smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c(=O)n2C ZINC000010556540 1072199447 /nfs/dbraw/zinc/19/94/47/1072199447.db2.gz QAJMZIZJRUWBEB-UHFFFAOYSA-N 1 0 376.461 -0.141 20 0 GBADRO Cn1c2ncn(CC(=O)NCc3ccc(C[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000015140322 1072194943 /nfs/dbraw/zinc/19/49/43/1072194943.db2.gz JZIDUXUDTQMVLF-UHFFFAOYSA-N 1 0 384.440 -0.188 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000016438867 530105296 /nfs/dbraw/zinc/10/52/96/530105296.db2.gz IMCXTHFCTHXMEN-HNNXBMFYSA-N 1 0 376.523 -0.963 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000016438869 530105196 /nfs/dbraw/zinc/10/51/96/530105196.db2.gz IMCXTHFCTHXMEN-OAHLLOKOSA-N 1 0 376.523 -0.963 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c(=O)n2C ZINC000016599252 1072243822 /nfs/dbraw/zinc/24/38/22/1072243822.db2.gz PEYQOGXIZRIXQE-AWEZNQCLSA-N 1 0 384.440 -0.147 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c(=O)n2C ZINC000016599253 1072243586 /nfs/dbraw/zinc/24/35/86/1072243586.db2.gz PEYQOGXIZRIXQE-CQSZACIVSA-N 1 0 384.440 -0.147 20 0 GBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000022026991 1073751103 /nfs/dbraw/zinc/75/11/03/1073751103.db2.gz MGUGKOWZFDSUOJ-ROUUACIJSA-N 1 0 396.532 -0.025 20 0 GBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000022026993 1073750580 /nfs/dbraw/zinc/75/05/80/1073750580.db2.gz MGUGKOWZFDSUOJ-QZTJIDSGSA-N 1 0 396.532 -0.025 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000022754498 1073903402 /nfs/dbraw/zinc/90/34/02/1073903402.db2.gz BNQXRJPODXOOQH-OAHLLOKOSA-N 1 0 398.467 -0.277 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000022754503 1073903445 /nfs/dbraw/zinc/90/34/45/1073903445.db2.gz BNQXRJPODXOOQH-HNNXBMFYSA-N 1 0 398.467 -0.277 20 0 GBADRO C[NH+]1CCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022860265 1073200518 /nfs/dbraw/zinc/20/05/18/1073200518.db2.gz BKUOJFQQAPCHCR-INIZCTEOSA-N 1 0 399.513 -0.305 20 0 GBADRO C[NH+]1CCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022860267 1073200471 /nfs/dbraw/zinc/20/04/71/1073200471.db2.gz BKUOJFQQAPCHCR-MRXNPFEDSA-N 1 0 399.513 -0.305 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000022912975 530105539 /nfs/dbraw/zinc/10/55/39/530105539.db2.gz KLMSWKPRYWUFTD-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000022913043 1072267223 /nfs/dbraw/zinc/26/72/23/1072267223.db2.gz NGHHMZNSBLIJJU-UHFFFAOYSA-N 1 0 399.469 -0.215 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000022913354 530105510 /nfs/dbraw/zinc/10/55/10/530105510.db2.gz VMPUQYLONCVFRF-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000022913383 530105430 /nfs/dbraw/zinc/10/54/30/530105430.db2.gz NJPPLWSIFUZKJO-UHFFFAOYSA-N 1 0 376.504 -0.880 20 0 GBADRO C[NH+](C)CCCNC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000023102428 637363496 /nfs/dbraw/zinc/36/34/96/637363496.db2.gz SWEBEEXTROUFKE-UHFFFAOYSA-N 1 0 376.464 -0.015 20 0 GBADRO O=C(NCCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000023247538 1073517200 /nfs/dbraw/zinc/51/72/00/1073517200.db2.gz MGUGKOWZFDSUOJ-HDICACEKSA-N 1 0 396.532 -0.025 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000023251448 1072232156 /nfs/dbraw/zinc/23/21/56/1072232156.db2.gz HCZAMLYOTRANFJ-KRWDZBQOSA-N 1 0 383.537 -0.835 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N(C)C)CC2)C1 ZINC000023251451 1072232210 /nfs/dbraw/zinc/23/22/10/1072232210.db2.gz HCZAMLYOTRANFJ-QGZVFWFLSA-N 1 0 383.537 -0.835 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000023253777 1073639368 /nfs/dbraw/zinc/63/93/68/1073639368.db2.gz IJWZSUROHPRPJS-SFHVURJKSA-N 1 0 395.548 -0.644 20 0 GBADRO CC1CC[NH+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000023416783 1073865119 /nfs/dbraw/zinc/86/51/19/1073865119.db2.gz MBVKDSGGYUKMMS-UHFFFAOYSA-N 1 0 376.461 -0.328 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)CN2CC[NH+](CC)CC2)c(=O)[nH]c1=O ZINC000023694440 1072270587 /nfs/dbraw/zinc/27/05/87/1072270587.db2.gz TVQDGHPAZMDKNU-UHFFFAOYSA-N 1 0 380.493 -0.091 20 0 GBADRO Cn1c2ncn(CC[NH+]3CCN(c4ccc(O)cc4)CC3)c2c(=O)n(C)c1=O ZINC000023696465 1072363874 /nfs/dbraw/zinc/36/38/74/1072363874.db2.gz PMBZAEQBXSDMAP-UHFFFAOYSA-N 1 0 384.440 -0.039 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000023700661 1072363504 /nfs/dbraw/zinc/36/35/04/1072363504.db2.gz KPKDHQSYCUKCND-OAHLLOKOSA-N 1 0 397.497 -0.015 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3cc[nH+]cc3)CC1)c(=O)n2C ZINC000023913906 1072370499 /nfs/dbraw/zinc/37/04/99/1072370499.db2.gz AYKPYNNGMBHSIB-UHFFFAOYSA-N 1 0 383.412 -0.823 20 0 GBADRO Cn1c2ncn(CC(=O)NCc3ccccc3C[NH+](C)C)c2c(=O)n(C)c1=O ZINC000024084408 1072384763 /nfs/dbraw/zinc/38/47/63/1072384763.db2.gz WRZIDZRXQYCRAB-UHFFFAOYSA-N 1 0 384.440 -0.188 20 0 GBADRO Cn1c2ncn(CC(=O)N3CCN(c4cc[nH+]cc4)CC3)c2c(=O)n(C)c1=O ZINC000024086562 1072385940 /nfs/dbraw/zinc/38/59/40/1072385940.db2.gz YHLGKOLSZSQRLC-UHFFFAOYSA-N 1 0 383.412 -0.823 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)nc2n(C)c1=O ZINC000024625551 1072982684 /nfs/dbraw/zinc/98/26/84/1072982684.db2.gz HCFTVXGKUYEWFW-UHFFFAOYSA-N 1 0 380.408 -0.010 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c(=O)n2C ZINC000025329647 1072276097 /nfs/dbraw/zinc/27/60/97/1072276097.db2.gz XQECSRYGAHFVHP-LBPRGKRZSA-N 1 0 390.469 -0.086 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c(=O)n2C ZINC000025329648 1072276332 /nfs/dbraw/zinc/27/63/32/1072276332.db2.gz XQECSRYGAHFVHP-GFCCVEGCSA-N 1 0 390.469 -0.086 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000025330098 1073919310 /nfs/dbraw/zinc/91/93/10/1073919310.db2.gz CVCAWFPZUDHPQC-LBPRGKRZSA-N 1 0 390.469 -0.086 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@H](c3ccsc3)[NH+](C)C)c2c(=O)n(C)c1=O ZINC000025330100 1073919096 /nfs/dbraw/zinc/91/90/96/1073919096.db2.gz CVCAWFPZUDHPQC-GFCCVEGCSA-N 1 0 390.469 -0.086 20 0 GBADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CCOCC1 ZINC000025374005 530128066 /nfs/dbraw/zinc/12/80/66/530128066.db2.gz YTRSBLQVVSANFY-HNNXBMFYSA-N 1 0 391.515 -0.031 20 0 GBADRO Cc1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n2ncnc2n1 ZINC000025571056 1073546810 /nfs/dbraw/zinc/54/68/10/1073546810.db2.gz VFRBIGYCILGKSZ-UHFFFAOYSA-N 1 0 380.478 -0.953 20 0 GBADRO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+](C)C ZINC000026856770 530106594 /nfs/dbraw/zinc/10/65/94/530106594.db2.gz SSSHCMMGMJJPGD-ZDUSSCGKSA-N 1 0 391.515 -0.064 20 0 GBADRO CS(=O)(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026915822 1072156053 /nfs/dbraw/zinc/15/60/53/1072156053.db2.gz UFSPUVTVZHLJIJ-UHFFFAOYSA-N 1 0 396.517 -0.517 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)[NH+]1CCCCC1)c(=O)n2C ZINC000027412690 1073035978 /nfs/dbraw/zinc/03/59/78/1073035978.db2.gz DNFCOOFFTQJXHL-UHFFFAOYSA-N 1 0 376.461 -0.186 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c(=O)n2C ZINC000027581846 1072341168 /nfs/dbraw/zinc/34/11/68/1072341168.db2.gz SUZHADRLMZOCPY-OAHLLOKOSA-N 1 0 398.467 -0.277 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c(=O)n2C ZINC000027581856 1072341570 /nfs/dbraw/zinc/34/15/70/1072341570.db2.gz SUZHADRLMZOCPY-HNNXBMFYSA-N 1 0 398.467 -0.277 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000028423374 1073905826 /nfs/dbraw/zinc/90/58/26/1073905826.db2.gz GYXXIXVWBMAHBJ-UHFFFAOYSA-N 1 0 391.472 -0.065 20 0 GBADRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029190763 1073739981 /nfs/dbraw/zinc/73/99/81/1073739981.db2.gz JLQYZIAICWYRBP-JTQLQIEISA-N 1 0 397.457 -0.432 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000029819110 1072239952 /nfs/dbraw/zinc/23/99/52/1072239952.db2.gz FXHYOXBSXXWSEA-UHFFFAOYSA-N 1 0 395.529 -0.012 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(NC(=O)C3CC3)CC1)c(=O)n2C ZINC000030285140 1073932709 /nfs/dbraw/zinc/93/27/09/1073932709.db2.gz JLKZRDPFENXKKX-UHFFFAOYSA-N 1 0 388.472 -0.186 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cnc2n(C)c1=O ZINC000030882053 1072996643 /nfs/dbraw/zinc/99/66/43/1072996643.db2.gz AAVSJBARJWIVKF-UHFFFAOYSA-N 1 0 380.408 -0.010 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC[N@@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000031337781 1073493906 /nfs/dbraw/zinc/49/39/06/1073493906.db2.gz KHWUCRZFGFSEIJ-UHFFFAOYSA-N 1 0 396.451 -0.392 20 0 GBADRO Cn1c2ncn(CC(=O)NCC[N@@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000031338145 1073493819 /nfs/dbraw/zinc/49/38/19/1073493819.db2.gz JMUNFBHUWQJNJO-UHFFFAOYSA-N 1 0 396.451 -0.392 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000031711582 1073052520 /nfs/dbraw/zinc/05/25/20/1073052520.db2.gz FPIJKIJDKBKREQ-UHFFFAOYSA-N 1 0 382.486 -0.158 20 0 GBADRO Nc1cc(N)[nH+]c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 ZINC000031820189 530204319 /nfs/dbraw/zinc/20/43/19/530204319.db2.gz AOXKKURNYMSZMY-UHFFFAOYSA-N 1 0 380.455 -0.030 20 0 GBADRO Cn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000032717689 1073908606 /nfs/dbraw/zinc/90/86/06/1073908606.db2.gz IYIAJZAEVCSUSY-UHFFFAOYSA-N 1 0 378.458 -0.303 20 0 GBADRO C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@H]1C ZINC000032732337 1072809795 /nfs/dbraw/zinc/80/97/95/1072809795.db2.gz CYMSUVOVIGIUDY-OLZOCXBDSA-N 1 0 376.461 -0.187 20 0 GBADRO C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[N@@H+]1CCCC[C@@H]1C ZINC000032732339 1072809656 /nfs/dbraw/zinc/80/96/56/1072809656.db2.gz CYMSUVOVIGIUDY-STQMWFEESA-N 1 0 376.461 -0.187 20 0 GBADRO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032758331 1072229295 /nfs/dbraw/zinc/22/92/95/1072229295.db2.gz DVHKSFSNPAUGKF-QAPCUYQASA-N 1 0 389.452 -0.046 20 0 GBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000041135338 1073241214 /nfs/dbraw/zinc/24/12/14/1073241214.db2.gz TWTLEVSLMXQMAR-UHFFFAOYSA-N 1 0 375.429 -0.558 20 0 GBADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[NH+](C)C ZINC000041322509 1073723540 /nfs/dbraw/zinc/72/35/40/1073723540.db2.gz GXGRIWJGWPKNDQ-HNNXBMFYSA-N 1 0 391.472 -0.067 20 0 GBADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[NH+](C)C ZINC000041322512 1072379738 /nfs/dbraw/zinc/37/97/38/1072379738.db2.gz GXGRIWJGWPKNDQ-OAHLLOKOSA-N 1 0 391.472 -0.067 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000041324553 1073521701 /nfs/dbraw/zinc/52/17/01/1073521701.db2.gz RRVMWJUMQNEJKJ-UHFFFAOYSA-N 1 0 391.472 -0.369 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000041324595 1073522935 /nfs/dbraw/zinc/52/29/35/1073522935.db2.gz QQCKPIBAKQXKRU-UHFFFAOYSA-N 1 0 375.473 -0.205 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000041324873 1073244084 /nfs/dbraw/zinc/24/40/84/1073244084.db2.gz WDHUGQDBFGNXQU-UHFFFAOYSA-N 1 0 386.460 -0.257 20 0 GBADRO Cc1cc(NC(=O)C(=O)NCCNS(C)(=O)=O)ccc1N1CC[NH+](C)CC1 ZINC000041404914 1073898628 /nfs/dbraw/zinc/89/86/28/1073898628.db2.gz FCTMRPVDVXGCPN-UHFFFAOYSA-N 1 0 397.501 -0.649 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000041641190 1073252878 /nfs/dbraw/zinc/25/28/78/1073252878.db2.gz LRAFMUCDHCFIHP-AWEZNQCLSA-N 1 0 386.460 -0.257 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000041641192 1073253123 /nfs/dbraw/zinc/25/31/23/1073253123.db2.gz LRAFMUCDHCFIHP-CQSZACIVSA-N 1 0 386.460 -0.257 20 0 GBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041711563 1072381101 /nfs/dbraw/zinc/38/11/01/1072381101.db2.gz VXEFSIUIROLNCI-CYBMUJFWSA-N 1 0 389.456 -0.312 20 0 GBADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000041717219 1073253797 /nfs/dbraw/zinc/25/37/97/1073253797.db2.gz RSPRBVMBSBYURI-UHFFFAOYSA-N 1 0 377.445 -0.313 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000041718103 1072380736 /nfs/dbraw/zinc/38/07/36/1072380736.db2.gz NYQGVWIHQOCLOK-UHFFFAOYSA-N 1 0 392.456 -0.069 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000041718127 1073253445 /nfs/dbraw/zinc/25/34/45/1073253445.db2.gz XWEUFPCARCZNFB-UHFFFAOYSA-N 1 0 386.460 -0.337 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2)CC1 ZINC000041718936 1072382183 /nfs/dbraw/zinc/38/21/83/1072382183.db2.gz NHAAEBUFGLDOLX-UHFFFAOYSA-N 1 0 392.456 -0.069 20 0 GBADRO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041722547 1073579657 /nfs/dbraw/zinc/57/96/57/1073579657.db2.gz ZHAVQRFJHHMRJK-UHFFFAOYSA-N 1 0 375.473 -0.033 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCOC)c1 ZINC000041923027 1072166864 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20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000042535978 530103358 /nfs/dbraw/zinc/10/33/58/530103358.db2.gz SILMAMQQUYGASR-GASCZTMLSA-N 1 0 376.523 -0.821 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000042535981 530103374 /nfs/dbraw/zinc/10/33/74/530103374.db2.gz SILMAMQQUYGASR-GJZGRUSLSA-N 1 0 376.523 -0.821 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000042535984 530103610 /nfs/dbraw/zinc/10/36/10/530103610.db2.gz SILMAMQQUYGASR-HUUCEWRRSA-N 1 0 376.523 -0.821 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000042538248 1072300361 /nfs/dbraw/zinc/30/03/61/1072300361.db2.gz VRSKYHGTHLGVAA-UHFFFAOYSA-N 1 0 379.505 -0.602 20 0 GBADRO O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000042575038 1073305067 /nfs/dbraw/zinc/30/50/67/1073305067.db2.gz ZJSSOUHZSPHVJQ-UHFFFAOYSA-N 1 0 393.532 -0.794 20 0 GBADRO CC(C)C[C@@H](CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[NH+](C)C 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CC(C)[NH+](CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C ZINC000043064132 1073533288 /nfs/dbraw/zinc/53/32/88/1073533288.db2.gz XRRFCKMWQRPHIR-UHFFFAOYSA-N 1 0 397.520 -0.182 20 0 GBADRO COC(=O)CCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000043067229 1073535817 /nfs/dbraw/zinc/53/58/17/1073535817.db2.gz HNDLXQHRCCYMNQ-UHFFFAOYSA-N 1 0 384.458 -0.397 20 0 GBADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCC1 ZINC000043147244 1072248846 /nfs/dbraw/zinc/24/88/46/1072248846.db2.gz XQACYMVDLLCPAZ-UHFFFAOYSA-N 1 0 395.504 -0.427 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000043179470 1073026849 /nfs/dbraw/zinc/02/68/49/1073026849.db2.gz OPDBJIHEKBDTJE-UHFFFAOYSA-N 1 0 395.504 -0.428 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000043820182 1072215489 /nfs/dbraw/zinc/21/54/89/1072215489.db2.gz UGMLFNBIUNHVOY-MRXNPFEDSA-N 1 0 395.504 -0.524 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000043820185 1072214939 /nfs/dbraw/zinc/21/49/39/1072214939.db2.gz UGMLFNBIUNHVOY-INIZCTEOSA-N 1 0 395.504 -0.524 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000043820818 1072226890 /nfs/dbraw/zinc/22/68/90/1072226890.db2.gz AEKIAOUBTIXIPM-OAHLLOKOSA-N 1 0 391.538 -0.523 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000043820821 1072226760 /nfs/dbraw/zinc/22/67/60/1072226760.db2.gz AEKIAOUBTIXIPM-HNNXBMFYSA-N 1 0 391.538 -0.523 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000043822503 1072228580 /nfs/dbraw/zinc/22/85/80/1072228580.db2.gz AZLOJPADGHWLGH-QGZVFWFLSA-N 1 0 381.521 -0.051 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000043822506 1072228428 /nfs/dbraw/zinc/22/84/28/1072228428.db2.gz AZLOJPADGHWLGH-KRWDZBQOSA-N 1 0 381.521 -0.051 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(C[NH+](C)C)c1)c(=O)n2C ZINC000043977285 1073387123 /nfs/dbraw/zinc/38/71/23/1073387123.db2.gz HFEOOERUDWCCQS-UHFFFAOYSA-N 1 0 384.440 -0.188 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000044138183 637468993 /nfs/dbraw/zinc/46/89/93/637468993.db2.gz VILDHUCAHGMRRC-OKILXGFUSA-N 1 0 393.579 -0.606 20 0 GBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=S)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000044138185 637469181 /nfs/dbraw/zinc/46/91/81/637469181.db2.gz VILDHUCAHGMRRC-KBPBESRZSA-N 1 0 393.579 -0.606 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)NCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000044138188 637469119 /nfs/dbraw/zinc/46/91/19/637469119.db2.gz VILDHUCAHGMRRC-ZIAGYGMSSA-N 1 0 393.579 -0.606 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cncc(Br)c1 ZINC000044243670 530104609 /nfs/dbraw/zinc/10/46/09/530104609.db2.gz IMCGVLCXACZMDR-UHFFFAOYSA-N 1 0 377.264 -0.104 20 0 GBADRO C[NH+](C)CCCNC(=S)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000044665596 637478392 /nfs/dbraw/zinc/47/83/92/637478392.db2.gz BNZLRGNEFVBWIJ-UHFFFAOYSA-N 1 0 379.552 -0.993 20 0 GBADRO O=C(NCCC[NH+]1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000045121382 1073424101 /nfs/dbraw/zinc/42/41/01/1073424101.db2.gz PXZJYIFAGGZSEW-UHFFFAOYSA-N 1 0 389.522 -0.624 20 0 GBADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000045410285 1073430660 /nfs/dbraw/zinc/43/06/60/1073430660.db2.gz BDJBMPTTYTVTHU-UHFFFAOYSA-N 1 0 393.488 -0.674 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000045454592 1073430321 /nfs/dbraw/zinc/43/03/21/1073430321.db2.gz MEXVQSIXIQSZKY-GASCZTMLSA-N 1 0 395.504 -0.382 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@H](C)O1 ZINC000045454593 1073430391 /nfs/dbraw/zinc/43/03/91/1073430391.db2.gz MEXVQSIXIQSZKY-GJZGRUSLSA-N 1 0 395.504 -0.382 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C[C@@H](C)O1 ZINC000045454594 1073430702 /nfs/dbraw/zinc/43/07/02/1073430702.db2.gz MEXVQSIXIQSZKY-HUUCEWRRSA-N 1 0 395.504 -0.382 20 0 GBADRO CC[NH+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000045544682 637590137 /nfs/dbraw/zinc/59/01/37/637590137.db2.gz PQCJNLZQIZFUOE-UHFFFAOYSA-N 1 0 377.511 -0.768 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000045632921 1073434329 /nfs/dbraw/zinc/43/43/29/1073434329.db2.gz LCHWVZZYTPHIAX-GASCZTMLSA-N 1 0 391.538 -0.381 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000045632923 1073434260 /nfs/dbraw/zinc/43/42/60/1073434260.db2.gz LCHWVZZYTPHIAX-GJZGRUSLSA-N 1 0 391.538 -0.381 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000045632925 1073433947 /nfs/dbraw/zinc/43/39/47/1073433947.db2.gz LCHWVZZYTPHIAX-HUUCEWRRSA-N 1 0 391.538 -0.381 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045633716 1072420960 /nfs/dbraw/zinc/42/09/60/1072420960.db2.gz KHTYARMFXZAKHK-IYBDPMFKSA-N 1 0 397.520 -0.136 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000045633717 1073436857 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C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000046392103 1072485102 /nfs/dbraw/zinc/48/51/02/1072485102.db2.gz ULHQKDHIUSRXOI-MRXNPFEDSA-N 1 0 395.504 -0.569 20 0 GBADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000046392105 1072484904 /nfs/dbraw/zinc/48/49/04/1072484904.db2.gz ULHQKDHIUSRXOI-INIZCTEOSA-N 1 0 395.504 -0.569 20 0 GBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000046750067 530143269 /nfs/dbraw/zinc/14/32/69/530143269.db2.gz QTFNLBLIKKMLMI-UHFFFAOYSA-N 1 0 377.511 -0.768 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000046753933 530143350 /nfs/dbraw/zinc/14/33/50/530143350.db2.gz ASKVFEPXRSZAAM-UHFFFAOYSA-N 1 0 377.555 -0.015 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000046754187 1070935456 /nfs/dbraw/zinc/93/54/56/1070935456.db2.gz KRSBUSXFRWPOMD-MRXNPFEDSA-N 1 0 375.539 -0.215 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000046754189 1070935366 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376.461 -0.328 20 0 GBADRO CCN1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(=O)C1=O ZINC000046904326 1073946271 /nfs/dbraw/zinc/94/62/71/1073946271.db2.gz AQVZKUMBOYTVSY-UHFFFAOYSA-N 1 0 380.489 -0.172 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000046994744 1072435256 /nfs/dbraw/zinc/43/52/56/1072435256.db2.gz NPXVUEHSSQEKBQ-NFAWXSAZSA-N 1 0 382.486 -0.105 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000047054301 1072237639 /nfs/dbraw/zinc/23/76/39/1072237639.db2.gz XLVOEFYCDOKUGE-OAHLLOKOSA-N 1 0 379.486 -0.013 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000047054303 1072237577 /nfs/dbraw/zinc/23/75/77/1072237577.db2.gz XLVOEFYCDOKUGE-HNNXBMFYSA-N 1 0 379.486 -0.013 20 0 GBADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000047105542 1073341489 /nfs/dbraw/zinc/34/14/89/1073341489.db2.gz TWDHSLBHLRDYLB-HOTGVXAUSA-N 1 0 393.488 -0.674 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000047105543 1073341174 /nfs/dbraw/zinc/34/11/74/1073341174.db2.gz TWDHSLBHLRDYLB-CVEARBPZSA-N 1 0 393.488 -0.674 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000047156066 1072436197 /nfs/dbraw/zinc/43/61/97/1072436197.db2.gz QDSBDDCYVKDRHB-UHFFFAOYSA-N 1 0 382.486 -0.169 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000047157579 1072435888 /nfs/dbraw/zinc/43/58/88/1072435888.db2.gz PMCFVNLXRJADJE-UHFFFAOYSA-N 1 0 382.486 -0.658 20 0 GBADRO O=C(CNC1=NS(=O)(=O)c2ccccc21)NCCCC[NH+]1CCOCC1 ZINC000047216339 1072436762 /nfs/dbraw/zinc/43/67/62/1072436762.db2.gz YCFCVAFASMIUKK-UHFFFAOYSA-N 1 0 380.470 -0.046 20 0 GBADRO CC(=O)NCC1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000047771815 1072432609 /nfs/dbraw/zinc/43/26/09/1072432609.db2.gz BKPUEXGGJNXJKF-UHFFFAOYSA-N 1 0 395.548 -0.107 20 0 GBADRO CS(=O)(=O)NCCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047946673 1072469313 /nfs/dbraw/zinc/46/93/13/1072469313.db2.gz XXMHVVMCTWRISD-UHFFFAOYSA-N 1 0 383.518 -0.347 20 0 GBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 ZINC000047962138 1070977937 /nfs/dbraw/zinc/97/79/37/1070977937.db2.gz POVOFWUTKOFYKQ-UHFFFAOYSA-N 1 0 393.488 -0.423 20 0 GBADRO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000047970362 1072475642 /nfs/dbraw/zinc/47/56/42/1072475642.db2.gz ODBVHJKPKYHDLB-OAHLLOKOSA-N 1 0 386.518 -0.193 20 0 GBADRO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000047970365 1072475718 /nfs/dbraw/zinc/47/57/18/1072475718.db2.gz ODBVHJKPKYHDLB-HNNXBMFYSA-N 1 0 386.518 -0.193 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047981895 1073481568 /nfs/dbraw/zinc/48/15/68/1073481568.db2.gz DKIFTWGHDXSQCD-KRWDZBQOSA-N 1 0 393.532 -0.543 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000047981896 1073481000 /nfs/dbraw/zinc/48/10/00/1073481000.db2.gz DKIFTWGHDXSQCD-QGZVFWFLSA-N 1 0 393.532 -0.543 20 0 GBADRO COCC(=O)N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000047996345 1073480210 /nfs/dbraw/zinc/48/02/10/1073480210.db2.gz DLWABVDKQFEAQN-UHFFFAOYSA-N 1 0 396.532 -0.072 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000048024650 1073481150 /nfs/dbraw/zinc/48/11/50/1073481150.db2.gz DCSZSSMTAOPOPR-UHFFFAOYSA-N 1 0 381.521 -0.367 20 0 GBADRO Cc1cc(NC(=O)CSCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)no1 ZINC000048189577 1072514297 /nfs/dbraw/zinc/51/42/97/1072514297.db2.gz JIIMSXQJPKNKRN-UHFFFAOYSA-N 1 0 383.474 -0.113 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCCC[NH+]1CCOCC1 ZINC000048285491 530175763 /nfs/dbraw/zinc/17/57/63/530175763.db2.gz MJCKTCAZRUZCCA-UHFFFAOYSA-N 1 0 389.250 -0.472 20 0 GBADRO Cn1c2ncn(CCC(=O)NCCCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000048285833 1072548798 /nfs/dbraw/zinc/54/87/98/1072548798.db2.gz DYKKOUCEBHIEGL-UHFFFAOYSA-N 1 0 392.460 -0.948 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000048287361 1072549805 /nfs/dbraw/zinc/54/98/05/1072549805.db2.gz IVKGLLBWMRBZQU-HUUCEWRRSA-N 1 0 387.502 -0.749 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000048287364 1072549834 /nfs/dbraw/zinc/54/98/34/1072549834.db2.gz IVKGLLBWMRBZQU-CABCVRRESA-N 1 0 387.502 -0.749 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000048287366 1072549148 /nfs/dbraw/zinc/54/91/48/1072549148.db2.gz IVKGLLBWMRBZQU-LSDHHAIUSA-N 1 0 387.502 -0.749 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000048287369 1072549545 /nfs/dbraw/zinc/54/95/45/1072549545.db2.gz IVKGLLBWMRBZQU-GJZGRUSLSA-N 1 0 387.502 -0.749 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)ccn2)CC1 ZINC000048330648 1073490599 /nfs/dbraw/zinc/49/05/99/1073490599.db2.gz HVEGRPGSUQLWSX-HNNXBMFYSA-N 1 0 381.502 -0.126 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)ccn2)CC1 ZINC000048330651 1073490772 /nfs/dbraw/zinc/49/07/72/1073490772.db2.gz HVEGRPGSUQLWSX-OAHLLOKOSA-N 1 0 381.502 -0.126 20 0 GBADRO Cn1cc(/C=C/C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c(=O)n(C)c1=O ZINC000048334686 1072557144 /nfs/dbraw/zinc/55/71/44/1072557144.db2.gz VVXFLVTYADXOBV-SNAWJCMRSA-N 1 0 398.467 -0.440 20 0 GBADRO Cn1ncc2c1ncn(CC(=O)NCc1ccnc(N3CC[NH+](C)CC3)c1)c2=O ZINC000048335677 1073490638 /nfs/dbraw/zinc/49/06/38/1073490638.db2.gz FJGHITYAVUHJGS-UHFFFAOYSA-N 1 0 396.455 -0.407 20 0 GBADRO COCCN1C[C@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000048336988 1072558079 /nfs/dbraw/zinc/55/80/79/1072558079.db2.gz WOLWPGRKAOYRKR-MRXNPFEDSA-N 1 0 375.473 -0.056 20 0 GBADRO COCCN1C[C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1=O ZINC000048336991 1072558374 /nfs/dbraw/zinc/55/83/74/1072558374.db2.gz WOLWPGRKAOYRKR-INIZCTEOSA-N 1 0 375.473 -0.056 20 0 GBADRO CCN1CCN(CC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C(=O)C1=O ZINC000048337074 1072558439 /nfs/dbraw/zinc/55/84/39/1072558439.db2.gz MHQNUUBYVSQLTQ-UHFFFAOYSA-N 1 0 388.472 -0.860 20 0 GBADRO COCC[N@@H+]1CCCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000048428026 1072578678 /nfs/dbraw/zinc/57/86/78/1072578678.db2.gz CZYBDCLYXATFSO-UHFFFAOYSA-N 1 0 392.460 -0.996 20 0 GBADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000048429073 1072579682 /nfs/dbraw/zinc/57/96/82/1072579682.db2.gz PWUNDUAUDURCNQ-HUUCEWRRSA-N 1 0 387.502 -0.797 20 0 GBADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000048429075 1072579657 /nfs/dbraw/zinc/57/96/57/1072579657.db2.gz PWUNDUAUDURCNQ-LSDHHAIUSA-N 1 0 387.502 -0.797 20 0 GBADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1N1CC[NH+](C)CC1 ZINC000048589930 1071004727 /nfs/dbraw/zinc/00/47/27/1071004727.db2.gz GTOHVNPNMNDQEU-OAHLLOKOSA-N 1 0 394.497 -0.011 20 0 GBADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1N1CC[NH+](C)CC1 ZINC000048589931 1071004063 /nfs/dbraw/zinc/00/40/63/1071004063.db2.gz GTOHVNPNMNDQEU-HNNXBMFYSA-N 1 0 394.497 -0.011 20 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/nfs/dbraw/zinc/28/00/25/1072280025.db2.gz YYAWHSBTSOGELX-UHFFFAOYSA-N 1 0 386.474 -0.048 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCCNC(C)=O)c1 ZINC000048736572 1072365054 /nfs/dbraw/zinc/36/50/54/1072365054.db2.gz DNOSAJHVTZAOJX-UHFFFAOYSA-N 1 0 391.472 -0.051 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCCC1 ZINC000048752158 1072371685 /nfs/dbraw/zinc/37/16/85/1072371685.db2.gz JJUTXCHDJLZVBG-UHFFFAOYSA-N 1 0 389.456 -0.169 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000048773240 1071012808 /nfs/dbraw/zinc/01/28/08/1071012808.db2.gz NMGNXNYXULUGRM-UHFFFAOYSA-N 1 0 389.456 -0.171 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000048773732 1071013843 /nfs/dbraw/zinc/01/38/43/1071013843.db2.gz YLXULHGASBPGAG-UHFFFAOYSA-N 1 0 390.440 -0.333 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000048773986 1071013347 /nfs/dbraw/zinc/01/33/47/1071013347.db2.gz PHOWBLRRICXGMW-UHFFFAOYSA-N 1 0 376.413 -0.262 20 0 GBADRO COc1cc(C[NH2+]CCC(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000048786519 1073017889 /nfs/dbraw/zinc/01/78/89/1073017889.db2.gz UDEVJJLHHPNQFI-UHFFFAOYSA-N 1 0 381.429 -0.094 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC000048842703 1072445003 /nfs/dbraw/zinc/44/50/03/1072445003.db2.gz YFNGGXWLNOZTMM-UHFFFAOYSA-N 1 0 385.468 -0.010 20 0 GBADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000048883398 1071016540 /nfs/dbraw/zinc/01/65/40/1071016540.db2.gz KEFSTIYHMGMZLY-UHFFFAOYSA-N 1 0 375.429 -0.559 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NC)c1 ZINC000048958963 1072451351 /nfs/dbraw/zinc/45/13/51/1072451351.db2.gz YHCGSIZVJIISHE-UHFFFAOYSA-N 1 0 377.445 -0.441 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC000048974752 1072455298 /nfs/dbraw/zinc/45/52/98/1072455298.db2.gz QBANYPWBQYIEJM-UHFFFAOYSA-N 1 0 391.472 -0.099 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000048974767 1072455567 /nfs/dbraw/zinc/45/55/67/1072455567.db2.gz REGWNGUOGVIGNZ-UHFFFAOYSA-N 1 0 375.473 -0.033 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000049049035 1073507377 /nfs/dbraw/zinc/50/73/77/1073507377.db2.gz YTIPJJPNQIWWDS-MRXNPFEDSA-N 1 0 392.456 -0.038 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000049049039 1073509026 /nfs/dbraw/zinc/50/90/26/1073509026.db2.gz YTIPJJPNQIWWDS-INIZCTEOSA-N 1 0 392.456 -0.038 20 0 GBADRO COC(=O)COc1cccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000049277881 1073472923 /nfs/dbraw/zinc/47/29/23/1073472923.db2.gz GNHQROLQZMTJQC-UHFFFAOYSA-N 1 0 392.456 -0.069 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000049278630 1071033022 /nfs/dbraw/zinc/03/30/22/1071033022.db2.gz KILWPCOMIYSIAJ-UHFFFAOYSA-N 1 0 377.445 -0.757 20 0 GBADRO COCC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000049278691 1071033070 /nfs/dbraw/zinc/03/30/70/1071033070.db2.gz PSNZEAKQDXRUCD-UHFFFAOYSA-N 1 0 391.472 -0.036 20 0 GBADRO COC(=O)COc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000049278870 1073473010 /nfs/dbraw/zinc/47/30/10/1073473010.db2.gz CWSKLROZHDZKIZ-UHFFFAOYSA-N 1 0 392.456 -0.069 20 0 GBADRO CNC(=O)Cc1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000049278970 1071032825 /nfs/dbraw/zinc/03/28/25/1071032825.db2.gz BSQXCFHFLXZKGD-UHFFFAOYSA-N 1 0 375.473 -0.333 20 0 GBADRO CN1C(=O)c2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2C1=O ZINC000049279412 1073511549 /nfs/dbraw/zinc/51/15/49/1073511549.db2.gz MDYQGHDVRVJTHZ-UHFFFAOYSA-N 1 0 387.440 -0.395 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000049279731 1071032982 /nfs/dbraw/zinc/03/29/82/1071032982.db2.gz CNEGEZLSZFCSCO-UHFFFAOYSA-N 1 0 375.429 -0.290 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000049279794 1071032910 /nfs/dbraw/zinc/03/29/10/1071032910.db2.gz TYRJYHUWHQDTTO-UHFFFAOYSA-N 1 0 382.486 -0.218 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000049279820 1071032848 /nfs/dbraw/zinc/03/28/48/1071032848.db2.gz YLEAIPYLYXISGS-UHFFFAOYSA-N 1 0 388.472 -0.092 20 0 GBADRO O=C(CCNC(=O)NCCCC[NH+]1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000049365077 1071035947 /nfs/dbraw/zinc/03/59/47/1071035947.db2.gz GYPAFGGPBQDYFD-CQSZACIVSA-N 1 0 390.506 -0.909 20 0 GBADRO O=C(CCNC(=O)NCCCC[NH+]1CCOCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000049365081 1071035888 /nfs/dbraw/zinc/03/58/88/1071035888.db2.gz GYPAFGGPBQDYFD-AWEZNQCLSA-N 1 0 390.506 -0.909 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050165490 1073641951 /nfs/dbraw/zinc/64/19/51/1073641951.db2.gz OGBNRUMILUHVLM-UHFFFAOYSA-N 1 0 388.472 -0.431 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000050166799 1073641845 /nfs/dbraw/zinc/64/18/45/1073641845.db2.gz RKQXEWVKFTWQBS-UHFFFAOYSA-N 1 0 377.445 -0.100 20 0 GBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000050203766 1071060135 /nfs/dbraw/zinc/06/01/35/1071060135.db2.gz WQKPZFMVRKKVEF-OAHLLOKOSA-N 1 0 387.440 -0.463 20 0 GBADRO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000050203767 1071060173 /nfs/dbraw/zinc/06/01/73/1071060173.db2.gz WQKPZFMVRKKVEF-HNNXBMFYSA-N 1 0 387.440 -0.463 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)nn1 ZINC000050796834 1073950428 /nfs/dbraw/zinc/95/04/28/1073950428.db2.gz WUVFLPKNDJFVPS-UHFFFAOYSA-N 1 0 377.493 -0.345 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000050798550 1071085737 /nfs/dbraw/zinc/08/57/37/1071085737.db2.gz HTUDAJLJGOFCRY-UHFFFAOYSA-N 1 0 398.533 -0.627 20 0 GBADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050799719 1071085292 /nfs/dbraw/zinc/08/52/92/1071085292.db2.gz JJRHXNBWWBZHGH-UHFFFAOYSA-N 1 0 377.489 -0.021 20 0 GBADRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000050800035 1072543252 /nfs/dbraw/zinc/54/32/52/1072543252.db2.gz YLGWZRRJEHLCMK-SNAWJCMRSA-N 1 0 389.500 -0.228 20 0 GBADRO CC(=O)NC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000050991365 1071094388 /nfs/dbraw/zinc/09/43/88/1071094388.db2.gz IUYYUQIYSFAQTO-UHFFFAOYSA-N 1 0 396.513 -0.017 20 0 GBADRO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000050994624 530198854 /nfs/dbraw/zinc/19/88/54/530198854.db2.gz NZWVFIVFOUSNLE-CQSZACIVSA-N 1 0 376.523 -0.378 20 0 GBADRO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000050994626 530199118 /nfs/dbraw/zinc/19/91/18/530199118.db2.gz NZWVFIVFOUSNLE-AWEZNQCLSA-N 1 0 376.523 -0.378 20 0 GBADRO CCCNC(=O)[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000050999685 1073149262 /nfs/dbraw/zinc/14/92/62/1073149262.db2.gz ITWDBXSUCCCMIW-CYBMUJFWSA-N 1 0 376.461 -0.328 20 0 GBADRO CCCNC(=O)[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000050999689 1073149422 /nfs/dbraw/zinc/14/94/22/1073149422.db2.gz ITWDBXSUCCCMIW-ZDUSSCGKSA-N 1 0 376.461 -0.328 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)C1 ZINC000051043007 1073673234 /nfs/dbraw/zinc/67/32/34/1073673234.db2.gz QJQQLUKUALWWRI-GFCCVEGCSA-N 1 0 379.461 -0.050 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)C1 ZINC000051043009 1073673212 /nfs/dbraw/zinc/67/32/12/1073673212.db2.gz QJQQLUKUALWWRI-LBPRGKRZSA-N 1 0 379.461 -0.050 20 0 GBADRO NC(=O)[C@@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000051103970 1073200368 /nfs/dbraw/zinc/20/03/68/1073200368.db2.gz VUENVVBWIVCVRL-SFHVURJKSA-N 1 0 388.468 -0.548 20 0 GBADRO NC(=O)[C@H]1CN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000051103973 1073200182 /nfs/dbraw/zinc/20/01/82/1073200182.db2.gz VUENVVBWIVCVRL-GOSISDBHSA-N 1 0 388.468 -0.548 20 0 GBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)cc1 ZINC000051105481 1073200779 /nfs/dbraw/zinc/20/07/79/1073200779.db2.gz PHBQFWBMXJUKQM-SFHVURJKSA-N 1 0 390.484 -0.084 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000051122204 1073680178 /nfs/dbraw/zinc/68/01/78/1073680178.db2.gz AKIQSYWWEHUBBW-UHFFFAOYSA-N 1 0 381.502 -0.448 20 0 GBADRO Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2n(C)c1=O ZINC000051136259 1073682192 /nfs/dbraw/zinc/68/21/92/1073682192.db2.gz UZOYPORVIJVWKL-UHFFFAOYSA-N 1 0 395.485 -0.729 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000051155174 1071102530 /nfs/dbraw/zinc/10/25/30/1071102530.db2.gz UAMPBVSMEAEBRV-OKILXGFUSA-N 1 0 376.523 -0.127 20 0 GBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000051155175 1071102448 /nfs/dbraw/zinc/10/24/48/1071102448.db2.gz UAMPBVSMEAEBRV-KBPBESRZSA-N 1 0 376.523 -0.127 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000051155176 1071102334 /nfs/dbraw/zinc/10/23/34/1071102334.db2.gz UAMPBVSMEAEBRV-ZIAGYGMSSA-N 1 0 376.523 -0.127 20 0 GBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000051202372 1072165937 /nfs/dbraw/zinc/16/59/37/1072165937.db2.gz BTCGYTWXPGJYFO-CQSZACIVSA-N 1 0 390.506 -0.788 20 0 GBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000051202373 1072166151 /nfs/dbraw/zinc/16/61/51/1072166151.db2.gz BTCGYTWXPGJYFO-AWEZNQCLSA-N 1 0 390.506 -0.788 20 0 GBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000051202384 1072166233 /nfs/dbraw/zinc/16/62/33/1072166233.db2.gz QXEQWGAMTUEWIT-OAHLLOKOSA-N 1 0 396.488 -0.543 20 0 GBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC000051202386 1072166172 /nfs/dbraw/zinc/16/61/72/1072166172.db2.gz QXEQWGAMTUEWIT-HNNXBMFYSA-N 1 0 396.488 -0.543 20 0 GBADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000051202389 1072166317 /nfs/dbraw/zinc/16/63/17/1072166317.db2.gz IZDXOICFJRIORS-CQSZACIVSA-N 1 0 394.472 -0.789 20 0 GBADRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000051202391 1072166064 /nfs/dbraw/zinc/16/60/64/1072166064.db2.gz IZDXOICFJRIORS-AWEZNQCLSA-N 1 0 394.472 -0.789 20 0 GBADRO CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000051210174 1073689858 /nfs/dbraw/zinc/68/98/58/1073689858.db2.gz KNWNZDZSOSVFBV-UHFFFAOYSA-N 1 0 398.485 -0.057 20 0 GBADRO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCNC(=O)C3)CC2)cc1 ZINC000051261089 1072180409 /nfs/dbraw/zinc/18/04/09/1072180409.db2.gz SSWNZJIBHDWZJQ-UHFFFAOYSA-N 1 0 389.500 -0.245 20 0 GBADRO CN(CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051463939 1071112741 /nfs/dbraw/zinc/11/27/41/1071112741.db2.gz CFOCXDKGJYWWNR-QGZVFWFLSA-N 1 0 386.562 -0.220 20 0 GBADRO CN(CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051463941 1071112528 /nfs/dbraw/zinc/11/25/28/1071112528.db2.gz CFOCXDKGJYWWNR-KRWDZBQOSA-N 1 0 386.562 -0.220 20 0 GBADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000051531043 1073760522 /nfs/dbraw/zinc/76/05/22/1073760522.db2.gz ABYKHXWVMKULGC-KRWDZBQOSA-N 1 0 392.500 -0.362 20 0 GBADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000051531044 1073760245 /nfs/dbraw/zinc/76/02/45/1073760245.db2.gz ABYKHXWVMKULGC-QGZVFWFLSA-N 1 0 392.500 -0.362 20 0 GBADRO CC(C)[NH+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000051535961 1073574962 /nfs/dbraw/zinc/57/49/62/1073574962.db2.gz KUSWNSNATSKHSB-UHFFFAOYSA-N 1 0 381.521 -0.985 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000051589595 530204273 /nfs/dbraw/zinc/20/42/73/530204273.db2.gz QMUOSYLFEYGJCK-GJZGRUSLSA-N 1 0 376.523 -0.174 20 0 GBADRO COCCCNC(=O)C[N@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000051649690 1073582814 /nfs/dbraw/zinc/58/28/14/1073582814.db2.gz ADRNPGHFYFZROB-UHFFFAOYSA-N 1 0 378.477 -0.400 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000051676669 1073776000 /nfs/dbraw/zinc/77/60/00/1073776000.db2.gz DXYVNDKCDPJKGJ-KRWDZBQOSA-N 1 0 375.473 -0.300 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000051676670 1073776042 /nfs/dbraw/zinc/77/60/42/1073776042.db2.gz DXYVNDKCDPJKGJ-QGZVFWFLSA-N 1 0 375.473 -0.300 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000051681683 1073777630 /nfs/dbraw/zinc/77/76/30/1073777630.db2.gz JGZVBFSFHNOKPK-UHFFFAOYSA-N 1 0 398.533 -0.038 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051683419 1073778468 /nfs/dbraw/zinc/77/84/68/1073778468.db2.gz QWNWATAXVUFMDX-KRWDZBQOSA-N 1 0 375.473 -0.170 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000051683421 1073778579 /nfs/dbraw/zinc/77/85/79/1073778579.db2.gz QWNWATAXVUFMDX-QGZVFWFLSA-N 1 0 375.473 -0.170 