 2 0 450.584 -1.031 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CN(C)[C@H]1CCC[NH2+]C1)C(N)=O ZINC001221351564 1067363405 /nfs/dbraw/zinc/36/34/05/1067363405.db2.gz IWYAZAGGJUCLEJ-IWFBPKFRSA-N 2 0 495.669 -1.099 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CN(C)[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001221351566 1067363174 /nfs/dbraw/zinc/36/31/74/1067363174.db2.gz IWYAZAGGJUCLEJ-JKBKZWBZSA-N 2 0 495.669 -1.099 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21)C(N)=O ZINC001221351630 1067363227 /nfs/dbraw/zinc/36/32/27/1067363227.db2.gz JZRYGAUVQMXEKU-COZGXFGHSA-N 2 0 450.584 -1.317 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(N)=O ZINC001221351631 1067363434 /nfs/dbraw/zinc/36/34/34/1067363434.db2.gz JZRYGAUVQMXEKU-MULDDASSSA-N 2 0 450.584 -1.317 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)C(N)=O ZINC001221351661 1067363261 /nfs/dbraw/zinc/36/32/61/1067363261.db2.gz KYRUEAHZLKXRBJ-VIQHNZTISA-N 2 0 479.582 -1.809 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)COCCOCC[NH3+])C(N)=O ZINC001221351674 1067363466 /nfs/dbraw/zinc/36/34/66/1067363466.db2.gz LJJXDKFWFUMITH-LNLFQRSKSA-N 2 0 486.614 -1.791 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)COC1CC[NH2+]CC1)C(N)=O ZINC001221351780 1067363306 /nfs/dbraw/zinc/36/33/06/1067363306.db2.gz LOBFBYJSEJWKNO-BJLQDIEVSA-N 2 0 482.626 -1.014 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C(N)=O ZINC001221351917 1067363136 /nfs/dbraw/zinc/36/31/36/1067363136.db2.gz OVRCULPHWCSLOD-IURGJRAWSA-N 2 0 488.655 -1.687 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C(N)=O ZINC001221351921 1067363271 /nfs/dbraw/zinc/36/32/71/1067363271.db2.gz OVRCULPHWCSLOD-JTQVDVRXSA-N 2 0 488.655 -1.687 20 0 JAADRP CCOC(=O)C1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C[NH2+]C1 ZINC001221351922 1067363204 /nfs/dbraw/zinc/36/32/04/1067363204.db2.gz OXHNELVKVPIGKZ-ULQDDVLXSA-N 2 0 496.609 -1.630 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+][C@@H](CO1)C2)C(N)=O ZINC001221351929 1067363294 /nfs/dbraw/zinc/36/32/94/1067363294.db2.gz PAUZHGCZXJDZSV-PRLDPXHTSA-N 2 0 466.583 -1.652 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1)C(N)=O ZINC001221351933 1067363358 /nfs/dbraw/zinc/36/33/58/1067363358.db2.gz PBSAPGINFNJPIK-NXOAAHMSSA-N 2 0 454.572 -1.794 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1)C(N)=O ZINC001221351934 1067363415 /nfs/dbraw/zinc/36/34/15/1067363415.db2.gz PBSAPGINFNJPIK-QAETUUGQSA-N 2 0 454.572 -1.794 20 0 JAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352104 1067363772 /nfs/dbraw/zinc/36/37/72/1067363772.db2.gz PIUWYMCLMQXOJY-CVYDXHPNSA-N 2 0 484.598 -1.502 20 0 JAADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352105 1067363541 /nfs/dbraw/zinc/36/35/41/1067363541.db2.gz PIUWYMCLMQXOJY-OVWQWFNUSA-N 2 0 484.598 -1.502 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cn1cccn1)C(N)=O ZINC001221352407 1067363562 /nfs/dbraw/zinc/36/35/62/1067363562.db2.gz UIKMHYIDLIDSLD-XSLAGTTESA-N 2 0 478.598 -1.559 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1C[NH2+]CC2)C(N)=O ZINC001221352541 1067363597 /nfs/dbraw/zinc/36/35/97/1067363597.db2.gz WEUUHPISMAQCFM-BQFCYCMXSA-N 2 0 490.609 -1.169 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1)C(N)=O ZINC001221352637 1067363824 /nfs/dbraw/zinc/36/38/24/1067363824.db2.gz XCKZJWVWJQIBIL-DFEOGRTESA-N 2 0 468.599 -1.404 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1)C(N)=O ZINC001221352638 1067363675 /nfs/dbraw/zinc/36/36/75/1067363675.db2.gz XCKZJWVWJQIBIL-DWRORGKVSA-N 2 0 468.599 -1.404 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(N)=O ZINC001221352682 1067363738 /nfs/dbraw/zinc/36/37/38/1067363738.db2.gz YPIIFZISDKFDMK-VNBWJKKMSA-N 2 0 480.610 -1.548 