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000051683665 1073778662 /nfs/dbraw/zinc/77/86/62/1073778662.db2.gz MZWXLFXZQBKBMY-UHFFFAOYSA-N 1 0 398.533 -0.038 20 0 GBADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000051688492 1073783630 /nfs/dbraw/zinc/78/36/30/1073783630.db2.gz HRAOBTZKHWFUFL-GASCZTMLSA-N 1 0 388.534 -0.031 20 0 GBADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000051688493 1073783671 /nfs/dbraw/zinc/78/36/71/1073783671.db2.gz HRAOBTZKHWFUFL-HUUCEWRRSA-N 1 0 388.534 -0.031 20 0 GBADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)C1CC1 ZINC000051688539 1073783828 /nfs/dbraw/zinc/78/38/28/1073783828.db2.gz ZLKXMUUUUBDCKR-UHFFFAOYSA-N 1 0 384.458 -0.304 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000051713617 1073833961 /nfs/dbraw/zinc/83/39/61/1073833961.db2.gz KRUBISDSEXWGTG-UHFFFAOYSA-N 1 0 398.533 -0.038 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000051714993 1072361692 /nfs/dbraw/zinc/36/16/92/1072361692.db2.gz USRDRLANNSADDM-CYBMUJFWSA-N 1 0 383.405 -0.193 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000051714996 1072361985 /nfs/dbraw/zinc/36/19/85/1072361985.db2.gz USRDRLANNSADDM-ZDUSSCGKSA-N 1 0 383.405 -0.193 20 0 GBADRO CCOCCCNC(=O)C1CC[NH+](CC(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000051737860 1071123509 /nfs/dbraw/zinc/12/35/09/1071123509.db2.gz HBDCNRYJFDBZIO-UHFFFAOYSA-N 1 0 382.505 -0.035 20 0 GBADRO CCOCCCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000051738198 1073591516 /nfs/dbraw/zinc/59/15/16/1073591516.db2.gz KNMWAUROYXNWBY-UHFFFAOYSA-N 1 0 382.505 -0.068 20 0 GBADRO CN1CCC([NH+]2CCC(NC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000051759174 1073593427 /nfs/dbraw/zinc/59/34/27/1073593427.db2.gz JAKTVOQKOQWRDY-UHFFFAOYSA-N 1 0 387.550 -0.168 20 0 GBADRO COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051760088 1073842318 /nfs/dbraw/zinc/84/23/18/1073842318.db2.gz NWNPVYRPAURIKY-INIZCTEOSA-N 1 0 379.457 -0.081 20 0 GBADRO COC(=O)c1ccc(OC[C@H](O)CN2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051760091 1073842756 /nfs/dbraw/zinc/84/27/56/1073842756.db2.gz NWNPVYRPAURIKY-MRXNPFEDSA-N 1 0 379.457 -0.081 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000051760893 1073593366 /nfs/dbraw/zinc/59/33/66/1073593366.db2.gz NLRNIPFHPZOXQS-UHFFFAOYSA-N 1 0 391.472 -0.730 20 0 GBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051761745 1073593314 /nfs/dbraw/zinc/59/33/14/1073593314.db2.gz VQAXCNYTYKASJA-HUUCEWRRSA-N 1 0 388.534 -0.884 20 0 GBADRO CCN(C(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051761748 1073593681 /nfs/dbraw/zinc/59/36/81/1073593681.db2.gz VQAXCNYTYKASJA-CABCVRRESA-N 1 0 388.534 -0.884 20 0 GBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051761753 1073593650 /nfs/dbraw/zinc/59/36/50/1073593650.db2.gz VQAXCNYTYKASJA-LSDHHAIUSA-N 1 0 388.534 -0.884 20 0 GBADRO CCN(C(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051761756 1073593789 /nfs/dbraw/zinc/59/37/89/1073593789.db2.gz VQAXCNYTYKASJA-GJZGRUSLSA-N 1 0 388.534 -0.884 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000051761855 1073593627 /nfs/dbraw/zinc/59/36/27/1073593627.db2.gz AOHVWNQGGCAKEI-OAHLLOKOSA-N 1 0 376.457 -0.352 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000051761857 1073593612 /nfs/dbraw/zinc/59/36/12/1073593612.db2.gz AOHVWNQGGCAKEI-HNNXBMFYSA-N 1 0 376.457 -0.352 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000051761889 1073842592 /nfs/dbraw/zinc/84/25/92/1073842592.db2.gz SZSDFGAGNIKRFR-QGZVFWFLSA-N 1 0 383.537 -0.835 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000051761891 1073842428 /nfs/dbraw/zinc/84/24/28/1073842428.db2.gz SZSDFGAGNIKRFR-KRWDZBQOSA-N 1 0 383.537 -0.835 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000051762200 1073843732 /nfs/dbraw/zinc/84/37/32/1073843732.db2.gz HUQYLWOTKKMFNU-UHFFFAOYSA-N 1 0 389.500 -0.404 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000051762464 1073843670 /nfs/dbraw/zinc/84/36/70/1073843670.db2.gz KVWMJEHMDZJRAA-UHFFFAOYSA-N 1 0 393.513 -0.092 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000051762886 1073593472 /nfs/dbraw/zinc/59/34/72/1073593472.db2.gz JHOCWSCZDIGHLA-UHFFFAOYSA-N 1 0 393.463 -0.260 20 0 GBADRO CCOC(=O)N1CCC(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000051762983 1072369198 /nfs/dbraw/zinc/36/91/98/1072369198.db2.gz FKVMLGQHUGMFFK-UHFFFAOYSA-N 1 0 383.493 -0.571 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000051763380 1073843585 /nfs/dbraw/zinc/84/35/85/1073843585.db2.gz JJXCERHHXCZTCP-UHFFFAOYSA-N 1 0 389.504 -0.779 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000051763455 1073593392 /nfs/dbraw/zinc/59/33/92/1073593392.db2.gz KXIVMRSBESKRQK-UHFFFAOYSA-N 1 0 381.521 -0.399 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000051763467 1073843793 /nfs/dbraw/zinc/84/37/93/1073843793.db2.gz IUKIAJPBRGFUIW-UHFFFAOYSA-N 1 0 393.532 -0.447 20 0 GBADRO CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000051763519 1073844230 /nfs/dbraw/zinc/84/42/30/1073844230.db2.gz CRLHUUUKKNOLJR-UHFFFAOYSA-N 1 0 395.548 -0.202 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000051892074 1073883759 /nfs/dbraw/zinc/88/37/59/1073883759.db2.gz PSXOFAZQXLUYRB-HNNXBMFYSA-N 1 0 392.481 -0.113 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000051892076 1073884325 /nfs/dbraw/zinc/88/43/25/1073884325.db2.gz PSXOFAZQXLUYRB-OAHLLOKOSA-N 1 0 392.481 -0.113 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000051892680 1073883863 /nfs/dbraw/zinc/88/38/63/1073883863.db2.gz AGTDZRYIQRHPFT-INIZCTEOSA-N 1 0 389.456 -0.915 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000051892683 1073884213 /nfs/dbraw/zinc/88/42/13/1073884213.db2.gz AGTDZRYIQRHPFT-MRXNPFEDSA-N 1 0 389.456 -0.915 20 0 GBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051893359 1073883686 /nfs/dbraw/zinc/88/36/86/1073883686.db2.gz GMMWMYPFSVQMBQ-INIZCTEOSA-N 1 0 389.456 -0.520 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000051954074 1073827738 /nfs/dbraw/zinc/82/77/38/1073827738.db2.gz PWSBBGHZWVRLSH-UHFFFAOYSA-N 1 0 379.505 -0.647 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000052032345 1072421774 /nfs/dbraw/zinc/42/17/74/1072421774.db2.gz VPMWKQLIEUZJNY-GFCCVEGCSA-N 1 0 384.393 -0.798 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000052032348 1072422091 /nfs/dbraw/zinc/42/20/91/1072422091.db2.gz VPMWKQLIEUZJNY-LBPRGKRZSA-N 1 0 384.393 -0.798 20 0 GBADRO CCS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000052113980 1073919312 /nfs/dbraw/zinc/91/93/12/1073919312.db2.gz DSRMWFNOAJGSFO-MRXNPFEDSA-N 1 0 390.550 -0.573 20 0 GBADRO CCS(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000052113982 1073919413 /nfs/dbraw/zinc/91/94/13/1073919413.db2.gz DSRMWFNOAJGSFO-INIZCTEOSA-N 1 0 390.550 -0.573 20 0 GBADRO Cc1cc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)n[nH]1 ZINC000052139783 1072437206 /nfs/dbraw/zinc/43/72/06/1072437206.db2.gz CCEWNEKHTGVKIT-UHFFFAOYSA-N 1 0 384.400 -0.100 20 0 GBADRO O=C(CN1CC[NH+](CC2CC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000052164618 1071136236 /nfs/dbraw/zinc/13/62/36/1071136236.db2.gz HQZNYEIFIXTNFR-QGZVFWFLSA-N 1 0 384.546 -0.655 20 0 GBADRO O=C(CN1CC[NH+](CC2CC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000052164619 1071136727 /nfs/dbraw/zinc/13/67/27/1071136727.db2.gz HQZNYEIFIXTNFR-KRWDZBQOSA-N 1 0 384.546 -0.655 20 0 GBADRO O=C(CN1CCN(C(=O)CN2CC[NH+](CC3CC3)CC2)CC1)N1CCOCC1 ZINC000052164977 1073925407 /nfs/dbraw/zinc/92/54/07/1073925407.db2.gz DJJKPQSBFHOQMC-UHFFFAOYSA-N 1 0 393.532 -0.983 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(N3CCNC3=O)CC2)C1 ZINC000052215645 1073919892 /nfs/dbraw/zinc/91/98/92/1073919892.db2.gz GTBGPOWXVKUVTR-QGZVFWFLSA-N 1 0 381.521 -0.051 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(N3CCNC3=O)CC2)C1 ZINC000052215648 1073920283 /nfs/dbraw/zinc/92/02/83/1073920283.db2.gz 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C[C@@H]1C[NH+](CCCNC(=O)NCCS(=O)(=O)N2CCOCC2)C[C@@H](C)O1 ZINC000052301876 1072455311 /nfs/dbraw/zinc/45/53/11/1072455311.db2.gz CYSUNCPTWZTEGV-HUUCEWRRSA-N 1 0 392.522 -0.553 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000052302513 1072456489 /nfs/dbraw/zinc/45/64/89/1072456489.db2.gz AZZIIEBAKXQDDR-OAHLLOKOSA-N 1 0 392.522 -0.696 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000052302518 1072456374 /nfs/dbraw/zinc/45/63/74/1072456374.db2.gz AZZIIEBAKXQDDR-HNNXBMFYSA-N 1 0 392.522 -0.696 20 0 GBADRO CNC(=O)C1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000052329880 530210187 /nfs/dbraw/zinc/21/01/87/530210187.db2.gz WFFHQSKDKHWBQK-UHFFFAOYSA-N 1 0 376.523 -0.379 20 0 GBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000052364193 1072463366 /nfs/dbraw/zinc/46/33/66/1072463366.db2.gz JCCGQKSDKMPCJE-UHFFFAOYSA-N 1 0 398.485 -0.535 20 0 GBADRO CCCNC(=O)C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000052492949 530210456 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376.523 -0.198 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634571 530412480 /nfs/dbraw/zinc/41/24/80/530412480.db2.gz RNBFCXJZPNJVSH-LSDHHAIUSA-N 1 0 376.523 -0.198 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000067634580 530412520 /nfs/dbraw/zinc/41/25/20/530412520.db2.gz RNBFCXJZPNJVSH-GJZGRUSLSA-N 1 0 376.523 -0.198 20 0 GBADRO Cn1ccnc1[C@@](O)(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C(F)(F)F ZINC000068063492 1072564943 /nfs/dbraw/zinc/56/49/43/1072564943.db2.gz UECYCMLTWFMVOI-HNNXBMFYSA-N 1 0 391.394 -0.208 20 0 GBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000068116246 1071552830 /nfs/dbraw/zinc/55/28/30/1071552830.db2.gz FBFFMEIKSRFXOP-ZDUSSCGKSA-N 1 0 381.477 -0.473 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000068348716 530109299 /nfs/dbraw/zinc/10/92/99/530109299.db2.gz KHCVOGVLRXGRIP-OKILXGFUSA-N 1 0 376.523 -0.270 20 0 GBADRO 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DILFOLPGXJDUBP-UHFFFAOYSA-N 1 0 388.472 -0.232 20 0 GBADRO C[NH+](C)C1(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCOCC1 ZINC000113991035 530105962 /nfs/dbraw/zinc/10/59/62/530105962.db2.gz KFNLRRBQZWXMCN-UHFFFAOYSA-N 1 0 389.250 -0.474 20 0 GBADRO C[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C[NH+]1CCN(C)CC1 ZINC000114141266 1073534177 /nfs/dbraw/zinc/53/41/77/1073534177.db2.gz NCFBGXABPHUOKZ-ZDUSSCGKSA-N 1 0 388.472 -0.755 20 0 GBADRO C[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C[NH+]1CCN(C)CC1 ZINC000114141269 1073534940 /nfs/dbraw/zinc/53/49/40/1073534940.db2.gz NCFBGXABPHUOKZ-CYBMUJFWSA-N 1 0 388.472 -0.755 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000114175389 1073319907 /nfs/dbraw/zinc/31/99/07/1073319907.db2.gz QVBULHPJFXUYEP-HUUCEWRRSA-N 1 0 378.448 -0.004 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000114175390 1073320154 /nfs/dbraw/zinc/32/01/54/1073320154.db2.gz QVBULHPJFXUYEP-CABCVRRESA-N 1 0 378.448 -0.004 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000114175393 1073320255 /nfs/dbraw/zinc/32/02/55/1073320255.db2.gz QVBULHPJFXUYEP-LSDHHAIUSA-N 1 0 378.448 -0.004 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1=O ZINC000114175396 1073320033 /nfs/dbraw/zinc/32/00/33/1073320033.db2.gz QVBULHPJFXUYEP-GJZGRUSLSA-N 1 0 378.448 -0.004 20 0 GBADRO Cc1nc(CN2CCN(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)no1 ZINC000114191248 1073933838 /nfs/dbraw/zinc/93/38/38/1073933838.db2.gz AWZCHQMGQWKOPC-QGZVFWFLSA-N 1 0 394.520 -0.031 20 0 GBADRO Cc1nc(CN2CCN(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)no1 ZINC000114191251 1073933681 /nfs/dbraw/zinc/93/36/81/1073933681.db2.gz AWZCHQMGQWKOPC-KRWDZBQOSA-N 1 0 394.520 -0.031 20 0 GBADRO CC1CCC([NH+]2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000115591658 1072440442 /nfs/dbraw/zinc/44/04/42/1072440442.db2.gz PPDAYKCOTAXUNZ-UHFFFAOYSA-N 1 0 384.502 -0.031 20 0 GBADRO Cn1c2ncn(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2c(=O)n(C)c1=O ZINC000116129334 1072381977 /nfs/dbraw/zinc/38/19/77/1072381977.db2.gz QCYDWHGDNMBSKS-GFCCVEGCSA-N 1 0 378.477 -0.084 20 0 GBADRO COCCn1c(N)c(C(=O)CN2CCC([NH+]3CCCCC3)CC2)c(=O)[nH]c1=O ZINC000116601337 1072385954 /nfs/dbraw/zinc/38/59/54/1072385954.db2.gz KBKYSKYNWHMLIG-UHFFFAOYSA-N 1 0 393.488 -0.102 20 0 GBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000119278239 1072397781 /nfs/dbraw/zinc/39/77/81/1072397781.db2.gz CGIRJHMQPGIHKM-CYBMUJFWSA-N 1 0 376.461 -0.472 20 0 GBADRO Cc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000119380302 1072597650 /nfs/dbraw/zinc/59/76/50/1072597650.db2.gz DKAANGVLIPBFQS-UHFFFAOYSA-N 1 0 385.428 -0.049 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000120580325 530107495 /nfs/dbraw/zinc/10/74/95/530107495.db2.gz RAJQARNTYVDXKB-UHFFFAOYSA-N 1 0 385.262 -0.157 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000120688586 530107508 /nfs/dbraw/zinc/10/75/08/530107508.db2.gz SXIPIASTFWMQSY-UHFFFAOYSA-N 1 0 377.239 -0.616 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC[NH2+]Cc1cccnc1 ZINC000120799593 530362814 /nfs/dbraw/zinc/36/28/14/530362814.db2.gz GHHZHEFHXINIBX-UHFFFAOYSA-N 1 0 396.245 -0.010 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N(CC[NH+](C)C)Cc1ccco1)c(=O)n2C ZINC000121165330 1072416955 /nfs/dbraw/zinc/41/69/55/1072416955.db2.gz WMARQNKEROHFFD-UHFFFAOYSA-N 1 0 388.428 -0.383 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCN(C(=O)C3CC3)CC1)c(=O)n2C ZINC000121215467 1072417680 /nfs/dbraw/zinc/41/76/80/1072417680.db2.gz QKCMREQUZAZHDL-UHFFFAOYSA-N 1 0 388.472 -0.232 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000121604557 1073767674 /nfs/dbraw/zinc/76/76/74/1073767674.db2.gz JAMYPGJBNUFXGI-TZMCWYRMSA-N 1 0 382.486 -0.279 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)n(C)c1=O ZINC000121604741 1073767234 /nfs/dbraw/zinc/76/72/34/1073767234.db2.gz JAMYPGJBNUFXGI-OCCSQVGLSA-N 1 0 382.486 -0.279 20 0 GBADRO O=C(Cn1nc2ccccn2c1=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122141017 1073034460 /nfs/dbraw/zinc/03/44/60/1073034460.db2.gz MJAHMAQSSAPVDJ-CABCVRRESA-N 1 0 386.456 -0.397 20 0 GBADRO O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122141223 1073034369 /nfs/dbraw/zinc/03/43/69/1073034369.db2.gz MJAHMAQSSAPVDJ-GJZGRUSLSA-N 1 0 386.456 -0.397 20 0 GBADRO O=C(Cn1nc2ccccn2c1=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122141459 1073034557 /nfs/dbraw/zinc/03/45/57/1073034557.db2.gz MJAHMAQSSAPVDJ-HUUCEWRRSA-N 1 0 386.456 -0.397 20 0 GBADRO O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122141725 1073034470 /nfs/dbraw/zinc/03/44/70/1073034470.db2.gz MJAHMAQSSAPVDJ-LSDHHAIUSA-N 1 0 386.456 -0.397 20 0 GBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000122592604 1072429091 /nfs/dbraw/zinc/42/90/91/1072429091.db2.gz HLPRYKPBISJBDT-CYBMUJFWSA-N 1 0 376.461 -0.330 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000122894853 1073123514 /nfs/dbraw/zinc/12/35/14/1073123514.db2.gz PKZGUXXOVOSCCT-ROUUACIJSA-N 1 0 394.564 -0.040 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000122895072 1073123471 /nfs/dbraw/zinc/12/34/71/1073123471.db2.gz PKZGUXXOVOSCCT-MSOLQXFVSA-N 1 0 394.564 -0.040 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000122895278 1073123432 /nfs/dbraw/zinc/12/34/32/1073123432.db2.gz PKZGUXXOVOSCCT-ZWKOTPCHSA-N 1 0 394.564 -0.040 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000122895522 1073123729 /nfs/dbraw/zinc/12/37/29/1073123729.db2.gz PKZGUXXOVOSCCT-QZTJIDSGSA-N 1 0 394.564 -0.040 20 0 GBADRO O=c1cc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)nc2sccn21 ZINC000123136557 1072497418 /nfs/dbraw/zinc/49/74/18/1072497418.db2.gz HKNRNXMMXRDFPA-INIZCTEOSA-N 1 0 393.513 -0.433 20 0 GBADRO O=c1cc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)nc2sccn21 ZINC000123136773 1072497474 /nfs/dbraw/zinc/49/74/74/1072497474.db2.gz HKNRNXMMXRDFPA-MRXNPFEDSA-N 1 0 393.513 -0.433 20 0 GBADRO C[C@@H]1C[C@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000123622471 1073128080 /nfs/dbraw/zinc/12/80/80/1073128080.db2.gz CHDGBJGAFBRRQQ-BRWVUGGUSA-N 1 0 386.562 -0.268 20 0 GBADRO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000123622890 1073127946 /nfs/dbraw/zinc/12/79/46/1073127946.db2.gz CHDGBJGAFBRRQQ-IXDOHACOSA-N 1 0 386.562 -0.268 20 0 GBADRO Cn1c2cc(Br)c(S(=O)(=O)NC3C[NH2+]C3)cc2n(C)c1=O ZINC000123830519 530084273 /nfs/dbraw/zinc/08/42/73/530084273.db2.gz FCYAEHPMHZIEQJ-UHFFFAOYSA-N 1 0 375.248 -0.110 20 0 GBADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000124178023 1072440740 /nfs/dbraw/zinc/44/07/40/1072440740.db2.gz QJGLJQJSSUCZCZ-AWEZNQCLSA-N 1 0 390.488 -0.082 20 0 GBADRO Cn1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1=O ZINC000124682918 1072443963 /nfs/dbraw/zinc/44/39/63/1072443963.db2.gz HQBJWJHIAVJZDE-OAHLLOKOSA-N 1 0 375.473 -0.048 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000124730685 530109271 /nfs/dbraw/zinc/10/92/71/530109271.db2.gz YOHLYAAVCUCQPL-UHFFFAOYSA-N 1 0 383.246 -0.192 20 0 GBADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CNC(=O)C[NH3+] ZINC000124855997 530109124 /nfs/dbraw/zinc/10/91/24/530109124.db2.gz KRJPMHGMSNTQPG-UHFFFAOYSA-N 1 0 385.262 -0.011 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c(=O)n2C ZINC000125454635 1073941601 /nfs/dbraw/zinc/94/16/01/1073941601.db2.gz AXHKQEMXPQNPAX-ZIAGYGMSSA-N 1 0 388.472 -0.186 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)c(=O)n2C ZINC000125454855 1073941644 /nfs/dbraw/zinc/94/16/44/1073941644.db2.gz AXHKQEMXPQNPAX-KGLIPLIRSA-N 1 0 388.472 -0.186 20 0 GBADRO CC(=O)NC[C@@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000126223518 1073164784 /nfs/dbraw/zinc/16/47/84/1073164784.db2.gz QZZOEYCCSFOQTG-AWEZNQCLSA-N 1 0 376.461 -0.328 20 0 GBADRO CC(=O)NC[C@H]1CCC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000126223700 1073165135 /nfs/dbraw/zinc/16/51/35/1073165135.db2.gz QZZOEYCCSFOQTG-CQSZACIVSA-N 1 0 376.461 -0.328 20 0 GBADRO Cn1cc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000127578833 1073944179 /nfs/dbraw/zinc/94/41/79/1073944179.db2.gz WFFQBVHARJVJOY-UHFFFAOYSA-N 1 0 396.469 -0.038 20 0 GBADRO CC(C)C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)NCC[NH+](C)C ZINC000127965364 1072077102 /nfs/dbraw/zinc/07/71/02/1072077102.db2.gz JYLWUBATTWQMAO-HNNXBMFYSA-N 1 0 394.520 -0.020 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCn2c(=O)[nH]c3ccccc32)cn1 ZINC000128091583 1072557971 /nfs/dbraw/zinc/55/79/71/1072557971.db2.gz FIZANENJWCSJAH-UHFFFAOYSA-N 1 0 385.428 -0.157 20 0 GBADRO Cn1c2ncn(CC[NH+]3CCC(O)(C(F)(F)F)CC3)c2c(=O)n(C)c1=O ZINC000128113374 1072472638 /nfs/dbraw/zinc/47/26/38/1072472638.db2.gz GQFKOCKUMKVIEF-UHFFFAOYSA-N 1 0 375.351 -0.177 20 0 GBADRO O=C(CN1CCCS1(=O)=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000128640356 1073579153 /nfs/dbraw/zinc/57/91/53/1073579153.db2.gz BBVTYSYLOFRDGG-UHFFFAOYSA-N 1 0 380.514 -0.044 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CC[C@H](CN4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000129149999 1073946206 /nfs/dbraw/zinc/94/62/06/1073946206.db2.gz FNYTUROKMQTFAT-AWEZNQCLSA-N 1 0 376.461 -0.912 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CC[C@@H](CN4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000129150180 1073946436 /nfs/dbraw/zinc/94/64/36/1073946436.db2.gz FNYTUROKMQTFAT-CQSZACIVSA-N 1 0 376.461 -0.912 20 0 GBADRO CCCn1cnc2c1c(=O)n(C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c(=O)n2C ZINC000129440346 1073171404 /nfs/dbraw/zinc/17/14/04/1073171404.db2.gz OSLAKAZEWCKSQS-HZSPNIEDSA-N 1 0 379.461 -0.223 20 0 GBADRO CCCn1cnc2c1c(=O)n(C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c(=O)n2C ZINC000129440605 1073171340 /nfs/dbraw/zinc/17/13/40/1073171340.db2.gz OSLAKAZEWCKSQS-MJBXVCDLSA-N 1 0 379.461 -0.223 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1 ZINC000130227726 530349697 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COC(=O)[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C ZINC000249091738 1072971739 /nfs/dbraw/zinc/97/17/39/1072971739.db2.gz NYUDWIGKXFJNTN-QWHCGFSZSA-N 1 0 377.445 -0.045 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249735632 1073891208 /nfs/dbraw/zinc/89/12/08/1073891208.db2.gz FGIGTUPBPFVIMZ-OLZOCXBDSA-N 1 0 376.461 -0.330 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249735638 1073891038 /nfs/dbraw/zinc/89/10/38/1073891038.db2.gz FGIGTUPBPFVIMZ-STQMWFEESA-N 1 0 376.461 -0.330 20 0 GBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249747418 1073891598 /nfs/dbraw/zinc/89/15/98/1073891598.db2.gz NRFAXDXGNNBVTJ-MCIONIFRSA-N 1 0 390.488 -0.084 20 0 GBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000249747420 1073891335 /nfs/dbraw/zinc/89/13/35/1073891335.db2.gz NRFAXDXGNNBVTJ-MJBXVCDLSA-N 1 0 390.488 -0.084 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1C ZINC000253544941 530281201 /nfs/dbraw/zinc/28/12/01/530281201.db2.gz TWTXAXPUEFPOJH-UWVGGRQHSA-N 1 0 389.250 -0.375 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H]1C ZINC000253544942 530281222 /nfs/dbraw/zinc/28/12/22/530281222.db2.gz TWTXAXPUEFPOJH-ZJUUUORDSA-N 1 0 389.250 -0.375 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000253586085 530281145 /nfs/dbraw/zinc/28/11/45/530281145.db2.gz QGYWBIYSVRGVRS-UWVGGRQHSA-N 1 0 389.250 -0.375 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000253586086 530280956 /nfs/dbraw/zinc/28/09/56/530280956.db2.gz QGYWBIYSVRGVRS-ZJUUUORDSA-N 1 0 389.250 -0.375 20 0 GBADRO COc1cc(F)c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000261598288 530096260 /nfs/dbraw/zinc/09/62/60/530096260.db2.gz ALDVEMRTMRRPLM-UHFFFAOYSA-N 1 0 375.422 -0.105 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261604099 530352670 /nfs/dbraw/zinc/35/26/70/530352670.db2.gz ASVBTXTVAGZDAD-GFCCVEGCSA-N 1 0 380.392 -0.100 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261604100 530352792 /nfs/dbraw/zinc/35/27/92/530352792.db2.gz ASVBTXTVAGZDAD-LBPRGKRZSA-N 1 0 380.392 -0.100 20 0 GBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000261604526 1073953839 /nfs/dbraw/zinc/95/38/39/1073953839.db2.gz DAKSRCRYJFOEOP-UHFFFAOYSA-N 1 0 382.486 -0.121 20 0 GBADRO O=C([C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000261606952 1073953850 /nfs/dbraw/zinc/95/38/50/1073953850.db2.gz BHEYJPXNBLUNAW-CYBMUJFWSA-N 1 0 394.453 -0.398 20 0 GBADRO O=C([C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000261606955 1073953734 /nfs/dbraw/zinc/95/37/34/1073953734.db2.gz BHEYJPXNBLUNAW-ZDUSSCGKSA-N 1 0 394.453 -0.398 20 0 GBADRO [NH3+][C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCOCC1 ZINC000261609487 1073953746 /nfs/dbraw/zinc/95/37/46/1073953746.db2.gz BCEUOKZBOZETKS-INIZCTEOSA-N 1 0 396.469 -0.501 20 0 GBADRO [NH3+][C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CCOCC1 ZINC000261609490 1073953656 /nfs/dbraw/zinc/95/36/56/1073953656.db2.gz BCEUOKZBOZETKS-MRXNPFEDSA-N 1 0 396.469 -0.501 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000261620698 530108642 /nfs/dbraw/zinc/10/86/42/530108642.db2.gz GAOGTSRCBVUIBC-NEPJUHHUSA-N 1 0 377.488 -0.279 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000261620703 530108848 /nfs/dbraw/zinc/10/88/48/530108848.db2.gz GAOGTSRCBVUIBC-NWDGAFQWSA-N 1 0 377.488 -0.279 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000261620708 530108749 /nfs/dbraw/zinc/10/87/49/530108749.db2.gz GAOGTSRCBVUIBC-RYUDHWBXSA-N 1 0 377.488 -0.279 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000261620713 530108799 /nfs/dbraw/zinc/10/87/99/530108799.db2.gz GAOGTSRCBVUIBC-VXGBXAGGSA-N 1 0 377.488 -0.279 20 0 GBADRO COCCN(CCOC)S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261626890 530352854 /nfs/dbraw/zinc/35/28/54/530352854.db2.gz CPBSLGKDCZFIOW-GFCCVEGCSA-N 1 0 392.444 -0.748 20 0 GBADRO COCCN(CCOC)S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261626894 530352917 /nfs/dbraw/zinc/35/29/17/530352917.db2.gz CPBSLGKDCZFIOW-LBPRGKRZSA-N 1 0 392.444 -0.748 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c[nH]1 ZINC000261634127 1073953978 /nfs/dbraw/zinc/95/39/78/1073953978.db2.gz FEIKERRPZPNGNA-UONOGXRCSA-N 1 0 391.453 -0.655 20 0 GBADRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000261643484 637381298 /nfs/dbraw/zinc/38/12/98/637381298.db2.gz DMAUDWGILJQFEP-GFCCVEGCSA-N 1 0 377.488 -0.406 20 0 GBADRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000261643488 637381010 /nfs/dbraw/zinc/38/10/10/637381010.db2.gz DMAUDWGILJQFEP-LBPRGKRZSA-N 1 0 377.488 -0.406 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261643618 1073708666 /nfs/dbraw/zinc/70/86/66/1073708666.db2.gz GLRUPKOMZCIDCV-GFCCVEGCSA-N 1 0 397.423 -0.501 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261643623 1073708686 /nfs/dbraw/zinc/70/86/86/1073708686.db2.gz GLRUPKOMZCIDCV-LBPRGKRZSA-N 1 0 397.423 -0.501 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)O1 ZINC000261660486 1073954924 /nfs/dbraw/zinc/95/49/24/1073954924.db2.gz FPODRXFPAYDSGA-OCCSQVGLSA-N 1 0 382.442 -0.748 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000261661715 1073954396 /nfs/dbraw/zinc/95/43/96/1073954396.db2.gz GBBNWZSHAQDOSN-CYBMUJFWSA-N 1 0 385.486 -0.017 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000261661717 1073954592 /nfs/dbraw/zinc/95/45/92/1073954592.db2.gz GBBNWZSHAQDOSN-ZDUSSCGKSA-N 1 0 385.486 -0.017 20 0 GBADRO CCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000261669808 530352967 /nfs/dbraw/zinc/35/29/67/530352967.db2.gz PDWIEIDNSZGARY-UHFFFAOYSA-N 1 0 376.504 -0.222 20 0 GBADRO COCC1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[NH2+]CC1 ZINC000261672494 530208117 /nfs/dbraw/zinc/20/81/17/530208117.db2.gz LUKCYNWUECNSSG-UHFFFAOYSA-N 1 0 377.488 -0.372 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnc2n(c1=O)CCS2 ZINC000261692283 530211539 /nfs/dbraw/zinc/21/15/39/530211539.db2.gz DFARDVASPFHZDT-JTQLQIEISA-N 1 0 377.392 -0.085 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnc2n(c1=O)CCS2 ZINC000261692286 530211608 /nfs/dbraw/zinc/21/16/08/530211608.db2.gz DFARDVASPFHZDT-SNVBAGLBSA-N 1 0 377.392 -0.085 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000261706233 1073954768 /nfs/dbraw/zinc/95/47/68/1073954768.db2.gz JOSILRDHGPIMDP-CYBMUJFWSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000261706236 1073954674 /nfs/dbraw/zinc/95/46/74/1073954674.db2.gz JOSILRDHGPIMDP-ZDUSSCGKSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000261710932 637382566 /nfs/dbraw/zinc/38/25/66/637382566.db2.gz JZXZJBPUPWAURX-CYBMUJFWSA-N 1 0 391.515 -0.098 20 0 GBADRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000261710937 637382947 /nfs/dbraw/zinc/38/29/47/637382947.db2.gz JZXZJBPUPWAURX-ZDUSSCGKSA-N 1 0 391.515 -0.098 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000261713171 1073954726 /nfs/dbraw/zinc/95/47/26/1073954726.db2.gz KSFLAFKHGMECIT-AWEZNQCLSA-N 1 0 380.470 -0.369 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000261713173 1073954377 /nfs/dbraw/zinc/95/43/77/1073954377.db2.gz KSFLAFKHGMECIT-CQSZACIVSA-N 1 0 380.470 -0.369 20 0 GBADRO C[C@]([NH3+])(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000261719145 530211526 /nfs/dbraw/zinc/21/15/26/530211526.db2.gz JYPPWTINDFZLKU-CYBMUJFWSA-N 1 0 391.291 -0.029 20 0 GBADRO C[C@@]([NH3+])(C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000261719147 530211652 /nfs/dbraw/zinc/21/16/52/530211652.db2.gz JYPPWTINDFZLKU-ZDUSSCGKSA-N 1 0 391.291 -0.029 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261720292 530352689 /nfs/dbraw/zinc/35/26/89/530352689.db2.gz JFHBCTBKDBTLEU-JTQLQIEISA-N 1 0 376.401 -0.848 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261720296 530352998 /nfs/dbraw/zinc/35/29/98/530352998.db2.gz JFHBCTBKDBTLEU-SNVBAGLBSA-N 1 0 376.401 -0.848 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261725748 637383228 /nfs/dbraw/zinc/38/32/28/637383228.db2.gz RFRNTYOPKPPRSO-GFCCVEGCSA-N 1 0 389.499 -0.434 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261725750 637383531 /nfs/dbraw/zinc/38/35/31/637383531.db2.gz RFRNTYOPKPPRSO-LBPRGKRZSA-N 1 0 389.499 -0.434 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1c1ccccc1 ZINC000261734277 1073955895 /nfs/dbraw/zinc/95/58/95/1073955895.db2.gz MCRAGDDOHKXWKA-LTIDMASMSA-N 1 0 391.493 -0.025 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1c1ccccc1 ZINC000261734284 1073955784 /nfs/dbraw/zinc/95/57/84/1073955784.db2.gz MCRAGDDOHKXWKA-LUKYLMHMSA-N 1 0 391.493 -0.025 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1c1ccccc1 ZINC000261734288 1073955339 /nfs/dbraw/zinc/95/53/39/1073955339.db2.gz MCRAGDDOHKXWKA-VVLHAWIVSA-N 1 0 391.493 -0.025 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1c1ccccc1 ZINC000261734294 1073955512 /nfs/dbraw/zinc/95/55/12/1073955512.db2.gz MCRAGDDOHKXWKA-WCXIOVBPSA-N 1 0 391.493 -0.025 20 0 GBADRO Cn1c2ncn(CC(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000261734603 1073955777 /nfs/dbraw/zinc/95/57/77/1073955777.db2.gz MHBWNVHRVTUKBT-CABCVRRESA-N 1 0 396.451 -0.365 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1C ZINC000261742214 530352923 /nfs/dbraw/zinc/35/29/23/530352923.db2.gz VAQUBYQRZMXKHP-UHFFFAOYSA-N 1 0 376.504 -0.913 20 0 GBADRO COCC1(CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)CC[NH2+]CC1 ZINC000261748114 1073956528 /nfs/dbraw/zinc/95/65/28/1073956528.db2.gz OTAIDPCTDPJYRQ-UHFFFAOYSA-N 1 0 380.470 -0.143 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000261751299 1073956743 /nfs/dbraw/zinc/95/67/43/1073956743.db2.gz PGNUTXMSLRDZRE-AWEZNQCLSA-N 1 0 380.470 -0.369 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000261751303 1073956572 /nfs/dbraw/zinc/95/65/72/1073956572.db2.gz PGNUTXMSLRDZRE-CQSZACIVSA-N 1 0 380.470 -0.369 20 0 GBADRO COCC1(CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC[NH2+]CC1 ZINC000261751479 1073928380 /nfs/dbraw/zinc/92/83/80/1073928380.db2.gz PILGGILCKWDXAQ-UHFFFAOYSA-N 1 0 387.506 -0.471 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000261758426 530352973 /nfs/dbraw/zinc/35/29/73/530352973.db2.gz PXKOVEPHXPHEPN-GFCCVEGCSA-N 1 0 388.515 -0.127 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000261758428 530352896 /nfs/dbraw/zinc/35/28/96/530352896.db2.gz PXKOVEPHXPHEPN-LBPRGKRZSA-N 1 0 388.515 -0.127 20 0 GBADRO COCC1(CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC[NH2+]CC1 ZINC000261762278 1073956595 /nfs/dbraw/zinc/95/65/95/1073956595.db2.gz QIZZQJVHTKGOAA-UHFFFAOYSA-N 1 0 389.456 -0.313 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261770356 1073935301 /nfs/dbraw/zinc/93/53/01/1073935301.db2.gz MIJOCPVFKGWZFR-GFCCVEGCSA-N 1 0 398.407 -0.074 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1C ZINC000261770359 1073935665 /nfs/dbraw/zinc/93/56/65/1073935665.db2.gz MIJOCPVFKGWZFR-LBPRGKRZSA-N 1 0 398.407 -0.074 20 0 GBADRO Cc1oc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1S(N)(=O)=O ZINC000261772647 530211720 /nfs/dbraw/zinc/21/17/20/530211720.db2.gz GSRUKRDWNFIPBC-LLVKDONJSA-N 1 0 384.380 -0.199 20 0 GBADRO Cc1oc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1S(N)(=O)=O ZINC000261772649 530211801 /nfs/dbraw/zinc/21/18/01/530211801.db2.gz GSRUKRDWNFIPBC-NSHDSACASA-N 1 0 384.380 -0.199 20 0 GBADRO COCCN(C(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000261781068 1073940356 /nfs/dbraw/zinc/94/03/56/1073940356.db2.gz PNOAAHSZFLGPLH-IAGOWNOFSA-N 1 0 396.513 -0.310 20 0 GBADRO COCCN(C(=O)CN1CC[NH2+]C[C@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000261781070 1073940697 /nfs/dbraw/zinc/94/06/97/1073940697.db2.gz PNOAAHSZFLGPLH-IRXDYDNUSA-N 1 0 396.513 -0.310 20 0 GBADRO COCCN(C(=O)CN1CC[NH2+]C[C@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000261781072 1073939360 /nfs/dbraw/zinc/93/93/60/1073939360.db2.gz PNOAAHSZFLGPLH-SJORKVTESA-N 1 0 396.513 -0.310 20 0 GBADRO COCC1(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC[NH2+]CC1 ZINC000261782869 530211803 /nfs/dbraw/zinc/21/18/03/530211803.db2.gz SPLXAAPNNUTLIT-UHFFFAOYSA-N 1 0 389.250 -0.156 20 0 GBADRO Cn1c2ncn(CC(=O)Nc3ccc4c(c3F)CC[NH2+]C4)c2c(=O)n(C)c1=O ZINC000261784414 1073957545 /nfs/dbraw/zinc/95/75/45/1073957545.db2.gz SVQOQZQEQLPGOU-UHFFFAOYSA-N 1 0 386.387 -0.143 20 0 GBADRO COCC1(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[NH2+]CC1 ZINC000261793043 1073957111 /nfs/dbraw/zinc/95/71/11/1073957111.db2.gz UQBBYOKWYVXAGF-UHFFFAOYSA-N 1 0 375.429 -0.622 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(COC)CCC[NH2+]2)cc1 ZINC000261795154 530107158 /nfs/dbraw/zinc/10/71/58/530107158.db2.gz ZIGFZWFZDMMHBK-AWEZNQCLSA-N 1 0 377.488 -0.358 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000261795157 530107166 /nfs/dbraw/zinc/10/71/66/530107166.db2.gz ZIGFZWFZDMMHBK-CQSZACIVSA-N 1 0 377.488 -0.358 20 0 GBADRO Cn1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C(N)=O ZINC000261801247 530352947 /nfs/dbraw/zinc/35/29/47/530352947.db2.gz OESJGZHHGVBORK-LLVKDONJSA-N 1 0 383.396 -0.762 20 0 GBADRO Cn1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C(N)=O ZINC000261801249 530352838 /nfs/dbraw/zinc/35/28/38/530352838.db2.gz OESJGZHHGVBORK-NSHDSACASA-N 1 0 383.396 -0.762 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1F)CC[NH2+]C3)c(=O)n2C ZINC000261805417 1073957364 /nfs/dbraw/zinc/95/73/64/1073957364.db2.gz WGVRHLNHBXYWPU-UHFFFAOYSA-N 1 0 386.387 -0.143 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(COC)CC[NH2+]CC2)c1 ZINC000261805418 1073957730 /nfs/dbraw/zinc/95/77/30/1073957730.db2.gz WGWWHTKCFFWJRN-UHFFFAOYSA-N 1 0 388.490 -0.315 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000261810753 1073957661 /nfs/dbraw/zinc/95/76/61/1073957661.db2.gz WTWSRHOHBDPYPS-CHWSQXEVSA-N 1 0 380.470 -0.103 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000261810756 1073957331 /nfs/dbraw/zinc/95/73/31/1073957331.db2.gz WTWSRHOHBDPYPS-OLZOCXBDSA-N 1 0 380.470 -0.103 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000261810760 1073957173 /nfs/dbraw/zinc/95/71/73/1073957173.db2.gz WTWSRHOHBDPYPS-QWHCGFSZSA-N 1 0 380.470 -0.103 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000261810763 1073957480 /nfs/dbraw/zinc/95/74/80/1073957480.db2.gz WTWSRHOHBDPYPS-STQMWFEESA-N 1 0 380.470 -0.103 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817121 530352724 /nfs/dbraw/zinc/35/27/24/530352724.db2.gz XJRPMYJXHMMDRU-CABCVRRESA-N 1 0 375.516 -0.070 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000261828471 637387710 /nfs/dbraw/zinc/38/77/10/637387710.db2.gz UACJYGCGYDNYKB-BFHYXJOUSA-N 1 0 393.531 -0.835 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000261828474 637388034 /nfs/dbraw/zinc/38/80/34/637388034.db2.gz UACJYGCGYDNYKB-MELADBBJSA-N 1 0 393.531 -0.835 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)c(=O)n2C ZINC000261834297 1073958463 /nfs/dbraw/zinc/95/84/63/1073958463.db2.gz TZAAZWKPOBMBOS-CABCVRRESA-N 1 0 396.451 -0.365 20 0 GBADRO NC(=O)c1cccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261838113 530352864 /nfs/dbraw/zinc/35/28/64/530352864.db2.gz QKJZVXOJNOSNCM-GFCCVEGCSA-N 1 0 380.392 -0.100 20 0 GBADRO NC(=O)c1cccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261838116 530352859 /nfs/dbraw/zinc/35/28/59/530352859.db2.gz QKJZVXOJNOSNCM-LBPRGKRZSA-N 1 0 380.392 -0.100 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000261839380 530352760 /nfs/dbraw/zinc/35/27/60/530352760.db2.gz AFDSMUAHEIRMOC-UHFFFAOYSA-N 1 0 377.507 -0.359 20 0 GBADRO COCCn1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000261841738 530352825 /nfs/dbraw/zinc/35/28/25/530352825.db2.gz ZYGKJIJGGSQUSU-GFCCVEGCSA-N 1 0 385.412 -0.356 20 0 GBADRO COCCn1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000261841740 530352943 /nfs/dbraw/zinc/35/29/43/530352943.db2.gz ZYGKJIJGGSQUSU-LBPRGKRZSA-N 1 0 385.412 -0.356 20 0 GBADRO CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000261857461 530352679 /nfs/dbraw/zinc/35/26/79/530352679.db2.gz QWWPZDXYGWQLOO-UHFFFAOYSA-N 1 0 375.539 -0.612 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)O1 ZINC000261874290 1073958518 /nfs/dbraw/zinc/95/85/18/1073958518.db2.gz UAFDKZKDGWDOAQ-SJORKVTESA-N 1 0 397.497 -0.029 20 0 GBADRO Cn1c2ncn(CC(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)c2c(=O)n(C)c1=O ZINC000261880367 1073959324 /nfs/dbraw/zinc/95/93/24/1073959324.db2.gz YMCIWSUPHPJHTL-UONOGXRCSA-N 1 0 382.424 -0.613 20 0 GBADRO O=C(NCC1C[NH2+]C1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000261882269 1072497109 /nfs/dbraw/zinc/49/71/09/1072497109.db2.gz ANHLIFZVKSYRLM-CYBMUJFWSA-N 1 0 379.438 -0.041 20 0 GBADRO O=C(NCC1C[NH2+]C1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000261882270 1072497528 /nfs/dbraw/zinc/49/75/28/1072497528.db2.gz ANHLIFZVKSYRLM-ZDUSSCGKSA-N 1 0 379.438 -0.041 20 0 GBADRO CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000261887060 637387891 /nfs/dbraw/zinc/38/78/91/637387891.db2.gz UXLVVULMEXFYGG-CYBMUJFWSA-N 1 0 395.547 -0.587 20 0 GBADRO CCC(CC)(C[NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000261887063 637387751 /nfs/dbraw/zinc/38/77/51/637387751.db2.gz UXLVVULMEXFYGG-ZDUSSCGKSA-N 1 0 395.547 -0.587 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000261893988 530495704 /nfs/dbraw/zinc/49/57/04/530495704.db2.gz OBXCZPNOHCDIOA-UHFFFAOYSA-N 1 0 375.472 -0.858 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261894996 530495690 /nfs/dbraw/zinc/49/56/90/530495690.db2.gz AUKLYCBGGIVMQU-CYBMUJFWSA-N 1 0 388.515 -0.737 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)O1 ZINC000261900435 1073959292 /nfs/dbraw/zinc/95/92/92/1073959292.db2.gz WKJBMHRATLWDPN-ZBFHGGJFSA-N 1 0 383.470 -0.170 20 0 GBADRO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000261907203 1072604350 /nfs/dbraw/zinc/60/43/50/1072604350.db2.gz GAYNSNGQRADPPI-UHFFFAOYSA-N 1 0 385.486 -0.081 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261910103 530211547 /nfs/dbraw/zinc/21/15/47/530211547.db2.gz IXMPLLXCZXLEJT-UHFFFAOYSA-N 1 0 387.531 -0.543 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH]1 ZINC000261925056 530352927 /nfs/dbraw/zinc/35/29/27/530352927.db2.gz ZEABODDHYDLEFU-LLVKDONJSA-N 1 0 384.380 -0.084 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH]1 ZINC000261926092 530352956 /nfs/dbraw/zinc/35/29/56/530352956.db2.gz ZEABODDHYDLEFU-NSHDSACASA-N 1 0 384.380 -0.084 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000261936902 1072746495 /nfs/dbraw/zinc/74/64/95/1072746495.db2.gz FMTYYPCSVRUCQI-UHFFFAOYSA-N 1 0 380.470 -0.511 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2C[NH2+]C2)c1OC ZINC000261945359 1072164055 /nfs/dbraw/zinc/16/40/55/1072164055.db2.gz OFQLCGIMKLVEDA-UHFFFAOYSA-N 1 0 399.469 -0.326 20 0 GBADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000261945950 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Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262080078 530353381 /nfs/dbraw/zinc/35/33/81/530353381.db2.gz QKCQBNRUMVWZOH-LLVKDONJSA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262080081 530353101 /nfs/dbraw/zinc/35/31/01/530353101.db2.gz QKCQBNRUMVWZOH-NSHDSACASA-N 1 0 375.882 -0.094 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000262080082 1073961613 /nfs/dbraw/zinc/96/16/13/1073961613.db2.gz DYNJSXRAADEOAG-INIZCTEOSA-N 1 0 389.456 -0.112 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000262080084 1073961508 /nfs/dbraw/zinc/96/15/08/1073961508.db2.gz DYNJSXRAADEOAG-MRXNPFEDSA-N 1 0 389.456 -0.112 20 0 GBADRO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262093309 1073961601 /nfs/dbraw/zinc/96/16/01/1073961601.db2.gz SAEKBHLPTJJWSI-KBPBESRZSA-N 1 0 391.497 -0.380 20 0 GBADRO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 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20 0 GBADRO NS(=O)(=O)c1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000262115073 530211522 /nfs/dbraw/zinc/21/15/22/530211522.db2.gz VYCVKKOSVYKQQN-VIFPVBQESA-N 1 0 386.421 -0.039 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262117683 1073962784 /nfs/dbraw/zinc/96/27/84/1073962784.db2.gz LMLAIHAMFSKVCG-GFCCVEGCSA-N 1 0 384.458 -0.961 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262117686 1073962448 /nfs/dbraw/zinc/96/24/48/1073962448.db2.gz LMLAIHAMFSKVCG-LBPRGKRZSA-N 1 0 384.458 -0.961 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000262122549 1073962615 /nfs/dbraw/zinc/96/26/15/1073962615.db2.gz NKSMUQPSCYBNJP-KDOFPFPSSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000262122551 1073962570 /nfs/dbraw/zinc/96/25/70/1073962570.db2.gz NKSMUQPSCYBNJP-KSSFIOAISA-N 1 0 376.457 -0.118 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000262124544 530495785 /nfs/dbraw/zinc/49/57/85/530495785.db2.gz CIHOLCQVBGKWKO-CYBMUJFWSA-N 1 0 388.515 -0.737 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000262124545 530495769 /nfs/dbraw/zinc/49/57/69/530495769.db2.gz CIHOLCQVBGKWKO-ZDUSSCGKSA-N 1 0 388.515 -0.737 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262126307 1073962434 /nfs/dbraw/zinc/96/24/34/1073962434.db2.gz NRWSNPHQPGCGEJ-INIZCTEOSA-N 1 0 382.486 -0.381 20 0 GBADRO CS(=O)(=O)c1nc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccn21 ZINC000262127724 1073962425 /nfs/dbraw/zinc/96/24/25/1073962425.db2.gz WLISNHAVKJLKDH-CYBMUJFWSA-N 1 0 377.470 -0.143 20 0 GBADRO CS(=O)(=O)c1nc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccn21 ZINC000262127727 1073962531 /nfs/dbraw/zinc/96/25/31/1073962531.db2.gz WLISNHAVKJLKDH-ZDUSSCGKSA-N 1 0 377.470 -0.143 20 0 GBADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000262132015 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20 0 GBADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000262159429 530353259 /nfs/dbraw/zinc/35/32/59/530353259.db2.gz UOFIRJFJFDRORY-UHFFFAOYSA-N 1 0 376.866 -0.612 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000262165498 1073273626 /nfs/dbraw/zinc/27/36/26/1073273626.db2.gz JQKSCDMEWBPXCF-AWEZNQCLSA-N 1 0 383.470 -0.093 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000262165501 1072392095 /nfs/dbraw/zinc/39/20/95/1072392095.db2.gz JQKSCDMEWBPXCF-CQSZACIVSA-N 1 0 383.470 -0.093 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000262165892 1073963693 /nfs/dbraw/zinc/96/36/93/1073963693.db2.gz QBLPTRJRWBWJSQ-SFHVURJKSA-N 1 0 375.473 -0.131 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000262167983 530353098 /nfs/dbraw/zinc/35/30/98/530353098.db2.gz ALOIVHBNAAWLCL-GFCCVEGCSA-N 1 0 391.490 -0.103 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000262168005 530353313 /nfs/dbraw/zinc/35/33/13/530353313.db2.gz ALOIVHBNAAWLCL-LBPRGKRZSA-N 1 0 391.490 -0.103 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262168379 530353301 /nfs/dbraw/zinc/35/33/01/530353301.db2.gz YJSKXJMJVXWDQO-HNNXBMFYSA-N 1 0 377.507 -0.361 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262168383 530353366 /nfs/dbraw/zinc/35/33/66/530353366.db2.gz YJSKXJMJVXWDQO-OAHLLOKOSA-N 1 0 377.507 -0.361 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000262169886 1073963502 /nfs/dbraw/zinc/96/35/02/1073963502.db2.gz QIRZFKIMMKXKOW-KRWDZBQOSA-N 1 0 378.429 -0.444 20 0 GBADRO COCC[NH2+]CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000262170159 530211918 /nfs/dbraw/zinc/21/19/18/530211918.db2.gz VBDMDORVGFJUSA-UHFFFAOYSA-N 1 0 377.488 -0.265 20 0 GBADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262172976 530353135 /nfs/dbraw/zinc/35/31/35/530353135.db2.gz AWEIUSLGCJXTFT-HNNXBMFYSA-N 1 0 387.527 -0.101 20 0 GBADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262172977 530353408 /nfs/dbraw/zinc/35/34/08/530353408.db2.gz AWEIUSLGCJXTFT-OAHLLOKOSA-N 1 0 387.527 -0.101 20 0 GBADRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000262175040 1073963281 /nfs/dbraw/zinc/96/32/81/1073963281.db2.gz KLLNCOKESMIGAI-KRWDZBQOSA-N 1 0 397.497 -0.157 20 0 GBADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000262175041 1073963490 /nfs/dbraw/zinc/96/34/90/1073963490.db2.gz KLLNCOKESMIGAI-QGZVFWFLSA-N 1 0 397.497 -0.157 20 0 GBADRO COc1cc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)ccc1OCC(=O)N(C)C ZINC000262185917 1073963613 /nfs/dbraw/zinc/96/36/13/1073963613.db2.gz RGWOODDCRZEZPW-SFHVURJKSA-N 1 0 394.472 -0.122 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000262187984 1073660671 /nfs/dbraw/zinc/66/06/71/1073660671.db2.gz HPVAPSAQFFPRSZ-UHFFFAOYSA-N 1 0 398.470 -0.679 20 0 GBADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262189741 1073963565 /nfs/dbraw/zinc/96/35/65/1073963565.db2.gz LWJCOOXAJXWCTJ-CYBMUJFWSA-N 1 0 382.442 -0.876 20 0 GBADRO O=C(C[C@H]1COCC[NH2+]1)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262189742 1073963551 /nfs/dbraw/zinc/96/35/51/1073963551.db2.gz LWJCOOXAJXWCTJ-ZDUSSCGKSA-N 1 0 382.442 -0.876 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000262191932 1073963515 /nfs/dbraw/zinc/96/35/15/1073963515.db2.gz YVUCHPCXZYQIEX-GFCCVEGCSA-N 1 0 386.474 -0.336 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000262191935 1073963545 /nfs/dbraw/zinc/96/35/45/1073963545.db2.gz YVUCHPCXZYQIEX-LBPRGKRZSA-N 1 0 386.474 -0.336 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(COC)CC[NH2+]CC2)cc1 ZINC000262215055 530111356 /nfs/dbraw/zinc/11/13/56/530111356.db2.gz LYDFXXMPHGDFRA-UHFFFAOYSA-N 1 0 391.515 -0.111 20 0 GBADRO Cn1c2ncn(CCC(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)c2c(=O)n(C)c1=O ZINC000262215154 1073964326 /nfs/dbraw/zinc/96/43/26/1073964326.db2.gz MAMJEHBSJADXHG-LSDHHAIUSA-N 1 0 396.451 -0.223 20 0 GBADRO COc1ccc([C@H](CNC(=O)CNC(=O)C[NH3+])N2CCOCC2)cc1OC ZINC000262218141 1073964496 /nfs/dbraw/zinc/96/44/96/1073964496.db2.gz MFIOMSLOBPMPRB-AWEZNQCLSA-N 1 0 380.445 -0.732 20 0 GBADRO COc1ccc([C@@H](CNC(=O)CNC(=O)C[NH3+])N2CCOCC2)cc1OC ZINC000262218143 1073964280 /nfs/dbraw/zinc/96/42/80/1073964280.db2.gz MFIOMSLOBPMPRB-CQSZACIVSA-N 1 0 380.445 -0.732 20 0 GBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262218224 530462680 /nfs/dbraw/zinc/46/26/80/530462680.db2.gz ZGWXZBNSWALXQP-AJNGGQMLSA-N 1 0 376.523 -0.142 20 0 GBADRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262218227 637398486 /nfs/dbraw/zinc/39/84/86/637398486.db2.gz ZGWXZBNSWALXQP-BYNSBNAKSA-N 1 0 376.523 -0.142 20 0 GBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262218229 530462640 /nfs/dbraw/zinc/46/26/40/530462640.db2.gz ZGWXZBNSWALXQP-XQLPTFJDSA-N 1 0 376.523 -0.142 20 0 GBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000262218231 530462828 /nfs/dbraw/zinc/46/28/28/530462828.db2.gz ZGWXZBNSWALXQP-YJNKXOJESA-N 1 0 376.523 -0.142 20 0 GBADRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262221812 1073964570 /nfs/dbraw/zinc/96/45/70/1073964570.db2.gz PEVSUEUEWHZJBC-HNNXBMFYSA-N 1 0 383.470 -0.298 20 0 GBADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262221814 1073964360 /nfs/dbraw/zinc/96/43/60/1073964360.db2.gz PEVSUEUEWHZJBC-OAHLLOKOSA-N 1 0 383.470 -0.298 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000262222588 1073317117 /nfs/dbraw/zinc/31/71/17/1073317117.db2.gz UPPFGEQPJPJQIP-SFHVURJKSA-N 1 0 381.521 -0.367 20 0 GBADRO COC[C@@]1(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1 ZINC000262225305 637398469 /nfs/dbraw/zinc/39/84/69/637398469.db2.gz GBLLGZKJFRDQEY-HNNXBMFYSA-N 1 0 391.515 -0.016 20 0 GBADRO COC[C@]1(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC[NH2+]1 ZINC000262225310 637398649 /nfs/dbraw/zinc/39/86/49/637398649.db2.gz GBLLGZKJFRDQEY-OAHLLOKOSA-N 1 0 391.515 -0.016 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000262233834 1073964339 /nfs/dbraw/zinc/96/43/39/1073964339.db2.gz VRNVSTWWJSWACA-KRWDZBQOSA-N 1 0 390.440 -0.201 20 0 GBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262235917 1073321343 /nfs/dbraw/zinc/32/13/43/1073321343.db2.gz HHSUHWSZSLEPGM-AWEZNQCLSA-N 1 0 377.474 -0.455 20 0 GBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262235919 1073321384 /nfs/dbraw/zinc/32/13/84/1073321384.db2.gz HHSUHWSZSLEPGM-CQSZACIVSA-N 1 0 377.474 -0.455 20 0 GBADRO COC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000262244160 530353241 /nfs/dbraw/zinc/35/32/41/530353241.db2.gz IACMOGCGOIKXIT-LLVKDONJSA-N 1 0 391.471 -0.659 20 0 GBADRO COC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000262244166 530353142 /nfs/dbraw/zinc/35/31/42/530353142.db2.gz IACMOGCGOIKXIT-NSHDSACASA-N 1 0 391.471 -0.659 20 0 GBADRO COC[C@@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCC[NH2+]1 ZINC000262260718 530353224 /nfs/dbraw/zinc/35/32/24/530353224.db2.gz JKLSJGZKLJADOK-HNNXBMFYSA-N 1 0 391.515 -0.016 20 0 GBADRO COC[C@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCC[NH2+]1 ZINC000262261584 530353397 /nfs/dbraw/zinc/35/33/97/530353397.db2.gz JKLSJGZKLJADOK-OAHLLOKOSA-N 1 0 391.515 -0.016 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262264609 530353157 /nfs/dbraw/zinc/35/31/57/530353157.db2.gz XYVRUELVWYHOCK-UHFFFAOYSA-N 1 0 376.523 -0.819 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](c3ccccc3)[C@H]([NH3+])C1)c(=O)n2C ZINC000262278463 1073964268 /nfs/dbraw/zinc/96/42/68/1073964268.db2.gz UHQBHNXWXJXDIC-UONOGXRCSA-N 1 0 382.424 -0.613 20 0 GBADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000262281714 530353335 /nfs/dbraw/zinc/35/33/35/530353335.db2.gz XFKUHOVWNBJPGU-GFCCVEGCSA-N 1 0 389.499 -0.236 20 0 GBADRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000262281716 530353338 /nfs/dbraw/zinc/35/33/38/530353338.db2.gz XFKUHOVWNBJPGU-LBPRGKRZSA-N 1 0 389.499 -0.236 20 0 GBADRO COC[C@@]1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000262284528 530353387 /nfs/dbraw/zinc/35/33/87/530353387.db2.gz MDZUEVGUOVEGMM-HNNXBMFYSA-N 1 0 391.515 -0.347 20 0 GBADRO COC[C@]1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC[NH2+]1 ZINC000262284531 530353125 /nfs/dbraw/zinc/35/31/25/530353125.db2.gz MDZUEVGUOVEGMM-OAHLLOKOSA-N 1 0 391.515 -0.347 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(CCC(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000262285543 530353284 /nfs/dbraw/zinc/35/32/84/530353284.db2.gz ZQGOOHKKVFMANJ-UHFFFAOYSA-N 1 0 387.531 -0.420 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1=O ZINC000262288073 1073964483 /nfs/dbraw/zinc/96/44/83/1073964483.db2.gz ZXBIHQVCZWZQOE-AAEUAGOBSA-N 1 0 396.469 -0.144 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1=O ZINC000262288074 1073964139 /nfs/dbraw/zinc/96/41/39/1073964139.db2.gz ZXBIHQVCZWZQOE-YPMHNXCESA-N 1 0 396.469 -0.144 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC2)c1 ZINC000262288301 1073964256 /nfs/dbraw/zinc/96/42/56/1073964256.db2.gz GDYPSVHYWMCICK-KRWDZBQOSA-N 1 0 399.513 -0.020 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)c1 ZINC000262288305 1073964110 /nfs/dbraw/zinc/96/41/10/1073964110.db2.gz GDYPSVHYWMCICK-QGZVFWFLSA-N 1 0 399.513 -0.020 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[NH2+]CC2)c1OC ZINC000262288354 1073964172 /nfs/dbraw/zinc/96/41/72/1073964172.db2.gz GFILJXLQTVLAOL-UHFFFAOYSA-N 1 0 399.469 -0.230 20 0 GBADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000262302958 1073965378 /nfs/dbraw/zinc/96/53/78/1073965378.db2.gz BBDZBDGGGNKROB-CYBMUJFWSA-N 1 0 393.469 -0.226 20 0 GBADRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000262302959 1073965285 /nfs/dbraw/zinc/96/52/85/1073965285.db2.gz BBDZBDGGGNKROB-ZDUSSCGKSA-N 1 0 393.469 -0.226 20 0 GBADRO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262304666 1073965442 /nfs/dbraw/zinc/96/54/42/1073965442.db2.gz ACMFCZZFCLDJSI-OKILXGFUSA-N 1 0 378.454 -0.902 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262306141 1073965254 /nfs/dbraw/zinc/96/52/54/1073965254.db2.gz YGSLALXLSAGIHK-CABCVRRESA-N 1 0 377.470 -0.101 20 0 GBADRO C[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262307534 1073965260 /nfs/dbraw/zinc/96/52/60/1073965260.db2.gz BKMXKPCOMXMZOY-UHFFFAOYSA-N 1 0 382.442 -0.540 20 0 GBADRO COCC1(CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC[NH2+]CC1 ZINC000262307976 637366974 /nfs/dbraw/zinc/36/69/74/637366974.db2.gz OQUZSFWIKMOXOS-UHFFFAOYSA-N 1 0 377.488 -0.220 20 0 GBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)CC1 ZINC000262308057 1073965456 /nfs/dbraw/zinc/96/54/56/1073965456.db2.gz CLWKYPYELIZZQP-HNNXBMFYSA-N 1 0 382.486 -0.060 20 0 GBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000262308058 1073965279 /nfs/dbraw/zinc/96/52/79/1073965279.db2.gz CLWKYPYELIZZQP-OAHLLOKOSA-N 1 0 382.486 -0.060 20 0 GBADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262312043 637366867 /nfs/dbraw/zinc/36/68/67/637366867.db2.gz PEVBTTIRXAPYHW-AWEZNQCLSA-N 1 0 385.511 -0.315 20 0 GBADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262312046 637367239 /nfs/dbraw/zinc/36/72/39/637367239.db2.gz PEVBTTIRXAPYHW-CQSZACIVSA-N 1 0 385.511 -0.315 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N(CCC[NH3+])Cc2ccccc2)c[nH]1 ZINC000262319907 1073965198 /nfs/dbraw/zinc/96/51/98/1073965198.db2.gz CDVGGGZCJIPVSQ-UHFFFAOYSA-N 1 0 393.469 -0.231 20 0 GBADRO C[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262322706 1073965208 /nfs/dbraw/zinc/96/52/08/1073965208.db2.gz CXQCDAUMHVGZKS-LLVKDONJSA-N 1 0 382.442 -0.555 20 0 GBADRO C[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262322708 1073965080 /nfs/dbraw/zinc/96/50/80/1073965080.db2.gz CXQCDAUMHVGZKS-NSHDSACASA-N 1 0 382.442 -0.555 20 0 GBADRO CC1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[NH2+]CC1 ZINC000262328560 1073965185 /nfs/dbraw/zinc/96/51/85/1073965185.db2.gz XQHQLRSCSVLERD-UHFFFAOYSA-N 1 0 394.497 -0.073 20 0 GBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000262330350 1072468017 /nfs/dbraw/zinc/46/80/17/1072468017.db2.gz GOJCFVBBKAPWSS-HNNXBMFYSA-N 1 0 384.454 -0.231 20 0 GBADRO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000262330352 1073375983 /nfs/dbraw/zinc/37/59/83/1073375983.db2.gz GOJCFVBBKAPWSS-OAHLLOKOSA-N 1 0 384.454 -0.231 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(COC)CCC[NH2+]2)cc1C ZINC000262335048 530353171 /nfs/dbraw/zinc/35/31/71/530353171.db2.gz SAONSRSJYJCXEO-HNNXBMFYSA-N 1 0 391.515 -0.050 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(COC)CCC[NH2+]2)cc1C ZINC000262335054 530353140 /nfs/dbraw/zinc/35/31/40/530353140.db2.gz SAONSRSJYJCXEO-OAHLLOKOSA-N 1 0 391.515 -0.050 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C[C@H]12 ZINC000262341732 1073965142 /nfs/dbraw/zinc/96/51/42/1073965142.db2.gz CPUFHYSDBYRBMV-CWRNSKLLSA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C[C@@H]12 ZINC000262341736 1073965437 /nfs/dbraw/zinc/96/54/37/1073965437.db2.gz CPUFHYSDBYRBMV-FVQBIDKESA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C[C@@H]12 ZINC000262341740 1073965128 /nfs/dbraw/zinc/96/51/28/1073965128.db2.gz CPUFHYSDBYRBMV-NUEKZKHPSA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C[C@H]12 ZINC000262341742 1073965194 /nfs/dbraw/zinc/96/51/94/1073965194.db2.gz CPUFHYSDBYRBMV-VNQPRFMTSA-N 1 0 392.481 -0.384 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3C[C@@H]4[C@H]([NH3+])CC[C@@H]4C3)CC2=O)c1 ZINC000262344417 1073965430 /nfs/dbraw/zinc/96/54/30/1073965430.db2.gz DLLVSEZULHJXGD-AVRGHOLYSA-N 1 0 392.481 -0.117 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2=O)c1 ZINC000262344419 1073965160 /nfs/dbraw/zinc/96/51/60/1073965160.db2.gz DLLVSEZULHJXGD-CZPYZCIJSA-N 1 0 392.481 -0.117 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3C[C@@H]4[C@H]([NH3+])CC[C@@H]4C3)CC2=O)c1 ZINC000262344421 1073965357 /nfs/dbraw/zinc/96/53/57/1073965357.db2.gz DLLVSEZULHJXGD-GUYJKWIASA-N 1 0 392.481 -0.117 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2=O)c1 ZINC000262344423 1073965450 /nfs/dbraw/zinc/96/54/50/1073965450.db2.gz DLLVSEZULHJXGD-NOXHYTERSA-N 1 0 392.481 -0.117 20 0 GBADRO COc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N2CCOCC2)cc1OC ZINC000262349661 1073966187 /nfs/dbraw/zinc/96/61/87/1073966187.db2.gz HEVSAHJRYWDMAG-OAGGEKHMSA-N 1 0 379.457 -0.084 20 0 GBADRO COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N2CCOCC2)cc1OC ZINC000262349667 1073966129 /nfs/dbraw/zinc/96/61/29/1073966129.db2.gz HEVSAHJRYWDMAG-XHSDSOJGSA-N 1 0 379.457 -0.084 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)n1 ZINC000262352875 530353402 /nfs/dbraw/zinc/35/34/02/530353402.db2.gz JIHRKOOKZYDXNS-UHFFFAOYSA-N 1 0 387.531 -0.084 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)NCC[NH3+])c1 ZINC000262353072 1072501690 /nfs/dbraw/zinc/50/16/90/1072501690.db2.gz BTIQEFXLNNTETL-UHFFFAOYSA-N 1 0 380.430 -0.974 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262356731 1073966178 /nfs/dbraw/zinc/96/61/78/1073966178.db2.gz JRGDLUVXOYMRJH-INIZCTEOSA-N 1 0 396.513 -0.383 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262356733 1073966057 /nfs/dbraw/zinc/96/60/57/1073966057.db2.gz JRGDLUVXOYMRJH-MRXNPFEDSA-N 1 0 396.513 -0.383 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C[C@H]12 ZINC000262359574 1073966214 /nfs/dbraw/zinc/96/62/14/1073966214.db2.gz IJEJMHNGCJBRNX-CWRNSKLLSA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C[C@@H]12 ZINC000262359577 1073966010 /nfs/dbraw/zinc/96/60/10/1073966010.db2.gz IJEJMHNGCJBRNX-FVQBIDKESA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C[C@@H]12 ZINC000262359581 1073966298 /nfs/dbraw/zinc/96/62/98/1073966298.db2.gz IJEJMHNGCJBRNX-NUEKZKHPSA-N 1 0 392.481 -0.384 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C[C@H]12 ZINC000262359584 1073965996 /nfs/dbraw/zinc/96/59/96/1073965996.db2.gz IJEJMHNGCJBRNX-VNQPRFMTSA-N 1 0 392.481 -0.384 20 0 GBADRO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262369591 1073965978 /nfs/dbraw/zinc/96/59/78/1073965978.db2.gz WMPQZCKRIXZPML-GOSISDBHSA-N 1 0 397.479 -0.436 20 0 GBADRO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262369592 1073966174 /nfs/dbraw/zinc/96/61/74/1073966174.db2.gz WMPQZCKRIXZPML-SFHVURJKSA-N 1 0 397.479 -0.436 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC000262370438 1073966240 /nfs/dbraw/zinc/96/62/40/1073966240.db2.gz IMENLTCZXWZJFB-UHFFFAOYSA-N 1 0 382.486 -0.453 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262376899 530353706 /nfs/dbraw/zinc/35/37/06/530353706.db2.gz MJCVYBFGUJIGID-JTQLQIEISA-N 1 0 386.250 -0.783 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262376904 530353577 /nfs/dbraw/zinc/35/35/77/530353577.db2.gz MJCVYBFGUJIGID-SNVBAGLBSA-N 1 0 386.250 -0.783 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262387467 1073966975 /nfs/dbraw/zinc/96/69/75/1073966975.db2.gz NVHKPOBYELYANR-KBPBESRZSA-N 1 0 384.477 -0.001 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262387470 1073966824 /nfs/dbraw/zinc/96/68/24/1073966824.db2.gz NVHKPOBYELYANR-KGLIPLIRSA-N 1 0 384.477 -0.001 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262387474 1073966905 /nfs/dbraw/zinc/96/69/05/1073966905.db2.gz NVHKPOBYELYANR-UONOGXRCSA-N 1 0 384.477 -0.001 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262387477 1073966894 /nfs/dbraw/zinc/96/68/94/1073966894.db2.gz NVHKPOBYELYANR-ZIAGYGMSSA-N 1 0 384.477 -0.001 20 0 GBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CC1 ZINC000262388307 1073966980 /nfs/dbraw/zinc/96/69/80/1073966980.db2.gz MKVJPLVRHBZIMA-GDBMZVCRSA-N 1 0 382.486 -0.326 20 0 GBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)CC1 ZINC000262388308 1073966793 /nfs/dbraw/zinc/96/67/93/1073966793.db2.gz MKVJPLVRHBZIMA-GOEBONIOSA-N 1 0 382.486 -0.326 20 0 GBADRO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262391262 1073966968 /nfs/dbraw/zinc/96/69/68/1073966968.db2.gz YUYYEBMFWSWVKO-INIZCTEOSA-N 1 0 396.513 -0.269 20 0 GBADRO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262391264 1073966830 /nfs/dbraw/zinc/96/68/30/1073966830.db2.gz YUYYEBMFWSWVKO-MRXNPFEDSA-N 1 0 396.513 -0.269 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CNC(=O)C[NH3+])s1 ZINC000262391938 530211880 /nfs/dbraw/zinc/21/18/80/530211880.db2.gz MIOZUCBCHIHUCU-UHFFFAOYSA-N 1 0 376.504 -0.488 20 0 GBADRO COC[C@@]1(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1 ZINC000262395376 530353565 /nfs/dbraw/zinc/35/35/65/530353565.db2.gz ZEMSWHPRKBPBPF-HNNXBMFYSA-N 1 0 391.515 -0.016 20 0 GBADRO COC[C@]1(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC[NH2+]1 ZINC000262395383 530353767 /nfs/dbraw/zinc/35/37/67/530353767.db2.gz ZEMSWHPRKBPBPF-OAHLLOKOSA-N 1 0 391.515 -0.016 20 0 GBADRO CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(=O)C[NH3+] ZINC000262396922 1073966945 /nfs/dbraw/zinc/96/69/45/1073966945.db2.gz NBZUEFYPAYVXCT-UHFFFAOYSA-N 1 0 399.473 -0.847 20 0 GBADRO COc1cc(CN2CCN(C(=O)CNC(=O)C[NH3+])CC2)cc(OC)c1OC ZINC000262403002 1073966713 /nfs/dbraw/zinc/96/67/13/1073966713.db2.gz OAFITIDSKLGTQG-UHFFFAOYSA-N 1 0 380.445 -0.569 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000262403218 637405145 /nfs/dbraw/zinc/40/51/45/637405145.db2.gz AAUXGJBIZFDODC-CYBMUJFWSA-N 1 0 393.531 -0.691 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000262403219 637405302 /nfs/dbraw/zinc/40/53/02/637405302.db2.gz AAUXGJBIZFDODC-ZDUSSCGKSA-N 1 0 393.531 -0.691 20 0 GBADRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262404759 530464658 /nfs/dbraw/zinc/46/46/58/530464658.db2.gz BBTUSRSREDVQFO-ZDUSSCGKSA-N 1 0 386.499 -0.174 20 0 GBADRO [NH3+]CCc1nc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cs1 ZINC000262405886 530211901 /nfs/dbraw/zinc/21/19/01/530211901.db2.gz RQQVNHOBHOLUFT-LLVKDONJSA-N 1 0 376.504 -0.137 20 0 GBADRO [NH3+]CCc1nc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cs1 ZINC000262405888 530212010 /nfs/dbraw/zinc/21/20/10/530212010.db2.gz RQQVNHOBHOLUFT-NSHDSACASA-N 1 0 376.504 -0.137 20 0 GBADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000262408310 1073967079 /nfs/dbraw/zinc/96/70/79/1073967079.db2.gz OYCXUBMENCDLMN-DGCLKSJQSA-N 1 0 379.442 -0.881 20 0 GBADRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000262408312 1073966800 /nfs/dbraw/zinc/96/68/00/1073966800.db2.gz OYCXUBMENCDLMN-WCQYABFASA-N 1 0 379.442 -0.881 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262412239 1073967116 /nfs/dbraw/zinc/96/71/16/1073967116.db2.gz OIWPKCBVVCASNJ-UHFFFAOYSA-N 1 0 386.474 -0.342 20 0 GBADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000262416276 1073966994 /nfs/dbraw/zinc/96/69/94/1073966994.db2.gz QFGJVSJPRYQRCL-AWEZNQCLSA-N 1 0 376.413 -0.132 20 0 GBADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000262416278 1073967133 /nfs/dbraw/zinc/96/71/33/1073967133.db2.gz QFGJVSJPRYQRCL-CQSZACIVSA-N 1 0 376.413 -0.132 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262419189 530212143 /nfs/dbraw/zinc/21/21/43/530212143.db2.gz QRCKKJREMVJGOO-UHFFFAOYSA-N 1 0 380.879 -0.691 20 0 GBADRO COCC1(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000262426576 530353412 /nfs/dbraw/zinc/35/34/12/530353412.db2.gz VWJSGHACIOLUAX-AWEZNQCLSA-N 1 0 377.507 -0.393 20 0 GBADRO COCC1(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000262426577 530353089 /nfs/dbraw/zinc/35/30/89/530353089.db2.gz VWJSGHACIOLUAX-CQSZACIVSA-N 1 0 377.507 -0.393 20 0 GBADRO [NH3+]CC(=O)NCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000262431173 530211903 /nfs/dbraw/zinc/21/19/03/530211903.db2.gz SLXXTHHDWYAOJX-UHFFFAOYSA-N 1 0 388.515 -0.344 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262432610 1073476266 /nfs/dbraw/zinc/47/62/66/1073476266.db2.gz SEZDXZZGZAWWNW-LLVKDONJSA-N 1 0 394.457 -0.586 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262432611 1073476564 /nfs/dbraw/zinc/47/65/64/1073476564.db2.gz SEZDXZZGZAWWNW-NSHDSACASA-N 1 0 394.457 -0.586 20 0 GBADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262437121 1073967812 /nfs/dbraw/zinc/96/78/12/1073967812.db2.gz GOZLLDMPSUYZBK-OKILXGFUSA-N 1 0 378.454 -0.902 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262441982 1073967536 /nfs/dbraw/zinc/96/75/36/1073967536.db2.gz HUMKGCJWBHRVDW-OKILXGFUSA-N 1 0 380.470 -0.057 20 0 GBADRO [NH3+]CCc1nc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cs1 ZINC000262443769 1073967586 /nfs/dbraw/zinc/96/75/86/1073967586.db2.gz YITTZUGNDKUZSN-UHFFFAOYSA-N 1 0 389.485 -0.097 20 0 GBADRO CCN1C(=O)c2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2S1(=O)=O ZINC000262444360 1073967670 /nfs/dbraw/zinc/96/76/70/1073967670.db2.gz VEVPLPXRDFZVKG-AWEZNQCLSA-N 1 0 392.481 -0.029 20 0 GBADRO CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2S1(=O)=O ZINC000262444364 1073967809 /nfs/dbraw/zinc/96/78/09/1073967809.db2.gz VEVPLPXRDFZVKG-CQSZACIVSA-N 1 0 392.481 -0.029 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CNC(=O)C[NH3+])C2)cc1 ZINC000262464632 1073967881 /nfs/dbraw/zinc/96/78/81/1073967881.db2.gz YDRNLIXECSNJLC-AWEZNQCLSA-N 1 0 382.486 -0.413 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CNC(=O)C[NH3+])C2)cc1 ZINC000262464634 1073967820 /nfs/dbraw/zinc/96/78/20/1073967820.db2.gz YDRNLIXECSNJLC-CQSZACIVSA-N 1 0 382.486 -0.413 20 0 GBADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262466501 530465973 /nfs/dbraw/zinc/46/59/73/530465973.db2.gz GHYSRTGORQBQRV-NXEZZACHSA-N 1 0 379.891 -0.043 20 0 GBADRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262466508 530465662 /nfs/dbraw/zinc/46/56/62/530465662.db2.gz GHYSRTGORQBQRV-VHSXEESVSA-N 1 0 379.891 -0.043 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262467136 1073967804 /nfs/dbraw/zinc/96/78/04/1073967804.db2.gz NYERRDICIYAGTP-BNOWGMLFSA-N 1 0 380.470 -0.010 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262467139 1073967760 /nfs/dbraw/zinc/96/77/60/1073967760.db2.gz NYERRDICIYAGTP-FPMFFAJLSA-N 1 0 380.470 -0.010 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262469531 530212412 /nfs/dbraw/zinc/21/24/12/530212412.db2.gz YTOFOXFYEISPLK-UHFFFAOYSA-N 1 0 394.906 -0.301 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000262477859 1073967734 /nfs/dbraw/zinc/96/77/34/1073967734.db2.gz CLWJSTRMODFDAD-AWEZNQCLSA-N 1 0 387.506 -0.221 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000262477862 1073967795 /nfs/dbraw/zinc/96/77/95/1073967795.db2.gz CLWJSTRMODFDAD-CQSZACIVSA-N 1 0 387.506 -0.221 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCC[NH3+])c1OC ZINC000262478213 1073968830 /nfs/dbraw/zinc/96/88/30/1073968830.db2.gz PWBVWANRDBWZGH-UHFFFAOYSA-N 1 0 387.458 -0.197 20 0 GBADRO COCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000262478485 1073968509 /nfs/dbraw/zinc/96/85/09/1073968509.db2.gz COLZTZHGWYKNFU-UHFFFAOYSA-N 1 0 386.474 -0.382 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000262481432 1073968577 /nfs/dbraw/zinc/96/85/77/1073968577.db2.gz RNSIFNZJOKFPTM-CALCHBBNSA-N 1 0 392.525 -0.021 20 0 GBADRO CS(=O)(=O)N(c1ccc(OCCNC2=[NH+]CCCN2)cc1)S(C)(=O)=O ZINC000262483090 637408241 /nfs/dbraw/zinc/40/82/41/637408241.db2.gz ZRZBSZBLKJOFGF-UHFFFAOYSA-N 1 0 390.487 -0.270 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000262486325 1073968856 /nfs/dbraw/zinc/96/88/56/1073968856.db2.gz UXIFUWZNNSPJPR-GHMZBOCLSA-N 1 0 381.458 -0.328 20 0 GBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)[C@H](C)[NH3+] ZINC000262486328 1073968796 /nfs/dbraw/zinc/96/87/96/1073968796.db2.gz UXIFUWZNNSPJPR-MNOVXSKESA-N 1 0 381.458 -0.328 20 0 GBADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000262486330 1073968713 /nfs/dbraw/zinc/96/87/13/1073968713.db2.gz UXIFUWZNNSPJPR-QWRGUYRKSA-N 1 0 381.458 -0.328 20 0 GBADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000262486332 1073968498 /nfs/dbraw/zinc/96/84/98/1073968498.db2.gz UXIFUWZNNSPJPR-WDEREUQCSA-N 1 0 381.458 -0.328 20 0 GBADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262493701 530353584 /nfs/dbraw/zinc/35/35/84/530353584.db2.gz VTAKZPCQZOHIMI-CYBMUJFWSA-N 1 0 391.515 -0.016 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N(CCC[NH3+])Cc1ccccc1)c(=O)n2C ZINC000262493707 1073968419 /nfs/dbraw/zinc/96/84/19/1073968419.db2.gz VTEDGNQXZZZDCS-UHFFFAOYSA-N 1 0 384.440 -0.189 20 0 GBADRO Cn1c2ncn(CC(=O)N(CCC[NH3+])Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000262495009 1073968802 /nfs/dbraw/zinc/96/88/02/1073968802.db2.gz WDYAGRIWDYGFHL-UHFFFAOYSA-N 1 0 384.440 -0.189 20 0 GBADRO CN(CC(=O)NCCCN1CC[NH2+]CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000262496817 1073495963 /nfs/dbraw/zinc/49/59/63/1073495963.db2.gz CXNZKMMVWIASAS-UHFFFAOYSA-N 1 0 379.486 -0.521 20 0 GBADRO CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262499922 530212508 /nfs/dbraw/zinc/21/25/08/530212508.db2.gz BBXIAXMURQONPU-UHFFFAOYSA-N 1 0 378.476 -0.810 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2=O)c1 ZINC000262500868 1073968849 /nfs/dbraw/zinc/96/88/49/1073968849.db2.gz YGHMKSBCTHWFFA-RWMBFGLXSA-N 1 0 378.454 -0.635 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2=O)c1 ZINC000262500874 1073968443 /nfs/dbraw/zinc/96/84/43/1073968443.db2.gz YGHMKSBCTHWFFA-UPJWGTAASA-N 1 0 378.454 -0.635 20 0 GBADRO C[NH2+][C@H](C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1cnn(C)c1 ZINC000262503434 1073968480 /nfs/dbraw/zinc/96/84/80/1073968480.db2.gz IYQSNTBNEDOAIR-INIZCTEOSA-N 1 0 375.433 -0.240 20 0 GBADRO C[NH2+][C@@H](C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1cnn(C)c1 ZINC000262503441 1073968535 /nfs/dbraw/zinc/96/85/35/1073968535.db2.gz IYQSNTBNEDOAIR-MRXNPFEDSA-N 1 0 375.433 -0.240 20 0 GBADRO CCN(CC)S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262506112 530466381 /nfs/dbraw/zinc/46/63/81/530466381.db2.gz HEIAFTMREDBFDN-UHFFFAOYSA-N 1 0 392.503 -0.466 20 0 GBADRO CC(C)CS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262506127 530466355 /nfs/dbraw/zinc/46/63/55/530466355.db2.gz HGLRNUZSFKBBBG-UHFFFAOYSA-N 1 0 377.488 -0.067 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000262507280 530466284 /nfs/dbraw/zinc/46/62/84/530466284.db2.gz HZHPJJWTGWJQRM-UHFFFAOYSA-N 1 0 388.515 -0.596 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCN2CCCS2(=O)=O)c1 ZINC000262512548 530466475 /nfs/dbraw/zinc/46/64/75/530466475.db2.gz OBCPZZSNOYLLCH-UHFFFAOYSA-N 1 0 390.487 -0.712 20 0 GBADRO CN(CCCC(=O)NCCN1CC[NH2+]CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000262516457 1073514878 /nfs/dbraw/zinc/51/48/78/1073514878.db2.gz SLMLZNFOVYUBJF-UHFFFAOYSA-N 1 0 393.513 -0.131 20 0 GBADRO COCCN1C(=O)c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2S1(=O)=O ZINC000262516469 1073514940 /nfs/dbraw/zinc/51/49/40/1073514940.db2.gz SQARETRBMQVYIP-UHFFFAOYSA-N 1 0 396.469 -0.888 20 0 GBADRO CCS(=O)(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000262516493 530466641 /nfs/dbraw/zinc/46/66/41/530466641.db2.gz SYDMYGHBBORIIU-UHFFFAOYSA-N 1 0 378.476 -0.856 20 0 GBADRO CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000262520573 1073516758 /nfs/dbraw/zinc/51/67/58/1073516758.db2.gz KTBLOBLJZORMKT-GFCCVEGCSA-N 1 0 386.474 -0.030 20 0 GBADRO CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000262520576 1073516969 /nfs/dbraw/zinc/51/69/69/1073516969.db2.gz KTBLOBLJZORMKT-LBPRGKRZSA-N 1 0 386.474 -0.030 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@H](C)C[NH3+])c1OC ZINC000262520872 1073516945 /nfs/dbraw/zinc/51/69/45/1073516945.db2.gz IJQDHDLCQGLGGN-NSHDSACASA-N 1 0 387.458 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C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000262540223 530467875 /nfs/dbraw/zinc/46/78/75/530467875.db2.gz FRTIHRULNJFRMI-VXGBXAGGSA-N 1 0 388.515 -0.272 20 0 GBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[C@H](C)[NH3+] ZINC000262544955 1073969703 /nfs/dbraw/zinc/96/97/03/1073969703.db2.gz UUIRYVUYGHCECS-NEPJUHHUSA-N 1 0 396.469 -0.166 20 0 GBADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262544956 1073969476 /nfs/dbraw/zinc/96/94/76/1073969476.db2.gz UUIRYVUYGHCECS-NWDGAFQWSA-N 1 0 396.469 -0.166 20 0 GBADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262544957 1073969497 /nfs/dbraw/zinc/96/94/97/1073969497.db2.gz UUIRYVUYGHCECS-RYUDHWBXSA-N 1 0 396.469 -0.166 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000262544959 1073969570 /nfs/dbraw/zinc/96/95/70/1073969570.db2.gz UUIRYVUYGHCECS-VXGBXAGGSA-N 1 0 396.469 -0.166 20 0 GBADRO [NH3+]C1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000262547147 1073531076 /nfs/dbraw/zinc/53/10/76/1073531076.db2.gz MTUVIPQIYNZCML-UHFFFAOYSA-N 1 0 380.470 -0.193 20 0 GBADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C2=O ZINC000262554551 1073748588 /nfs/dbraw/zinc/74/85/88/1073748588.db2.gz WCCFJYHKHHGVMW-TYILLQQXSA-N 1 0 393.488 -0.199 20 0 GBADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000262556958 1073969584 /nfs/dbraw/zinc/96/95/84/1073969584.db2.gz ZDTHXJWCQSARGC-HNNXBMFYSA-N 1 0 396.513 -0.159 20 0 GBADRO C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000262557017 1073749501 /nfs/dbraw/zinc/74/95/01/1073749501.db2.gz ZLKYLHYRBACIQW-CHWSQXEVSA-N 1 0 379.461 -0.447 20 0 GBADRO C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1C(=O)NC2(CCCC2)C1=O ZINC000262557024 1073749824 /nfs/dbraw/zinc/74/98/24/1073749824.db2.gz ZLKYLHYRBACIQW-STQMWFEESA-N 1 0 379.461 -0.447 20 0 GBADRO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000262557327 1073750053 /nfs/dbraw/zinc/75/00/53/1073750053.db2.gz ZYYMYWPMQXIEQT-OAHLLOKOSA-N 1 0 394.497 -0.064 20 0 GBADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262580146 1073628404 /nfs/dbraw/zinc/62/84/04/1073628404.db2.gz OCMVJEDQPFYGGG-ZDUSSCGKSA-N 1 0 380.470 -0.464 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000262587280 1073762023 /nfs/dbraw/zinc/76/20/23/1073762023.db2.gz PRZRQXWNPBSPNN-CQSZACIVSA-N 1 0 380.470 -0.369 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCC[C@H]3CC[NH2+]C3)CC2=O)c1 ZINC000262588261 1073762756 /nfs/dbraw/zinc/76/27/56/1073762756.db2.gz PXDLVZFGHZHOEA-CHWSQXEVSA-N 1 0 380.470 -0.197 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262596451 1073770503 /nfs/dbraw/zinc/77/05/03/1073770503.db2.gz YIGSXJDINVGBPH-OCCSQVGLSA-N 1 0 380.470 -0.103 20 0 GBADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262598367 637410189 /nfs/dbraw/zinc/41/01/89/637410189.db2.gz AHYNDUSOQOEHFR-GXTWGEPZSA-N 1 0 381.520 -0.835 20 0 GBADRO CCC[C@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262598368 637410922 /nfs/dbraw/zinc/41/09/22/637410922.db2.gz AHYNDUSOQOEHFR-JSGCOSHPSA-N 1 0 381.520 -0.835 20 0 GBADRO CCC[C@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262598369 637410707 /nfs/dbraw/zinc/41/07/07/637410707.db2.gz AHYNDUSOQOEHFR-OCCSQVGLSA-N 1 0 381.520 -0.835 20 0 GBADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262598370 637410656 /nfs/dbraw/zinc/41/06/56/637410656.db2.gz AHYNDUSOQOEHFR-TZMCWYRMSA-N 1 0 381.520 -0.835 20 0 GBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262601434 637410811 /nfs/dbraw/zinc/41/08/11/637410811.db2.gz COFRADRBTKTPGE-AVGNSLFASA-N 1 0 381.520 -0.979 20 0 GBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262601436 637410897 /nfs/dbraw/zinc/41/08/97/637410897.db2.gz COFRADRBTKTPGE-XQQFMLRXSA-N 1 0 381.520 -0.979 20 0 GBADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262601497 637410910 /nfs/dbraw/zinc/41/09/10/637410910.db2.gz DAIKGTUQYFQAAD-NWDGAFQWSA-N 1 0 381.520 -0.979 20 0 GBADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262601498 637410836 /nfs/dbraw/zinc/41/08/36/637410836.db2.gz DAIKGTUQYFQAAD-VXGBXAGGSA-N 1 0 381.520 -0.979 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000262602946 1073775755 /nfs/dbraw/zinc/77/57/55/1073775755.db2.gz RACRWFQLZWMWFY-AWEZNQCLSA-N 1 0 394.497 -0.027 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000262602948 1073775693 /nfs/dbraw/zinc/77/56/93/1073775693.db2.gz RACRWFQLZWMWFY-CQSZACIVSA-N 1 0 394.497 -0.027 20 0 GBADRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262617514 637410946 /nfs/dbraw/zinc/41/09/46/637410946.db2.gz MAPJTXDBXVRNHX-OLZOCXBDSA-N 1 0 381.520 -0.979 20 0 GBADRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262617516 637410732 /nfs/dbraw/zinc/41/07/32/637410732.db2.gz MAPJTXDBXVRNHX-STQMWFEESA-N 1 0 381.520 -0.979 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000262635482 1073811353 /nfs/dbraw/zinc/81/13/53/1073811353.db2.gz HDUYIAQTULQNCG-OAHLLOKOSA-N 1 0 382.486 -0.773 20 0 GBADRO O=C([C@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000262641785 530473585 /nfs/dbraw/zinc/47/35/85/530473585.db2.gz