20 0 JAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@@H]([NH3+])CO1)C(N)=O ZINC001221352707 1067363728 /nfs/dbraw/zinc/36/37/28/1067363728.db2.gz ZEMQDDJBRICWTR-FPSMNIFISA-N 2 0 468.599 -1.276 20 0 JAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001221390234 1067368451 /nfs/dbraw/zinc/36/84/51/1067368451.db2.gz PGVAQQXDIXUBQP-ZQIUZPCESA-N 3 0 459.567 -1.048 20 0 JAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239132120 1067370397 /nfs/dbraw/zinc/37/03/97/1067370397.db2.gz ZXYMYZASUWUMHY-UHFFFAOYSA-N 2 0 477.609 -1.488 20 0 JAADRP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]CC2(O)CC[NH2+]CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246003663 1067371214 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XDUJSPHHSFOFPW-MOPGFXCFSA-N 2 0 451.561 -1.462 20 0 JAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349213 1067372284 /nfs/dbraw/zinc/37/22/84/1067372284.db2.gz XDUJSPHHSFOFPW-OALUTQOASA-N 2 0 451.561 -1.462 20 0 JAADRP COC(=O)[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349216 1067372048 /nfs/dbraw/zinc/37/20/48/1067372048.db2.gz XDUJSPHHSFOFPW-RBUKOAKNSA-N 2 0 451.561 -1.462 20 0 JAADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246349217 1067372228 /nfs/dbraw/zinc/37/22/28/1067372228.db2.gz XDUJSPHHSFOFPW-RTBURBONSA-N 2 0 451.561 -1.462 20 0 JAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246375332 1067372178 /nfs/dbraw/zinc/37/21/78/1067372178.db2.gz PAPPGNKKEHUINP-JZRPKSSGSA-N 2 0 450.525 -1.782 20 0 JAADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246375333 1067372076 /nfs/dbraw/zinc/37/20/76/1067372076.db2.gz PAPPGNKKEHUINP-KSSYENDESA-N 2 0 450.525 -1.782 20 0 JAADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484337 1067372681 /nfs/dbraw/zinc/37/26/81/1067372681.db2.gz FXDVAZFBKUWWSF-BCYZHJNNSA-N 2 0 482.626 -1.016 20 0 JAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CCN1 ZINC001246484346 1067372864 /nfs/dbraw/zinc/37/28/64/1067372864.db2.gz FXDVAZFBKUWWSF-VMXHOPILSA-N 2 0 482.626 -1.016 20 0 JAADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484803 1067372794 /nfs/dbraw/zinc/37/27/94/1067372794.db2.gz JDOYAZHPGHJVIT-ATIWLJMLSA-N 2 0 468.599 -1.406 20 0 JAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484830 1067372657 /nfs/dbraw/zinc/37/26/57/1067372657.db2.gz JDOYAZHPGHJVIT-FPSMNIFISA-N 2 0 468.599 -1.406 20 0 JAADRP COC(=O)[C@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484832 1067372753 /nfs/dbraw/zinc/37/27/53/1067372753.db2.gz JDOYAZHPGHJVIT-JCECYMMASA-N 2 0 468.599 -1.406 20 0 JAADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484834 1067372500 /nfs/dbraw/zinc/37/25/00/1067372500.db2.gz JDOYAZHPGHJVIT-WKULXVSPSA-N 2 0 468.599 -1.406 20 0 JAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484952 1067372776 /nfs/dbraw/zinc/37/27/76/1067372776.db2.gz JXQXOMSDWPISTJ-BCYZHJNNSA-N 2 0 482.626 -1.016 20 0 JAADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484954 1067372621 /nfs/dbraw/zinc/37/26/21/1067372621.db2.gz JXQXOMSDWPISTJ-VMXHOPILSA-N 2 0 482.626 -1.016 20 0 JAADRP CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCN(S(C)(=O)=O)CC1)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246515817 1067374539 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C[N@@H+]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001254515073 1067380461 /nfs/dbraw/zinc/38/04/61/1067380461.db2.gz RWUJOMWDXGGHAF-BZSNNMDCSA-N 3 0 450.588 -1.375 20 0 JAADRP C[N@@H+]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001254515074 1067380517 /nfs/dbraw/zinc/38/05/17/1067380517.db2.gz RWUJOMWDXGGHAF-SQNIBIBYSA-N 3 0 450.588 -1.375 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CC3CC[NH+](CC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254852610 