ZTQNCTCESNDRBM-CYBMUJFWSA-N 1 0 375.397 -0.214 20 0 GBADRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000262641786 530473726 /nfs/dbraw/zinc/47/37/26/530473726.db2.gz ZTQNCTCESNDRBM-ZDUSSCGKSA-N 1 0 375.397 -0.214 20 0 GBADRO COCC[NH2+]CCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000262643396 530353755 /nfs/dbraw/zinc/35/37/55/530353755.db2.gz IGVIMONBYQQVRC-UHFFFAOYSA-N 1 0 377.488 -0.265 20 0 GBADRO COC1(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC[NH2+]CC1 ZINC000262654271 530474065 /nfs/dbraw/zinc/47/40/65/530474065.db2.gz YGSSIBAEGKKKTC-UHFFFAOYSA-N 1 0 377.507 -0.346 20 0 GBADRO COCC[NH2+]CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000262655361 1073971809 /nfs/dbraw/zinc/97/18/09/1073971809.db2.gz LKSILEFCXHLFKN-UHFFFAOYSA-N 1 0 398.529 -0.346 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)C[C@H](C)O1 ZINC000262656159 530474041 /nfs/dbraw/zinc/47/40/41/530474041.db2.gz XBKVEPSKQNENRY-HZSPNIEDSA-N 1 0 376.523 -0.142 20 0 GBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)C[C@H](C)O1 ZINC000262656163 530473910 /nfs/dbraw/zinc/47/39/10/530473910.db2.gz XBKVEPSKQNENRY-MELADBBJSA-N 1 0 376.523 -0.142 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000262656165 530474094 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MDCZLCRPEBZCFM-ZDUSSCGKSA-N 1 0 391.515 -0.016 20 0 GBADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262772265 530477536 /nfs/dbraw/zinc/47/75/36/530477536.db2.gz VYPPCBJRAFYDQS-CYBMUJFWSA-N 1 0 389.499 -0.181 20 0 GBADRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262772268 530477665 /nfs/dbraw/zinc/47/76/65/530477665.db2.gz VYPPCBJRAFYDQS-ZDUSSCGKSA-N 1 0 389.499 -0.181 20 0 GBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCCN1CC[NH2+]CC1 ZINC000262772427 637414003 /nfs/dbraw/zinc/41/40/03/637414003.db2.gz WGQQWDQOCVGWGZ-UHFFFAOYSA-N 1 0 390.531 -0.820 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000262772443 1073845826 /nfs/dbraw/zinc/84/58/26/1073845826.db2.gz WHEFLJVYAIZESK-UHFFFAOYSA-N 1 0 385.442 -0.557 20 0 GBADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262773756 530477451 /nfs/dbraw/zinc/47/74/51/530477451.db2.gz WPDDNQMLDDPIPL-GFCCVEGCSA-N 1 0 377.488 -0.325 20 0 GBADRO 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AJIHFNWFZNKYGU-PBHICJAKSA-N 1 0 381.521 -0.323 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000262943962 1073868324 /nfs/dbraw/zinc/86/83/24/1073868324.db2.gz AJIHFNWFZNKYGU-YOEHRIQHSA-N 1 0 381.521 -0.323 20 0 GBADRO C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[NH2+]1 ZINC000262959572 1073874557 /nfs/dbraw/zinc/87/45/57/1073874557.db2.gz WJEIYCIFNWLUAY-GXTWGEPZSA-N 1 0 380.470 -0.323 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[NH2+]1 ZINC000262959574 1073874119 /nfs/dbraw/zinc/87/41/19/1073874119.db2.gz WJEIYCIFNWLUAY-JSGCOSHPSA-N 1 0 380.470 -0.323 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[NH2+]1 ZINC000262959578 1073873908 /nfs/dbraw/zinc/87/39/08/1073873908.db2.gz WJEIYCIFNWLUAY-TZMCWYRMSA-N 1 0 380.470 -0.323 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000263074230 1073977048 /nfs/dbraw/zinc/97/70/48/1073977048.db2.gz CEZCXNIHHDIWBB-QAPCUYQASA-N 1 0 376.505 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376.479 -0.937 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000264430592 530213792 /nfs/dbraw/zinc/21/37/92/530213792.db2.gz NYOJJCBTZHUDAE-CYBMUJFWSA-N 1 0 390.531 -0.491 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000264430595 530213798 /nfs/dbraw/zinc/21/37/98/530213798.db2.gz NYOJJCBTZHUDAE-ZDUSSCGKSA-N 1 0 390.531 -0.491 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264438414 530214235 /nfs/dbraw/zinc/21/42/35/530214235.db2.gz BMPMEWPXPAVDSC-NEPJUHHUSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264438416 530214157 /nfs/dbraw/zinc/21/41/57/530214157.db2.gz BMPMEWPXPAVDSC-NWDGAFQWSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264438418 530214106 /nfs/dbraw/zinc/21/41/06/530214106.db2.gz BMPMEWPXPAVDSC-RYUDHWBXSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264438420 530214137 /nfs/dbraw/zinc/21/41/37/530214137.db2.gz BMPMEWPXPAVDSC-VXGBXAGGSA-N 1 0 388.515 -0.129 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000264467063 530214248 /nfs/dbraw/zinc/21/42/48/530214248.db2.gz FRPXZCFGYMBSAM-JTQLQIEISA-N 1 0 396.249 -0.044 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000264467066 530214261 /nfs/dbraw/zinc/21/42/61/530214261.db2.gz FRPXZCFGYMBSAM-SNVBAGLBSA-N 1 0 396.249 -0.044 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000264496002 530213961 /nfs/dbraw/zinc/21/39/61/530213961.db2.gz JSVDCDVVQQBKDD-GFCCVEGCSA-N 1 0 388.515 -0.128 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000264496004 530214192 /nfs/dbraw/zinc/21/41/92/530214192.db2.gz JSVDCDVVQQBKDD-LBPRGKRZSA-N 1 0 388.515 -0.128 20 0 GBADRO Cn1c2c(nc1N1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)n(C)c(=O)[nH]c2=O ZINC000264510685 1073478636 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GBADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000265069842 530215015 /nfs/dbraw/zinc/21/50/15/530215015.db2.gz WALYVYGBSZMJRF-GFCCVEGCSA-N 1 0 377.488 -0.287 20 0 GBADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000265069843 530215001 /nfs/dbraw/zinc/21/50/01/530215001.db2.gz WALYVYGBSZMJRF-LBPRGKRZSA-N 1 0 377.488 -0.287 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000265308138 530215152 /nfs/dbraw/zinc/21/51/52/530215152.db2.gz OYMVJDAIXLRPJE-GFCCVEGCSA-N 1 0 377.488 -0.454 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000265308139 530215110 /nfs/dbraw/zinc/21/51/10/530215110.db2.gz OYMVJDAIXLRPJE-LBPRGKRZSA-N 1 0 377.488 -0.454 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000265308148 530215360 /nfs/dbraw/zinc/21/53/60/530215360.db2.gz OZQGNXVBRMTARU-CYBMUJFWSA-N 1 0 391.515 -0.112 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000265308149 530215145 /nfs/dbraw/zinc/21/51/45/530215145.db2.gz OZQGNXVBRMTARU-ZDUSSCGKSA-N 1 0 391.515 -0.112 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000265347847 530215570 /nfs/dbraw/zinc/21/55/70/530215570.db2.gz BCOHFBBOOWPEGC-UHFFFAOYSA-N 1 0 375.422 -0.138 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000265859982 530216575 /nfs/dbraw/zinc/21/65/75/530216575.db2.gz MDVFGTAEOHOMKO-CYBMUJFWSA-N 1 0 390.531 -0.491 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000265859983 530216689 /nfs/dbraw/zinc/21/66/89/530216689.db2.gz MDVFGTAEOHOMKO-ZDUSSCGKSA-N 1 0 390.531 -0.491 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000265970633 530216568 /nfs/dbraw/zinc/21/65/68/530216568.db2.gz KSYNGHKXUPQSEW-CYBMUJFWSA-N 1 0 390.531 -0.491 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000265970634 530216561 /nfs/dbraw/zinc/21/65/61/530216561.db2.gz KSYNGHKXUPQSEW-ZDUSSCGKSA-N 1 0 390.531 -0.491 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(CCOC)CC[NH+](C)C)c1 ZINC000266086491 530217131 /nfs/dbraw/zinc/21/71/31/530217131.db2.gz CMOQCGCJJZXEOL-UHFFFAOYSA-N 1 0 376.479 -0.410 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000266091858 530217050 /nfs/dbraw/zinc/21/70/50/530217050.db2.gz IVDHGZPHIJWHKR-GFCCVEGCSA-N 1 0 375.495 -0.602 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000266091860 530216960 /nfs/dbraw/zinc/21/69/60/530216960.db2.gz IVDHGZPHIJWHKR-LBPRGKRZSA-N 1 0 375.495 -0.602 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)CCCOC)cc1 ZINC000266168263 530216971 /nfs/dbraw/zinc/21/69/71/530216971.db2.gz IUOCAUXYCAVKCM-UHFFFAOYSA-N 1 0 379.504 -0.159 20 0 GBADRO CS(=O)(=O)CCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000266183229 530216877 /nfs/dbraw/zinc/21/68/77/530216877.db2.gz GQDMHEQHBVLZOG-UHFFFAOYSA-N 1 0 389.543 -0.232 20 0 GBADRO CS(=O)(=O)CCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000266196948 530217031 /nfs/dbraw/zinc/21/70/31/530217031.db2.gz RRNXLPOHXZKNFQ-UHFFFAOYSA-N 1 0 390.531 -0.442 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc2)CC1 ZINC000266219022 530217490 /nfs/dbraw/zinc/21/74/90/530217490.db2.gz PARQRSKMXOZACQ-UHFFFAOYSA-N 1 0 389.543 -0.102 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CCCOC)c1 ZINC000266237008 530217416 /nfs/dbraw/zinc/21/74/16/530217416.db2.gz VNCFEGBHXAZZCW-UHFFFAOYSA-N 1 0 379.504 -0.159 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cs1 ZINC000266253602 530217304 /nfs/dbraw/zinc/21/73/04/530217304.db2.gz XFNZLBHXWIPPTD-UHFFFAOYSA-N 1 0 375.472 -0.071 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC[N@H+](C)CCOC)c1 ZINC000266816556 530217615 /nfs/dbraw/zinc/21/76/15/530217615.db2.gz IJBLQQVTLUKQKH-UHFFFAOYSA-N 1 0 376.479 -0.363 20 0 GBADRO COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000266823065 1072252828 /nfs/dbraw/zinc/25/28/28/1072252828.db2.gz KZNVONCRHPTMPP-OAHLLOKOSA-N 1 0 376.457 -0.049 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)s1 ZINC000266855173 530217704 /nfs/dbraw/zinc/21/77/04/530217704.db2.gz SMODLEKHLQSVSG-LLVKDONJSA-N 1 0 388.515 -0.318 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)s1 ZINC000266855175 530217879 /nfs/dbraw/zinc/21/78/79/530217879.db2.gz SMODLEKHLQSVSG-NSHDSACASA-N 1 0 388.515 -0.318 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 ZINC000266907490 530217817 /nfs/dbraw/zinc/21/78/17/530217817.db2.gz MWBWQVMCPNPEGJ-UHFFFAOYSA-N 1 0 376.479 -0.363 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCSC1 ZINC000267125165 530218082 /nfs/dbraw/zinc/21/80/82/530218082.db2.gz QOWVHHSGBGKANP-HNNXBMFYSA-N 1 0 386.499 -0.174 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCSC1 ZINC000267125169 530218223 /nfs/dbraw/zinc/21/82/23/530218223.db2.gz QOWVHHSGBGKANP-OAHLLOKOSA-N 1 0 386.499 -0.174 20 0 GBADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000267126053 530218229 /nfs/dbraw/zinc/21/82/29/530218229.db2.gz GDSKECDGPVVERW-UHFFFAOYSA-N 1 0 391.515 -0.110 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCSC1 ZINC000267404496 530218340 /nfs/dbraw/zinc/21/83/40/530218340.db2.gz XMERHSQKUOOBIO-HNNXBMFYSA-N 1 0 386.499 -0.174 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCSC1 ZINC000267404499 530218462 /nfs/dbraw/zinc/21/84/62/530218462.db2.gz XMERHSQKUOOBIO-OAHLLOKOSA-N 1 0 386.499 -0.174 20 0 GBADRO CCNC(=O)c1cccc(NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000267615646 1072284225 /nfs/dbraw/zinc/28/42/25/1072284225.db2.gz PDCODPRFVWCBKF-QGZVFWFLSA-N 1 0 378.473 0.000 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1Cl ZINC000267716444 530219142 /nfs/dbraw/zinc/21/91/42/530219142.db2.gz SRBCZSJOFKCBNU-UHFFFAOYSA-N 1 0 392.865 -0.376 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000267925755 530219443 /nfs/dbraw/zinc/21/94/43/530219443.db2.gz DBSSAXJTMISMAJ-UHFFFAOYSA-N 1 0 389.250 -0.219 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000268022753 530219934 /nfs/dbraw/zinc/21/99/34/530219934.db2.gz IFEWKUSXZVXPOJ-UHFFFAOYSA-N 1 0 393.531 -0.014 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000268049672 530220201 /nfs/dbraw/zinc/22/02/01/530220201.db2.gz RSIAYPGYXLBJLS-UHFFFAOYSA-N 1 0 393.531 -0.014 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000268049805 530220307 /nfs/dbraw/zinc/22/03/07/530220307.db2.gz RYFAVTMJAZICKC-UHFFFAOYSA-N 1 0 392.503 -0.519 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000268062032 530220455 /nfs/dbraw/zinc/22/04/55/530220455.db2.gz YXWCSFIBUBSQJA-UHFFFAOYSA-N 1 0 393.531 -0.014 20 0 GBADRO CC[NH+](CC)CCN(CCOC)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000268069282 530220443 /nfs/dbraw/zinc/22/04/43/530220443.db2.gz BWZPRYAISOKOJO-UHFFFAOYSA-N 1 0 375.495 -0.485 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000268091314 530220824 /nfs/dbraw/zinc/22/08/24/530220824.db2.gz YNFZVQMSSLWPQQ-UHFFFAOYSA-N 1 0 389.543 -0.056 20 0 GBADRO COc1cccc([C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c1 ZINC000268441208 1072300271 /nfs/dbraw/zinc/30/02/71/1072300271.db2.gz UDPGDLUONVHAQN-QGZVFWFLSA-N 1 0 398.529 -0.009 20 0 GBADRO C[C@@H]1CN(Cc2cccc(CN3C[C@@H](C)O[C@H](C(N)=O)C3)c2)C[C@H](C(N)=O)O1 ZINC000268485389 1072301737 /nfs/dbraw/zinc/30/17/37/1072301737.db2.gz TWIQFIXHCVLPGX-DTDBQYNISA-N 1 0 390.484 -0.164 20 0 GBADRO COCCC[N@H+](C)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268643784 530222267 /nfs/dbraw/zinc/22/22/67/530222267.db2.gz SCLUCGQRUSTFKO-UHFFFAOYSA-N 1 0 393.531 -0.147 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000268914613 1072308789 /nfs/dbraw/zinc/30/87/89/1072308789.db2.gz PAHYYSQIAIDCLX-CQSZACIVSA-N 1 0 377.445 -0.043 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000269015541 530223145 /nfs/dbraw/zinc/22/31/45/530223145.db2.gz YFQWDGDINLUZBY-GFCCVEGCSA-N 1 0 386.499 -0.226 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000269015544 530222943 /nfs/dbraw/zinc/22/29/43/530222943.db2.gz YFQWDGDINLUZBY-LBPRGKRZSA-N 1 0 386.499 -0.226 20 0 GBADRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000269073371 530223202 /nfs/dbraw/zinc/22/32/02/530223202.db2.gz BBTUSRSREDVQFO-CYBMUJFWSA-N 1 0 386.499 -0.174 20 0 GBADRO NS(=O)(=O)c1cc(C(=O)NCCN2CC[NH2+]CC2)sc1Br ZINC000269124773 530223201 /nfs/dbraw/zinc/22/32/01/530223201.db2.gz CAMPWTWOSDSKFO-UHFFFAOYSA-N 1 0 397.320 -0.207 20 0 GBADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000269213620 530223167 /nfs/dbraw/zinc/22/31/67/530223167.db2.gz SGTKADIQOUHWCU-DGCLKSJQSA-N 1 0 375.397 -0.480 20 0 GBADRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000269213622 530223209 /nfs/dbraw/zinc/22/32/09/530223209.db2.gz SGTKADIQOUHWCU-WCQYABFASA-N 1 0 375.397 -0.480 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000269339264 530223421 /nfs/dbraw/zinc/22/34/21/530223421.db2.gz FOMFJSAPMRHADW-CYBMUJFWSA-N 1 0 389.547 -0.120 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000269339267 530223402 /nfs/dbraw/zinc/22/34/02/530223402.db2.gz FOMFJSAPMRHADW-ZDUSSCGKSA-N 1 0 389.547 -0.120 20 0 GBADRO CN(CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1cccs1 ZINC000269347102 530223557 /nfs/dbraw/zinc/22/35/57/530223557.db2.gz IUYOJNZKAOHOPQ-CYBMUJFWSA-N 1 0 389.547 -0.086 20 0 GBADRO CN(CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)S(=O)(=O)c1cccs1 ZINC000269347103 530223649 /nfs/dbraw/zinc/22/36/49/530223649.db2.gz IUYOJNZKAOHOPQ-ZDUSSCGKSA-N 1 0 389.547 -0.086 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269446840 530223989 /nfs/dbraw/zinc/22/39/89/530223989.db2.gz CSBMBZPUXKUWFG-CYBMUJFWSA-N 1 0 389.547 -0.039 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269446842 530223930 /nfs/dbraw/zinc/22/39/30/530223930.db2.gz CSBMBZPUXKUWFG-ZDUSSCGKSA-N 1 0 389.547 -0.039 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269531496 530224500 /nfs/dbraw/zinc/22/45/00/530224500.db2.gz YRDIBKMJGZKFDI-GFCCVEGCSA-N 1 0 375.520 -0.429 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269531498 530224686 /nfs/dbraw/zinc/22/46/86/530224686.db2.gz YRDIBKMJGZKFDI-LBPRGKRZSA-N 1 0 375.520 -0.429 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCNS(=O)(=O)c2cccs2)CC1=O ZINC000269558446 530224349 /nfs/dbraw/zinc/22/43/49/530224349.db2.gz BYAQQKGEVNCDAQ-GFCCVEGCSA-N 1 0 388.515 -0.447 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccs2)CC1=O ZINC000269558447 530224671 /nfs/dbraw/zinc/22/46/71/530224671.db2.gz BYAQQKGEVNCDAQ-LBPRGKRZSA-N 1 0 388.515 -0.447 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000269617846 530224330 /nfs/dbraw/zinc/22/43/30/530224330.db2.gz SPDIGVJFWPZECX-JTQLQIEISA-N 1 0 389.250 -0.326 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269617847 530225125 /nfs/dbraw/zinc/22/51/25/530225125.db2.gz SPDIGVJFWPZECX-SNVBAGLBSA-N 1 0 389.250 -0.326 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COCc2cccs2)[C@@H](N2CCOCC2)C1 ZINC000269628840 530224905 /nfs/dbraw/zinc/22/49/05/530224905.db2.gz KQJSWBNWRXQYTM-BPUTZDHNSA-N 1 0 390.527 -0.287 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C[C@H](O)COCc2cccs2)[C@H](N2CCOCC2)C1 ZINC000269628842 530225121 /nfs/dbraw/zinc/22/51/21/530225121.db2.gz KQJSWBNWRXQYTM-CWRNSKLLSA-N 1 0 390.527 -0.287 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)[C@@H](N2CCOCC2)C1 ZINC000269628844 530225145 /nfs/dbraw/zinc/22/51/45/530225145.db2.gz KQJSWBNWRXQYTM-KBMXLJTQSA-N 1 0 390.527 -0.287 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)[C@H](N2CCOCC2)C1 ZINC000269628846 530224980 /nfs/dbraw/zinc/22/49/80/530224980.db2.gz KQJSWBNWRXQYTM-VNQPRFMTSA-N 1 0 390.527 -0.287 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000269650878 530225085 /nfs/dbraw/zinc/22/50/85/530225085.db2.gz JCYMWNKVIWYWGW-UHFFFAOYSA-N 1 0 376.504 -0.218 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000269660191 530224991 /nfs/dbraw/zinc/22/49/91/530224991.db2.gz BBBAFJFXTHWLIO-UHFFFAOYSA-N 1 0 391.515 -0.280 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000269700511 530224743 /nfs/dbraw/zinc/22/47/43/530224743.db2.gz KUSORVRUKVGBBE-CYBMUJFWSA-N 1 0 391.515 -0.280 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000269700516 530225079 /nfs/dbraw/zinc/22/50/79/530225079.db2.gz KUSORVRUKVGBBE-ZDUSSCGKSA-N 1 0 391.515 -0.280 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000269730147 530225436 /nfs/dbraw/zinc/22/54/36/530225436.db2.gz RDSWWXITXUVEFW-UHFFFAOYSA-N 1 0 391.515 -0.280 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000269732085 530225343 /nfs/dbraw/zinc/22/53/43/530225343.db2.gz CQYMYHFCDZWVSL-UHFFFAOYSA-N 1 0 391.515 -0.659 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000269749567 530225487 /nfs/dbraw/zinc/22/54/87/530225487.db2.gz CHHVXOUZERSRQF-HNNXBMFYSA-N 1 0 391.515 -0.282 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000269749568 530225215 /nfs/dbraw/zinc/22/52/15/530225215.db2.gz CHHVXOUZERSRQF-OAHLLOKOSA-N 1 0 391.515 -0.282 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000269752568 530225497 /nfs/dbraw/zinc/22/54/97/530225497.db2.gz FEIHUCIVBAXRAZ-AWEZNQCLSA-N 1 0 379.504 -0.803 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000269752570 530225262 /nfs/dbraw/zinc/22/52/62/530225262.db2.gz FEIHUCIVBAXRAZ-CQSZACIVSA-N 1 0 379.504 -0.803 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000269766171 530225349 /nfs/dbraw/zinc/22/53/49/530225349.db2.gz MQSODLOWDFBNAH-HNNXBMFYSA-N 1 0 391.515 -0.183 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000269766172 530225521 /nfs/dbraw/zinc/22/55/21/530225521.db2.gz MQSODLOWDFBNAH-OAHLLOKOSA-N 1 0 391.515 -0.183 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000269770611 530225255 /nfs/dbraw/zinc/22/52/55/530225255.db2.gz MMGGDOGRWSXZDX-UHFFFAOYSA-N 1 0 391.515 -0.328 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269772056 530225518 /nfs/dbraw/zinc/22/55/18/530225518.db2.gz PWCGJNIRTBQUKY-CYBMUJFWSA-N 1 0 383.467 -0.212 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269772059 530225243 /nfs/dbraw/zinc/22/52/43/530225243.db2.gz PWCGJNIRTBQUKY-ZDUSSCGKSA-N 1 0 383.467 -0.212 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(C(=O)OC)s1 ZINC000269772659 530225493 /nfs/dbraw/zinc/22/54/93/530225493.db2.gz QDMDOVGQPJISJB-AWEZNQCLSA-N 1 0 394.471 -0.088 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C(=O)OC)s1 ZINC000269772660 530225236 /nfs/dbraw/zinc/22/52/36/530225236.db2.gz QDMDOVGQPJISJB-CQSZACIVSA-N 1 0 394.471 -0.088 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000269786506 530225924 /nfs/dbraw/zinc/22/59/24/530225924.db2.gz XFERQVXHOFCTMY-AWEZNQCLSA-N 1 0 379.504 -0.472 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000269786507 530225895 /nfs/dbraw/zinc/22/58/95/530225895.db2.gz XFERQVXHOFCTMY-CQSZACIVSA-N 1 0 379.504 -0.472 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000269786718 530225902 /nfs/dbraw/zinc/22/59/02/530225902.db2.gz PUQRXDUOPLVCMR-UHFFFAOYSA-N 1 0 380.463 -0.036 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269790858 530225886 /nfs/dbraw/zinc/22/58/86/530225886.db2.gz ZESYRIFVNLFADG-AWEZNQCLSA-N 1 0 379.504 -0.472 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269790861 530225794 /nfs/dbraw/zinc/22/57/94/530225794.db2.gz ZESYRIFVNLFADG-CQSZACIVSA-N 1 0 379.504 -0.472 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000269814327 530225890 /nfs/dbraw/zinc/22/58/90/530225890.db2.gz VAVBFTAAOPALCR-UHFFFAOYSA-N 1 0 391.515 -0.328 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000269833544 530501137 /nfs/dbraw/zinc/50/11/37/530501137.db2.gz XTOPSGDPLGGZIF-UHFFFAOYSA-N 1 0 377.488 -0.670 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000269873545 530226654 /nfs/dbraw/zinc/22/66/54/530226654.db2.gz GOLYSGZRTFICCB-HNNXBMFYSA-N 1 0 390.531 -0.205 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000269873547 530226543 /nfs/dbraw/zinc/22/65/43/530226543.db2.gz GOLYSGZRTFICCB-OAHLLOKOSA-N 1 0 390.531 -0.205 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000269918090 530226698 /nfs/dbraw/zinc/22/66/98/530226698.db2.gz PFXMISPXNQQAKN-HNNXBMFYSA-N 1 0 391.515 -0.189 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000269918092 530226569 /nfs/dbraw/zinc/22/65/69/530226569.db2.gz PFXMISPXNQQAKN-OAHLLOKOSA-N 1 0 391.515 -0.189 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269943015 530226561 /nfs/dbraw/zinc/22/65/61/530226561.db2.gz UHYRSGNOHRBZQS-ABAIWWIYSA-N 1 0 375.495 -0.867 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269943016 530226578 /nfs/dbraw/zinc/22/65/78/530226578.db2.gz UHYRSGNOHRBZQS-IAQYHMDHSA-N 1 0 375.495 -0.867 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269943017 530227050 /nfs/dbraw/zinc/22/70/50/530227050.db2.gz UHYRSGNOHRBZQS-NHYWBVRUSA-N 1 0 375.495 -0.867 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269943018 530227049 /nfs/dbraw/zinc/22/70/49/530227049.db2.gz UHYRSGNOHRBZQS-XHDPSFHLSA-N 1 0 375.495 -0.867 20 0 GBADRO CN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000269953725 530227030 /nfs/dbraw/zinc/22/70/30/530227030.db2.gz YUMGMWIXYKEANK-AWEZNQCLSA-N 1 0 378.520 -0.020 20 0 GBADRO CN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000269953726 530226904 /nfs/dbraw/zinc/22/69/04/530226904.db2.gz YUMGMWIXYKEANK-CQSZACIVSA-N 1 0 378.520 -0.020 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1=O ZINC000270132097 1072331949 /nfs/dbraw/zinc/33/19/49/1072331949.db2.gz SBAMBLVDJNEWIX-UHFFFAOYSA-N 1 0 396.444 -0.566 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)c(=O)n2C ZINC000270216795 1072333016 /nfs/dbraw/zinc/33/30/16/1072333016.db2.gz MDPSUOAGTUCGMV-AWEZNQCLSA-N 1 0 388.472 -0.376 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270588773 530227953 /nfs/dbraw/zinc/22/79/53/530227953.db2.gz SCCDNCIEXOGMSF-UHFFFAOYSA-N 1 0 394.519 -0.619 20 0 GBADRO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270821153 1072341531 /nfs/dbraw/zinc/34/15/31/1072341531.db2.gz IGLJEQSDYNTGBC-ROUUACIJSA-N 1 0 395.525 -0.284 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000270877430 530228300 /nfs/dbraw/zinc/22/83/00/530228300.db2.gz BZSRKTLTMLGUBG-UHFFFAOYSA-N 1 0 391.877 -0.061 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271136565 530229198 /nfs/dbraw/zinc/22/91/98/530229198.db2.gz UHXHNFADJMHRNP-AWEZNQCLSA-N 1 0 379.866 -0.205 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271136566 530229250 /nfs/dbraw/zinc/22/92/50/530229250.db2.gz UHXHNFADJMHRNP-CQSZACIVSA-N 1 0 379.866 -0.205 20 0 GBADRO COCC[NH2+]CCNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000271160794 530228990 /nfs/dbraw/zinc/22/89/90/530228990.db2.gz RYBNQEQIQGGOHX-UHFFFAOYSA-N 1 0 391.515 -0.202 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000271387245 1073239086 /nfs/dbraw/zinc/23/90/86/1073239086.db2.gz YIPYKIYCIALWRW-UHFFFAOYSA-N 1 0 390.444 -0.454 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000271654186 530230030 /nfs/dbraw/zinc/23/00/30/530230030.db2.gz NBVZMUAPVARJHC-UHFFFAOYSA-N 1 0 389.250 -0.219 20 0 GBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000271708401 1072359513 /nfs/dbraw/zinc/35/95/13/1072359513.db2.gz XJLSAXHTJVXAJL-UHFFFAOYSA-N 1 0 385.442 -0.117 20 0 GBADRO CCOC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000271710036 1072359577 /nfs/dbraw/zinc/35/95/77/1072359577.db2.gz XQILXSKXWXXYAW-CYBMUJFWSA-N 1 0 379.461 -0.108 20 0 GBADRO CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000271710037 1072359629 /nfs/dbraw/zinc/35/96/29/1072359629.db2.gz XQILXSKXWXXYAW-ZDUSSCGKSA-N 1 0 379.461 -0.108 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c(OCC[NH+](C)C)c1 ZINC000271711041 1072359849 /nfs/dbraw/zinc/35/98/49/1072359849.db2.gz MSVQLOZWHODOOH-UHFFFAOYSA-N 1 0 379.417 -0.425 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C(=O)OC)n(C)c3)C2)CC1 ZINC000271711495 1072359658 /nfs/dbraw/zinc/35/96/58/1072359658.db2.gz XUXHWQNBJKENCU-HNNXBMFYSA-N 1 0 391.472 -0.011 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C(=O)OC)n(C)c3)C2)CC1 ZINC000271711496 1072359485 /nfs/dbraw/zinc/35/94/85/1072359485.db2.gz XUXHWQNBJKENCU-OAHLLOKOSA-N 1 0 391.472 -0.011 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000271712097 1072359836 /nfs/dbraw/zinc/35/98/36/1072359836.db2.gz VZMCXSWYDGAORQ-UHFFFAOYSA-N 1 0 393.492 -0.368 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3(C)OCCO3)ccc2oc1=O ZINC000271749304 1072361375 /nfs/dbraw/zinc/36/13/75/1072361375.db2.gz HCJVFFIQJGZKDR-UHFFFAOYSA-N 1 0 392.412 -0.026 20 0 GBADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000271753515 1072361479 /nfs/dbraw/zinc/36/14/79/1072361479.db2.gz RXRUNQIUSPWSFQ-GDBMZVCRSA-N 1 0 396.513 -0.082 20 0 GBADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000271753517 1072361505 /nfs/dbraw/zinc/36/15/05/1072361505.db2.gz RXRUNQIUSPWSFQ-GOEBONIOSA-N 1 0 396.513 -0.082 20 0 GBADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000271753520 1072361460 /nfs/dbraw/zinc/36/14/60/1072361460.db2.gz RXRUNQIUSPWSFQ-HOCLYGCPSA-N 1 0 396.513 -0.082 20 0 GBADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000271753522 1072361643 /nfs/dbraw/zinc/36/16/43/1072361643.db2.gz RXRUNQIUSPWSFQ-ZBFHGGJFSA-N 1 0 396.513 -0.082 20 0 GBADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000271759722 1072361435 /nfs/dbraw/zinc/36/14/35/1072361435.db2.gz MCNZVZIAMMUARM-UHFFFAOYSA-N 1 0 393.492 -0.367 20 0 GBADRO COC(=O)CC[N@@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000271762934 1072361583 /nfs/dbraw/zinc/36/15/83/1072361583.db2.gz PDHFPSWDGRWSJU-LLVKDONJSA-N 1 0 378.433 -0.971 20 0 GBADRO COC(=O)CC[N@@H+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000271762937 1072361530 /nfs/dbraw/zinc/36/15/30/1072361530.db2.gz PDHFPSWDGRWSJU-NSHDSACASA-N 1 0 378.433 -0.971 20 0 GBADRO C[N@H+]1CC=C(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000271766160 1072361356 /nfs/dbraw/zinc/36/13/56/1072361356.db2.gz AVJJPCKKXLRUJY-UHFFFAOYSA-N 1 0 392.481 -0.201 20 0 GBADRO C[C@H](CC(N)=O)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271818021 530230561 /nfs/dbraw/zinc/23/05/61/530230561.db2.gz ZEAQXAAKURCOOX-LLVKDONJSA-N 1 0 393.487 -0.356 20 0 GBADRO C[C@@H](CC(N)=O)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271818026 530230508 /nfs/dbraw/zinc/23/05/08/530230508.db2.gz ZEAQXAAKURCOOX-NSHDSACASA-N 1 0 393.487 -0.356 20 0 GBADRO NC(=O)NC(=O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000271821763 1072363199 /nfs/dbraw/zinc/36/31/99/1072363199.db2.gz ZMZRKJWHGYMFJO-UHFFFAOYSA-N 1 0 393.469 -0.125 20 0 GBADRO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000271831336 1072363363 /nfs/dbraw/zinc/36/33/63/1072363363.db2.gz JKAQPJDEKWDNNO-HNNXBMFYSA-N 1 0 376.461 -0.314 20 0 GBADRO CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000271831338 1072363157 /nfs/dbraw/zinc/36/31/57/1072363157.db2.gz JKAQPJDEKWDNNO-OAHLLOKOSA-N 1 0 376.461 -0.314 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000271834420 1072364005 /nfs/dbraw/zinc/36/40/05/1072364005.db2.gz XKIDUOMXTXJKBF-UHFFFAOYSA-N 1 0 393.492 -0.368 20 0 GBADRO C[NH+](C)CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271835630 530230433 /nfs/dbraw/zinc/23/04/33/530230433.db2.gz JUTYGZJMHYWIOZ-UHFFFAOYSA-N 1 0 393.487 -0.531 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CCOCC3)cn2)CC1 ZINC000271875315 1072365099 /nfs/dbraw/zinc/36/50/99/1072365099.db2.gz HEMVPOZHAHGFAH-UHFFFAOYSA-N 1 0 376.461 -0.509 20 0 GBADRO C[N@H+]1CC=C(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000271884156 1072364998 /nfs/dbraw/zinc/36/49/98/1072364998.db2.gz NNTSBFGCBAAGHM-UHFFFAOYSA-N 1 0 392.481 -0.201 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1=CC[N@H+](C)CC1)CC2 ZINC000271897425 1072365260 /nfs/dbraw/zinc/36/52/60/1072365260.db2.gz OEFTUJRZDWBGSD-UHFFFAOYSA-N 1 0 392.481 -0.138 20 0 GBADRO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000271905931 1072366121 /nfs/dbraw/zinc/36/61/21/1072366121.db2.gz ZCULJKBHXBSINC-AWEZNQCLSA-N 1 0 389.456 -0.603 20 0 GBADRO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000271905933 1072366340 /nfs/dbraw/zinc/36/63/40/1072366340.db2.gz ZCULJKBHXBSINC-CQSZACIVSA-N 1 0 389.456 -0.603 20 0 GBADRO Cn1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)n(C)c1=O ZINC000271913183 1072365754 /nfs/dbraw/zinc/36/57/54/1072365754.db2.gz BMZPPXWVFKGXKG-UHFFFAOYSA-N 1 0 394.457 -0.968 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000271951509 1072366857 /nfs/dbraw/zinc/36/68/57/1072366857.db2.gz KKFSMJNKGQQTRT-UHFFFAOYSA-N 1 0 376.461 -0.509 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC(=O)N2CCOCC2)c1 ZINC000271956174 1072367090 /nfs/dbraw/zinc/36/70/90/1072367090.db2.gz KXSXJXVVBREISY-UHFFFAOYSA-N 1 0 391.472 -0.364 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCN1S(C)(=O)=O ZINC000271956759 1072366814 /nfs/dbraw/zinc/36/68/14/1072366814.db2.gz BZRRNLMPKQNYFU-LBPRGKRZSA-N 1 0 392.441 -0.302 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NCC(=O)N3CCOCC3)ccn2)CC1 ZINC000272003126 1072368715 /nfs/dbraw/zinc/36/87/15/1072368715.db2.gz SCLMFSHJPWFTOD-UHFFFAOYSA-N 1 0 376.461 -0.509 20 0 GBADRO COC(=O)CC1([NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)CCOCC1 ZINC000272039573 1072369080 /nfs/dbraw/zinc/36/90/80/1072369080.db2.gz FOBPKTRALSEVMU-UHFFFAOYSA-N 1 0 379.417 -0.864 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000272058092 1072370266 /nfs/dbraw/zinc/37/02/66/1072370266.db2.gz NBGQCXDUBUHGKT-UHFFFAOYSA-N 1 0 392.456 -0.151 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000272075480 1072370876 /nfs/dbraw/zinc/37/08/76/1072370876.db2.gz QBSWMWPWMNKVLB-UHFFFAOYSA-N 1 0 378.429 -0.460 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202402 1072373749 /nfs/dbraw/zinc/37/37/49/1072373749.db2.gz FJFNYCYZNSXWBC-GXSJLCMTSA-N 1 0 375.351 -0.179 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202407 1072373881 /nfs/dbraw/zinc/37/38/81/1072373881.db2.gz FJFNYCYZNSXWBC-KOLCDFICSA-N 1 0 375.351 -0.179 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202412 1072374045 /nfs/dbraw/zinc/37/40/45/1072374045.db2.gz FJFNYCYZNSXWBC-MWLCHTKSSA-N 1 0 375.351 -0.179 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)c2c(=O)n(C)c1=O ZINC000272202417 1072374090 /nfs/dbraw/zinc/37/40/90/1072374090.db2.gz FJFNYCYZNSXWBC-ONGXEEELSA-N 1 0 375.351 -0.179 20 0 GBADRO CC[NH+](CC)CCN(CCOC)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000272225118 1072373772 /nfs/dbraw/zinc/37/37/72/1072373772.db2.gz IDWFBZKQTAPFFD-UHFFFAOYSA-N 1 0 380.493 -0.276 20 0 GBADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n(C)c1 ZINC000272227979 1072373910 /nfs/dbraw/zinc/37/39/10/1072373910.db2.gz JJXRHUDAJGGVNF-UHFFFAOYSA-N 1 0 385.490 -0.879 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000272291822 1072376037 /nfs/dbraw/zinc/37/60/37/1072376037.db2.gz PPIPHPXCVBALKU-AVGNSLFASA-N 1 0 380.470 -0.117 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000272293160 1072376335 /nfs/dbraw/zinc/37/63/35/1072376335.db2.gz PPIPHPXCVBALKU-RWMBFGLXSA-N 1 0 380.470 -0.117 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000272293164 1072376045 /nfs/dbraw/zinc/37/60/45/1072376045.db2.gz PPIPHPXCVBALKU-XQQFMLRXSA-N 1 0 380.470 -0.117 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 ZINC000272293167 1072376253 /nfs/dbraw/zinc/37/62/53/1072376253.db2.gz PPIPHPXCVBALKU-YNEHKIRRSA-N 1 0 380.470 -0.117 20 0 GBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000272293773 1072375553 /nfs/dbraw/zinc/37/55/53/1072375553.db2.gz FUOZWTFSFGTCMV-HZMBPMFUSA-N 1 0 384.433 -0.036 20 0 GBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000272294860 1072375867 /nfs/dbraw/zinc/37/58/67/1072375867.db2.gz FUOZWTFSFGTCMV-IINYFYTJSA-N 1 0 384.433 -0.036 20 0 GBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000272294866 1072375812 /nfs/dbraw/zinc/37/58/12/1072375812.db2.gz FUOZWTFSFGTCMV-QMTHXVAHSA-N 1 0 384.433 -0.036 20 0 GBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)[C@H]2C1 ZINC000272294870 1072376006 /nfs/dbraw/zinc/37/60/06/1072376006.db2.gz FUOZWTFSFGTCMV-YGRLFVJLSA-N 1 0 384.433 -0.036 20 0 GBADRO COC(=O)CC[N@@H+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 ZINC000272303175 1072375572 /nfs/dbraw/zinc/37/55/72/1072375572.db2.gz UUSMUOIKWQHATP-CYBMUJFWSA-N 1 0 392.460 -0.997 20 0 GBADRO COC(=O)CC[N@@H+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000272303188 1072375953 /nfs/dbraw/zinc/37/59/53/1072375953.db2.gz UUSMUOIKWQHATP-ZDUSSCGKSA-N 1 0 392.460 -0.997 20 0 GBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000272320248 1072375611 /nfs/dbraw/zinc/37/56/11/1072375611.db2.gz KZXMOJBDLWQIDA-DZGCQCFKSA-N 1 0 386.456 -0.491 20 0 GBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@H]2C1 ZINC000272320254 1072375539 /nfs/dbraw/zinc/37/55/39/1072375539.db2.gz KZXMOJBDLWQIDA-HIFRSBDPSA-N 1 0 386.456 -0.491 20 0 GBADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@@H]2C1 ZINC000272320258 1072376605 /nfs/dbraw/zinc/37/66/05/1072376605.db2.gz KZXMOJBDLWQIDA-UKRRQHHQSA-N 1 0 386.456 -0.491 20 0 GBADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)[C@H]2C1 ZINC000272320263 1072376949 /nfs/dbraw/zinc/37/69/49/1072376949.db2.gz KZXMOJBDLWQIDA-ZFWWWQNUSA-N 1 0 386.456 -0.491 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1=O ZINC000272326843 1072376915 /nfs/dbraw/zinc/37/69/15/1072376915.db2.gz MBJDTMDKQBYELJ-DZGCQCFKSA-N 1 0 390.440 -0.098 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1=O ZINC000272326846 1072376990 /nfs/dbraw/zinc/37/69/90/1072376990.db2.gz MBJDTMDKQBYELJ-HIFRSBDPSA-N 1 0 390.440 -0.098 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1=O ZINC000272326849 1072377104 /nfs/dbraw/zinc/37/71/04/1072377104.db2.gz MBJDTMDKQBYELJ-UKRRQHHQSA-N 1 0 390.440 -0.098 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1=O ZINC000272326851 1072377014 /nfs/dbraw/zinc/37/70/14/1072377014.db2.gz MBJDTMDKQBYELJ-ZFWWWQNUSA-N 1 0 390.440 -0.098 20 0 GBADRO Cn1cnn(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1=O ZINC000272339595 1072377391 /nfs/dbraw/zinc/37/73/91/1072377391.db2.gz PAHLSXBJLYCSDN-UHFFFAOYSA-N 1 0 388.472 -0.129 20 0 GBADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000272344838 1072377330 /nfs/dbraw/zinc/37/73/30/1072377330.db2.gz ABFCJTAYAVIAKF-CXAGYDPISA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000272344842 1072377220 /nfs/dbraw/zinc/37/72/20/1072377220.db2.gz ABFCJTAYAVIAKF-DYVFJYSZSA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000272344848 1072377187 /nfs/dbraw/zinc/37/71/87/1072377187.db2.gz ABFCJTAYAVIAKF-GUYCJALGSA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000272344852 1072377300 /nfs/dbraw/zinc/37/73/00/1072377300.db2.gz ABFCJTAYAVIAKF-SUMWQHHRSA-N 1 0 390.484 -0.130 20 0 GBADRO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n(C)c1 ZINC000272349634 1072378062 /nfs/dbraw/zinc/37/80/62/1072378062.db2.gz QNLSNZGYJPVBRJ-CYBMUJFWSA-N 1 0 385.490 -0.655 20 0 GBADRO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n(C)c1 ZINC000272349637 1072378140 /nfs/dbraw/zinc/37/81/40/1072378140.db2.gz QNLSNZGYJPVBRJ-ZDUSSCGKSA-N 1 0 385.490 -0.655 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](C)O)cc1 ZINC000272354040 1072377843 /nfs/dbraw/zinc/37/78/43/1072377843.db2.gz BEWQSUVSKXOSDN-INMHGKMJSA-N 1 0 398.529 -0.615 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](C)O)cc1 ZINC000272354043 1072377865 /nfs/dbraw/zinc/37/78/65/1072377865.db2.gz BEWQSUVSKXOSDN-UXLLHSPISA-N 1 0 398.529 -0.615 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](C)O)cc1 ZINC000272354047 1072378185 /nfs/dbraw/zinc/37/81/85/1072378185.db2.gz BEWQSUVSKXOSDN-VYDXJSESSA-N 1 0 398.529 -0.615 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](C)O)cc1 ZINC000272354050 1072377745 /nfs/dbraw/zinc/37/77/45/1072377745.db2.gz BEWQSUVSKXOSDN-ZOBUZTSGSA-N 1 0 398.529 -0.615 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)[C@@H](C)O)cc1 ZINC000272371763 1072378697 /nfs/dbraw/zinc/37/86/97/1072378697.db2.gz DMCQNEOSBYVVPT-INMHGKMJSA-N 1 0 399.513 -0.188 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)[C@H](C)O)cc1 ZINC000272371768 1072378888 /nfs/dbraw/zinc/37/88/88/1072378888.db2.gz DMCQNEOSBYVVPT-UXLLHSPISA-N 1 0 399.513 -0.188 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[C@@H](C)O)cc1 ZINC000272371771 1072378527 /nfs/dbraw/zinc/37/85/27/1072378527.db2.gz DMCQNEOSBYVVPT-VYDXJSESSA-N 1 0 399.513 -0.188 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[C@H](C)O)cc1 ZINC000272371774 1072378550 /nfs/dbraw/zinc/37/85/50/1072378550.db2.gz DMCQNEOSBYVVPT-ZOBUZTSGSA-N 1 0 399.513 -0.188 20 0 GBADRO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000272383572 1072379271 /nfs/dbraw/zinc/37/92/71/1072379271.db2.gz FZLHEGMRVCMUHQ-CXAGYDPISA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000272383575 1072379055 /nfs/dbraw/zinc/37/90/55/1072379055.db2.gz FZLHEGMRVCMUHQ-DYVFJYSZSA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000272383579 1072378744 /nfs/dbraw/zinc/37/87/44/1072378744.db2.gz FZLHEGMRVCMUHQ-GUYCJALGSA-N 1 0 390.484 -0.130 20 0 GBADRO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000272383583 1072378861 /nfs/dbraw/zinc/37/88/61/1072378861.db2.gz FZLHEGMRVCMUHQ-SUMWQHHRSA-N 1 0 390.484 -0.130 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCNC(=O)c3ccn[nH]3)cn2)CC1 ZINC000272394060 1072379676 /nfs/dbraw/zinc/37/96/76/1072379676.db2.gz IWVZQSQQFRQWRJ-UHFFFAOYSA-N 1 0 386.460 -0.214 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272421936 1072379620 /nfs/dbraw/zinc/37/96/20/1072379620.db2.gz DMACYRUJXZQOIS-AWEZNQCLSA-N 1 0 379.465 -0.619 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272421940 1072379558 /nfs/dbraw/zinc/37/95/58/1072379558.db2.gz DMACYRUJXZQOIS-CQSZACIVSA-N 1 0 379.465 -0.619 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272424890 1072380717 /nfs/dbraw/zinc/38/07/17/1072380717.db2.gz KOBNKRCTCXUAGC-CVEARBPZSA-N 1 0 392.481 -0.077 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272424892 1072380784 /nfs/dbraw/zinc/38/07/84/1072380784.db2.gz KOBNKRCTCXUAGC-HOTGVXAUSA-N 1 0 392.481 -0.077 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272424894 1072380971 /nfs/dbraw/zinc/38/09/71/1072380971.db2.gz KOBNKRCTCXUAGC-HZPDHXFCSA-N 1 0 392.481 -0.077 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272424897 1072381045 /nfs/dbraw/zinc/38/10/45/1072381045.db2.gz KOBNKRCTCXUAGC-JKSUJKDBSA-N 1 0 392.481 -0.077 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000272461589 1072381681 /nfs/dbraw/zinc/38/16/81/1072381681.db2.gz HIGHMYRUFMEOAA-UHFFFAOYSA-N 1 0 385.490 -0.372 20 0 GBADRO Cn1c2ncn(CCC(=O)NCC3(C)CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000272476727 1072382926 /nfs/dbraw/zinc/38/29/26/1072382926.db2.gz ANGAKCSFCFTQNB-UHFFFAOYSA-N 1 0 376.461 -0.328 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NCCNC(=O)c3ccn[nH]3)ccn2)CC1 ZINC000272483646 1072382804 /nfs/dbraw/zinc/38/28/04/1072382804.db2.gz ZDWVRMZZNFISCL-UHFFFAOYSA-N 1 0 386.460 -0.214 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)C1 ZINC000272524817 1072383467 /nfs/dbraw/zinc/38/34/67/1072383467.db2.gz WDVIOOGLKCPTSY-HLLBOEOZSA-N 1 0 399.513 -0.140 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)C1 ZINC000272524820 1072383576 /nfs/dbraw/zinc/38/35/76/1072383576.db2.gz WDVIOOGLKCPTSY-VYDXJSESSA-N 1 0 399.513 -0.140 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)C1 ZINC000272524822 1072383356 /nfs/dbraw/zinc/38/33/56/1072383356.db2.gz WDVIOOGLKCPTSY-YQQAZPJKSA-N 1 0 399.513 -0.140 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)C1 ZINC000272524826 1072383764 /nfs/dbraw/zinc/38/37/64/1072383764.db2.gz WDVIOOGLKCPTSY-ZOBUZTSGSA-N 1 0 399.513 -0.140 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@H](C)C[NH2+]1 ZINC000272530927 1072383831 /nfs/dbraw/zinc/38/38/31/1072383831.db2.gz IMCSJCISMAIMTO-CHWSQXEVSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@@H](C)C[NH2+]1 ZINC000272530931 1072383746 /nfs/dbraw/zinc/38/37/46/1072383746.db2.gz IMCSJCISMAIMTO-OLZOCXBDSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000272530936 1072383446 /nfs/dbraw/zinc/38/34/46/1072383446.db2.gz IMCSJCISMAIMTO-QWHCGFSZSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@@H](C)C[NH2+]1 ZINC000272530940 1072383404 /nfs/dbraw/zinc/38/34/04/1072383404.db2.gz IMCSJCISMAIMTO-STQMWFEESA-N 1 0 380.470 -0.371 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000272532200 1072383502 /nfs/dbraw/zinc/38/35/02/1072383502.db2.gz WYGWFMSAIJLFDB-GDBMZVCRSA-N 1 0 387.502 -0.283 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000272532202 1072383948 /nfs/dbraw/zinc/38/39/48/1072383948.db2.gz WYGWFMSAIJLFDB-GOEBONIOSA-N 1 0 387.502 -0.283 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000272532203 1072383554 /nfs/dbraw/zinc/38/35/54/1072383554.db2.gz WYGWFMSAIJLFDB-HOCLYGCPSA-N 1 0 387.502 -0.283 20 0 GBADRO COCC[N@H+](C)CCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000272532204 1072383480 /nfs/dbraw/zinc/38/34/80/1072383480.db2.gz WYGWFMSAIJLFDB-ZBFHGGJFSA-N 1 0 387.502 -0.283 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000272549838 1072384389 /nfs/dbraw/zinc/38/43/89/1072384389.db2.gz NGBUGXSWCSHDIR-UHFFFAOYSA-N 1 0 375.429 -0.310 20 0 GBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000272550013 1072384590 /nfs/dbraw/zinc/38/45/90/1072384590.db2.gz NGXYLJCNTVWQOJ-AWEZNQCLSA-N 1 0 388.472 -0.253 20 0 GBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000272550021 1072384569 /nfs/dbraw/zinc/38/45/69/1072384569.db2.gz NGXYLJCNTVWQOJ-CQSZACIVSA-N 1 0 388.472 -0.253 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC000272558579 1072385498 /nfs/dbraw/zinc/38/54/98/1072385498.db2.gz NFEYFEIQQZYIPM-UHFFFAOYSA-N 1 0 395.489 -0.078 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCCOCCO)c2)CC1 ZINC000272565288 1072385120 /nfs/dbraw/zinc/38/51/20/1072385120.db2.gz JETRSBBWDCRICW-UHFFFAOYSA-N 1 0 378.473 -0.112 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](C)O)cc1 ZINC000272586128 1072385107 /nfs/dbraw/zinc/38/51/07/1072385107.db2.gz FMOHPWMPSMILDC-JLJPHGGASA-N 1 0 387.502 -0.548 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](C)O)cc1 ZINC000272586130 1072385368 /nfs/dbraw/zinc/38/53/68/1072385368.db2.gz FMOHPWMPSMILDC-KMFMINBZSA-N 1 0 387.502 -0.548 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](C)O)cc1 ZINC000272586132 1072385591 /nfs/dbraw/zinc/38/55/91/1072385591.db2.gz FMOHPWMPSMILDC-QRTARXTBSA-N 1 0 387.502 -0.548 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](C)O)cc1 ZINC000272586134 1072385472 /nfs/dbraw/zinc/38/54/72/1072385472.db2.gz FMOHPWMPSMILDC-UKPHBRMFSA-N 1 0 387.502 -0.548 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000272600899 1072386429 /nfs/dbraw/zinc/38/64/29/1072386429.db2.gz UCQWFIJLMFDEDK-UHFFFAOYSA-N 1 0 390.444 -0.868 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@@H](C)C[NH2+]1 ZINC000272608418 1072386122 /nfs/dbraw/zinc/38/61/22/1072386122.db2.gz RYVYPQCROBEWLM-AGIUHOORSA-N 1 0 380.470 -0.104 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@@H](C)C[NH2+]1 ZINC000272608422 1072386401 /nfs/dbraw/zinc/38/64/01/1072386401.db2.gz RYVYPQCROBEWLM-FRRDWIJNSA-N 1 0 380.470 -0.104 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@H](C)C[NH2+]1 ZINC000272608424 1072386458 /nfs/dbraw/zinc/38/64/58/1072386458.db2.gz RYVYPQCROBEWLM-JHJVBQTASA-N 1 0 380.470 -0.104 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[C@H](C)C[NH2+]1 ZINC000272608427 1072386269 /nfs/dbraw/zinc/38/62/69/1072386269.db2.gz RYVYPQCROBEWLM-UPJWGTAASA-N 1 0 380.470 -0.104 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)NCCNC(=O)c2ccn[nH]2)ccn1 ZINC000272620210 1072386476 /nfs/dbraw/zinc/38/64/76/1072386476.db2.gz XBYMWFDRUPHUBF-UHFFFAOYSA-N 1 0 375.433 -0.026 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272646311 1072387150 /nfs/dbraw/zinc/38/71/50/1072387150.db2.gz JHNROOJVYSGMSQ-AWEZNQCLSA-N 1 0 377.449 -0.913 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272646320 1072387921 /nfs/dbraw/zinc/38/79/21/1072387921.db2.gz JHNROOJVYSGMSQ-CQSZACIVSA-N 1 0 377.449 -0.913 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000272652664 1072387748 /nfs/dbraw/zinc/38/77/48/1072387748.db2.gz ATVCLDAFPOUHFF-UHFFFAOYSA-N 1 0 389.500 -0.126 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000272666059 1072388824 /nfs/dbraw/zinc/38/88/24/1072388824.db2.gz JKQAIYFEMBOLLX-UHFFFAOYSA-N 1 0 388.428 -0.165 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272678546 1072389755 /nfs/dbraw/zinc/38/97/55/1072389755.db2.gz RNQQQWLTPYFYIG-UHFFFAOYSA-N 1 0 379.465 -0.665 20 0 GBADRO C[NH+](C)CCOc1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccn1 ZINC000272689573 1072390555 /nfs/dbraw/zinc/39/05/55/1072390555.db2.gz PCPCKOQQTWMLOM-UHFFFAOYSA-N 1 0 385.490 -0.932 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000272697706 1072390544 /nfs/dbraw/zinc/39/05/44/1072390544.db2.gz VPHCWFBEVKJGQI-GDBMZVCRSA-N 1 0 399.513 -0.404 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000272697711 1072390336 /nfs/dbraw/zinc/39/03/36/1072390336.db2.gz VPHCWFBEVKJGQI-GOEBONIOSA-N 1 0 399.513 -0.404 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000272697715 1072390341 /nfs/dbraw/zinc/39/03/41/1072390341.db2.gz VPHCWFBEVKJGQI-HOCLYGCPSA-N 1 0 399.513 -0.404 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000272697719 1072390580 /nfs/dbraw/zinc/39/05/80/1072390580.db2.gz VPHCWFBEVKJGQI-ZBFHGGJFSA-N 1 0 399.513 -0.404 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000272732465 1072392060 /nfs/dbraw/zinc/39/20/60/1072392060.db2.gz BVPCJXOHBDHENM-UHFFFAOYSA-N 1 0 389.500 -0.126 20 0 GBADRO CS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272739584 1072392648 /nfs/dbraw/zinc/39/26/48/1072392648.db2.gz KUCKCOBASJVROZ-INIZCTEOSA-N 1 0 384.502 -0.008 20 0 GBADRO CS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272739587 1072392783 /nfs/dbraw/zinc/39/27/83/1072392783.db2.gz KUCKCOBASJVROZ-MRXNPFEDSA-N 1 0 384.502 -0.008 20 0 GBADRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000272742541 1072392492 /nfs/dbraw/zinc/39/24/92/1072392492.db2.gz BFQFBIZUCWYBSC-GOSISDBHSA-N 1 0 397.428 -0.142 20 0 GBADRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000272742544 1072392776 /nfs/dbraw/zinc/39/27/76/1072392776.db2.gz BFQFBIZUCWYBSC-SFHVURJKSA-N 1 0 397.428 -0.142 20 0 GBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCC[NH+](C)C ZINC000272745101 1072392506 /nfs/dbraw/zinc/39/25/06/1072392506.db2.gz BNTGESHIWPRHBC-UHFFFAOYSA-N 1 0 378.429 -0.074 20 0 GBADRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cccnc1 ZINC000272745836 1072392949 /nfs/dbraw/zinc/39/29/49/1072392949.db2.gz NNOVMYKYKZHUJJ-INIZCTEOSA-N 1 0 375.473 -0.265 20 0 GBADRO O=C(NCCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272752772 1072392541 /nfs/dbraw/zinc/39/25/41/1072392541.db2.gz JDPOADMAVBPFNZ-INIZCTEOSA-N 1 0 389.456 -0.006 20 0 GBADRO O=C(NCCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272752776 1072393878 /nfs/dbraw/zinc/39/38/78/1072393878.db2.gz JDPOADMAVBPFNZ-MRXNPFEDSA-N 1 0 389.456 -0.006 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272756877 1072393865 /nfs/dbraw/zinc/39/38/65/1072393865.db2.gz JZWKLTRGEDPOAI-INIZCTEOSA-N 1 0 384.502 -0.008 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272756880 1072393316 /nfs/dbraw/zinc/39/33/16/1072393316.db2.gz JZWKLTRGEDPOAI-MRXNPFEDSA-N 1 0 384.502 -0.008 20 0 GBADRO CCN1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C(=O)C1=O ZINC000272763220 1072393362 /nfs/dbraw/zinc/39/33/62/1072393362.db2.gz GFSDQTCANHUTKM-KRWDZBQOSA-N 1 0 388.468 -0.440 20 0 GBADRO CCN1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C(=O)C1=O ZINC000272763223 1072393705 /nfs/dbraw/zinc/39/37/05/1072393705.db2.gz GFSDQTCANHUTKM-QGZVFWFLSA-N 1 0 388.468 -0.440 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000272764292 1072393524 /nfs/dbraw/zinc/39/35/24/1072393524.db2.gz LDLSPPANYDPBGQ-HNNXBMFYSA-N 1 0 376.461 -0.510 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000272764299 1072393821 /nfs/dbraw/zinc/39/38/21/1072393821.db2.gz LDLSPPANYDPBGQ-OAHLLOKOSA-N 1 0 376.461 -0.510 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000272772244 1072394724 /nfs/dbraw/zinc/39/47/24/1072394724.db2.gz HMLDKQAINHSLOE-HNNXBMFYSA-N 1 0 378.429 -0.461 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000272772246 1072394580 /nfs/dbraw/zinc/39/45/80/1072394580.db2.gz HMLDKQAINHSLOE-OAHLLOKOSA-N 1 0 378.429 -0.461 20 0 GBADRO O=C(NCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272772362 1072394624 /nfs/dbraw/zinc/39/46/24/1072394624.db2.gz MTFCIHKSRTXBGT-HNNXBMFYSA-N 1 0 375.429 -0.396 20 0 GBADRO O=C(NCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272772365 1072394366 /nfs/dbraw/zinc/39/43/66/1072394366.db2.gz 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O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272778725 1072395551 /nfs/dbraw/zinc/39/55/51/1072395551.db2.gz IIDNVXSXCNCALI-QGZVFWFLSA-N 1 0 381.498 -0.400 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000272790920 1072395207 /nfs/dbraw/zinc/39/52/07/1072395207.db2.gz PSGQRJDYBBTXAB-DLBZAZTESA-N 1 0 376.457 -0.090 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000272790922 1072395527 /nfs/dbraw/zinc/39/55/27/1072395527.db2.gz PSGQRJDYBBTXAB-IAGOWNOFSA-N 1 0 376.457 -0.090 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000272790924 1072395021 /nfs/dbraw/zinc/39/50/21/1072395021.db2.gz PSGQRJDYBBTXAB-IRXDYDNUSA-N 1 0 376.457 -0.090 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000272790926 1072395295 /nfs/dbraw/zinc/39/52/95/1072395295.db2.gz PSGQRJDYBBTXAB-SJORKVTESA-N 1 0 376.457 -0.090 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000272791291 1072396351 /nfs/dbraw/zinc/39/63/51/1072396351.db2.gz CJEWRIGJVGNLKY-UHFFFAOYSA-N 1 0 387.484 -0.189 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000272792673 1072396446 /nfs/dbraw/zinc/39/64/46/1072396446.db2.gz PVUFQNMXUQJXRB-GOSISDBHSA-N 1 0 389.500 -0.039 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000272792675 1072396265 /nfs/dbraw/zinc/39/62/65/1072396265.db2.gz PVUFQNMXUQJXRB-SFHVURJKSA-N 1 0 389.500 -0.039 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000272803199 1072396059 /nfs/dbraw/zinc/39/60/59/1072396059.db2.gz AUFMBAIOUBBEBA-UHFFFAOYSA-N 1 0 377.449 -0.561 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000272805694 1072396252 /nfs/dbraw/zinc/39/62/52/1072396252.db2.gz RVJCDFXREUPCCQ-INIZCTEOSA-N 1 0 391.472 -0.366 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCO1 ZINC000272805696 1072396112 /nfs/dbraw/zinc/39/61/12/1072396112.db2.gz RVJCDFXREUPCCQ-MRXNPFEDSA-N 1 0 391.472 -0.366 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cncnc2OC)CC1 ZINC000272817197 1072397143 /nfs/dbraw/zinc/39/71/43/1072397143.db2.gz COFATXPONPIYAU-UHFFFAOYSA-N 1 0 378.433 -0.564 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000272823393 1072398146 /nfs/dbraw/zinc/39/81/46/1072398146.db2.gz NLSOWKVZYNCOPP-INIZCTEOSA-N 1 0 392.456 -0.153 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000272823396 1072398052 /nfs/dbraw/zinc/39/80/52/1072398052.db2.gz NLSOWKVZYNCOPP-MRXNPFEDSA-N 1 0 392.456 -0.153 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)CC1=O ZINC000272825012 1072398181 /nfs/dbraw/zinc/39/81/81/1072398181.db2.gz NPTWVGYCWHXLSJ-KBPBESRZSA-N 1 0 376.461 -0.412 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)CC1=O ZINC000272825017 1072398169 /nfs/dbraw/zinc/39/81/69/1072398169.db2.gz NPTWVGYCWHXLSJ-KGLIPLIRSA-N 1 0 376.461 -0.412 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNC(=O)c2ccn[nH]2)CC1=O ZINC000272825020 1072397914 /nfs/dbraw/zinc/39/79/14/1072397914.db2.gz NPTWVGYCWHXLSJ-UONOGXRCSA-N 1 0 376.461 -0.412 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNC(=O)c2ccn[nH]2)CC1=O ZINC000272825025 1072398154 /nfs/dbraw/zinc/39/81/54/1072398154.db2.gz NPTWVGYCWHXLSJ-ZIAGYGMSSA-N 1 0 376.461 -0.412 20 0 GBADRO O=C(CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000272828561 1072398130 /nfs/dbraw/zinc/39/81/30/1072398130.db2.gz WFAWNULUKXHSCK-KRWDZBQOSA-N 1 0 376.457 -0.089 20 0 GBADRO O=C(CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000272828562 1072397993 /nfs/dbraw/zinc/39/79/93/1072397993.db2.gz WFAWNULUKXHSCK-QGZVFWFLSA-N 1 0 376.457 -0.089 20 0 GBADRO NS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000272834024 1072398998 /nfs/dbraw/zinc/39/89/98/1072398998.db2.gz OPYPMMYVIJUFQZ-KRWDZBQOSA-N 1 0 396.513 -0.215 20 0 GBADRO NS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000272834028 1072398674 /nfs/dbraw/zinc/39/86/74/1072398674.db2.gz OPYPMMYVIJUFQZ-QGZVFWFLSA-N 1 0 396.513 -0.215 20 0 GBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000272836215 1072398797 /nfs/dbraw/zinc/39/87/97/1072398797.db2.gz FWEIFYGZFWTSLG-UHFFFAOYSA-N 1 0 393.492 -0.115 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000272839451 1072398944 /nfs/dbraw/zinc/39/89/44/1072398944.db2.gz GICKAARVJMYGPG-BETUJISGSA-N 1 0 393.492 -0.165 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000272839454 1072398632 /nfs/dbraw/zinc/39/86/32/1072398632.db2.gz GICKAARVJMYGPG-CHWSQXEVSA-N 1 0 393.492 -0.165 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000272839457 1072399085 /nfs/dbraw/zinc/39/90/85/1072399085.db2.gz GICKAARVJMYGPG-STQMWFEESA-N 1 0 393.492 -0.165 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000272843732 1072399943 /nfs/dbraw/zinc/39/99/43/1072399943.db2.gz PWYARUPUFOCJBJ-INIZCTEOSA-N 1 0 386.456 -0.137 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000272843735 1072399766 /nfs/dbraw/zinc/39/97/66/1072399766.db2.gz PWYARUPUFOCJBJ-MRXNPFEDSA-N 1 0 386.456 -0.137 20 0 GBADRO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000272847390 1072399428 /nfs/dbraw/zinc/39/94/28/1072399428.db2.gz HHURONXNEIZELT-UHFFFAOYSA-N 1 0 391.476 -0.218 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272851174 1072399970 /nfs/dbraw/zinc/39/99/70/1072399970.db2.gz ZYPQMTPJUDBDTH-KRWDZBQOSA-N 1 0 375.473 -0.516 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272851179 1072399660 /nfs/dbraw/zinc/39/96/60/1072399660.db2.gz ZYPQMTPJUDBDTH-QGZVFWFLSA-N 1 0 375.473 -0.516 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272856563 1072400492 /nfs/dbraw/zinc/40/04/92/1072400492.db2.gz RJMIWJSACXLITM-KRWDZBQOSA-N 1 0 399.513 -0.175 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272856566 1072400725 /nfs/dbraw/zinc/40/07/25/1072400725.db2.gz RJMIWJSACXLITM-QGZVFWFLSA-N 1 0 399.513 -0.175 20 0 GBADRO CC(=O)NCCNC(=O)CCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272862786 1072401648 /nfs/dbraw/zinc/40/16/48/1072401648.db2.gz SDSYZJABXUXOIZ-GOSISDBHSA-N 1 0 390.484 -0.098 20 0 GBADRO CC(=O)NCCNC(=O)CCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272862792 1072401674 /nfs/dbraw/zinc/40/16/74/1072401674.db2.gz SDSYZJABXUXOIZ-SFHVURJKSA-N 1 0 390.484 -0.098 20 0 GBADRO COC(=O)c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000272866004 1072401274 /nfs/dbraw/zinc/40/12/74/1072401274.db2.gz LGUFFQIBELLPSC-AWEZNQCLSA-N 1 0 376.413 -0.132 20 0 GBADRO COC(=O)c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000272866008 1072401398 /nfs/dbraw/zinc/40/13/98/1072401398.db2.gz LGUFFQIBELLPSC-CQSZACIVSA-N 1 0 376.413 -0.132 20 0 GBADRO COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272866726 530231831 /nfs/dbraw/zinc/23/18/31/530231831.db2.gz RTQQUAXUDQRSRT-GFCCVEGCSA-N 1 0 379.504 -0.060 20 0 GBADRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272866729 530231920 /nfs/dbraw/zinc/23/19/20/530231920.db2.gz RTQQUAXUDQRSRT-LBPRGKRZSA-N 1 0 379.504 -0.060 20 0 GBADRO O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272868572 1072401309 /nfs/dbraw/zinc/40/13/09/1072401309.db2.gz UUYMCQRDLJMMJN-GOSISDBHSA-N 1 0 395.525 -0.010 20 0 GBADRO O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272868573 1072401557 /nfs/dbraw/zinc/40/15/57/1072401557.db2.gz UUYMCQRDLJMMJN-SFHVURJKSA-N 1 0 395.525 -0.010 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000272910678 1072404013 /nfs/dbraw/zinc/40/40/13/1072404013.db2.gz JKZKSBSVEYMBPN-UHFFFAOYSA-N 1 0 375.477 -0.936 20 0 GBADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ncn(CC(=O)NC)n2)C1 ZINC000272916282 1072404275 /nfs/dbraw/zinc/40/42/75/1072404275.db2.gz MDPYRHXAPIVKBK-CYBMUJFWSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ncn(CC(=O)NC)n2)C1 ZINC000272916285 1072404377 /nfs/dbraw/zinc/40/43/77/1072404377.db2.gz MDPYRHXAPIVKBK-ZDUSSCGKSA-N 1 0 393.492 -0.021 20 0 GBADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000272916524 1072404138 /nfs/dbraw/zinc/40/41/38/1072404138.db2.gz MGTNQAAGTCBCPZ-UHFFFAOYSA-N 1 0 381.481 -0.067 20 0 GBADRO Cn1cc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC000272919317 1072405517 /nfs/dbraw/zinc/40/55/17/1072405517.db2.gz ZXWSOKHCAVSZEC-DVBCCOPCSA-N 1 0 398.463 -0.020 20 0 GBADRO Cn1cc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC000272919323 1072405152 /nfs/dbraw/zinc/40/51/52/1072405152.db2.gz ZXWSOKHCAVSZEC-LKGOPFMKSA-N 1 0 398.463 -0.020 20 0 GBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000272919851 1072405489 /nfs/dbraw/zinc/40/54/89/1072405489.db2.gz MNWLZNBMGUQUHF-HZSPNIEDSA-N 1 0 393.492 -0.213 20 0 GBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000272919853 1072404964 /nfs/dbraw/zinc/40/49/64/1072404964.db2.gz MNWLZNBMGUQUHF-MCIONIFRSA-N 1 0 393.492 -0.213 20 0 GBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000272919856 1072405260 /nfs/dbraw/zinc/40/52/60/1072405260.db2.gz MNWLZNBMGUQUHF-MGPQQGTHSA-N 1 0 393.492 -0.213 20 0 GBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000272919858 1072405510 /nfs/dbraw/zinc/40/55/10/1072405510.db2.gz MNWLZNBMGUQUHF-MJBXVCDLSA-N 1 0 393.492 -0.213 20 0 GBADRO COc1ncncc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000272919963 1072405024 /nfs/dbraw/zinc/40/50/24/1072405024.db2.gz MRCDKZNAKJZBJM-CYBMUJFWSA-N 1 0 376.417 -0.811 20 0 GBADRO COc1ncncc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000272919964 1072405007 /nfs/dbraw/zinc/40/50/07/1072405007.db2.gz MRCDKZNAKJZBJM-ZDUSSCGKSA-N 1 0 376.417 -0.811 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCCN3CCNC(=O)C3)cc2)CC1 ZINC000272923231 1072405079 /nfs/dbraw/zinc/40/50/79/1072405079.db2.gz KJXDVIKDTQMOBD-UHFFFAOYSA-N 1 0 388.516 -0.335 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc2)CC1 ZINC000272928272 1072405416 /nfs/dbraw/zinc/40/54/16/1072405416.db2.gz BYSQFZNZVQIEDC-UHFFFAOYSA-N 1 0 397.501 -0.833 20 0 GBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CCNC(=O)C1 ZINC000272930295 1072406191 /nfs/dbraw/zinc/40/61/91/1072406191.db2.gz KZMVMUHEDVUQIC-UHFFFAOYSA-N 1 0 388.516 -0.070 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CC1=O ZINC000272941360 1072406153 /nfs/dbraw/zinc/40/61/53/1072406153.db2.gz PBWWZVYFZZDPSO-CVEARBPZSA-N 1 0 377.441 -0.383 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CC1=O ZINC000272941364 1072405960 /nfs/dbraw/zinc/40/59/60/1072405960.db2.gz PBWWZVYFZZDPSO-HOTGVXAUSA-N 1 0 377.441 -0.383 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)CC1=O ZINC000272941366 1072406237 /nfs/dbraw/zinc/40/62/37/1072406237.db2.gz PBWWZVYFZZDPSO-HZPDHXFCSA-N 1 0 377.441 -0.383 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)CC1=O ZINC000272941368 1072406057 /nfs/dbraw/zinc/40/60/57/1072406057.db2.gz PBWWZVYFZZDPSO-JKSUJKDBSA-N 1 0 377.441 -0.383 20 0 GBADRO O=C(NCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272942757 1072406305 /nfs/dbraw/zinc/40/63/05/1072406305.db2.gz DZPAFVXYPUHGCO-INIZCTEOSA-N 1 0 389.456 -0.006 20 0 GBADRO O=C(NCCN1C(=O)CNC1=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272942760 1072406170 /nfs/dbraw/zinc/40/61/70/1072406170.db2.gz DZPAFVXYPUHGCO-MRXNPFEDSA-N 1 0 389.456 -0.006 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 ZINC000272951380 1072407341 /nfs/dbraw/zinc/40/73/41/1072407341.db2.gz ORYYBCPTJZPGQS-UHFFFAOYSA-N 1 0 377.445 -0.887 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NCCN3CCNC(=O)C3)ccn2)CC1 ZINC000272952921 1072407204 /nfs/dbraw/zinc/40/72/04/1072407204.db2.gz MVJCBMINACGLMO-UHFFFAOYSA-N 1 0 375.477 -0.936 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000272954814 1072407094 /nfs/dbraw/zinc/40/70/94/1072407094.db2.gz OXCHNIGPRDPTFN-UHFFFAOYSA-N 1 0 387.484 -0.189 20 0 GBADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCCN2CCNC(=O)C2)cc1 ZINC000272954943 1072407369 /nfs/dbraw/zinc/40/73/69/1072407369.db2.gz MZVORCCMFFROEW-UHFFFAOYSA-N 1 0 377.489 -0.100 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272955344 1072406902 /nfs/dbraw/zinc/40/69/02/1072406902.db2.gz GSVHEMAIZYIXCU-GOSISDBHSA-N 1 0 389.500 -0.126 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272955348 1072406955 /nfs/dbraw/zinc/40/69/55/1072406955.db2.gz GSVHEMAIZYIXCU-SFHVURJKSA-N 1 0 389.500 -0.126 20 0 GBADRO NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000272956728 1072407078 /nfs/dbraw/zinc/40/70/78/1072407078.db2.gz GZWCWCFTBVQQRI-UHFFFAOYSA-N 1 0 398.485 -0.106 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[NH+]1CCCC1 ZINC000272957201 1072408193 /nfs/dbraw/zinc/40/81/93/1072408193.db2.gz RAJUAYVZLOTHJL-AWEZNQCLSA-N 1 0 393.492 -0.021 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[NH+]1CCCC1 ZINC000272957203 1072408135 /nfs/dbraw/zinc/40/81/35/1072408135.db2.gz RAJUAYVZLOTHJL-CQSZACIVSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000272961600 1072408024 /nfs/dbraw/zinc/40/80/24/1072408024.db2.gz HRODMFWRXJICJH-UHFFFAOYSA-N 1 0 391.472 -0.355 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)n1 ZINC000272961876 1072408005 /nfs/dbraw/zinc/40/80/05/1072408005.db2.gz ROQOXOPKPKPVBJ-AWEZNQCLSA-N 1 0 393.492 -0.021 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)n1 ZINC000272961877 1072408031 /nfs/dbraw/zinc/40/80/31/1072408031.db2.gz ROQOXOPKPKPVBJ-CQSZACIVSA-N 1 0 393.492 -0.021 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000272969584 1072407982 /nfs/dbraw/zinc/40/79/82/1072407982.db2.gz BIPWCMBLZSMRGK-HNNXBMFYSA-N 1 0 394.497 -0.121 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000272969586 1072408143 /nfs/dbraw/zinc/40/81/43/1072408143.db2.gz BIPWCMBLZSMRGK-OAHLLOKOSA-N 1 0 394.497 -0.121 20 0 GBADRO Cn1c2ncn(CCC(=O)Nc3ccc(OCC[NH3+])cc3)c2c(=O)n(C)c1=O ZINC000272996062 1072409836 /nfs/dbraw/zinc/40/98/36/1072409836.db2.gz LQPXHDYBHLVPFW-UHFFFAOYSA-N 1 0 386.412 -0.200 20 0 GBADRO Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1=O ZINC000272996530 1072409735 /nfs/dbraw/zinc/40/97/35/1072409735.db2.gz OFZYAGJWRUTLHB-AWEZNQCLSA-N 1 0 375.429 -0.911 20 0 GBADRO Cn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1=O ZINC000272996534 1072409817 /nfs/dbraw/zinc/40/98/17/1072409817.db2.gz OFZYAGJWRUTLHB-CQSZACIVSA-N 1 0 375.429 -0.911 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCCS(N)(=O)=O ZINC000272996625 1072409752 /nfs/dbraw/zinc/40/97/52/1072409752.db2.gz OIFANSOXLVXPEF-UHFFFAOYSA-N 1 0 386.474 -0.250 20 0 GBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)CC(C)C ZINC000273010703 1072410687 /nfs/dbraw/zinc/41/06/87/1072410687.db2.gz YZEACOQMYSBMEG-CYBMUJFWSA-N 1 0 381.481 -0.165 20 0 GBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)CC(C)C ZINC000273010705 1072410728 /nfs/dbraw/zinc/41/07/28/1072410728.db2.gz YZEACOQMYSBMEG-ZDUSSCGKSA-N 1 0 381.481 -0.165 20 0 GBADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000273012203 1072410583 /nfs/dbraw/zinc/41/05/83/1072410583.db2.gz ZITYCTGPUHYGJQ-UHFFFAOYSA-N 1 0 381.481 -0.211 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c(OCC[NH+](C)C)c1 ZINC000273037404 1072411362 /nfs/dbraw/zinc/41/13/62/1072411362.db2.gz ZANIIAQKEAZFIY-UHFFFAOYSA-N 1 0 391.472 -0.578 20 0 GBADRO C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[NH2+]C1 ZINC000273037520 1072411435 /nfs/dbraw/zinc/41/14/35/1072411435.db2.gz UFSGXCGUZDDPIJ-GOSISDBHSA-N 1 0 394.497 -0.073 20 0 GBADRO C[C@]1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCC[NH2+]C1 ZINC000273037521 1072411092 /nfs/dbraw/zinc/41/10/92/1072411092.db2.gz UFSGXCGUZDDPIJ-SFHVURJKSA-N 1 0 394.497 -0.073 20 0 GBADRO C[C@@]1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCC[NH2+]C1 ZINC000273047654 1072411992 /nfs/dbraw/zinc/41/19/92/1072411992.db2.gz WKZPYASKNGIQJU-GOSISDBHSA-N 1 0 394.497 -0.073 20 0 GBADRO C[C@]1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCC[NH2+]C1 ZINC000273047656 1072412343 /nfs/dbraw/zinc/41/23/43/1072412343.db2.gz WKZPYASKNGIQJU-SFHVURJKSA-N 1 0 394.497 -0.073 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCNC(=O)C3)cn2)CC1 ZINC000273056310 1072412358 /nfs/dbraw/zinc/41/23/58/1072412358.db2.gz XZAHRFHHWZJSHK-UHFFFAOYSA-N 1 0 375.477 -0.936 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000273063810 1072412995 /nfs/dbraw/zinc/41/29/95/1072412995.db2.gz JIMMBQYUKYPVMA-AWEZNQCLSA-N 1 0 386.474 -0.383 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000273063814 1072412599 /nfs/dbraw/zinc/41/25/99/1072412599.db2.gz JIMMBQYUKYPVMA-CQSZACIVSA-N 1 0 386.474 -0.383 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CCNC(=O)C2)c1 ZINC000273069253 1072413094 /nfs/dbraw/zinc/41/30/94/1072413094.db2.gz ZGTINRRQEHBLLF-UHFFFAOYSA-N 1 0 390.488 -0.791 20 0 GBADRO C[C@H](CCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[NH+]1CCCCC1 ZINC000273116668 1072415120 /nfs/dbraw/zinc/41/51/20/1072415120.db2.gz BUQFSVBONBUHBM-GFCCVEGCSA-N 1 0 385.490 -0.227 20 0 GBADRO C[C@@H](CCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[NH+]1CCCCC1 ZINC000273116671 1072415180 /nfs/dbraw/zinc/41/51/80/1072415180.db2.gz BUQFSVBONBUHBM-LBPRGKRZSA-N 1 0 385.490 -0.227 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273122181 1072414663 /nfs/dbraw/zinc/41/46/63/1072414663.db2.gz PUEDHMZAGVFDBP-KRWDZBQOSA-N 1 0 399.513 -0.175 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273122194 1072415157 /nfs/dbraw/zinc/41/51/57/1072415157.db2.gz PUEDHMZAGVFDBP-QGZVFWFLSA-N 1 0 399.513 -0.175 20 0 GBADRO O=C(C[NH2+][C@@H](CO)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000273129253 1072415136 /nfs/dbraw/zinc/41/51/36/1072415136.db2.gz RDYLBPNYNOXQQI-SFHVURJKSA-N 1 0 390.484 -0.687 20 0 GBADRO COC(=O)c1sccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000273138013 1072416096 /nfs/dbraw/zinc/41/60/96/1072416096.db2.gz OBHKUXQBQVHLJY-LLVKDONJSA-N 1 0 382.442 -0.071 20 0 GBADRO COC(=O)c1sccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000273138014 1072416030 /nfs/dbraw/zinc/41/60/30/1072416030.db2.gz OBHKUXQBQVHLJY-NSHDSACASA-N 1 0 382.442 -0.071 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000273260854 1072417673 /nfs/dbraw/zinc/41/76/73/1072417673.db2.gz BYADPFWSARHOAK-UHFFFAOYSA-N 1 0 377.445 -0.155 20 0 GBADRO CCOC(=O)COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000273296277 1072418704 /nfs/dbraw/zinc/41/87/04/1072418704.db2.gz KXDHFGAZXDLZPW-GOSISDBHSA-N 1 0 381.429 -0.004 20 0 GBADRO CCOC(=O)COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000273296278 1072418779 /nfs/dbraw/zinc/41/87/79/1072418779.db2.gz KXDHFGAZXDLZPW-SFHVURJKSA-N 1 0 381.429 -0.004 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000273298853 1072418674 /nfs/dbraw/zinc/41/86/74/1072418674.db2.gz KHGXGTRWFOLNRY-AWEZNQCLSA-N 1 0 385.428 -0.338 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000273298857 1072418639 /nfs/dbraw/zinc/41/86/39/1072418639.db2.gz KHGXGTRWFOLNRY-CQSZACIVSA-N 1 0 385.428 -0.338 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000273330270 1072419359 /nfs/dbraw/zinc/41/93/59/1072419359.db2.gz ITVIADDACJEDEC-CYBMUJFWSA-N 1 0 383.470 -0.199 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000273330272 1072419788 /nfs/dbraw/zinc/41/97/88/1072419788.db2.gz ITVIADDACJEDEC-ZDUSSCGKSA-N 1 0 383.470 -0.199 20 0 GBADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000273345963 1072419555 /nfs/dbraw/zinc/41/95/55/1072419555.db2.gz XRXMULMVSGWDDP-CMPLNLGQSA-N 1 0 379.461 -0.349 20 0 GBADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000273345966 1072419533 /nfs/dbraw/zinc/41/95/33/1072419533.db2.gz XRXMULMVSGWDDP-JQWIXIFHSA-N 1 0 379.461 -0.349 20 0 GBADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000273345969 1072419625 /nfs/dbraw/zinc/41/96/25/1072419625.db2.gz XRXMULMVSGWDDP-PWSUYJOCSA-N 1 0 379.461 -0.349 20 0 GBADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000273345973 1072419514 /nfs/dbraw/zinc/41/95/14/1072419514.db2.gz XRXMULMVSGWDDP-ZYHUDNBSSA-N 1 0 379.461 -0.349 20 0 GBADRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc(OC)c1OCC(N)=O ZINC000273358152 1072420704 /nfs/dbraw/zinc/42/07/04/1072420704.db2.gz DURSGXBYIKZNSL-UHFFFAOYSA-N 1 0 394.472 -0.113 20 0 GBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000273364800 1072420630 /nfs/dbraw/zinc/42/06/30/1072420630.db2.gz SYWLOUXDSCUWTK-CYBMUJFWSA-N 1 0 393.444 -0.284 20 0 GBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000273364811 1072420360 /nfs/dbraw/zinc/42/03/60/1072420360.db2.gz SYWLOUXDSCUWTK-ZDUSSCGKSA-N 1 0 393.444 -0.284 20 0 GBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C(C)(C)CC(N)=O)C2=O)cc1 ZINC000273368325 1072420250 /nfs/dbraw/zinc/42/02/50/1072420250.db2.gz BNNARIHQWAGEQG-GOSISDBHSA-N 1 0 391.428 -0.263 20 0 GBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C(C)(C)CC(N)=O)C2=O)cc1 ZINC000273368327 1072420657 /nfs/dbraw/zinc/42/06/57/1072420657.db2.gz BNNARIHQWAGEQG-SFHVURJKSA-N 1 0 391.428 -0.263 20 0 GBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C(C)(C)CC(N)=O)C2=O)c1 ZINC000273423719 1072422295 /nfs/dbraw/zinc/42/22/95/1072422295.db2.gz KHPGHDFHYDIOFB-GOSISDBHSA-N 1 0 391.428 -0.263 20 0 GBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C(C)(C)CC(N)=O)C2=O)c1 ZINC000273423723 1072422233 /nfs/dbraw/zinc/42/22/33/1072422233.db2.gz KHPGHDFHYDIOFB-SFHVURJKSA-N 1 0 391.428 -0.263 20 0 GBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN(CCO)CC2)CC1 ZINC000273428214 1072422937 /nfs/dbraw/zinc/42/29/37/1072422937.db2.gz KYWDTIDMXHSBDS-UHFFFAOYSA-N 1 0 378.477 -0.385 20 0 GBADRO O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000273505151 1072424833 /nfs/dbraw/zinc/42/48/33/1072424833.db2.gz QVFQVGQOZOHJEJ-UHFFFAOYSA-N 1 0 393.513 -0.276 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)C2=O)n(C)n1 ZINC000273511697 1072425156 /nfs/dbraw/zinc/42/51/56/1072425156.db2.gz LXNXIYMRJFORSU-ILXRZTDVSA-N 1 0 378.477 -0.070 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)C2=O)n(C)n1 ZINC000273511700 1072425106 /nfs/dbraw/zinc/42/51/06/1072425106.db2.gz LXNXIYMRJFORSU-KFWWJZLASA-N 1 0 378.477 -0.070 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)C2=O)n(C)n1 ZINC000273511703 1072425010 /nfs/dbraw/zinc/42/50/10/1072425010.db2.gz LXNXIYMRJFORSU-KKUMJFAQSA-N 1 0 378.477 -0.070 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)C2=O)n(C)n1 ZINC000273511707 1072425119 /nfs/dbraw/zinc/42/51/19/1072425119.db2.gz LXNXIYMRJFORSU-ZNMIVQPWSA-N 1 0 378.477 -0.070 20 0 GBADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000273517482 1072425135 /nfs/dbraw/zinc/42/51/35/1072425135.db2.gz FITKYAULCQQFQU-UHFFFAOYSA-N 1 0 375.429 -0.709 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(CCO)CC3)c2)CC1 ZINC000273518592 1072425045 /nfs/dbraw/zinc/42/50/45/1072425045.db2.gz PSRIIQUVYPMRPP-UHFFFAOYSA-N 1 0 389.500 -0.491 20 0 GBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000273523485 1072424889 /nfs/dbraw/zinc/42/48/89/1072424889.db2.gz QHOKCZMWXBPSNU-UHFFFAOYSA-N 1 0 398.485 -0.110 20 0 GBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000273527280 1072425094 /nfs/dbraw/zinc/42/50/94/1072425094.db2.gz QWRWUHOHZALUGT-UHFFFAOYSA-N 1 0 398.485 -0.110 20 0 GBADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000273530169 1072424826 /nfs/dbraw/zinc/42/48/26/1072424826.db2.gz RJNROGFOKIIPKL-UHFFFAOYSA-N 1 0 396.513 -0.096 20 0 GBADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000273553824 1072425953 /nfs/dbraw/zinc/42/59/53/1072425953.db2.gz HWKSMINHCVGLOP-UHFFFAOYSA-N 1 0 396.517 -0.602 20 0 GBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000273578758 1072426910 /nfs/dbraw/zinc/42/69/10/1072426910.db2.gz ZGHFJDJBEGOZNW-UHFFFAOYSA-N 1 0 389.500 -0.097 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000273638301 1072428419 /nfs/dbraw/zinc/42/84/19/1072428419.db2.gz GYPOYXUDFSMFAH-AWEZNQCLSA-N 1 0 379.440 -0.213 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000273638305 1072428770 /nfs/dbraw/zinc/42/87/70/1072428770.db2.gz GYPOYXUDFSMFAH-CQSZACIVSA-N 1 0 379.440 -0.213 20 0 GBADRO CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000273641720 1072428962 /nfs/dbraw/zinc/42/89/62/1072428962.db2.gz YZHQGBYOLPGZIJ-UHFFFAOYSA-N 1 0 396.513 -0.240 20 0 GBADRO CCNS(=O)(=O)c1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000273657171 1072429416 /nfs/dbraw/zinc/42/94/16/1072429416.db2.gz XJQZLZXOORIGCU-INIZCTEOSA-N 1 0 396.513 -0.017 20 0 GBADRO CCNS(=O)(=O)c1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000273657173 1072429457 /nfs/dbraw/zinc/42/94/57/1072429457.db2.gz XJQZLZXOORIGCU-MRXNPFEDSA-N 1 0 396.513 -0.017 20 0 GBADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000273664952 1072429748 /nfs/dbraw/zinc/42/97/48/1072429748.db2.gz FHCSXOZPNSFIJU-CYBMUJFWSA-N 1 0 396.469 -0.090 20 0 GBADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000273664954 1072429927 /nfs/dbraw/zinc/42/99/27/1072429927.db2.gz FHCSXOZPNSFIJU-ZDUSSCGKSA-N 1 0 396.469 -0.090 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000273693289 1072430506 /nfs/dbraw/zinc/43/05/06/1072430506.db2.gz KMRBZZXZQWQTBR-UHFFFAOYSA-N 1 0 391.476 -0.506 20 0 GBADRO CN(C)c1ncncc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000273723745 1072431377 /nfs/dbraw/zinc/43/13/77/1072431377.db2.gz OPFXRDDAGVPHIC-AWEZNQCLSA-N 1 0 389.460 -0.754 20 0 GBADRO CN(C)c1ncncc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000273723746 1072431459 /nfs/dbraw/zinc/43/14/59/1072431459.db2.gz OPFXRDDAGVPHIC-CQSZACIVSA-N 1 0 389.460 -0.754 20 0 GBADRO CN(C)c1ncncc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000273749722 1072431135 /nfs/dbraw/zinc/43/11/35/1072431135.db2.gz RSOUWVLQKGJIMP-UHFFFAOYSA-N 1 0 375.477 -0.279 20 0 GBADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000273796673 1072432143 /nfs/dbraw/zinc/43/21/43/1072432143.db2.gz VECSYPXPVPPKNW-CYBMUJFWSA-N 1 0 396.469 -0.090 20 0 GBADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000273796674 1072432011 /nfs/dbraw/zinc/43/20/11/1072432011.db2.gz VECSYPXPVPPKNW-ZDUSSCGKSA-N 1 0 396.469 -0.090 20 0 GBADRO CCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274182305 530233314 /nfs/dbraw/zinc/23/33/14/530233314.db2.gz DBOSJMJLWSJULP-UHFFFAOYSA-N 1 0 377.488 -0.100 20 0 GBADRO CNS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274211657 530233252 /nfs/dbraw/zinc/23/32/52/530233252.db2.gz ILCCQYLCPKEDAP-UHFFFAOYSA-N 1 0 378.476 -0.986 20 0 GBADRO CN(CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)S(C)(=O)=O ZINC000274216854 530233479 /nfs/dbraw/zinc/23/34/79/530233479.db2.gz