1067381036 /nfs/dbraw/zinc/38/10/36/1067381036.db2.gz HUKAPNWREWMTOE-FHWLQOOXSA-N 3 0 462.599 -1.375 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CC3CC[NH+](CC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254852618 1067380928 /nfs/dbraw/zinc/38/09/28/1067380928.db2.gz HUKAPNWREWMTOE-QYZOEREBSA-N 3 0 462.599 -1.375 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001254943788 1067380870 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CCOC(=O)N1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001256026408 1067382211 /nfs/dbraw/zinc/38/22/11/1067382211.db2.gz CVACVHPOJLRIEN-ULQDDVLXSA-N 2 0 480.570 -1.629 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CC[NH+](C3CC3)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256072283 1067381831 /nfs/dbraw/zinc/38/18/31/1067381831.db2.gz ACRWJKFCXOSIPL-OALUTQOASA-N 3 0 462.599 -1.233 20 0 JAADRP CCOC(=O)N1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256237574 1067382146 /nfs/dbraw/zinc/38/21/46/1067382146.db2.gz JDESXOLENDDHCM-ROUUACIJSA-N 2 0 494.597 -1.238 20 0 JAADRP C[C@H](CC(=O)N1CCOCC1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256335326 1067382424 /nfs/dbraw/zinc/38/24/24/1067382424.db2.gz OUCNIILQKRMRQB-NJAFHUGGSA-N 2 0 494.597 -2.222 20 0 JAADRP C[C@@H](CC(=O)N1CCOCC1)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256335329 1067382460 /nfs/dbraw/zinc/38/24/60/1067382460.db2.gz OUCNIILQKRMRQB-SZMVWBNQSA-N 2 0 494.597 -2.222 20 0 JAADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2CCS(=O)(=O)CC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256385255 1067382594 /nfs/dbraw/zinc/38/25/94/1067382594.db2.gz QAPPSNAIFXQLHJ-HOTGVXAUSA-N 2 0 471.584 -2.282 20 0 JAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC001256385416 1067382572 /nfs/dbraw/zinc/38/25/72/1067382572.db2.gz UBOCBRHIMZFMBB-IRXDYDNUSA-N 2 0 452.581 -1.002 20 0 JAADRP CCOC(=O)[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045798 1067382942 /nfs/dbraw/zinc/38/29/42/1067382942.db2.gz DSRQYMKZVXXUEJ-BGTYHANMSA-N 2 0 479.582 -1.128 20 0 JAADRP CCOC(=O)[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045799 1067382830 /nfs/dbraw/zinc/38/28/30/1067382830.db2.gz DSRQYMKZVXXUEJ-DKIMLUQUSA-N 2 0 479.582 -1.128 20 0 JAADRP CCOC(=O)[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045800 1067383080 /nfs/dbraw/zinc/38/30/80/1067383080.db2.gz DSRQYMKZVXXUEJ-RANZSIQMSA-N 2 0 479.582 -1.128 20 0 JAADRP CCOC(=O)[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001257045801 1067382868 /nfs/dbraw/zinc/38/28/68/1067382868.db2.gz DSRQYMKZVXXUEJ-UBDQQSCGSA-N 2 0 479.582 -1.128 20 0 JAADRP CS(=O)(=O)N1CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001257233628 1067383038 /nfs/dbraw/zinc/38/30/38/1067383038.db2.gz QOIAGKATHMOUNW-ROUUACIJSA-N 2 0 481.623 -1.155 20 0 JAADRP COC(=O)C1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001257860315 1067383556 /nfs/dbraw/zinc/38/35/56/1067383556.db2.gz IUTZTISVGNSCIR-KXIUCKCTSA-N 2 0 479.582 -1.128 20 0 JAADRP COC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258364124 1067384060 /nfs/dbraw/zinc/38/40/60/1067384060.db2.gz NAAQCXHFQODFCR-BPUTZDHNSA-N 2 0 453.544 -1.518 20 0 JAADRP COC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258364125 1067383714 /nfs/dbraw/zinc/38/37/14/1067383714.db2.gz NAAQCXHFQODFCR-KBMXLJTQSA-N 2 0 453.544 -1.518 20 0 JAADRP CCOC(=O)CC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258486923 1067383939 /nfs/dbraw/zinc/38/39/39/1067383939.db2.gz MRUCQRZMAONLOD-PVAVHDDUSA-N 2 0 467.571 -1.128 20 0 JAADRP CCOC(=O)CC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258486932 1067383988 /nfs/dbraw/zinc/38/39/88/1067383988.db2.gz MRUCQRZMAONLOD-XIRDDKMYSA-N 2 0 467.571 -1.128 20 0 JAADRP