JAGOPJILAKNOPZ-UHFFFAOYSA-N 1 0 392.503 -0.644 20 0 GBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)S(C)(=O)=O ZINC000274220873 530233810 /nfs/dbraw/zinc/23/38/10/530233810.db2.gz JPJJTBSEJZGJLT-LLVKDONJSA-N 1 0 377.488 -0.102 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)S(C)(=O)=O ZINC000274220874 530233926 /nfs/dbraw/zinc/23/39/26/530233926.db2.gz JPJJTBSEJZGJLT-NSHDSACASA-N 1 0 377.488 -0.102 20 0 GBADRO CCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274275393 530233908 /nfs/dbraw/zinc/23/39/08/530233908.db2.gz MYMLEFCGLRTURZ-UHFFFAOYSA-N 1 0 392.503 -0.596 20 0 GBADRO C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274280409 530233745 /nfs/dbraw/zinc/23/37/45/530233745.db2.gz NTMAKDYIGVQTSW-LLVKDONJSA-N 1 0 392.503 -0.597 20 0 GBADRO C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274280413 530233923 /nfs/dbraw/zinc/23/39/23/530233923.db2.gz NTMAKDYIGVQTSW-NSHDSACASA-N 1 0 392.503 -0.597 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2CSCC2=O)c1 ZINC000274299842 530233699 /nfs/dbraw/zinc/23/36/99/530233699.db2.gz SAPXDLLBXMAAJT-UHFFFAOYSA-N 1 0 386.499 -0.002 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000274352271 530233929 /nfs/dbraw/zinc/23/39/29/530233929.db2.gz BGOOCFVEVJHZIR-UHFFFAOYSA-N 1 0 379.504 -0.802 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000274361045 530233639 /nfs/dbraw/zinc/23/36/39/530233639.db2.gz DHWWRDODICHMTA-UHFFFAOYSA-N 1 0 391.515 -0.181 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000274365845 530233999 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378.520 -0.018 20 0 GBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000274710096 1072150647 /nfs/dbraw/zinc/15/06/47/1072150647.db2.gz CHUXQDCRYURLQA-KRWDZBQOSA-N 1 0 396.513 -0.367 20 0 GBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000274710099 1072150606 /nfs/dbraw/zinc/15/06/06/1072150606.db2.gz CHUXQDCRYURLQA-QGZVFWFLSA-N 1 0 396.513 -0.367 20 0 GBADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](C[NH3+])C2)cc1OC ZINC000274712585 1072150699 /nfs/dbraw/zinc/15/06/99/1072150699.db2.gz DSFZFOJLIAELBT-GFCCVEGCSA-N 1 0 387.458 -0.442 20 0 GBADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](C[NH3+])C2)cc1OC ZINC000274712587 1072151335 /nfs/dbraw/zinc/15/13/35/1072151335.db2.gz DSFZFOJLIAELBT-LBPRGKRZSA-N 1 0 387.458 -0.442 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000274721558 1072151954 /nfs/dbraw/zinc/15/19/54/1072151954.db2.gz UUSJCCWOUNCWRF-UHFFFAOYSA-N 1 0 375.433 -0.006 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000274724585 1072154169 /nfs/dbraw/zinc/15/41/69/1072154169.db2.gz BTAXVYWBXBBJMB-AWEZNQCLSA-N 1 0 384.458 -0.548 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000274724588 1072154534 /nfs/dbraw/zinc/15/45/34/1072154534.db2.gz BTAXVYWBXBBJMB-CQSZACIVSA-N 1 0 384.458 -0.548 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000274726528 530234646 /nfs/dbraw/zinc/23/46/46/530234646.db2.gz CBTOXGFNFGLWTP-MRVPVSSYSA-N 1 0 398.304 -0.025 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000274726530 530234664 /nfs/dbraw/zinc/23/46/64/530234664.db2.gz CBTOXGFNFGLWTP-QMMMGPOBSA-N 1 0 398.304 -0.025 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCO1 ZINC000274728215 1072155169 /nfs/dbraw/zinc/15/51/69/1072155169.db2.gz CDPSNNKZTHSIPK-GFCCVEGCSA-N 1 0 387.433 -0.354 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCO1 ZINC000274728216 1072154971 /nfs/dbraw/zinc/15/49/71/1072154971.db2.gz CDPSNNKZTHSIPK-LBPRGKRZSA-N 1 0 387.433 -0.354 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 ZINC000274736334 1072156808 /nfs/dbraw/zinc/15/68/08/1072156808.db2.gz FMFPAKNYXOXRBX-UHFFFAOYSA-N 1 0 375.433 -0.088 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000274749715 1072161648 /nfs/dbraw/zinc/16/16/48/1072161648.db2.gz GHYYCZILTMSTCP-CYBMUJFWSA-N 1 0 399.469 -0.298 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000274749716 1072161458 /nfs/dbraw/zinc/16/14/58/1072161458.db2.gz GHYYCZILTMSTCP-ZDUSSCGKSA-N 1 0 399.469 -0.298 20 0 GBADRO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000274751443 530234699 /nfs/dbraw/zinc/23/46/99/530234699.db2.gz GRKHVTBERQWZEL-CYBMUJFWSA-N 1 0 389.499 -0.368 20 0 GBADRO NS(=O)(=O)c1ccc(OCCSCC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000274751446 530234578 /nfs/dbraw/zinc/23/45/78/530234578.db2.gz GRKHVTBERQWZEL-ZDUSSCGKSA-N 1 0 389.499 -0.368 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000274753982 1072166841 /nfs/dbraw/zinc/16/68/41/1072166841.db2.gz QQLLQRHTOGXQBX-CABCVRRESA-N 1 0 383.470 -0.056 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000274753984 1072166765 /nfs/dbraw/zinc/16/67/65/1072166765.db2.gz QQLLQRHTOGXQBX-GJZGRUSLSA-N 1 0 383.470 -0.056 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000274753986 1072166818 /nfs/dbraw/zinc/16/68/18/1072166818.db2.gz QQLLQRHTOGXQBX-HUUCEWRRSA-N 1 0 383.470 -0.056 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000274753988 1072166811 /nfs/dbraw/zinc/16/68/11/1072166811.db2.gz QQLLQRHTOGXQBX-LSDHHAIUSA-N 1 0 383.470 -0.056 20 0 GBADRO Cc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000274754420 1072166805 /nfs/dbraw/zinc/16/68/05/1072166805.db2.gz HBLOZYDTCJFDSU-HNNXBMFYSA-N 1 0 383.470 -0.184 20 0 GBADRO Cc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000274754421 1072166552 /nfs/dbraw/zinc/16/65/52/1072166552.db2.gz HBLOZYDTCJFDSU-OAHLLOKOSA-N 1 0 383.470 -0.184 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000274757639 1072170189 /nfs/dbraw/zinc/17/01/89/1072170189.db2.gz HNUAKNQDTXKTST-INIZCTEOSA-N 1 0 397.497 -0.174 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000274757640 1072169931 /nfs/dbraw/zinc/16/99/31/1072169931.db2.gz HNUAKNQDTXKTST-MRXNPFEDSA-N 1 0 397.497 -0.174 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000274771647 1072181001 /nfs/dbraw/zinc/18/10/01/1072181001.db2.gz DCMXFVILBSENAN-CYBMUJFWSA-N 1 0 383.474 -0.599 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000274771648 1072181048 /nfs/dbraw/zinc/18/10/48/1072181048.db2.gz DCMXFVILBSENAN-ZDUSSCGKSA-N 1 0 383.474 -0.599 20 0 GBADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000274776125 530234614 /nfs/dbraw/zinc/23/46/14/530234614.db2.gz XWJMKNFCZJBQIE-MRVPVSSYSA-N 1 0 378.248 -0.104 20 0 GBADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000274776128 530234644 /nfs/dbraw/zinc/23/46/44/530234644.db2.gz XWJMKNFCZJBQIE-QMMMGPOBSA-N 1 0 378.248 -0.104 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000274776284 1072182153 /nfs/dbraw/zinc/18/21/53/1072182153.db2.gz KQENRFXMKJPPTJ-GIZXNFQBSA-N 1 0 395.481 -0.093 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000274776286 1072181996 /nfs/dbraw/zinc/18/19/96/1072181996.db2.gz KQENRFXMKJPPTJ-WUTVXBCWSA-N 1 0 395.481 -0.093 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274781606 1072181804 /nfs/dbraw/zinc/18/18/04/1072181804.db2.gz ZLDQYMGHEMJHCO-CHWSQXEVSA-N 1 0 399.469 -0.299 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274781608 1072181982 /nfs/dbraw/zinc/18/19/82/1072181982.db2.gz ZLDQYMGHEMJHCO-OLZOCXBDSA-N 1 0 399.469 -0.299 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274781610 1072182321 /nfs/dbraw/zinc/18/23/21/1072182321.db2.gz ZLDQYMGHEMJHCO-QWHCGFSZSA-N 1 0 399.469 -0.299 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274781611 1072182041 /nfs/dbraw/zinc/18/20/41/1072182041.db2.gz ZLDQYMGHEMJHCO-STQMWFEESA-N 1 0 399.469 -0.299 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000274818536 1072219207 /nfs/dbraw/zinc/21/92/07/1072219207.db2.gz RXPUZAASKXIUMZ-KBPBESRZSA-N 1 0 385.490 -0.387 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000274818538 1072218840 /nfs/dbraw/zinc/21/88/40/1072218840.db2.gz RXPUZAASKXIUMZ-KGLIPLIRSA-N 1 0 385.490 -0.387 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000274818540 1072218682 /nfs/dbraw/zinc/21/86/82/1072218682.db2.gz RXPUZAASKXIUMZ-UONOGXRCSA-N 1 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CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000274829081 1072219901 /nfs/dbraw/zinc/21/99/01/1072219901.db2.gz RRUQTGWAPAWNKB-UHFFFAOYSA-N 1 0 389.504 -0.255 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000274834935 1072219984 /nfs/dbraw/zinc/21/99/84/1072219984.db2.gz VNSDSDUPVRUMNA-INIZCTEOSA-N 1 0 396.513 -0.513 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000274834939 1072219878 /nfs/dbraw/zinc/21/98/78/1072219878.db2.gz VNSDSDUPVRUMNA-MRXNPFEDSA-N 1 0 396.513 -0.513 20 0 GBADRO CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000274843390 1072219969 /nfs/dbraw/zinc/21/99/69/1072219969.db2.gz QAVCKOWLYFCOFH-UHFFFAOYSA-N 1 0 391.428 -0.311 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274844781 1072220835 /nfs/dbraw/zinc/22/08/35/1072220835.db2.gz XFELONTXDWRJJJ-CYBMUJFWSA-N 1 0 399.469 -0.484 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274844785 1072221018 /nfs/dbraw/zinc/22/10/18/1072221018.db2.gz XFELONTXDWRJJJ-ZDUSSCGKSA-N 1 0 399.469 -0.484 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC([N@H+](C)CCO)CC3)C2=O)n(C)n1 ZINC000274901671 1072224098 /nfs/dbraw/zinc/22/40/98/1072224098.db2.gz DVICYLMDHFMJKL-HNNXBMFYSA-N 1 0 378.477 -0.068 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC([N@H+](C)CCO)CC3)C2=O)n(C)n1 ZINC000274901674 1072224326 /nfs/dbraw/zinc/22/43/26/1072224326.db2.gz DVICYLMDHFMJKL-OAHLLOKOSA-N 1 0 378.477 -0.068 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(N3CCOCC3)n2)CC1=O ZINC000274904145 1072224125 /nfs/dbraw/zinc/22/41/25/1072224125.db2.gz NZABIMQJSJVMLI-HNNXBMFYSA-N 1 0 375.473 -0.056 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(N3CCOCC3)n2)CC1=O ZINC000274904152 1072224400 /nfs/dbraw/zinc/22/44/00/1072224400.db2.gz NZABIMQJSJVMLI-OAHLLOKOSA-N 1 0 375.473 -0.056 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000274916387 1072225032 /nfs/dbraw/zinc/22/50/32/1072225032.db2.gz IKDUJQSAVCCKEQ-UHFFFAOYSA-N 1 0 375.433 -0.006 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000274931705 1072226733 /nfs/dbraw/zinc/22/67/33/1072226733.db2.gz QYUTVAMYGLSFIQ-UHFFFAOYSA-N 1 0 375.477 -0.645 20 0 GBADRO CN1CCN(c2cc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ncn2)CC1=O ZINC000274934554 1072226676 /nfs/dbraw/zinc/22/66/76/1072226676.db2.gz RRFFNCXOOHMAPH-HNNXBMFYSA-N 1 0 387.488 -0.502 20 0 GBADRO CN1CCN(c2cc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)ncn2)CC1=O ZINC000274934556 1072227127 /nfs/dbraw/zinc/22/71/27/1072227127.db2.gz RRFFNCXOOHMAPH-OAHLLOKOSA-N 1 0 387.488 -0.502 20 0 GBADRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1OCC(=O)N1CCOCC1 ZINC000274979065 1072229533 /nfs/dbraw/zinc/22/95/33/1072229533.db2.gz XITAKIRTKLYUAB-HOTGVXAUSA-N 1 0 380.441 -0.140 20 0 GBADRO C[C@H](O)C[NH+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000275032879 1072234717 /nfs/dbraw/zinc/23/47/17/1072234717.db2.gz COGJDYRFKYTVDD-ZDUSSCGKSA-N 1 0 380.474 -0.436 20 0 GBADRO 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ZINC000275085205 530236159 /nfs/dbraw/zinc/23/61/59/530236159.db2.gz GMFNEVIBMFPTAN-ZIAGYGMSSA-N 1 0 387.531 -0.041 20 0 GBADRO CS[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000275139750 1072251971 /nfs/dbraw/zinc/25/19/71/1072251971.db2.gz WOQYYAWBDHLYLY-AAEUAGOBSA-N 1 0 381.502 -0.640 20 0 GBADRO CS[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275139756 1072252045 /nfs/dbraw/zinc/25/20/45/1072252045.db2.gz WOQYYAWBDHLYLY-DGCLKSJQSA-N 1 0 381.502 -0.640 20 0 GBADRO CS[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000275139761 1072252060 /nfs/dbraw/zinc/25/20/60/1072252060.db2.gz WOQYYAWBDHLYLY-WCQYABFASA-N 1 0 381.502 -0.640 20 0 GBADRO CS[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275139765 1072251906 /nfs/dbraw/zinc/25/19/06/1072251906.db2.gz WOQYYAWBDHLYLY-YPMHNXCESA-N 1 0 381.502 -0.640 20 0 GBADRO CS[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1[NH+]1CCCC1 ZINC000275157276 1072253555 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DVDRSWJKIBANIR-UHFFFAOYSA-N 1 0 378.473 -0.424 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000275207231 1072256657 /nfs/dbraw/zinc/25/66/57/1072256657.db2.gz FKVUXLALXGYOMX-UHFFFAOYSA-N 1 0 376.413 -0.308 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(CCO)CCO ZINC000275210287 1072256589 /nfs/dbraw/zinc/25/65/89/1072256589.db2.gz HPWYLFBINIAQND-UHFFFAOYSA-N 1 0 394.472 -0.411 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000275224594 1072257781 /nfs/dbraw/zinc/25/77/81/1072257781.db2.gz IHMSPWOLRDZLLU-UHFFFAOYSA-N 1 0 378.477 -0.292 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275228035 1072257406 /nfs/dbraw/zinc/25/74/06/1072257406.db2.gz DMBIGUMNEFSUMO-CVEARBPZSA-N 1 0 375.429 -0.810 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275228039 1072257276 /nfs/dbraw/zinc/25/72/76/1072257276.db2.gz DMBIGUMNEFSUMO-HOTGVXAUSA-N 1 0 375.429 -0.810 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275228041 1072257599 /nfs/dbraw/zinc/25/75/99/1072257599.db2.gz DMBIGUMNEFSUMO-HZPDHXFCSA-N 1 0 375.429 -0.810 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275228043 1072257747 /nfs/dbraw/zinc/25/77/47/1072257747.db2.gz DMBIGUMNEFSUMO-JKSUJKDBSA-N 1 0 375.429 -0.810 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000275228298 1072257253 /nfs/dbraw/zinc/25/72/53/1072257253.db2.gz IXRZBLBDGTUJOZ-UHFFFAOYSA-N 1 0 392.460 -0.765 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000275256401 1072259092 /nfs/dbraw/zinc/25/90/92/1072259092.db2.gz NYNBGHWKUBKCLG-UHFFFAOYSA-N 1 0 392.460 -0.765 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000275271544 1072259868 /nfs/dbraw/zinc/25/98/68/1072259868.db2.gz QWLUHXIGTWWHJT-UHFFFAOYSA-N 1 0 390.440 -0.379 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCC[N@H+](CC)CC2)c1=O ZINC000275288916 1072263597 /nfs/dbraw/zinc/26/35/97/1072263597.db2.gz VAXSPIQGGIJTBF-UHFFFAOYSA-N 1 0 378.429 -0.096 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000275293127 1072264670 /nfs/dbraw/zinc/26/46/70/1072264670.db2.gz LSURMQWNFMESMA-UHFFFAOYSA-N 1 0 392.456 -0.145 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000275297678 1072266073 /nfs/dbraw/zinc/26/60/73/1072266073.db2.gz WKNIHAOJHMKJPX-UHFFFAOYSA-N 1 0 398.485 -0.286 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[N@H+](C)CC1)CC2 ZINC000275308917 1072265988 /nfs/dbraw/zinc/26/59/88/1072265988.db2.gz YLXBIVSJNWTVSA-UHFFFAOYSA-N 1 0 380.470 -0.352 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000275313848 1072266722 /nfs/dbraw/zinc/26/67/22/1072266722.db2.gz RXJXTQQTENNVRF-KBPBESRZSA-N 1 0 394.501 -0.047 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000275313852 1072266998 /nfs/dbraw/zinc/26/69/98/1072266998.db2.gz RXJXTQQTENNVRF-KGLIPLIRSA-N 1 0 394.501 -0.047 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000275315376 1072267535 /nfs/dbraw/zinc/26/75/35/1072267535.db2.gz RXJXTQQTENNVRF-UONOGXRCSA-N 1 0 394.501 -0.047 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000275315378 1072267927 /nfs/dbraw/zinc/26/79/27/1072267927.db2.gz RXJXTQQTENNVRF-ZIAGYGMSSA-N 1 0 394.501 -0.047 20 0 GBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@H]1[NH+]1CCCC1 ZINC000275342723 530237211 /nfs/dbraw/zinc/23/72/11/530237211.db2.gz XLMBBCJVCXWADS-CHWSQXEVSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@H]1[NH+]1CCCC1 ZINC000275342730 530237148 /nfs/dbraw/zinc/23/71/48/530237148.db2.gz XLMBBCJVCXWADS-OLZOCXBDSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000275342736 530237317 /nfs/dbraw/zinc/23/73/17/530237317.db2.gz XLMBBCJVCXWADS-QWHCGFSZSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000275342744 530237331 /nfs/dbraw/zinc/23/73/31/530237331.db2.gz XLMBBCJVCXWADS-STQMWFEESA-N 1 0 387.531 -0.263 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000275375862 1072277547 /nfs/dbraw/zinc/27/75/47/1072277547.db2.gz BNRYORNKPAGGEI-UHFFFAOYSA-N 1 0 386.474 -0.096 20 0 GBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000275379723 1072278465 /nfs/dbraw/zinc/27/84/65/1072278465.db2.gz CYWJYJCSEKVXIJ-UHFFFAOYSA-N 1 0 391.472 -0.084 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cn1 ZINC000275381290 1072278493 /nfs/dbraw/zinc/27/84/93/1072278493.db2.gz AFRSJIMGNRKMMP-AWEZNQCLSA-N 1 0 396.492 -0.045 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cn1 ZINC000275381291 1072278258 /nfs/dbraw/zinc/27/82/58/1072278258.db2.gz AFRSJIMGNRKMMP-CQSZACIVSA-N 1 0 396.492 -0.045 20 0 GBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000275390961 1072280269 /nfs/dbraw/zinc/28/02/69/1072280269.db2.gz GNCVTPSSIKRWFV-UHFFFAOYSA-N 1 0 398.485 -0.334 20 0 GBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000275405387 1072280060 /nfs/dbraw/zinc/28/00/60/1072280060.db2.gz JMKWEJMAGZSRPJ-UHFFFAOYSA-N 1 0 389.500 -0.038 20 0 GBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000275417504 1072281035 /nfs/dbraw/zinc/28/10/35/1072281035.db2.gz IDIYJIYPMBFDLS-CYBMUJFWSA-N 1 0 382.486 -0.212 20 0 GBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000275417507 1072281247 /nfs/dbraw/zinc/28/12/47/1072281247.db2.gz IDIYJIYPMBFDLS-ZDUSSCGKSA-N 1 0 382.486 -0.212 20 0 GBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000275418826 1072281096 /nfs/dbraw/zinc/28/10/96/1072281096.db2.gz MBHGIMZLOJRBPH-UHFFFAOYSA-N 1 0 392.456 -0.117 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000275419790 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COC(=O)c1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c(OC)c1 ZINC000275562332 1072293924 /nfs/dbraw/zinc/29/39/24/1072293924.db2.gz CZGPVPXRDWQVNO-UHFFFAOYSA-N 1 0 379.413 -0.007 20 0 GBADRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2)CC1 ZINC000275568017 1072296422 /nfs/dbraw/zinc/29/64/22/1072296422.db2.gz DOAAQQALJCQJDP-UHFFFAOYSA-N 1 0 375.473 -0.033 20 0 GBADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC(=O)N(C)C)CC2)c1 ZINC000275569494 1072296032 /nfs/dbraw/zinc/29/60/32/1072296032.db2.gz HWXOWOVAEXLULS-UHFFFAOYSA-N 1 0 389.500 -0.172 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000275572197 1072297258 /nfs/dbraw/zinc/29/72/58/1072297258.db2.gz ICKLSBPYHYDAHK-UHFFFAOYSA-N 1 0 389.500 -0.355 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000275575046 1072297989 /nfs/dbraw/zinc/29/79/89/1072297989.db2.gz IJHSKIFIVYBTOZ-KRWDZBQOSA-N 1 0 389.500 -0.314 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000275575051 1072298149 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O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000275619587 1072327301 /nfs/dbraw/zinc/32/73/01/1072327301.db2.gz HXKXISCIGOVKAI-INIZCTEOSA-N 1 0 392.456 -0.091 20 0 GBADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000275619592 1072327559 /nfs/dbraw/zinc/32/75/59/1072327559.db2.gz HXKXISCIGOVKAI-MRXNPFEDSA-N 1 0 392.456 -0.091 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O ZINC000275630513 1072329094 /nfs/dbraw/zinc/32/90/94/1072329094.db2.gz QICSZLQGQQKBAB-UHFFFAOYSA-N 1 0 382.486 -0.119 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000275635659 1072331045 /nfs/dbraw/zinc/33/10/45/1072331045.db2.gz NUGQOIJWXUVUSZ-UHFFFAOYSA-N 1 0 389.500 -0.485 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000275638213 1072332259 /nfs/dbraw/zinc/33/22/59/1072332259.db2.gz OEXLDSSJDRAHKW-UHFFFAOYSA-N 1 0 375.473 -0.481 20 0 GBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000275643558 1072332977 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COc1ccc([C@H](CNC(=O)C(=O)NCC(=O)N(C)C)[NH+](C)C)cc1OC ZINC000275704210 1072366003 /nfs/dbraw/zinc/36/60/03/1072366003.db2.gz QWJNUSNGTIWFHH-ZDUSSCGKSA-N 1 0 380.445 -0.373 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1)N1CCCC1 ZINC000275705569 1072368124 /nfs/dbraw/zinc/36/81/24/1072368124.db2.gz RVTJPRARWBLVBY-HNNXBMFYSA-N 1 0 388.472 -0.286 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1)N1CCCC1 ZINC000275705574 1072368237 /nfs/dbraw/zinc/36/82/37/1072368237.db2.gz RVTJPRARWBLVBY-OAHLLOKOSA-N 1 0 388.472 -0.286 20 0 GBADRO O=C(Cn1cc(NC(=O)NCC[N@@H+]2CCCOCC2)cn1)N1CCOCC1 ZINC000275730356 1072393749 /nfs/dbraw/zinc/39/37/49/1072393749.db2.gz KCDXMQUQMMLFAF-UHFFFAOYSA-N 1 0 380.449 -0.414 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275738540 1072395820 /nfs/dbraw/zinc/39/58/20/1072395820.db2.gz WIACZFUUBJVOIO-INIZCTEOSA-N 1 0 390.440 -0.141 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275738541 1072395445 /nfs/dbraw/zinc/39/54/45/1072395445.db2.gz WIACZFUUBJVOIO-MRXNPFEDSA-N 1 0 390.440 -0.141 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](O)CO ZINC000275739643 1072395248 /nfs/dbraw/zinc/39/52/48/1072395248.db2.gz QXONHHZUAOYBNJ-AWEZNQCLSA-N 1 0 380.445 -0.755 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](O)CO ZINC000275739646 1072395615 /nfs/dbraw/zinc/39/56/15/1072395615.db2.gz QXONHHZUAOYBNJ-CQSZACIVSA-N 1 0 380.445 -0.755 20 0 GBADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1 ZINC000275740840 1072395531 /nfs/dbraw/zinc/39/55/31/1072395531.db2.gz BTROASSNPJJTPP-UHFFFAOYSA-N 1 0 380.445 -0.430 20 0 GBADRO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000275742992 1072397311 /nfs/dbraw/zinc/39/73/11/1072397311.db2.gz WXCLVFIHNIUOJE-CQSZACIVSA-N 1 0 392.456 -0.383 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000275747360 1072401596 /nfs/dbraw/zinc/40/15/96/1072401596.db2.gz VVTWBXZNAKUDNL-AWEZNQCLSA-N 1 0 376.461 -0.383 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000275747366 1072401499 /nfs/dbraw/zinc/40/14/99/1072401499.db2.gz VVTWBXZNAKUDNL-CQSZACIVSA-N 1 0 376.461 -0.383 20 0 GBADRO NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275752347 1072410429 /nfs/dbraw/zinc/41/04/29/1072410429.db2.gz DAJLESOWSJQQAK-INIZCTEOSA-N 1 0 392.456 -0.005 20 0 GBADRO O=C(NC[C@H](O)CO)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275752711 1072411475 /nfs/dbraw/zinc/41/14/75/1072411475.db2.gz SUYVDUMWMQAWBU-CVEARBPZSA-N 1 0 387.440 -0.262 20 0 GBADRO O=C(NC[C@H](O)CO)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275752717 1072411555 /nfs/dbraw/zinc/41/15/55/1072411555.db2.gz SUYVDUMWMQAWBU-HOTGVXAUSA-N 1 0 387.440 -0.262 20 0 GBADRO O=C(NC[C@@H](O)CO)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275752722 1072411104 /nfs/dbraw/zinc/41/11/04/1072411104.db2.gz SUYVDUMWMQAWBU-HZPDHXFCSA-N 1 0 387.440 -0.262 20 0 GBADRO O=C(NC[C@@H](O)CO)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275752727 1072411326 /nfs/dbraw/zinc/41/13/26/1072411326.db2.gz SUYVDUMWMQAWBU-JKSUJKDBSA-N 1 0 387.440 -0.262 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCCOCC2)c2ccccc2O1 ZINC000275763835 1072415039 /nfs/dbraw/zinc/41/50/39/1072415039.db2.gz QCNKJKHOBZJRMY-INIZCTEOSA-N 1 0 390.440 -0.635 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCCOCC2)c2ccccc2O1 ZINC000275763839 1072414832 /nfs/dbraw/zinc/41/48/32/1072414832.db2.gz QCNKJKHOBZJRMY-MRXNPFEDSA-N 1 0 390.440 -0.635 20 0 GBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC(=O)N(C)C)CC1 ZINC000275772866 1072417465 /nfs/dbraw/zinc/41/74/65/1072417465.db2.gz ZCJXTQVHWMXCNJ-UHFFFAOYSA-N 1 0 389.500 -0.355 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275784804 1072418251 /nfs/dbraw/zinc/41/82/51/1072418251.db2.gz GTGBWGAFQQRIPQ-CYBMUJFWSA-N 1 0 387.506 -0.458 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275784806 1072418426 /nfs/dbraw/zinc/41/84/26/1072418426.db2.gz GTGBWGAFQQRIPQ-ZDUSSCGKSA-N 1 0 387.506 -0.458 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCC(=O)NCCO ZINC000275789285 1072419192 /nfs/dbraw/zinc/41/91/92/1072419192.db2.gz KSJHKFYXCRETEO-UHFFFAOYSA-N 1 0 380.445 -0.430 20 0 GBADRO O=C(Cn1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)n1)N1CCOCC1 ZINC000275789354 1072419059 /nfs/dbraw/zinc/41/90/59/1072419059.db2.gz VDEXDQFRMLMOHE-UHFFFAOYSA-N 1 0 380.449 -0.414 20 0 GBADRO O=C(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)NCCO ZINC000275791521 1072420262 /nfs/dbraw/zinc/42/02/62/1072420262.db2.gz KZRGJXVQVDWWOO-UHFFFAOYSA-N 1 0 376.457 -0.122 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000275794164 1072421756 /nfs/dbraw/zinc/42/17/56/1072421756.db2.gz YSRIXYZFJQNNLQ-HNNXBMFYSA-N 1 0 380.445 -0.834 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000275794166 1072422009 /nfs/dbraw/zinc/42/20/09/1072422009.db2.gz YSRIXYZFJQNNLQ-OAHLLOKOSA-N 1 0 380.445 -0.834 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1Cl ZINC000275795863 1072422397 /nfs/dbraw/zinc/42/23/97/1072422397.db2.gz LUVAGPFWCGPEEP-UHFFFAOYSA-N 1 0 386.836 -0.556 20 0 GBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@@H](O)CO)CC1 ZINC000275798748 1072423705 /nfs/dbraw/zinc/42/37/05/1072423705.db2.gz ZGFUCYJBSQZEGI-CYBMUJFWSA-N 1 0 384.864 -0.110 20 0 GBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NC[C@H](O)CO)CC1 ZINC000275798756 1072423641 /nfs/dbraw/zinc/42/36/41/1072423641.db2.gz ZGFUCYJBSQZEGI-ZDUSSCGKSA-N 1 0 384.864 -0.110 20 0 GBADRO O=C(NC[C@H](O)CO)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000275801509 1072425401 /nfs/dbraw/zinc/42/54/01/1072425401.db2.gz ZPBNMJICDJSSER-KRWDZBQOSA-N 1 0 376.457 -0.374 20 0 GBADRO O=C(NC[C@@H](O)CO)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000275801514 1072425581 /nfs/dbraw/zinc/42/55/81/1072425581.db2.gz ZPBNMJICDJSSER-QGZVFWFLSA-N 1 0 376.457 -0.374 20 0 GBADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 ZINC000275801519 1072425292 /nfs/dbraw/zinc/42/52/92/1072425292.db2.gz ZPEFZSSJESVPEF-INIZCTEOSA-N 1 0 392.456 -0.091 20 0 GBADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 ZINC000275801523 1072425643 /nfs/dbraw/zinc/42/56/43/1072425643.db2.gz ZPEFZSSJESVPEF-MRXNPFEDSA-N 1 0 392.456 -0.091 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc2)CC1 ZINC000275807491 1072436202 /nfs/dbraw/zinc/43/62/02/1072436202.db2.gz AFYQNGLTVYMYPT-KRWDZBQOSA-N 1 0 378.473 -0.426 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)cnc2n(C)c1=O ZINC000275807772 1072436892 /nfs/dbraw/zinc/43/68/92/1072436892.db2.gz JFQBNSVOKNCYBX-UHFFFAOYSA-N 1 0 388.428 -0.829 20 0 GBADRO COCCN(CCO)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000275809852 1072438715 /nfs/dbraw/zinc/43/87/15/1072438715.db2.gz NZWLYBLDFYIYEQ-UHFFFAOYSA-N 1 0 378.473 -0.160 20 0 GBADRO O=C(CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)NCCO ZINC000275813651 1072441336 /nfs/dbraw/zinc/44/13/36/1072441336.db2.gz OSSZPLQCQKOQJB-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCC[NH2+]CCOC)cn1 ZINC000275819611 1072443329 /nfs/dbraw/zinc/44/33/29/1072443329.db2.gz BXRHMPVREGTDNH-UHFFFAOYSA-N 1 0 383.449 -0.138 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000275819628 1072443424 /nfs/dbraw/zinc/44/34/24/1072443424.db2.gz BZMFYSMZRJDIKW-UHFFFAOYSA-N 1 0 376.417 -0.748 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000275820656 1072443204 /nfs/dbraw/zinc/44/32/04/1072443204.db2.gz PUIOXYOBUCPCTN-DLBZAZTESA-N 1 0 392.500 -0.340 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000275820662 1072443002 /nfs/dbraw/zinc/44/30/02/1072443002.db2.gz PUIOXYOBUCPCTN-IAGOWNOFSA-N 1 0 392.500 -0.340 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000275820669 1072443377 /nfs/dbraw/zinc/44/33/77/1072443377.db2.gz PUIOXYOBUCPCTN-IRXDYDNUSA-N 1 0 392.500 -0.340 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000275820674 1072443286 /nfs/dbraw/zinc/44/32/86/1072443286.db2.gz PUIOXYOBUCPCTN-SJORKVTESA-N 1 0 392.500 -0.340 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)NCC[N@@H+]3CCCOCC3)cnc2n(C)c1=O ZINC000275821345 1072443079 /nfs/dbraw/zinc/44/30/79/1072443079.db2.gz KNTOYAPMFGIRON-UHFFFAOYSA-N 1 0 376.417 -0.524 20 0 GBADRO CNS(=O)(=O)CCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000275823028 1072443319 /nfs/dbraw/zinc/44/33/19/1072443319.db2.gz DUMZCQRTGZINCQ-UHFFFAOYSA-N 1 0 383.518 -0.218 20 0 GBADRO COCCN(CCO)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000275830847 1072445163 /nfs/dbraw/zinc/44/51/63/1072445163.db2.gz RZHXMWZFYUYNLT-UHFFFAOYSA-N 1 0 394.428 -0.438 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[NH2+]CCOC)c1C ZINC000275834908 1072445921 /nfs/dbraw/zinc/44/59/21/1072445921.db2.gz FAKQJPAAMLGNTI-UHFFFAOYSA-N 1 0 386.474 -0.416 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CCC1 ZINC000275839216 1072446818 /nfs/dbraw/zinc/44/68/18/1072446818.db2.gz MGGBUWOQQWYARF-UHFFFAOYSA-N 1 0 378.477 -0.246 20 0 GBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000275840187 1072446607 /nfs/dbraw/zinc/44/66/07/1072446607.db2.gz ADMHSFHGLRTAHH-UHFFFAOYSA-N 1 0 378.477 -0.294 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCCO)c(C)c2)CC1 ZINC000275840713 1072446560 /nfs/dbraw/zinc/44/65/60/1072446560.db2.gz UYKIVPKDWNVFEP-UHFFFAOYSA-N 1 0 391.472 -0.700 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)C[C@H](O)CO ZINC000275841150 1072446597 /nfs/dbraw/zinc/44/65/97/1072446597.db2.gz FRJHMWJEDDNXDQ-HNNXBMFYSA-N 1 0 394.472 -0.413 20 0 GBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000275842143 1072446576 /nfs/dbraw/zinc/44/65/76/1072446576.db2.gz AHKZDCNVXWGDDD-KGLIPLIRSA-N 1 0 376.461 -0.005 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000275845040 530238747 /nfs/dbraw/zinc/23/87/47/530238747.db2.gz FVMKEQOVBIQEBY-UHFFFAOYSA-N 1 0 390.531 -0.868 20 0 GBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000275850198 530238521 /nfs/dbraw/zinc/23/85/21/530238521.db2.gz GWSDRFFZUVORSA-UHFFFAOYSA-N 1 0 375.516 -0.076 20 0 GBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000275850844 1072448484 /nfs/dbraw/zinc/44/84/84/1072448484.db2.gz MVRUIFXOAZMRKQ-UHFFFAOYSA-N 1 0 390.488 -0.256 20 0 GBADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(N)=O ZINC000275852196 1072449011 /nfs/dbraw/zinc/44/90/11/1072449011.db2.gz DTYOMMVWHUWPPM-CQSZACIVSA-N 1 0 391.428 -0.279 20 0 GBADRO O=C(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)NCCO ZINC000275855893 1072449313 /nfs/dbraw/zinc/44/93/13/1072449313.db2.gz YFVQISXSUMVTQI-UHFFFAOYSA-N 1 0 394.497 -0.559 20 0 GBADRO CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(N)=O ZINC000275864162 1072451134 /nfs/dbraw/zinc/45/11/34/1072451134.db2.gz GGDYTAXLHZCEHD-MRXNPFEDSA-N 1 0 375.473 -0.001 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCCOCC(N)=O ZINC000275869098 1072451759 /nfs/dbraw/zinc/45/17/59/1072451759.db2.gz DUBXJBRQXGOEKO-UHFFFAOYSA-N 1 0 380.445 -0.036 20 0 GBADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000275876306 530239138 /nfs/dbraw/zinc/23/91/38/530239138.db2.gz KGOCMZGCDFMDKJ-CYBMUJFWSA-N 1 0 391.515 -0.093 20 0 GBADRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000275876309 530238994 /nfs/dbraw/zinc/23/89/94/530238994.db2.gz KGOCMZGCDFMDKJ-ZDUSSCGKSA-N 1 0 391.515 -0.093 20 0 GBADRO CCc1ccc(NC(=O)C(=O)NCCC[NH2+]CCOC)cc1S(N)(=O)=O ZINC000275876789 1072458087 /nfs/dbraw/zinc/45/80/87/1072458087.db2.gz KMAXDWMYEUESHV-UHFFFAOYSA-N 1 0 386.474 -0.423 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000275877903 1072458062 /nfs/dbraw/zinc/45/80/62/1072458062.db2.gz GVDLFIFVLWXTEL-QLFBSQMISA-N 1 0 390.488 -0.008 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000275877908 1072458286 /nfs/dbraw/zinc/45/82/86/1072458286.db2.gz GVDLFIFVLWXTEL-RBSFLKMASA-N 1 0 390.488 -0.008 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000275877912 1072458378 /nfs/dbraw/zinc/45/83/78/1072458378.db2.gz GVDLFIFVLWXTEL-RRFJBIMHSA-N 1 0 390.488 -0.008 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000275877918 1072458105 /nfs/dbraw/zinc/45/81/05/1072458105.db2.gz GVDLFIFVLWXTEL-SOUVJXGZSA-N 1 0 390.488 -0.008 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c(C)c2)CC1 ZINC000275878592 1072459283 /nfs/dbraw/zinc/45/92/83/1072459283.db2.gz KSFOFXMDDAMVMZ-INIZCTEOSA-N 1 0 378.473 -0.113 20 0 GBADRO CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000275884388 1072461608 /nfs/dbraw/zinc/46/16/08/1072461608.db2.gz RAUHKOJGGZMYPD-UHFFFAOYSA-N 1 0 375.473 -0.033 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@H](C)C1 ZINC000275887206 1072462805 /nfs/dbraw/zinc/46/28/05/1072462805.db2.gz GXOXCKBBNHCTAW-GFCCVEGCSA-N 1 0 378.433 -0.423 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@@H](C)C1 ZINC000275887209 1072462511 /nfs/dbraw/zinc/46/25/11/1072462511.db2.gz GXOXCKBBNHCTAW-LBPRGKRZSA-N 1 0 378.433 -0.423 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000275887961 1072463343 /nfs/dbraw/zinc/46/33/43/1072463343.db2.gz MHGJFDWYLAAOMD-UHFFFAOYSA-N 1 0 380.445 -0.166 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1=O ZINC000275888916 1072463463 /nfs/dbraw/zinc/46/34/63/1072463463.db2.gz HDLMNDYIYCBBRY-UHFFFAOYSA-N 1 0 378.429 -0.098 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)CC1 ZINC000275889084 1072463491 /nfs/dbraw/zinc/46/34/91/1072463491.db2.gz HIFJBZKOPWKGNH-UHFFFAOYSA-N 1 0 377.445 -0.615 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c1 ZINC000275896630 1072467011 /nfs/dbraw/zinc/46/70/11/1072467011.db2.gz NYYVUBJQJLPABO-INIZCTEOSA-N 1 0 394.472 -0.492 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000275900836 1072468718 /nfs/dbraw/zinc/46/87/18/1072468718.db2.gz OTCFMIAPKJQCCJ-UHFFFAOYSA-N 1 0 395.412 -0.059 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000275903051 1072468612 /nfs/dbraw/zinc/46/86/12/1072468612.db2.gz UJKHETYHHQWOSB-INIZCTEOSA-N 1 0 376.457 -0.536 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000275903054 1072468380 /nfs/dbraw/zinc/46/83/80/1072468380.db2.gz UJKHETYHHQWOSB-MRXNPFEDSA-N 1 0 376.457 -0.536 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCC(N)=O ZINC000275905067 1072469501 /nfs/dbraw/zinc/46/95/01/1072469501.db2.gz UROBFFDDYCTSMJ-UHFFFAOYSA-N 1 0 377.445 -0.233 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000275906552 1072469538 /nfs/dbraw/zinc/46/95/38/1072469538.db2.gz QANKEFNZHJXPJR-UHFFFAOYSA-N 1 0 386.474 -0.382 20 0 GBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000275906567 1072469653 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/nfs/dbraw/zinc/47/05/56/1072470556.db2.gz BHFXJLXLEAWNED-KRWDZBQOSA-N 1 0 392.500 -0.119 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275907730 1072470232 /nfs/dbraw/zinc/47/02/32/1072470232.db2.gz BHFXJLXLEAWNED-QGZVFWFLSA-N 1 0 392.500 -0.119 20 0 GBADRO NC(=O)COCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000275909854 1072470159 /nfs/dbraw/zinc/47/01/59/1072470159.db2.gz KNZPHRZYSKOYCL-UHFFFAOYSA-N 1 0 380.470 -0.208 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000275911046 1072471410 /nfs/dbraw/zinc/47/14/10/1072471410.db2.gz FIPJWFGNYSFSKN-CVEARBPZSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000275911048 1072471250 /nfs/dbraw/zinc/47/12/50/1072471250.db2.gz FIPJWFGNYSFSKN-HOTGVXAUSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000275911050 1072471394 /nfs/dbraw/zinc/47/13/94/1072471394.db2.gz FIPJWFGNYSFSKN-HZPDHXFCSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000275911052 1072471322 /nfs/dbraw/zinc/47/13/22/1072471322.db2.gz FIPJWFGNYSFSKN-JKSUJKDBSA-N 1 0 384.502 -0.282 20 0 GBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000275911591 1072471277 /nfs/dbraw/zinc/47/12/77/1072471277.db2.gz LKYQUJVXMSZNQT-UHFFFAOYSA-N 1 0 378.473 -0.030 20 0 GBADRO CNS(=O)(=O)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000275911700 1072471421 /nfs/dbraw/zinc/47/14/21/1072471421.db2.gz OPESPHMUGAQSSL-UHFFFAOYSA-N 1 0 383.518 -0.347 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000275911958 1072471258 /nfs/dbraw/zinc/47/12/58/1072471258.db2.gz RICASHFTMJGSOI-UHFFFAOYSA-N 1 0 379.461 -0.133 20 0 GBADRO CNS(=O)(=O)CCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000275912718 1072471384 /nfs/dbraw/zinc/47/13/84/1072471384.db2.gz WNKVYGFQPZOUTG-UHFFFAOYSA-N 1 0 384.502 -0.008 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH2+]CCOC)ccc1C ZINC000275916916 1072471956 /nfs/dbraw/zinc/47/19/56/1072471956.db2.gz SIZSLYMKZNVPSY-UHFFFAOYSA-N 1 0 386.474 -0.416 20 0 GBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)NCCC[NH2+]CCOC)cc1 ZINC000275918044 1072472381 /nfs/dbraw/zinc/47/23/81/1072472381.db2.gz SSHMLTYNPGSEHM-UHFFFAOYSA-N 1 0 380.445 -0.118 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000275918571 1072473198 /nfs/dbraw/zinc/47/31/98/1072473198.db2.gz SXPFRGYOQWMLJU-UHFFFAOYSA-N 1 0 381.458 -0.043 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000275920878 1072473229 /nfs/dbraw/zinc/47/32/29/1072473229.db2.gz TXHDBQXJMCAVJR-UHFFFAOYSA-N 1 0 386.474 -0.368 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]CCOC)c2ccccc2O1 ZINC000275920888 1072473326 /nfs/dbraw/zinc/47/33/26/1072473326.db2.gz TXXGCRAPSFXJLL-HNNXBMFYSA-N 1 0 378.429 -0.731 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[NH2+]CCOC)c2ccccc2O1 ZINC000275920892 1072474058 /nfs/dbraw/zinc/47/40/58/1072474058.db2.gz TXXGCRAPSFXJLL-OAHLLOKOSA-N 1 0 378.429 -0.731 20 0 GBADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000275921821 530239186 /nfs/dbraw/zinc/23/91/86/530239186.db2.gz QCLGAUGQMVUSHL-CYBMUJFWSA-N 1 0 391.515 -0.093 20 0 GBADRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000275921822 530239163 /nfs/dbraw/zinc/23/91/63/530239163.db2.gz QCLGAUGQMVUSHL-ZDUSSCGKSA-N 1 0 391.515 -0.093 20 0 GBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)NCCC[NH2+]CCOC)c1 ZINC000275923288 1072475695 /nfs/dbraw/zinc/47/56/95/1072475695.db2.gz UJNIUCZAJIYIFU-UHFFFAOYSA-N 1 0 380.445 -0.118 20 0 GBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000275923369 1072475713 /nfs/dbraw/zinc/47/57/13/1072475713.db2.gz ULJQHTSPPGZNDP-SFHVURJKSA-N 1 0 390.484 -0.031 20 0 GBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC2CCCCC2)n1 ZINC000275930441 1072480359 /nfs/dbraw/zinc/48/03/59/1072480359.db2.gz VQAYXAHJGNPYNF-UHFFFAOYSA-N 1 0 393.492 -0.067 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000275934741 1072484184 /nfs/dbraw/zinc/48/41/84/1072484184.db2.gz WNBJKZBZUUQFTF-UHFFFAOYSA-N 1 0 398.485 -0.192 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000275940059 1072486702 /nfs/dbraw/zinc/48/67/02/1072486702.db2.gz IDLOISVTTNUEER-UHFFFAOYSA-N 1 0 397.545 -0.005 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[NH2+]CCOC)CC2 ZINC000275943814 1072487360 /nfs/dbraw/zinc/48/73/60/1072487360.db2.gz YDMPLXPDFFPJGI-UHFFFAOYSA-N 1 0 398.485 -0.774 20 0 GBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[NH2+]CCOC)c1 ZINC000275945306 1072488172 /nfs/dbraw/zinc/48/81/72/1072488172.db2.gz YLXLWRPLJBAVAE-UHFFFAOYSA-N 1 0 386.474 -0.416 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000275946215 530239158 /nfs/dbraw/zinc/23/91/58/530239158.db2.gz YOVXIYOWKUAQAI-UHFFFAOYSA-N 1 0 390.893 -0.270 20 0 GBADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 ZINC000275947642 1072488299 /nfs/dbraw/zinc/48/82/99/1072488299.db2.gz QHFZKFPVIZGGMK-UHFFFAOYSA-N 1 0 380.445 -0.036 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000275947818 1072488490 /nfs/dbraw/zinc/48/84/90/1072488490.db2.gz YROMIWLFRKZMLM-UHFFFAOYSA-N 1 0 394.497 -0.161 20 0 GBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000275951738 1072488112 /nfs/dbraw/zinc/48/81/12/1072488112.db2.gz ZVCGGQDVNAWSGX-KRWDZBQOSA-N 1 0 378.473 -0.033 20 0 GBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000275958691 1072489108 /nfs/dbraw/zinc/48/91/08/1072489108.db2.gz SFZYUPBWJSQFAT-UHFFFAOYSA-N 1 0 388.428 -0.877 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000275965380 1072490226 /nfs/dbraw/zinc/49/02/26/1072490226.db2.gz NOVZAFVLQCSZPU-KBPBESRZSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000275965384 1072490299 /nfs/dbraw/zinc/49/02/99/1072490299.db2.gz NOVZAFVLQCSZPU-KGLIPLIRSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000275965388 1072490323 /nfs/dbraw/zinc/49/03/23/1072490323.db2.gz NOVZAFVLQCSZPU-UONOGXRCSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000275965392 1072490294 /nfs/dbraw/zinc/49/02/94/1072490294.db2.gz NOVZAFVLQCSZPU-ZIAGYGMSSA-N 1 0 376.461 -0.148 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCNC(=O)CC3)ccc2oc1=O ZINC000275968355 1072492048 /nfs/dbraw/zinc/49/20/48/1072492048.db2.gz CROVIUYNHMIIQK-UHFFFAOYSA-N 1 0 389.412 -0.557 20 0 GBADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000275972927 1072492035 /nfs/dbraw/zinc/49/20/35/1072492035.db2.gz OKRIVXUHYUJFTN-UHFFFAOYSA-N 1 0 381.481 -0.115 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000275976477 1072493161 /nfs/dbraw/zinc/49/31/61/1072493161.db2.gz DIMFPFSAVTZKNV-ROUUACIJSA-N 1 0 390.484 -0.283 20 0 GBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000275989594 1072502092 /nfs/dbraw/zinc/50/20/92/1072502092.db2.gz XIKJTPMEEQCWAC-AWEZNQCLSA-N 1 0 387.440 -0.836 20 0 GBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000275989597 1072502555 /nfs/dbraw/zinc/50/25/55/1072502555.db2.gz XIKJTPMEEQCWAC-CQSZACIVSA-N 1 0 387.440 -0.836 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000275995091 1072504708 /nfs/dbraw/zinc/50/47/08/1072504708.db2.gz VNHCATDYSCTPQK-UHFFFAOYSA-N 1 0 378.473 -0.424 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1Cl ZINC000275995962 1072505786 /nfs/dbraw/zinc/50/57/86/1072505786.db2.gz YFTFURHPTQJZTA-UHFFFAOYSA-N 1 0 386.836 -0.163 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000276000877 1072516821 /nfs/dbraw/zinc/51/68/21/1072516821.db2.gz WAXPKGJRMXFGNT-UHFFFAOYSA-N 1 0 392.500 -0.034 20 0 GBADRO NC(=O)COCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000276004367 1072520749 /nfs/dbraw/zinc/52/07/49/1072520749.db2.gz ZNQBDWYHSDZAFD-UHFFFAOYSA-N 1 0 394.497 -0.166 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000276013418 1072530931 /nfs/dbraw/zinc/53/09/31/1072530931.db2.gz XKSGCPVUIHTPPI-UHFFFAOYSA-N 1 0 378.473 -0.030 20 0 GBADRO COC(=O)c1scc(C)c1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000276022845 1072534977 /nfs/dbraw/zinc/53/49/77/1072534977.db2.gz KRSPIQCKRMFTQS-GFCCVEGCSA-N 1 0 399.469 -0.067 20 0 GBADRO COC(=O)c1scc(C)c1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000276022851 1072534927 /nfs/dbraw/zinc/53/49/27/1072534927.db2.gz KRSPIQCKRMFTQS-LBPRGKRZSA-N 1 0 399.469 -0.067 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000276025961 1072536601 /nfs/dbraw/zinc/53/66/01/1072536601.db2.gz LAPNEXWATVSFPX-KRWDZBQOSA-N 1 0 378.473 -0.162 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000276025963 1072536805 /nfs/dbraw/zinc/53/68/05/1072536805.db2.gz LAPNEXWATVSFPX-QGZVFWFLSA-N 1 0 378.473 -0.162 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000276031674 1072540762 /nfs/dbraw/zinc/54/07/62/1072540762.db2.gz BYFMIHQQIBSTJN-UHFFFAOYSA-N 1 0 382.486 -0.071 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000276050200 1072548718 /nfs/dbraw/zinc/54/87/18/1072548718.db2.gz KAJDQPCWZVPKTL-IRXDYDNUSA-N 1 0 376.457 -0.279 20 0 GBADRO CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000276051840 1072548342 /nfs/dbraw/zinc/54/83/42/1072548342.db2.gz BKLIMLRGJVZWQU-UHFFFAOYSA-N 1 0 390.488 -0.240 20 0 GBADRO O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000276057995 1072549737 /nfs/dbraw/zinc/54/97/37/1072549737.db2.gz CDXXSAKRORZPAX-UHFFFAOYSA-N 1 0 386.500 -0.129 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCS(=O)(=O)NC)c2)CC1 ZINC000276065678 1072551686 /nfs/dbraw/zinc/55/16/86/1072551686.db2.gz GICUKIZULXUHED-UHFFFAOYSA-N 1 0 397.501 -0.568 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NN3CC(=O)N(C)C3=O)c2)CC1 ZINC000276075638 1072553488 /nfs/dbraw/zinc/55/34/88/1072553488.db2.gz LVOXHBJDIPLDHE-UHFFFAOYSA-N 1 0 388.428 -0.308 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000276098560 1072559437 /nfs/dbraw/zinc/55/94/37/1072559437.db2.gz QKYUJRMQPODHJK-GOSISDBHSA-N 1 0 392.500 -0.119 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000276098563 1072559613 /nfs/dbraw/zinc/55/96/13/1072559613.db2.gz QKYUJRMQPODHJK-SFHVURJKSA-N 1 0 392.500 -0.119 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000276104915 1072561310 /nfs/dbraw/zinc/56/13/10/1072561310.db2.gz WVZIRRSTYLPDHV-AWEZNQCLSA-N 1 0 376.461 -0.003 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000276104917 1072561725 /nfs/dbraw/zinc/56/17/25/1072561725.db2.gz WVZIRRSTYLPDHV-CQSZACIVSA-N 1 0 376.461 -0.003 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCN(C(C)=O)CC3)C2)n1 ZINC000276111385 1072562497 /nfs/dbraw/zinc/56/24/97/1072562497.db2.gz XCAAFPIWNDZIAK-GDBMZVCRSA-N 1 0 390.488 -0.041 20 0 GBADRO CNC(=O)c1ccn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCN(C(C)=O)CC3)C2)n1 ZINC000276111389 1072562103 /nfs/dbraw/zinc/56/21/03/1072562103.db2.gz XCAAFPIWNDZIAK-GOEBONIOSA-N 1 0 390.488 -0.041 20 0 GBADRO CNC(=O)c1ccn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CCN(C(C)=O)CC3)C2)n1 ZINC000276111391 1072562603 /nfs/dbraw/zinc/56/26/03/1072562603.db2.gz XCAAFPIWNDZIAK-HOCLYGCPSA-N 1 0 390.488 -0.041 20 0 GBADRO CNC(=O)c1ccn([C@H]2CCC[N@@H+]([C@H](C)C(=O)N3CCN(C(C)=O)CC3)C2)n1 ZINC000276111395 1072562749 /nfs/dbraw/zinc/56/27/49/1072562749.db2.gz XCAAFPIWNDZIAK-ZBFHGGJFSA-N 1 0 390.488 -0.041 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000276115627 1072562206 /nfs/dbraw/zinc/56/22/06/1072562206.db2.gz XVTAUFUYRRIOKL-CVEARBPZSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276115630 1072562083 /nfs/dbraw/zinc/56/20/83/1072562083.db2.gz XVTAUFUYRRIOKL-HOTGVXAUSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000276115634 1072562180 /nfs/dbraw/zinc/56/21/80/1072562180.db2.gz XVTAUFUYRRIOKL-HZPDHXFCSA-N 1 0 384.502 -0.282 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276115637 1072562576 /nfs/dbraw/zinc/56/25/76/1072562576.db2.gz XVTAUFUYRRIOKL-JKSUJKDBSA-N 1 0 384.502 -0.282 20 0 GBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000276116292 1072562263 /nfs/dbraw/zinc/56/22/63/1072562263.db2.gz HFQHMHRKZDCTHY-UHFFFAOYSA-N 1 0 392.500 -0.178 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000276122962 1072563288 /nfs/dbraw/zinc/56/32/88/1072563288.db2.gz LYYHLBIGHFMXEC-UHFFFAOYSA-N 1 0 397.501 -0.568 20 0 GBADRO COCCOCCOCC[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000276123744 1072563241 /nfs/dbraw/zinc/56/32/41/1072563241.db2.gz BWUJDHVFBVPFCL-UHFFFAOYSA-N 1 0 397.476 -0.565 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000276143639 1072568655 /nfs/dbraw/zinc/56/86/55/1072568655.db2.gz AZRLVUAEDMXCGS-KBPBESRZSA-N 1 0 395.504 -0.425 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000276143640 1072568435 /nfs/dbraw/zinc/56/84/35/1072568435.db2.gz AZRLVUAEDMXCGS-KGLIPLIRSA-N 1 0 395.504 -0.425 20 0 GBADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000276143642 1072568352 /nfs/dbraw/zinc/56/83/52/1072568352.db2.gz AZRLVUAEDMXCGS-UONOGXRCSA-N 1 0 395.504 -0.425 20 0 GBADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000276143643 1072568795 /nfs/dbraw/zinc/56/87/95/1072568795.db2.gz AZRLVUAEDMXCGS-ZIAGYGMSSA-N 1 0 395.504 -0.425 20 0 GBADRO CCN1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000276150256 1072570521 /nfs/dbraw/zinc/57/05/21/1072570521.db2.gz BWTREOPLVUSSBF-UHFFFAOYSA-N 1 0 396.513 -0.063 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000276156332 1072572839 /nfs/dbraw/zinc/57/28/39/1072572839.db2.gz PDOJGDVKWVJBPY-UHFFFAOYSA-N 1 0 382.486 -0.071 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c(=O)[nH]c1=O ZINC000276160221 1072573922 /nfs/dbraw/zinc/57/39/22/1072573922.db2.gz GQRLXLLLMVJMET-CHWSQXEVSA-N 1 0 399.492 -0.252 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c(=O)[nH]c1=O ZINC000276160223 1072573718 /nfs/dbraw/zinc/57/37/18/1072573718.db2.gz GQRLXLLLMVJMET-OLZOCXBDSA-N 1 0 399.492 -0.252 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000276160225 1072573772 /nfs/dbraw/zinc/57/37/72/1072573772.db2.gz GQRLXLLLMVJMET-QWHCGFSZSA-N 1 0 399.492 -0.252 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000276160228 1072573820 /nfs/dbraw/zinc/57/38/20/1072573820.db2.gz GQRLXLLLMVJMET-STQMWFEESA-N 1 0 399.492 -0.252 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276183823 1072581626 /nfs/dbraw/zinc/58/16/26/1072581626.db2.gz MFUPYDULKJRHMA-HNNXBMFYSA-N 1 0 387.440 -0.706 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276183827 1072581747 /nfs/dbraw/zinc/58/17/47/1072581747.db2.gz MFUPYDULKJRHMA-OAHLLOKOSA-N 1 0 387.440 -0.706 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000276203228 1072584591 /nfs/dbraw/zinc/58/45/91/1072584591.db2.gz GBPGPSJXTUKQHU-UHFFFAOYSA-N 1 0 390.444 -0.629 20 0 GBADRO Cn1c2ncn(CC(=O)NCc3ccc(CC[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000276218096 1072588328 /nfs/dbraw/zinc/58/83/28/1072588328.db2.gz IMHKTQJOHVJYNT-UHFFFAOYSA-N 1 0 398.467 -0.146 20 0 GBADRO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@H](C)O ZINC000276220669 1072590008 /nfs/dbraw/zinc/59/00/08/1072590008.db2.gz QLDBEDJGXUGPCD-CVEARBPZSA-N 1 0 399.513 -0.417 20 0 GBADRO C[C@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H](C)CO ZINC000276220670 1072590193 /nfs/dbraw/zinc/59/01/93/1072590193.db2.gz QLDBEDJGXUGPCD-HOTGVXAUSA-N 1 0 399.513 -0.417 20 0 GBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H](C)CO ZINC000276220671 1072590112 /nfs/dbraw/zinc/59/01/12/1072590112.db2.gz QLDBEDJGXUGPCD-HZPDHXFCSA-N 1 0 399.513 -0.417 20 0 GBADRO C[C@@H](O)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H](C)CO ZINC000276220672 1072589792 /nfs/dbraw/zinc/58/97/92/1072589792.db2.gz QLDBEDJGXUGPCD-JKSUJKDBSA-N 1 0 399.513 -0.417 20 0 GBADRO C[NH+](C)CCc1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000276222553 1072590081 /nfs/dbraw/zinc/59/00/81/1072590081.db2.gz JEYVCFCKCJTUMJ-UHFFFAOYSA-N 1 0 382.530 -0.016 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276229773 1072590175 /nfs/dbraw/zinc/59/01/75/1072590175.db2.gz PQOGHALGSZRMJN-HNNXBMFYSA-N 1 0 387.440 -0.312 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276229779 1072589949 /nfs/dbraw/zinc/58/99/49/1072589949.db2.gz PQOGHALGSZRMJN-OAHLLOKOSA-N 1 0 387.440 -0.312 20 0 GBADRO 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/nfs/dbraw/zinc/59/28/16/1072592816.db2.gz RJLNGWTXOGBTDH-OAHLLOKOSA-N 1 0 387.440 -0.312 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000276256597 1072592899 /nfs/dbraw/zinc/59/28/99/1072592899.db2.gz MTCNVIGMOYVJMN-UHFFFAOYSA-N 1 0 396.492 -0.226 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC000276261109 1072593721 /nfs/dbraw/zinc/59/37/21/1072593721.db2.gz OTRJQSOWCUHQOO-UHFFFAOYSA-N 1 0 386.456 -0.149 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000276261291 1072593959 /nfs/dbraw/zinc/59/39/59/1072593959.db2.gz ZZMTYYCHTFLTNK-IRXDYDNUSA-N 1 0 376.457 -0.673 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC000276263264 1072593688 /nfs/dbraw/zinc/59/36/88/1072593688.db2.gz PCRLOKINFHIOJZ-UHFFFAOYSA-N 1 0 392.485 -0.088 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000276264599 1072594001 /nfs/dbraw/zinc/59/40/01/1072594001.db2.gz ZTNDJFZDQKAYCO-UHFFFAOYSA-N 1 0 397.501 -0.962 20 0 GBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000276266793 1072594784 /nfs/dbraw/zinc/59/47/84/1072594784.db2.gz GNAUXHHZHIXSEB-CVEARBPZSA-N 1 0 392.500 -0.037 20 0 GBADRO C[C@H](O)CN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)CO ZINC000276266800 1072594842 /nfs/dbraw/zinc/59/48/42/1072594842.db2.gz GNAUXHHZHIXSEB-HOTGVXAUSA-N 1 0 392.500 -0.037 20 0 GBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H](C)CO ZINC000276266806 1072594713 /nfs/dbraw/zinc/59/47/13/1072594713.db2.gz GNAUXHHZHIXSEB-HZPDHXFCSA-N 1 0 392.500 -0.037 20 0 GBADRO C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)CO ZINC000276266813 1072594805 /nfs/dbraw/zinc/59/48/05/1072594805.db2.gz GNAUXHHZHIXSEB-JKSUJKDBSA-N 1 0 392.500 -0.037 20 0 GBADRO COCCOCCOCC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000276296000 1072595966 /nfs/dbraw/zinc/59/59/66/1072595966.db2.gz URNFLNHTTLVYLE-UHFFFAOYSA-N 1 0 383.449 -0.955 20 0 GBADRO CNS(=O)(=O)CCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000276310524 1072598210 /nfs/dbraw/zinc/59/82/10/1072598210.db2.gz SFMHDBZMTBPNIB-UHFFFAOYSA-N 1 0 384.502 -0.008 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000276329088 1072600670 /nfs/dbraw/zinc/60/06/70/1072600670.db2.gz XXURXGIFDVCVEQ-UHFFFAOYSA-N 1 0 376.461 -0.244 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000276342632 1072602727 /nfs/dbraw/zinc/60/27/27/1072602727.db2.gz SPFTTWBKCOOYEK-INIZCTEOSA-N 1 0 396.513 -0.155 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000276342647 1072602631 /nfs/dbraw/zinc/60/26/31/1072602631.db2.gz SPFTTWBKCOOYEK-MRXNPFEDSA-N 1 0 396.513 -0.155 20 0 GBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000276385848 1072612059 /nfs/dbraw/zinc/61/20/59/1072612059.db2.gz JNGRTAKCKNJJDR-HNNXBMFYSA-N 1 0 379.461 -0.720 20 0 GBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000276385849 1072611705 /nfs/dbraw/zinc/61/17/05/1072611705.db2.gz JNGRTAKCKNJJDR-OAHLLOKOSA-N 1 0 379.461 -0.720 20 0 GBADRO CCN(CCC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000276431641 1072620785 /nfs/dbraw/zinc/62/07/85/1072620785.db2.gz KHRRHNJQYHNEDP-UHFFFAOYSA-N 1 0 385.490 -0.274 20 0 GBADRO NC(=O)[C@]1(O)CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000276441101 1072623523 /nfs/dbraw/zinc/62/35/23/1072623523.db2.gz LGVBYCXAPHIRIT-KRWDZBQOSA-N 1 0 399.469 -0.992 20 0 GBADRO NC(=O)[C@@]1(O)CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000276441108 1072623990 /nfs/dbraw/zinc/62/39/90/1072623990.db2.gz LGVBYCXAPHIRIT-QGZVFWFLSA-N 1 0 399.469 -0.992 20 0 GBADRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000276460274 1072626568 /nfs/dbraw/zinc/62/65/68/1072626568.db2.gz NPYGQALALGYWPR-UHFFFAOYSA-N 1 0 376.461 -0.232 20 0 GBADRO CC[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@@H+]1C[C@@H](C)O ZINC000276469810 1072152800 /nfs/dbraw/zinc/15/28/00/1072152800.db2.gz DLEVEZWZDXMXTR-CABCVRRESA-N 1 0 375.473 -0.065 20 0 GBADRO CC[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@@H+]1C[C@H](C)O ZINC000276469833 1072152904 /nfs/dbraw/zinc/15/29/04/1072152904.db2.gz DLEVEZWZDXMXTR-GJZGRUSLSA-N 1 0 375.473 -0.065 20 0 GBADRO CC[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@@H+]1C[C@@H](C)O ZINC000276469851 1072152873 /nfs/dbraw/zinc/15/28/73/1072152873.db2.gz DLEVEZWZDXMXTR-HUUCEWRRSA-N 1 0 375.473 -0.065 20 0 GBADRO CC[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@@H+]1C[C@H](C)O ZINC000276469873 1072152708 /nfs/dbraw/zinc/15/27/08/1072152708.db2.gz DLEVEZWZDXMXTR-LSDHHAIUSA-N 1 0 375.473 -0.065 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000276475432 1072153072 /nfs/dbraw/zinc/15/30/72/1072153072.db2.gz FGKHXFBGPHJCMB-UHFFFAOYSA-N 1 0 375.473 -0.017 20 0 GBADRO CCN(CCC[NH+](CC)CC)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000276489963 1072154692 /nfs/dbraw/zinc/15/46/92/1072154692.db2.gz SEUNTQLFKZDQQD-UHFFFAOYSA-N 1 0 387.506 -0.028 20 0 GBADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587594 1072178451 /nfs/dbraw/zinc/17/84/51/1072178451.db2.gz FZFUJSOUCCWAGA-GXTWGEPZSA-N 1 0 382.486 -0.079 20 0 GBADRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587597 1072178536 /nfs/dbraw/zinc/17/85/36/1072178536.db2.gz FZFUJSOUCCWAGA-JSGCOSHPSA-N 1 0 382.486 -0.079 20 0 GBADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587599 1072178263 /nfs/dbraw/zinc/17/82/63/1072178263.db2.gz FZFUJSOUCCWAGA-OCCSQVGLSA-N 1 0 382.486 -0.079 20 0 GBADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000276587601 1072178526 /nfs/dbraw/zinc/17/85/26/1072178526.db2.gz FZFUJSOUCCWAGA-TZMCWYRMSA-N 1 0 382.486 -0.079 20 0 GBADRO COc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N2CCOCC2)cc1OC ZINC000276609860 1072182841 /nfs/dbraw/zinc/18/28/41/1072182841.db2.gz HEVSAHJRYWDMAG-BZUAXINKSA-N 1 0 379.457 -0.084 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000276617298 530240356 /nfs/dbraw/zinc/24/03/56/530240356.db2.gz DQNNWSZFXHQNET-UHFFFAOYSA-N 1 0 376.504 -0.880 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276624147 1072184223 /nfs/dbraw/zinc/18/42/23/1072184223.db2.gz MVUJEXXAWZEYRJ-UHFFFAOYSA-N 1 0 386.496 -0.009 20 0 GBADRO O=C(CN1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000276624454 1072184261 /nfs/dbraw/zinc/18/42/61/1072184261.db2.gz MZMCXZBEPSGIPR-UHFFFAOYSA-N 1 0 386.496 -0.009 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000276664968 530240363 /nfs/dbraw/zinc/24/03/63/530240363.db2.gz JWMFHARMVMPTFQ-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000276674622 530240396 /nfs/dbraw/zinc/24/03/96/530240396.db2.gz KUQJDUJSTIYOGU-UHFFFAOYSA-N 1 0 379.479 -0.245 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000276710058 530240425 /nfs/dbraw/zinc/24/04/25/530240425.db2.gz OSVJOEUWAVMMJZ-UHFFFAOYSA-N 1 0 379.479 -0.245 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000276714520 1072199933 /nfs/dbraw/zinc/19/99/33/1072199933.db2.gz DGTBLLASSWLZOP-HNNXBMFYSA-N 1 0 397.497 -0.521 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CC1=O ZINC000276714528 1072200250 /nfs/dbraw/zinc/20/02/50/1072200250.db2.gz DGTBLLASSWLZOP-OAHLLOKOSA-N 1 0 397.497 -0.521 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC000276715820 1072200898 /nfs/dbraw/zinc/20/08/98/1072200898.db2.gz RDFBYAOZOKRYEV-CABCVRRESA-N 1 0 390.488 -0.075 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC000276715825 1072201072 /nfs/dbraw/zinc/20/10/72/1072201072.db2.gz RDFBYAOZOKRYEV-GJZGRUSLSA-N 1 0 390.488 -0.075 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC000276715830 1072200977 /nfs/dbraw/zinc/20/09/77/1072200977.db2.gz RDFBYAOZOKRYEV-HUUCEWRRSA-N 1 0 390.488 -0.075 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC000276715835 1072201105 /nfs/dbraw/zinc/20/11/05/1072201105.db2.gz RDFBYAOZOKRYEV-LSDHHAIUSA-N 1 0 390.488 -0.075 20 0 GBADRO O=C(COc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)NC[C@H]1CCCO1 ZINC000276716955 1072201089 /nfs/dbraw/zinc/20/10/89/1072201089.db2.gz ZHADYIYICVQFLU-BZUAXINKSA-N 1 0 377.441 -0.300 20 0 GBADRO O=C(COc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)NC[C@@H]1CCCO1 ZINC000276716960 1072201145 /nfs/dbraw/zinc/20/11/45/1072201145.db2.gz ZHADYIYICVQFLU-OWCLPIDISA-N 1 0 377.441 -0.300 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)C[NH+]1CCCC1)c(=O)n2C ZINC000276739867 1072208390 /nfs/dbraw/zinc/20/83/90/1072208390.db2.gz OCUGOFNLVXXOPE-UHFFFAOYSA-N 1 0 376.461 -0.328 20 0 GBADRO Cn1c2ncn(CC(=O)NCC(C)(C)C[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000276741634 1072208816 /nfs/dbraw/zinc/20/88/16/1072208816.db2.gz OJKFZACYHQQWIB-UHFFFAOYSA-N 1 0 376.461 -0.328 20 0 GBADRO CC(C)(CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C[NH+]1CCCC1 ZINC000276758842 1072212810 /nfs/dbraw/zinc/21/28/10/1072212810.db2.gz FXOQHFVEDJVWGN-UHFFFAOYSA-N 1 0 385.490 -0.370 20 0 GBADRO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000276783638 1072222489 /nfs/dbraw/zinc/22/24/89/1072222489.db2.gz XDDZSHHSBQLJDT-CYBMUJFWSA-N 1 0 379.482 -0.250 20 0 GBADRO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000276783640 1072222510 /nfs/dbraw/zinc/22/25/10/1072222510.db2.gz XDDZSHHSBQLJDT-ZDUSSCGKSA-N 1 0 379.482 -0.250 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)OCO2 ZINC000276795273 1072224495 /nfs/dbraw/zinc/22/44/95/1072224495.db2.gz CBZZCXGGCXFAAK-KRWDZBQOSA-N 1 0 381.385 -0.431 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)OCO2 ZINC000276795277 1072224412 /nfs/dbraw/zinc/22/44/12/1072224412.db2.gz CBZZCXGGCXFAAK-QGZVFWFLSA-N 1 0 381.385 -0.431 20 0 GBADRO Cc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000276822127 530240712 /nfs/dbraw/zinc/24/07/12/530240712.db2.gz NMUHFFXCARLQQL-UHFFFAOYSA-N 1 0 391.515 -0.144 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)OCO2 ZINC000276826483 1072231155 /nfs/dbraw/zinc/23/11/55/1072231155.db2.gz GAHNTOSDVGDKJW-LLVKDONJSA-N 1 0 392.412 -0.498 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)OCO2 ZINC000276826486 1072231044 /nfs/dbraw/zinc/23/10/44/1072231044.db2.gz GAHNTOSDVGDKJW-NSHDSACASA-N 1 0 392.412 -0.498 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276902983 1072241504 /nfs/dbraw/zinc/24/15/04/1072241504.db2.gz PDKZXSVEXZEUNW-UHFFFAOYSA-N 1 0 381.385 -0.117 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276919270 1072243123 /nfs/dbraw/zinc/24/31/23/1072243123.db2.gz RHHMYGSRGNFIPM-UHFFFAOYSA-N 1 0 381.385 -0.165 20 0 GBADRO CO[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1OC ZINC000276931932 1072246382 /nfs/dbraw/zinc/24/63/82/1072246382.db2.gz TVYCSMPGBMAQHX-IYBDPMFKSA-N 1 0 385.486 -0.272 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC(CO)CO)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000276947945 1072248149 /nfs/dbraw/zinc/24/81/49/1072248149.db2.gz KRVLEXYSYNVVGG-UHFFFAOYSA-N 1 0 378.473 -0.067 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C1 ZINC000276959625 1072248871 /nfs/dbraw/zinc/24/88/71/1072248871.db2.gz WZKXLIAMTUBWJP-LLVKDONJSA-N 1 0 393.396 -0.023 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C1 ZINC000276959629 1072249047 /nfs/dbraw/zinc/24/90/47/1072249047.db2.gz WZKXLIAMTUBWJP-NSHDSACASA-N 1 0 393.396 -0.023 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1)OCO2 ZINC000276971108 1072250585 /nfs/dbraw/zinc/25/05/85/1072250585.db2.gz YBKXFBVKPWAAHE-UHFFFAOYSA-N 1 0 393.396 -0.287 20 0 GBADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276979166 1072253226 /nfs/dbraw/zinc/25/32/26/1072253226.db2.gz YXZXRZOASUNFDH-UHFFFAOYSA-N 1 0 385.486 -0.026 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276981783 1072256002 /nfs/dbraw/zinc/25/60/02/1072256002.db2.gz ZKXRFTFPHGLNNV-UHFFFAOYSA-N 1 0 381.385 -0.429 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000276999511 1072262092 /nfs/dbraw/zinc/26/20/92/1072262092.db2.gz YJLZVIJKMYCYAW-HNNXBMFYSA-N 1 0 385.486 -0.028 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000276999514 1072261939 /nfs/dbraw/zinc/26/19/39/1072261939.db2.gz YJLZVIJKMYCYAW-OAHLLOKOSA-N 1 0 385.486 -0.028 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@H](O)CO)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000277046390 1072264751 /nfs/dbraw/zinc/26/47/51/1072264751.db2.gz ULHLKTHAKYQMAB-KRWDZBQOSA-N 1 0 378.473 -0.067 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@@H](O)CO)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000277046394 1072264660 /nfs/dbraw/zinc/26/46/60/1072264660.db2.gz ULHLKTHAKYQMAB-QGZVFWFLSA-N 1 0 378.473 -0.067 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000277059113 1072264701 /nfs/dbraw/zinc/26/47/01/1072264701.db2.gz GZYCHNTVZANBRL-UHFFFAOYSA-N 1 0 385.490 -0.365 20 0 GBADRO Cn1c2ncn(CCC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000277094547 1072266098 /nfs/dbraw/zinc/26/60/98/1072266098.db2.gz BRROVJSEVOHXFE-CYBMUJFWSA-N 1 0 376.461 -0.234 20 0 GBADRO Cn1c2ncn(CCC(=O)N3CCC[C@H]([NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000277094551 1072266327 /nfs/dbraw/zinc/26/63/27/1072266327.db2.gz BRROVJSEVOHXFE-ZDUSSCGKSA-N 1 0 376.461 -0.234 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000277097399 1072266431 /nfs/dbraw/zinc/26/64/31/1072266431.db2.gz KWAJZPLLPRPHRG-UHFFFAOYSA-N 1 0 395.445 -0.846 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000277171037 1072275966 /nfs/dbraw/zinc/27/59/66/1072275966.db2.gz SZCSDHUQHXCTPW-UHFFFAOYSA-N 1 0 399.517 -0.322 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000277181161 1072278689 /nfs/dbraw/zinc/27/86/89/1072278689.db2.gz SFYWMOUEYCVXNU-FQEVSTJZSA-N 1 0 388.468 -0.374 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000277181167 1072278635 /nfs/dbraw/zinc/27/86/35/1072278635.db2.gz SFYWMOUEYCVXNU-HXUWFJFHSA-N 1 0 388.468 -0.374 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000277190492 1072281126 /nfs/dbraw/zinc/28/11/26/1072281126.db2.gz VWDGXKNSBGWKQX-UHFFFAOYSA-N 1 0 399.517 -0.322 20 0 GBADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000277197136 1072282468 /nfs/dbraw/zinc/28/24/68/1072282468.db2.gz WMSOEXPPYWWCFZ-UHFFFAOYSA-N 1 0 399.517 -0.056 20 0 GBADRO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277241296 1072284753 /nfs/dbraw/zinc/28/47/53/1072284753.db2.gz COZNPEOLXJANKW-KRWDZBQOSA-N 1 0 376.457 -0.354 20 0 GBADRO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277241297 1072284482 /nfs/dbraw/zinc/28/44/82/1072284482.db2.gz COZNPEOLXJANKW-QGZVFWFLSA-N 1 0 376.457 -0.354 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394008 1072301575 /nfs/dbraw/zinc/30/15/75/1072301575.db2.gz AUVNFLZLGALARF-CALCHBBNSA-N 1 0 376.457 -0.673 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000277394009 1072301094 /nfs/dbraw/zinc/30/10/94/1072301094.db2.gz AUVNFLZLGALARF-IAGOWNOFSA-N 1 0 376.457 -0.673 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394010 1072301073 /nfs/dbraw/zinc/30/10/73/1072301073.db2.gz AUVNFLZLGALARF-IRXDYDNUSA-N 1 0 376.457 -0.673 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277413266 1072304152 /nfs/dbraw/zinc/30/41/52/1072304152.db2.gz CJVBLCXEJHYNPU-CALCHBBNSA-N 1 0 376.457 -0.281 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000277413270 1072304515 /nfs/dbraw/zinc/30/45/15/1072304515.db2.gz CJVBLCXEJHYNPU-IAGOWNOFSA-N 1 0 376.457 -0.281 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277413274 1072304076 /nfs/dbraw/zinc/30/40/76/1072304076.db2.gz CJVBLCXEJHYNPU-IRXDYDNUSA-N 1 0 376.457 -0.281 20 0 GBADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277427132 1072306375 /nfs/dbraw/zinc/30/63/75/1072306375.db2.gz DIWSBBJBIWYUQB-BRWVUGGUSA-N 1 0 399.451 -0.167 20 0 GBADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277427134 1072306524 /nfs/dbraw/zinc/30/65/24/1072306524.db2.gz DIWSBBJBIWYUQB-IKGGRYGDSA-N 1 0 399.451 -0.167 20 0 GBADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277427138 1072306099 /nfs/dbraw/zinc/30/60/99/1072306099.db2.gz DIWSBBJBIWYUQB-YESZJQIVSA-N 1 0 399.451 -0.167 20 0 GBADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277427142 1072306234 /nfs/dbraw/zinc/30/62/34/1072306234.db2.gz DIWSBBJBIWYUQB-ZACQAIPSSA-N 1 0 399.451 -0.167 20 0 GBADRO COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N2CCOCC2)cc1OC ZINC000277447878 1072308328 /nfs/dbraw/zinc/30/83/28/1072308328.db2.gz HEVSAHJRYWDMAG-ARFHVFGLSA-N 1 0 379.457 -0.084 20 0 GBADRO CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1OC ZINC000277449386 1072307847 /nfs/dbraw/zinc/30/78/47/1072307847.db2.gz GBSJGZBUOKNRRH-GASCZTMLSA-N 1 0 395.456 -0.082 20 0 GBADRO CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)ccc1OC ZINC000277449388 1072307964 /nfs/dbraw/zinc/30/79/64/1072307964.db2.gz GBSJGZBUOKNRRH-GJZGRUSLSA-N 1 0 395.456 -0.082 20 0 GBADRO CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)ccc1OC ZINC000277449390 1072308284 /nfs/dbraw/zinc/30/82/84/1072308284.db2.gz GBSJGZBUOKNRRH-HUUCEWRRSA-N 1 0 395.456 -0.082 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000277457536 1072310407 /nfs/dbraw/zinc/31/04/07/1072310407.db2.gz GUXPGWOSCSIFPB-UHFFFAOYSA-N 1 0 375.433 -0.352 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000277468314 1072311066 /nfs/dbraw/zinc/31/10/66/1072311066.db2.gz MGZMMGLJHIWOAE-HNNXBMFYSA-N 1 0 388.424 -0.186 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000277468317 1072310686 /nfs/dbraw/zinc/31/06/86/1072310686.db2.gz MGZMMGLJHIWOAE-OAHLLOKOSA-N 1 0 388.424 -0.186 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC000277473908 1072312483 /nfs/dbraw/zinc/31/24/83/1072312483.db2.gz IBPCTIIUGXLJBJ-CALCHBBNSA-N 1 0 394.447 -0.141 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2F)CC1 ZINC000277473910 1072312704 /nfs/dbraw/zinc/31/27/04/1072312704.db2.gz IBPCTIIUGXLJBJ-IAGOWNOFSA-N 1 0 394.447 -0.141 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2F)CC1 ZINC000277473913 1072312709 /nfs/dbraw/zinc/31/27/09/1072312709.db2.gz IBPCTIIUGXLJBJ-IRXDYDNUSA-N 1 0 394.447 -0.141 20 0 GBADRO CN(c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000277486362 1072315353 /nfs/dbraw/zinc/31/53/53/1072315353.db2.gz JCLCQHWLYGNKQI-CALCHBBNSA-N 1 0 376.457 -0.281 20 0 GBADRO CN(c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000277486366 1072315571 /nfs/dbraw/zinc/31/55/71/1072315571.db2.gz JCLCQHWLYGNKQI-IAGOWNOFSA-N 1 0 376.457 -0.281 20 0 GBADRO CN(c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1)C1CC[NH+](C)CC1 ZINC000277486369 1072315152 /nfs/dbraw/zinc/31/51/52/1072315152.db2.gz JCLCQHWLYGNKQI-IRXDYDNUSA-N 1 0 376.457 -0.281 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCCO1 ZINC000277489215 1072316025 /nfs/dbraw/zinc/31/60/25/1072316025.db2.gz JJHHURINDFZFQD-CYBMUJFWSA-N 1 0 392.460 -0.949 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCCO1 ZINC000277489218 1072316050 /nfs/dbraw/zinc/31/60/50/1072316050.db2.gz JJHHURINDFZFQD-ZDUSSCGKSA-N 1 0 392.460 -0.949 20 0 GBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)CC1 ZINC000277490908 1072317611 /nfs/dbraw/zinc/31/76/11/1072317611.db2.gz JLZIRPKCDXBVEP-HOTGVXAUSA-N 1 0 396.875 -0.016 20 0 GBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)CC1 ZINC000277490913 1072317392 /nfs/dbraw/zinc/31/73/92/1072317392.db2.gz JLZIRPKCDXBVEP-HZPDHXFCSA-N 1 0 396.875 -0.016 20 0 GBADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000277490917 1072317233 /nfs/dbraw/zinc/31/72/33/1072317233.db2.gz JLZIRPKCDXBVEP-IYBDPMFKSA-N 1 0 396.875 -0.016 20 0 GBADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277541213 1072335767 /nfs/dbraw/zinc/33/57/67/1072335767.db2.gz NKAZQKIOAABDNV-HDICACEKSA-N 1 0 390.484 -0.033 20 0 GBADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000277541219 1072335942 /nfs/dbraw/zinc/33/59/42/1072335942.db2.gz NKAZQKIOAABDNV-QZTJIDSGSA-N 1 0 390.484 -0.033 20 0 GBADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277541225 1072336003 /nfs/dbraw/zinc/33/60/03/1072336003.db2.gz NKAZQKIOAABDNV-ROUUACIJSA-N 1 0 390.484 -0.033 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277555124 1072339835 /nfs/dbraw/zinc/33/98/35/1072339835.db2.gz OQOKDBXXWNEOOL-HOTGVXAUSA-N 1 0 392.456 -0.660 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277555129 1072339539 /nfs/dbraw/zinc/33/95/39/1072339539.db2.gz OQOKDBXXWNEOOL-HZPDHXFCSA-N 1 0 392.456 -0.660 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277555133 1072340354 /nfs/dbraw/zinc/34/03/54/1072340354.db2.gz OQOKDBXXWNEOOL-IYBDPMFKSA-N 1 0 392.456 -0.660 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000277562667 1072342870 /nfs/dbraw/zinc/34/28/70/1072342870.db2.gz WDERSCQDQNLJEF-UHFFFAOYSA-N 1 0 375.433 -0.088 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000277578718 1072348988 /nfs/dbraw/zinc/34/89/88/1072348988.db2.gz OIBFHRHUSARSJQ-UHFFFAOYSA-N 1 0 397.545 -0.004 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000277583420 1072350078 /nfs/dbraw/zinc/35/00/78/1072350078.db2.gz OPRLDQMWGZCITP-UHFFFAOYSA-N 1 0 398.533 -0.458 20 0 GBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277614489 1072356943 /nfs/dbraw/zinc/35/69/43/1072356943.db2.gz VRAUOTDBZIRHKY-HDICACEKSA-N 1 0 388.468 -0.279 20 0 GBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277614493 1072357083 /nfs/dbraw/zinc/35/70/83/1072357083.db2.gz VRAUOTDBZIRHKY-QZTJIDSGSA-N 1 0 388.468 -0.279 20 0 GBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277614496 1072357581 /nfs/dbraw/zinc/35/75/81/1072357581.db2.gz VRAUOTDBZIRHKY-ROUUACIJSA-N 1 0 388.468 -0.279 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000277628365 1072358037 /nfs/dbraw/zinc/35/80/37/1072358037.db2.gz WXWVTMPRMCCGAY-HOTGVXAUSA-N 1 0 392.456 -0.739 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 ZINC000277628371 1072358309 /nfs/dbraw/zinc/35/83/09/1072358309.db2.gz WXWVTMPRMCCGAY-HZPDHXFCSA-N 1 0 392.456 -0.739 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000277628376 1072358051 /nfs/dbraw/zinc/35/80/51/1072358051.db2.gz WXWVTMPRMCCGAY-IYBDPMFKSA-N 1 0 392.456 -0.739 20 0 GBADRO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000277630390 1072358317 /nfs/dbraw/zinc/35/83/17/1072358317.db2.gz BEGDYDMIBRQGCZ-HOTGVXAUSA-N 1 0 379.461 -0.272 20 0 GBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000277637561 1072360634 /nfs/dbraw/zinc/36/06/34/1072360634.db2.gz XRADMXCDTSTUNH-HOTGVXAUSA-N 1 0 379.482 -0.220 20 0 GBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000277637566 1072360674 /nfs/dbraw/zinc/36/06/74/1072360674.db2.gz XRADMXCDTSTUNH-HZPDHXFCSA-N 1 0 379.482 -0.220 20 0 GBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000277637570 1072361099 /nfs/dbraw/zinc/36/10/99/1072361099.db2.gz XRADMXCDTSTUNH-IYBDPMFKSA-N 1 0 379.482 -0.220 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277666206 1072365234 /nfs/dbraw/zinc/36/52/34/1072365234.db2.gz FGSWYDWDAWRNPR-NJAFHUGGSA-N 1 0 399.499 -0.045 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277666209 1072365096 /nfs/dbraw/zinc/36/50/96/1072365096.db2.gz FGSWYDWDAWRNPR-SZMVWBNQSA-N 1 0 399.499 -0.045 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000277672015 1072365956 /nfs/dbraw/zinc/36/59/56/1072365956.db2.gz WFGJQNOJAXAGNW-UHFFFAOYSA-N 1 0 397.545 -0.004 20 0 GBADRO COC(=O)CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1C ZINC000277677057 530242387 /nfs/dbraw/zinc/24/23/87/530242387.db2.gz QAVOMLXWFYAMSN-UHFFFAOYSA-N 1 0 375.495 -0.015 20 0 GBADRO O=C(COc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)NC[C@H]1CCCO1 ZINC000277761016 1072378747 /nfs/dbraw/zinc/37/87/47/1072378747.db2.gz ZHADYIYICVQFLU-ARFHVFGLSA-N 1 0 377.441 -0.300 20 0 GBADRO O=C(COc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)NC[C@@H]1CCCO1 ZINC000277761024 1072379117 /nfs/dbraw/zinc/37/91/17/1072379117.db2.gz ZHADYIYICVQFLU-HRCADAONSA-N 1 0 377.441 -0.300 20 0 GBADRO Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000277796600 1072386534 /nfs/dbraw/zinc/38/65/34/1072386534.db2.gz XNSGCWHNGKORLA-BWDNZLRPSA-N 1 0 381.502 -0.538 20 0 GBADRO Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000277796606 1072386240 /nfs/dbraw/zinc/38/62/40/1072386240.db2.gz XNSGCWHNGKORLA-NGKZDAFWSA-N 1 0 381.502 -0.538 20 0 GBADRO Cn1cc([C@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000277796612 1072386505 /nfs/dbraw/zinc/38/65/05/1072386505.db2.gz XNSGCWHNGKORLA-QVKGSKLNSA-N 1 0 381.502 -0.538 20 0 GBADRO Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000277796618 1072386423 /nfs/dbraw/zinc/38/64/23/1072386423.db2.gz XNSGCWHNGKORLA-YBKWPNDMSA-N 1 0 381.502 -0.538 20 0 GBADRO Cn1c2ncn(CCC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)c2c(=O)n(C)c1=O ZINC000277952295 1072409674 /nfs/dbraw/zinc/40/96/74/1072409674.db2.gz OYTLOFAUWKUTNC-AWEZNQCLSA-N 1 0 388.472 -0.043 20 0 GBADRO Cn1c2ncn(CCC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)c2c(=O)n(C)c1=O ZINC000277952304 1072409578 /nfs/dbraw/zinc/40/95/78/1072409578.db2.gz OYTLOFAUWKUTNC-CQSZACIVSA-N 1 0 388.472 -0.043 20 0 GBADRO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000277998677 1072420963 /nfs/dbraw/zinc/42/09/63/1072420963.db2.gz DHSDEZXUPVGFCL-CADBVGFASA-N 1 0 375.469 -0.033 20 0 GBADRO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000277998684 1072421002 /nfs/dbraw/zinc/42/10/02/1072421002.db2.gz DHSDEZXUPVGFCL-FCGDIQPGSA-N 1 0 375.469 -0.033 20 0 GBADRO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000277998690 1072420891 /nfs/dbraw/zinc/42/08/91/1072420891.db2.gz DHSDEZXUPVGFCL-INDMIFKZSA-N 1 0 375.469 -0.033 20 0 GBADRO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000277998695 1072420849 /nfs/dbraw/zinc/42/08/49/1072420849.db2.gz DHSDEZXUPVGFCL-YDZRNGNQSA-N 1 0 375.469 -0.033 20 0 GBADRO Cc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1S(N)(=O)=O ZINC000278132364 1072442260 /nfs/dbraw/zinc/44/22/60/1072442260.db2.gz WQRGRMZEFVWMKW-AWEZNQCLSA-N 1 0 382.486 -0.331 20 0 GBADRO Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1S(N)(=O)=O ZINC000278132366 1072442306 /nfs/dbraw/zinc/44/23/06/1072442306.db2.gz WQRGRMZEFVWMKW-CQSZACIVSA-N 1 0 382.486 -0.331 20 0 GBADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000278143446 1072444023 /nfs/dbraw/zinc/44/40/23/1072444023.db2.gz BELYHAVFDDISFN-CYBMUJFWSA-N 1 0 384.502 -0.126 20 0 GBADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000278143450 1072444210 /nfs/dbraw/zinc/44/42/10/1072444210.db2.gz BELYHAVFDDISFN-ZDUSSCGKSA-N 1 0 384.502 -0.126 20 0 GBADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000278223405 1072456269 /nfs/dbraw/zinc/45/62/69/1072456269.db2.gz LTEDTMYKQCBHMP-HNNXBMFYSA-N 1 0 383.518 -0.010 20 0 GBADRO C[C@H](C(=O)N(C)C)S(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000278223408 1072457051 /nfs/dbraw/zinc/45/70/51/1072457051.db2.gz LTEDTMYKQCBHMP-OAHLLOKOSA-N 1 0 383.518 -0.010 20 0 GBADRO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000278240384 1072458792 /nfs/dbraw/zinc/45/87/92/1072458792.db2.gz LIBRTRJXRDPTCO-HNNXBMFYSA-N 1 0 397.501 -0.219 20 0 GBADRO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000278240388 1072458627 /nfs/dbraw/zinc/45/86/27/1072458627.db2.gz LIBRTRJXRDPTCO-OAHLLOKOSA-N 1 0 397.501 -0.219 20 0 GBADRO Cc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1S(N)(=O)=O 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/nfs/dbraw/zinc/98/53/40/1073985340.db2.gz UALHMBHJSUGTCU-JCGIZDLHSA-N 1 0 392.504 -0.539 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000280151766 1073985360 /nfs/dbraw/zinc/98/53/60/1073985360.db2.gz AUVOWEHECFETQQ-ZWKOTPCHSA-N 1 0 393.488 -0.065 20 0 GBADRO CC[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000280152974 1073984960 /nfs/dbraw/zinc/98/49/60/1073984960.db2.gz BKYWQZVXCHZHFX-HUHSQHJXSA-N 1 0 393.488 -0.378 20 0 GBADRO CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000280152980 1073985235 /nfs/dbraw/zinc/98/52/35/1073985235.db2.gz BKYWQZVXCHZHFX-LFVTVUPYSA-N 1 0 393.488 -0.378 20 0 GBADRO CC[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000280152984 1073985089 /nfs/dbraw/zinc/98/50/89/1073985089.db2.gz BKYWQZVXCHZHFX-QXRTWZOPSA-N 1 0 393.488 -0.378 20 0 GBADRO CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000280152988 1073985386 /nfs/dbraw/zinc/98/53/86/1073985386.db2.gz BKYWQZVXCHZHFX-UNQWWWNPSA-N 1 0 393.488 -0.378 20 0 GBADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000280208797 1073986030 /nfs/dbraw/zinc/98/60/30/1073986030.db2.gz KIRBKVBRVAQZLP-UHFFFAOYSA-N 1 0 392.481 -0.201 20 0 GBADRO Cn1c2ncn(CC[N@H+](C)[C@@H](CC(N)=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000280227105 1073986940 /nfs/dbraw/zinc/98/69/40/1073986940.db2.gz ADYCMAIBYUOHSV-AWEZNQCLSA-N 1 0 384.440 -0.018 20 0 GBADRO Cn1c2ncn(CC[N@H+](C)[C@H](CC(N)=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000280227112 1073986979 /nfs/dbraw/zinc/98/69/79/1073986979.db2.gz ADYCMAIBYUOHSV-CQSZACIVSA-N 1 0 384.440 -0.018 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)NCCN3CCC([NH+](C)C)CC3)OCC(=O)N2C)cn1 ZINC000280283307 1073987837 /nfs/dbraw/zinc/98/78/37/1073987837.db2.gz GBJVGYRMWKRLEI-ZWKOTPCHSA-N 1 0 392.504 -0.539 20 0 GBADRO COC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000280330350 1073989491 /nfs/dbraw/zinc/98/94/91/1073989491.db2.gz VGWWALHNNKBLPF-AWEZNQCLSA-N 1 0 387.502 -0.038 20 0 GBADRO COC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000280330355 1073989784 /nfs/dbraw/zinc/98/97/84/1073989784.db2.gz VGWWALHNNKBLPF-CQSZACIVSA-N 1 0 387.502 -0.038 20 0 GBADRO C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000280335299 1073989842 /nfs/dbraw/zinc/98/98/42/1073989842.db2.gz HYRRVBXXWQHQOZ-ACJLOTCBSA-N 1 0 377.445 -0.296 20 0 GBADRO C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000280335300 1073990015 /nfs/dbraw/zinc/99/00/15/1073990015.db2.gz HYRRVBXXWQHQOZ-FZKQIMNGSA-N 1 0 377.445 -0.296 20 0 GBADRO C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@]2(CCOC2)O1 ZINC000280335301 1073989535 /nfs/dbraw/zinc/98/95/35/1073989535.db2.gz HYRRVBXXWQHQOZ-SCLBCKFNSA-N 1 0 377.445 -0.296 20 0 GBADRO C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@]2(CCOC2)O1 ZINC000280335303 1073989717 /nfs/dbraw/zinc/98/97/17/1073989717.db2.gz HYRRVBXXWQHQOZ-UGSOOPFHSA-N 1 0 377.445 -0.296 20 0 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ZINC000280380961 1073991333 /nfs/dbraw/zinc/99/13/33/1073991333.db2.gz HRWPRDFNPJEHBT-QGZVFWFLSA-N 1 0 378.473 -0.114 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)N3CC[NH+](C4CCOCC4)CC3)OCC(=O)N2C)cn1 ZINC000280397104 1073991765 /nfs/dbraw/zinc/99/17/65/1073991765.db2.gz KQSPXXPQFNXZAS-ZWKOTPCHSA-N 1 0 391.472 -0.358 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280401120 1073991593 /nfs/dbraw/zinc/99/15/93/1073991593.db2.gz OBVOAAGYGYFGCZ-BHYGNILZSA-N 1 0 381.477 -0.209 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280401121 1073991566 /nfs/dbraw/zinc/99/15/66/1073991566.db2.gz OBVOAAGYGYFGCZ-HYVNUMGLSA-N 1 0 381.477 -0.209 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)COC)c1 ZINC000280414072 1072153843 /nfs/dbraw/zinc/15/38/43/1072153843.db2.gz KFSDQFFTXVNUPG-INIZCTEOSA-N 1 0 394.472 -0.180 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)COC)c1 ZINC000280414074 1072153827 /nfs/dbraw/zinc/15/38/27/1072153827.db2.gz KFSDQFFTXVNUPG-MRXNPFEDSA-N 1 0 394.472 -0.180 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436491 1072154333 /nfs/dbraw/zinc/15/43/33/1072154333.db2.gz JQZHNUZTDMKGRV-JXFKEZNVSA-N 1 0 392.500 -0.033 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436494 1072154696 /nfs/dbraw/zinc/15/46/96/1072154696.db2.gz JQZHNUZTDMKGRV-OXJNMPFZSA-N 1 0 392.500 -0.033 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436499 1072154659 /nfs/dbraw/zinc/15/46/59/1072154659.db2.gz JQZHNUZTDMKGRV-OXQOHEQNSA-N 1 0 392.500 -0.033 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(=O)c1 ZINC000280436502 1072154481 /nfs/dbraw/zinc/15/44/81/1072154481.db2.gz JQZHNUZTDMKGRV-UZLBHIALSA-N 1 0 392.500 -0.033 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](CO)COC ZINC000280450463 1072153725 /nfs/dbraw/zinc/15/37/25/1072153725.db2.gz NDPIYLDENFGPMD-AWEZNQCLSA-N 1 0 394.472 -0.101 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](CO)COC ZINC000280450465 1072153486 /nfs/dbraw/zinc/15/34/86/1072153486.db2.gz NDPIYLDENFGPMD-CQSZACIVSA-N 1 0 394.472 -0.101 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)OCC(=O)N2C)cn1 ZINC000280458176 1072154291 /nfs/dbraw/zinc/15/42/91/1072154291.db2.gz SEYXBCBPPOKCRC-FHLIZLRMSA-N 1 0 391.472 -0.501 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)OCC(=O)N2C)cn1 ZINC000280458181 1072154585 /nfs/dbraw/zinc/15/45/85/1072154585.db2.gz SEYXBCBPPOKCRC-JCGIZDLHSA-N 1 0 391.472 -0.501 20 0 GBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c(C)c1 ZINC000280460474 1072154723 /nfs/dbraw/zinc/15/47/23/1072154723.db2.gz XGFXFKNKHRSRKB-AWEZNQCLSA-N 1 0 392.456 -0.105 20 0 GBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c(C)c1 ZINC000280460476 1072154643 /nfs/dbraw/zinc/15/46/43/1072154643.db2.gz XGFXFKNKHRSRKB-CQSZACIVSA-N 1 0 392.456 -0.105 20 0 GBADRO Cn1c(N)c(C(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC000280465788 1072154247 /nfs/dbraw/zinc/15/42/47/1072154247.db2.gz ORAPSKXIJMTLAP-IYBDPMFKSA-N 1 0 397.479 -0.087 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c2)CC1 ZINC000280475240 1072155170 /nfs/dbraw/zinc/15/51/70/1072155170.db2.gz ZFOSULCUMSOHCW-UHFFFAOYSA-N 1 0 397.426 -0.130 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000280501997 1072155506 /nfs/dbraw/zinc/15/55/06/1072155506.db2.gz CFTRCMMHUZQEJN-GOSISDBHSA-N 1 0 386.460 -0.791 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000280502001 1072155569 /nfs/dbraw/zinc/15/55/69/1072155569.db2.gz CFTRCMMHUZQEJN-SFHVURJKSA-N 1 0 386.460 -0.791 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC(CC(N)=O)C3)ccc2oc1=O ZINC000280533455 1072156100 /nfs/dbraw/zinc/15/61/00/1072156100.db2.gz UPXKQGFGWYIXBG-UHFFFAOYSA-N 1 0 389.412 -0.572 20 0 GBADRO 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LLZULAZYGDHCOW-XNIJJKJLSA-N 1 0 383.474 -0.128 20 0 GBADRO C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1CC(C)(C)O ZINC000281164648 1073414651 /nfs/dbraw/zinc/41/46/51/1073414651.db2.gz JGAFKNHJOYZKMJ-RRQGHBQHSA-N 1 0 393.488 -0.378 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@@H+]1CC(C)(C)O ZINC000281164655 1073414750 /nfs/dbraw/zinc/41/47/50/1073414750.db2.gz JGAFKNHJOYZKMJ-XOKHGSTOSA-N 1 0 393.488 -0.378 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000281186460 1073414725 /nfs/dbraw/zinc/41/47/25/1073414725.db2.gz RUMZWKHXFHBUKW-UHFFFAOYSA-N 1 0 396.513 -0.079 20 0 GBADRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000281186739 1073415027 /nfs/dbraw/zinc/41/50/27/1073415027.db2.gz NXKOQWXTGXONNC-RSUGUSAISA-N 1 0 378.433 -0.668 20 0 GBADRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000281186755 1073415014 /nfs/dbraw/zinc/41/50/14/1073415014.db2.gz NXKOQWXTGXONNC-YRGUDCOPSA-N 1 0 378.433 -0.668 20 0 GBADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000281191177 1073414579 /nfs/dbraw/zinc/41/45/79/1073414579.db2.gz RKGBDXBQLPYCNL-KRWDZBQOSA-N 1 0 380.470 -0.319 20 0 GBADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000281191181 1073415153 /nfs/dbraw/zinc/41/51/53/1073415153.db2.gz RKGBDXBQLPYCNL-QGZVFWFLSA-N 1 0 380.470 -0.319 20 0 GBADRO CCOC(=O)c1nn(C)cc1CN(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000281209145 1073415703 /nfs/dbraw/zinc/41/57/03/1073415703.db2.gz JPSDYIOXHILDIL-UHFFFAOYSA-N 1 0 381.477 -0.181 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281235789 1073417064 /nfs/dbraw/zinc/41/70/64/1073417064.db2.gz NFPGGNUDRXOLBG-VMPITWQZSA-N 1 0 380.470 -0.420 20 0 GBADRO Cc1nc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nn1-c1nc[nH]n1 ZINC000281256979 1073418026 /nfs/dbraw/zinc/41/80/26/1073418026.db2.gz OSCXVGCZYRWPLC-OAHLLOKOSA-N 1 0 382.428 -0.157 20 0 GBADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281278855 1073417755 /nfs/dbraw/zinc/41/77/55/1073417755.db2.gz WCJBXFFRHISJEL-ACJLOTCBSA-N 1 0 396.513 -0.161 20 0 GBADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281278860 1073417910 /nfs/dbraw/zinc/41/79/10/1073417910.db2.gz WCJBXFFRHISJEL-FZKQIMNGSA-N 1 0 396.513 -0.161 20 0 GBADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281278866 1073418118 /nfs/dbraw/zinc/41/81/18/1073418118.db2.gz WCJBXFFRHISJEL-SCLBCKFNSA-N 1 0 396.513 -0.161 20 0 GBADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281278871 1073417888 /nfs/dbraw/zinc/41/78/88/1073417888.db2.gz WCJBXFFRHISJEL-UGSOOPFHSA-N 1 0 396.513 -0.161 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000281299418 1073419002 /nfs/dbraw/zinc/41/90/02/1073419002.db2.gz RGCGZAOYGTXSLG-UHFFFAOYSA-N 1 0 398.529 -0.333 20 0 GBADRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281300222 1073417810 /nfs/dbraw/zinc/41/78/10/1073417810.db2.gz XCEUDOCSXVARKG-GOSISDBHSA-N 1 0 396.513 -0.159 20 0 GBADRO CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000281300227 1073418101 /nfs/dbraw/zinc/41/81/01/1073418101.db2.gz XCEUDOCSXVARKG-SFHVURJKSA-N 1 0 396.513 -0.159 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCCO1 ZINC000281331463 1073418829 /nfs/dbraw/zinc/41/88/29/1073418829.db2.gz WCUHMNFDKUNTKO-FHLIZLRMSA-N 1 0 393.488 -0.065 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCCO1 ZINC000281331469 1073418932 /nfs/dbraw/zinc/41/89/32/1073418932.db2.gz WCUHMNFDKUNTKO-JCGIZDLHSA-N 1 0 393.488 -0.065 20 0 GBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000281340578 530245361 /nfs/dbraw/zinc/24/53/61/530245361.db2.gz BNICEJDXJSGKFE-UHFFFAOYSA-N 1 0 390.531 -0.211 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281345128 530245428 /nfs/dbraw/zinc/24/54/28/530245428.db2.gz BVFCCAKXTBLWLZ-CYBMUJFWSA-N 1 0 390.531 -0.211 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281345144 530245538 /nfs/dbraw/zinc/24/55/38/530245538.db2.gz BVFCCAKXTBLWLZ-ZDUSSCGKSA-N 1 0 390.531 -0.211 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281348254 530245419 /nfs/dbraw/zinc/24/54/19/530245419.db2.gz VGFFOSCBWIINMO-UHFFFAOYSA-N 1 0 388.877 -0.167 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000281387001 1073421801 /nfs/dbraw/zinc/42/18/01/1073421801.db2.gz HQMTVASRDNIPRO-UHFFFAOYSA-N 1 0 388.472 -0.099 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)NC[C@H](O)C[NH+]3CCCCC3)OCC(=O)N2C)cn1 ZINC000281414451 1073425309 /nfs/dbraw/zinc/42/53/09/1073425309.db2.gz CURYFNSKDZJIAS-BHYGNILZSA-N 1 0 379.461 -0.719 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)NC[C@@H](O)C[NH+]3CCCCC3)OCC(=O)N2C)cn1 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FXAKIVDPBWBHPI-UHFFFAOYSA-N 1 0 378.429 -0.269 20 0 GBADRO Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629630 1073438821 /nfs/dbraw/zinc/43/88/21/1073438821.db2.gz PZHDTUKJBVSOPX-CHWSQXEVSA-N 1 0 389.456 -0.532 20 0 GBADRO Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629637 1073438442 /nfs/dbraw/zinc/43/84/42/1073438442.db2.gz PZHDTUKJBVSOPX-OLZOCXBDSA-N 1 0 389.456 -0.532 20 0 GBADRO Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629647 1073438781 /nfs/dbraw/zinc/43/87/81/1073438781.db2.gz PZHDTUKJBVSOPX-QWHCGFSZSA-N 1 0 389.456 -0.532 20 0 GBADRO Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000281629653 1073438799 /nfs/dbraw/zinc/43/87/99/1073438799.db2.gz PZHDTUKJBVSOPX-STQMWFEESA-N 1 0 389.456 -0.532 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281630099 1073438744 /nfs/dbraw/zinc/43/87/44/1073438744.db2.gz QHZVKGPTDRILIC-UHFFFAOYSA-N 1 0 387.502 -0.050 20 0 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1072645553 /nfs/dbraw/zinc/64/55/53/1072645553.db2.gz KLXDPJSEHXPBAK-UHFFFAOYSA-N 1 0 376.457 -0.335 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000281683836 1073442959 /nfs/dbraw/zinc/44/29/59/1073442959.db2.gz URXJQJDDYIDMSZ-JXFKEZNVSA-N 1 0 390.484 -0.327 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000281683845 1073442333 /nfs/dbraw/zinc/44/23/33/1073442333.db2.gz URXJQJDDYIDMSZ-OXJNMPFZSA-N 1 0 390.484 -0.327 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000281683857 1073442693 /nfs/dbraw/zinc/44/26/93/1073442693.db2.gz URXJQJDDYIDMSZ-OXQOHEQNSA-N 1 0 390.484 -0.327 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000281683867 1073442432 /nfs/dbraw/zinc/44/24/32/1073442432.db2.gz URXJQJDDYIDMSZ-UZLBHIALSA-N 1 0 390.484 -0.327 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000281689562 1073441571 /nfs/dbraw/zinc/44/15/71/1073441571.db2.gz LHKKNYGSNCJRNP-UHFFFAOYSA-N 1 0 392.456 -0.117 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cncc(OC)c1 ZINC000281691444 1073441629 /nfs/dbraw/zinc/44/16/29/1073441629.db2.gz YZZSIPOYCHZFJO-UHFFFAOYSA-N 1 0 386.474 -0.499 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000281695622 1073442479 /nfs/dbraw/zinc/44/24/79/1073442479.db2.gz LPXUQXIICIJEQI-UHFFFAOYSA-N 1 0 390.440 -0.120 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)CC1 ZINC000281696246 1073442594 /nfs/dbraw/zinc/44/25/94/1073442594.db2.gz PJLXYNWNFKEHQJ-UHFFFAOYSA-N 1 0 398.485 -0.058 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281698107 1073442744 /nfs/dbraw/zinc/44/27/44/1073442744.db2.gz VUSZFUOPXWBLIU-UHFFFAOYSA-N 1 0 382.486 -0.040 20 0 GBADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1(C)C ZINC000281706362 1073443442 /nfs/dbraw/zinc/44/34/42/1073443442.db2.gz APIIMXSBNMXBKS-UHFFFAOYSA-N 1 0 379.490 -0.033 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ZINC000285594899 530252220 /nfs/dbraw/zinc/25/22/20/530252220.db2.gz XXEUUYAODHYBAF-UHFFFAOYSA-N 1 0 391.515 -0.026 20 0 GBADRO COC[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCO1 ZINC000285747191 1072734790 /nfs/dbraw/zinc/73/47/90/1072734790.db2.gz JTEYNXDGDKUTBS-MRXNPFEDSA-N 1 0 391.472 -0.677 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000285817804 1072736248 /nfs/dbraw/zinc/73/62/48/1072736248.db2.gz FKZSBBDWEXBNFL-UHFFFAOYSA-N 1 0 394.472 -0.125 20 0 GBADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000285876143 1072737564 /nfs/dbraw/zinc/73/75/64/1072737564.db2.gz JESFFIMSNDLIPG-WBVHZDCISA-N 1 0 390.484 -0.038 20 0 GBADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000285967214 1072738500 /nfs/dbraw/zinc/73/85/00/1072738500.db2.gz REWXKJGGGNXBKO-UHFFFAOYSA-N 1 0 390.488 -0.024 20 0 GBADRO CCN1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1=O ZINC000285985144 1072738480 /nfs/dbraw/zinc/73/84/80/1072738480.db2.gz 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Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)s1 ZINC000286575427 530252933 /nfs/dbraw/zinc/25/29/33/530252933.db2.gz UMPBKVITNZVDCZ-NSHDSACASA-N 1 0 390.531 -0.093 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2cnn(C)c2)C1 ZINC000286595914 1072746153 /nfs/dbraw/zinc/74/61/53/1072746153.db2.gz NZWVZEVLEDLXBA-CABCVRRESA-N 1 0 381.502 -0.127 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2cnn(C)c2)C1 ZINC000286595916 1072746609 /nfs/dbraw/zinc/74/66/09/1072746609.db2.gz NZWVZEVLEDLXBA-GJZGRUSLSA-N 1 0 381.502 -0.127 20 0 GBADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000286766985 530252887 /nfs/dbraw/zinc/25/28/87/530252887.db2.gz QDAKMDQVNJQJON-ZDUSSCGKSA-N 1 0 391.515 -0.064 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000287016871 1073271552 /nfs/dbraw/zinc/27/15/52/1073271552.db2.gz QSEMRDZQVCUXDW-CVEARBPZSA-N 1 0 389.500 -0.248 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000287242637 530253855 /nfs/dbraw/zinc/25/38/55/530253855.db2.gz SUESRVJLWCRFMO-GHMZBOCLSA-N 1 0 376.504 -0.008 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000287242642 530253840 /nfs/dbraw/zinc/25/38/40/530253840.db2.gz SUESRVJLWCRFMO-MNOVXSKESA-N 1 0 376.504 -0.008 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000287242646 530253914 /nfs/dbraw/zinc/25/39/14/530253914.db2.gz SUESRVJLWCRFMO-QWRGUYRKSA-N 1 0 376.504 -0.008 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000287242650 530253698 /nfs/dbraw/zinc/25/36/98/530253698.db2.gz SUESRVJLWCRFMO-WDEREUQCSA-N 1 0 376.504 -0.008 20 0 GBADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](CC)CCO)cc1 ZINC000287273032 530253962 /nfs/dbraw/zinc/25/39/62/530253962.db2.gz IGXOIOCDLMMFRH-UHFFFAOYSA-N 1 0 393.531 -0.033 20 0 GBADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000287948976 530254826 /nfs/dbraw/zinc/25/48/26/530254826.db2.gz 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O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288167119 530255046 /nfs/dbraw/zinc/25/50/46/530255046.db2.gz DCWJQQIFDRGDNI-SNVBAGLBSA-N 1 0 389.250 -0.326 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]3CCCC3)C2=O)n(C)n1 ZINC000288210439 1072770414 /nfs/dbraw/zinc/77/04/14/1072770414.db2.gz MUKYRMKMGCSVTD-HNNXBMFYSA-N 1 0 390.488 -0.106 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CCCO1 ZINC000288218112 1072769891 /nfs/dbraw/zinc/76/98/91/1072769891.db2.gz VDTBMFGDBYPMJO-MRXNPFEDSA-N 1 0 390.488 -0.258 20 0 GBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000288401812 1072772179 /nfs/dbraw/zinc/77/21/79/1072772179.db2.gz GFKRLBXCGRHZSN-DZGCQCFKSA-N 1 0 376.461 -0.510 20 0 GBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000288439539 1072773086 /nfs/dbraw/zinc/77/30/86/1072773086.db2.gz HQOOKQROGNXQMF-XJKSGUPXSA-N 1 0 390.488 -0.170 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 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ZINC000329769298 530290584 /nfs/dbraw/zinc/29/05/84/530290584.db2.gz FGQPNMSHDFADON-KBPBESRZSA-N 1 0 376.548 -0.060 20 0 GBADRO CS[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000329769371 530290864 /nfs/dbraw/zinc/29/08/64/530290864.db2.gz FGQPNMSHDFADON-KGLIPLIRSA-N 1 0 376.548 -0.060 20 0 GBADRO CS[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000329769373 530290770 /nfs/dbraw/zinc/29/07/70/530290770.db2.gz FGQPNMSHDFADON-UONOGXRCSA-N 1 0 376.548 -0.060 20 0 GBADRO CS[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000329769375 530290837 /nfs/dbraw/zinc/29/08/37/530290837.db2.gz FGQPNMSHDFADON-ZIAGYGMSSA-N 1 0 376.548 -0.060 20 0 GBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329789619 1073382656 /nfs/dbraw/zinc/38/26/56/1073382656.db2.gz SNPOLCMWPHLFGS-ARFHVFGLSA-N 1 0 383.514 -0.034 20 0 GBADRO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329789620 1073382994 /nfs/dbraw/zinc/38/29/94/1073382994.db2.gz SNPOLCMWPHLFGS-BZUAXINKSA-N 1 0 383.514 -0.034 20 0 GBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329789621 1073382948 /nfs/dbraw/zinc/38/29/48/1073382948.db2.gz SNPOLCMWPHLFGS-OAGGEKHMSA-N 1 0 383.514 -0.034 20 0 GBADRO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329789623 1073382642 /nfs/dbraw/zinc/38/26/42/1073382642.db2.gz SNPOLCMWPHLFGS-XHSDSOJGSA-N 1 0 383.514 -0.034 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)c1 ZINC000329829274 1073384137 /nfs/dbraw/zinc/38/41/37/1073384137.db2.gz DPGNIPPLYJJNTP-FQEVSTJZSA-N 1 0 390.484 -0.326 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=O)c1 ZINC000329829275 1073384059 /nfs/dbraw/zinc/38/40/59/1073384059.db2.gz DPGNIPPLYJJNTP-HXUWFJFHSA-N 1 0 390.484 -0.326 20 0 GBADRO Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000329830193 1072569152 /nfs/dbraw/zinc/56/91/52/1072569152.db2.gz JQNKQOWSNLOUQJ-AWEZNQCLSA-N 1 0 375.477 -0.206 20 0 GBADRO Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000329830194 1072568480 /nfs/dbraw/zinc/56/84/80/1072568480.db2.gz JQNKQOWSNLOUQJ-CQSZACIVSA-N 1 0 375.477 -0.206 20 0 GBADRO C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC(=O)N(CCN3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836469 1073384668 /nfs/dbraw/zinc/38/46/68/1073384668.db2.gz HUNZDLLSRJPLNQ-AXVVYFOYSA-N 1 0 395.500 -0.038 20 0 GBADRO C[C@H]1OCC[C@]12CN(C(=O)[C@@H]1CC(=O)N(CCN3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836471 1073384563 /nfs/dbraw/zinc/38/45/63/1073384563.db2.gz HUNZDLLSRJPLNQ-VIPLHTEESA-N 1 0 395.500 -0.038 20 0 GBADRO C[C@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC(=O)N(CCN3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836473 1073384605 /nfs/dbraw/zinc/38/46/05/1073384605.db2.gz HUNZDLLSRJPLNQ-WOCWXWTJSA-N 1 0 395.500 -0.038 20 0 GBADRO C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CC(=O)N(CCN3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836474 1073384762 /nfs/dbraw/zinc/38/47/62/1073384762.db2.gz HUNZDLLSRJPLNQ-YZLZLFLDSA-N 1 0 395.500 -0.038 20 0 GBADRO O=C(CN1CCC(c2ncc[nH]2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000329841320 1073384727 /nfs/dbraw/zinc/38/47/27/1073384727.db2.gz OMBHGVBYTOXBIO-INIZCTEOSA-N 1 0 395.529 -0.080 20 0 GBADRO O=C(CN1CCC(c2ncc[nH]2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329841321 1073384836 /nfs/dbraw/zinc/38/48/36/1073384836.db2.gz OMBHGVBYTOXBIO-MRXNPFEDSA-N 1 0 395.529 -0.080 20 0 GBADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000329845966 1073384957 /nfs/dbraw/zinc/38/49/57/1073384957.db2.gz LZWDTYHGILNMLR-INIZCTEOSA-N 1 0 388.534 -0.028 20 0 GBADRO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000329845970 1073384831 /nfs/dbraw/zinc/38/48/31/1073384831.db2.gz LZWDTYHGILNMLR-MRXNPFEDSA-N 1 0 388.534 -0.028 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000329868809 1073385276 /nfs/dbraw/zinc/38/52/76/1073385276.db2.gz XWUZMTXRICMLQS-HOTGVXAUSA-N 1 0 387.550 -0.504 20 0 GBADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000329868810 1073385589 /nfs/dbraw/zinc/38/55/89/1073385589.db2.gz XWUZMTXRICMLQS-HZPDHXFCSA-N 1 0 387.550 -0.504 20 0 GBADRO C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329871185 1073386376 /nfs/dbraw/zinc/38/63/76/1073386376.db2.gz ANKKPZOVSRWAAC-UHFFFAOYSA-N 1 0 386.518 -0.577 20 0 GBADRO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000329888017 1073386836 /nfs/dbraw/zinc/38/68/36/1073386836.db2.gz YFRNBNPOGUUVEF-HOTGVXAUSA-N 1 0 387.550 -0.647 20 0 GBADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000329905386 1073387357 /nfs/dbraw/zinc/38/73/57/1073387357.db2.gz JODDNERFWFWVBH-BBWFWOEESA-N 1 0 385.530 -0.305 20 0 GBADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000329905390 1073387454 /nfs/dbraw/zinc/38/74/54/1073387454.db2.gz JODDNERFWFWVBH-GVDBMIGSSA-N 1 0 385.530 -0.305 20 0 GBADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000329905392 1073387348 /nfs/dbraw/zinc/38/73/48/1073387348.db2.gz JODDNERFWFWVBH-ULQDDVLXSA-N 1 0 385.530 -0.305 20 0 GBADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000329905394 1073387374 /nfs/dbraw/zinc/38/73/74/1073387374.db2.gz JODDNERFWFWVBH-YESZJQIVSA-N 1 0 385.530 -0.305 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC000329911699 1073387469 /nfs/dbraw/zinc/38/74/69/1073387469.db2.gz WMVRWUNBYQQARU-HNNXBMFYSA-N 1 0 390.488 -0.118 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC000329911701 1073387353 /nfs/dbraw/zinc/38/73/53/1073387353.db2.gz WMVRWUNBYQQARU-OAHLLOKOSA-N 1 0 390.488 -0.118 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000329917338 1073388262 /nfs/dbraw/zinc/38/82/62/1073388262.db2.gz ZHMAEORFTHMPSE-UHFFFAOYSA-N 1 0 388.534 -0.866 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920672 530291323 /nfs/dbraw/zinc/29/13/23/530291323.db2.gz HBOCCRYLJLPKND-KBPBESRZSA-N 1 0 382.552 -0.482 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920673 530291476 /nfs/dbraw/zinc/29/14/76/530291476.db2.gz HBOCCRYLJLPKND-KGLIPLIRSA-N 1 0 382.552 -0.482 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920674 530291423 /nfs/dbraw/zinc/29/14/23/530291423.db2.gz HBOCCRYLJLPKND-UONOGXRCSA-N 1 0 382.552 -0.482 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329920675 530291414 /nfs/dbraw/zinc/29/14/14/530291414.db2.gz HBOCCRYLJLPKND-ZIAGYGMSSA-N 1 0 382.552 -0.482 20 0 GBADRO CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000329929130 1073388788 /nfs/dbraw/zinc/38/87/88/1073388788.db2.gz NDCFTXGDOQCSEG-UHFFFAOYSA-N 1 0 387.550 -0.645 20 0 GBADRO CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)CC1 ZINC000329933559 1073388823 /nfs/dbraw/zinc/38/88/23/1073388823.db2.gz BODIGZZNYSFBDK-HOTGVXAUSA-N 1 0 396.467 -0.087 20 0 GBADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000329937925 1073388644 /nfs/dbraw/zinc/38/86/44/1073388644.db2.gz DUJSGVFLGGQSCL-BBRMVZONSA-N 1 0 378.452 -0.138 20 0 GBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943281 530291575 /nfs/dbraw/zinc/29/15/75/530291575.db2.gz HQDCGWJMLRQNID-KFWWJZLASA-N 1 0 396.579 -0.236 20 0 GBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943282 530291498 /nfs/dbraw/zinc/29/14/98/530291498.db2.gz HQDCGWJMLRQNID-QLFBSQMISA-N 1 0 396.579 -0.236 20 0 GBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943283 530291630 /nfs/dbraw/zinc/29/16/30/530291630.db2.gz HQDCGWJMLRQNID-RBSFLKMASA-N 1 0 396.579 -0.236 20 0 GBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329943284 530291481 /nfs/dbraw/zinc/29/14/81/530291481.db2.gz HQDCGWJMLRQNID-ZNMIVQPWSA-N 1 0 396.579 -0.236 20 0 GBADRO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 ZINC000329943506 1073389687 /nfs/dbraw/zinc/38/96/87/1073389687.db2.gz HTPVGXPGFPSVDK-IRXDYDNUSA-N 1 0 394.495 -0.045 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000329958306 1073390179 /nfs/dbraw/zinc/39/01/79/1073390179.db2.gz PYYHURQZXOCLKW-UHFFFAOYSA-N 1 0 388.534 -0.866 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)N3CCC(OCC[NH+](C)C)CC3)OCC(=O)N2C)cn1 ZINC000329978804 1073390662 /nfs/dbraw/zinc/39/06/62/1073390662.db2.gz IGHSHUXNVKSMAQ-ZWKOTPCHSA-N 1 0 393.488 -0.112 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000330013605 1073057351 /nfs/dbraw/zinc/05/73/51/1073057351.db2.gz MGTIPVKTFBEIJN-GXTWGEPZSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000330013606 1073056884 /nfs/dbraw/zinc/05/68/84/1073056884.db2.gz MGTIPVKTFBEIJN-JSGCOSHPSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000330013607 1073056758 /nfs/dbraw/zinc/05/67/58/1073056758.db2.gz MGTIPVKTFBEIJN-OCCSQVGLSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000330013608 1073056782 /nfs/dbraw/zinc/05/67/82/1073056782.db2.gz MGTIPVKTFBEIJN-TZMCWYRMSA-N 1 0 380.470 -0.241 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+](C3CCOCC3)CC2)cn1C ZINC000330036274 1073392907 /nfs/dbraw/zinc/39/29/07/1073392907.db2.gz YFAKYDUDZJLPNS-UHFFFAOYSA-N 1 0 385.490 -0.670 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330055915 530291771 /nfs/dbraw/zinc/29/17/71/530291771.db2.gz VAYIEFLLFYKMKQ-UHFFFAOYSA-N 1 0 396.579 -0.785 20 0 GBADRO CCC[NH+]1CCC(N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 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530278065 /nfs/dbraw/zinc/27/80/65/530278065.db2.gz LQWWCBZWMXBPNG-UONOGXRCSA-N 1 0 377.532 -0.125 20 0 GBADRO CC(=O)N1CSC[C@@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000330987638 530278034 /nfs/dbraw/zinc/27/80/34/530278034.db2.gz LQWWCBZWMXBPNG-ZIAGYGMSSA-N 1 0 377.532 -0.125 20 0 GBADRO CO[C@H]1C[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000330998723 530278143 /nfs/dbraw/zinc/27/81/43/530278143.db2.gz UVVFVXFJQLHPHF-APIJFGDWSA-N 1 0 377.507 -0.349 20 0 GBADRO CO[C@H]1C[C@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000330998727 530278055 /nfs/dbraw/zinc/27/80/55/530278055.db2.gz UVVFVXFJQLHPHF-LJISPDSOSA-N 1 0 377.507 -0.349 20 0 GBADRO CO[C@H]1C[C@H](C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000330998731 530278195 /nfs/dbraw/zinc/27/81/95/530278195.db2.gz UVVFVXFJQLHPHF-ZQDZILKHSA-N 1 0 377.507 -0.349 20 0 GBADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000331013199 530278202 /nfs/dbraw/zinc/27/82/02/530278202.db2.gz YGXPDPVSHLQUFX-HNNXBMFYSA-N 1 0 376.523 -0.172 20 0 GBADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000331013200 530278104 /nfs/dbraw/zinc/27/81/04/530278104.db2.gz YGXPDPVSHLQUFX-OAHLLOKOSA-N 1 0 376.523 -0.172 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NC)nc3)C2)CC1 ZINC000331019785 1073159261 /nfs/dbraw/zinc/15/92/61/1073159261.db2.gz QZADLRLVIDTTPE-HNNXBMFYSA-N 1 0 381.502 -0.158 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NC)nc3)C2)CC1 ZINC000331019786 1073159246 /nfs/dbraw/zinc/15/92/46/1073159246.db2.gz QZADLRLVIDTTPE-OAHLLOKOSA-N 1 0 381.502 -0.158 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000331023530 530277695 /nfs/dbraw/zinc/27/76/95/530277695.db2.gz MGWMYDDWVXJACX-UHFFFAOYSA-N 1 0 394.494 -0.277 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331023646 530277702 /nfs/dbraw/zinc/27/77/02/530277702.db2.gz UMRHNWXKJDTGAD-CYBMUJFWSA-N 1 0 390.531 -0.362 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331023647 530277654 /nfs/dbraw/zinc/27/76/54/530277654.db2.gz UMRHNWXKJDTGAD-ZDUSSCGKSA-N 1 0 390.531 -0.362 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000331027356 530277814 /nfs/dbraw/zinc/27/78/14/530277814.db2.gz CDTPDDKTBVKOTM-UHFFFAOYSA-N 1 0 376.523 -0.093 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cn1C ZINC000331033347 1073159846 /nfs/dbraw/zinc/15/98/46/1073159846.db2.gz WPNFUHUEMOHJKY-GFCCVEGCSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cn1C ZINC000331033348 1073159752 /nfs/dbraw/zinc/15/97/52/1073159752.db2.gz WPNFUHUEMOHJKY-LBPRGKRZSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cn1C ZINC000331037259 1073160063 /nfs/dbraw/zinc/16/00/63/1073160063.db2.gz BTPDXLFCHWREET-CHWSQXEVSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cn1C ZINC000331037260 1073159946 /nfs/dbraw/zinc/15/99/46/1073159946.db2.gz BTPDXLFCHWREET-OLZOCXBDSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cn1C ZINC000331037261 1073160046 /nfs/dbraw/zinc/16/00/46/1073160046.db2.gz BTPDXLFCHWREET-QWHCGFSZSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cn1C ZINC000331037262 1073159800 /nfs/dbraw/zinc/15/98/00/1073159800.db2.gz BTPDXLFCHWREET-STQMWFEESA-N 1 0 387.506 -0.690 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000331040139 530277989 /nfs/dbraw/zinc/27/79/89/530277989.db2.gz PXLVHWDLQBAVGE-UHFFFAOYSA-N 1 0 375.539 -0.566 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000331059727 1073159783 /nfs/dbraw/zinc/15/97/83/1073159783.db2.gz NHZHUHGQWAMBGU-GFCCVEGCSA-N 1 0 388.490 -0.173 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000331059728 1073160018 /nfs/dbraw/zinc/16/00/18/1073160018.db2.gz NHZHUHGQWAMBGU-LBPRGKRZSA-N 1 0 388.490 -0.173 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+](C)C ZINC000331132562 1073162091 /nfs/dbraw/zinc/16/20/91/1073162091.db2.gz HHECBUFHQMVVIT-AWEZNQCLSA-N 1 0 386.474 -0.202 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC000331150852 1073161554 /nfs/dbraw/zinc/16/15/54/1073161554.db2.gz NZFNLPMHJMJNRC-HOCLYGCPSA-N 1 0 388.534 -0.980 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC000331150853 1073161508 /nfs/dbraw/zinc/16/15/08/1073161508.db2.gz NZFNLPMHJMJNRC-ZBFHGGJFSA-N 1 0 388.534 -0.980 20 0 GBADRO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000331188100 1073162730 /nfs/dbraw/zinc/16/27/30/1073162730.db2.gz VKCZRUXKEIQUTO-INIZCTEOSA-N 1 0 394.497 -0.027 20 0 GBADRO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000331188102 1073162852 /nfs/dbraw/zinc/16/28/52/1073162852.db2.gz VKCZRUXKEIQUTO-MRXNPFEDSA-N 1 0 394.497 -0.027 20 0 GBADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000331193591 530279368 /nfs/dbraw/zinc/27/93/68/530279368.db2.gz QZVFHRZJPYJZCT-DGAVXFQQSA-N 1 0 395.547 -0.530 20 0 GBADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000331193592 530279151 /nfs/dbraw/zinc/27/91/51/530279151.db2.gz QZVFHRZJPYJZCT-FQUUOJAGSA-N 1 0 395.547 -0.530 20 0 GBADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000331193593 530279287 /nfs/dbraw/zinc/27/92/87/530279287.db2.gz QZVFHRZJPYJZCT-IGQOVBAYSA-N 1 0 395.547 -0.530 20 0 GBADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000331193594 530279276 /nfs/dbraw/zinc/27/92/76/530279276.db2.gz QZVFHRZJPYJZCT-REWJHTLYSA-N 1 0 395.547 -0.530 20 0 GBADRO C[C@H](CCN1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195966 530279163 /nfs/dbraw/zinc/27/91/63/530279163.db2.gz UFEIRTQPWBHDOZ-HZSPNIEDSA-N 1 0 382.552 -0.988 20 0 GBADRO C[C@H](CCN1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195967 530279341 /nfs/dbraw/zinc/27/93/41/530279341.db2.gz UFEIRTQPWBHDOZ-MCIONIFRSA-N 1 0 382.552 -0.988 20 0 GBADRO C[C@H](CCN1CC[C@@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000331195968 530279092 /nfs/dbraw/zinc/27/90/92/530279092.db2.gz UFEIRTQPWBHDOZ-MGPQQGTHSA-N 1 0 382.552 -0.988 20 0 GBADRO C[C@H](CCN1CC[C@H](NS(C)(=O)=O)C1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000331195969 530279262 /nfs/dbraw/zinc/27/92/62/530279262.db2.gz UFEIRTQPWBHDOZ-RDBSUJKOSA-N 1 0 382.552 -0.988 20 0 GBADRO COC(=O)C1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000331199357 530279356 /nfs/dbraw/zinc/27/93/56/530279356.db2.gz UKAYJOZBQFBFPW-KBPBESRZSA-N 1 0 375.491 -0.152 20 0 GBADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000331199358 530279328 /nfs/dbraw/zinc/27/93/28/530279328.db2.gz UKAYJOZBQFBFPW-KGLIPLIRSA-N 1 0 375.491 -0.152 20 0 GBADRO COC(=O)C1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000331199359 530279377 /nfs/dbraw/zinc/27/93/77/530279377.db2.gz UKAYJOZBQFBFPW-UONOGXRCSA-N 1 0 375.491 -0.152 20 0 GBADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000331199360 530279304 /nfs/dbraw/zinc/27/93/04/530279304.db2.gz UKAYJOZBQFBFPW-ZIAGYGMSSA-N 1 0 375.491 -0.152 20 0 GBADRO CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331200183 530279226 /nfs/dbraw/zinc/27/92/26/530279226.db2.gz WISBVJMYVZHZFG-UHFFFAOYSA-N 1 0 390.531 -0.045 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331209841 1073162762 /nfs/dbraw/zinc/16/27/62/1073162762.db2.gz XAJGIRHILMXQFO-HNNXBMFYSA-N 1 0 388.534 -0.283 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331209842 1073162714 /nfs/dbraw/zinc/16/27/14/1073162714.db2.gz XAJGIRHILMXQFO-OAHLLOKOSA-N 1 0 388.534 -0.283 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000331217140 530279146 /nfs/dbraw/zinc/27/91/46/530279146.db2.gz QIADALSXUAOSNS-AWEZNQCLSA-N 1 0 390.531 -0.058 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000331217141 530279158 /nfs/dbraw/zinc/27/91/58/530279158.db2.gz QIADALSXUAOSNS-CQSZACIVSA-N 1 0 390.531 -0.058 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000331217716 530279389 /nfs/dbraw/zinc/27/93/89/530279389.db2.gz QZDWNNXDWHLEIH-UHFFFAOYSA-N 1 0 390.531 -0.657 20 0 GBADRO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331217902 530279142 /nfs/dbraw/zinc/27/91/42/530279142.db2.gz RFMKUIBFPGNPLT-AWEZNQCLSA-N 1 0 390.483 -0.291 20 0 GBADRO COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331217903 530279202 /nfs/dbraw/zinc/27/92/02/530279202.db2.gz RFMKUIBFPGNPLT-CQSZACIVSA-N 1 0 390.483 -0.291 20 0 GBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000331244120 530279536 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20 0 GBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000331292811 530280032 /nfs/dbraw/zinc/28/00/32/530280032.db2.gz LBNBZTJYOGYYIV-CQSZACIVSA-N 1 0 376.523 -0.268 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cn1C ZINC000331299377 1073164265 /nfs/dbraw/zinc/16/42/65/1073164265.db2.gz QABLZZYKPBZIGB-GFCCVEGCSA-N 1 0 387.506 -0.690 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cn1C ZINC000331299378 1073164347 /nfs/dbraw/zinc/16/43/47/1073164347.db2.gz QABLZZYKPBZIGB-LBPRGKRZSA-N 1 0 387.506 -0.690 20 0 GBADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000331302054 530280693 /nfs/dbraw/zinc/28/06/93/530280693.db2.gz XBWNWTDCHIYFAD-UHFFFAOYSA-N 1 0 390.531 -0.340 20 0 GBADRO CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000331313182 1073163199 /nfs/dbraw/zinc/16/31/99/1073163199.db2.gz HVOPJRGMLHWRPH-HNNXBMFYSA-N 1 0 397.501 -0.155 20 0 GBADRO CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 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1073164040 /nfs/dbraw/zinc/16/40/40/1073164040.db2.gz MLAWULSXPMIHEJ-UHFFFAOYSA-N 1 0 379.505 -0.297 20 0 GBADRO COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000348358199 530358442 /nfs/dbraw/zinc/35/84/42/530358442.db2.gz YCAVJHHXCJFABM-UHFFFAOYSA-N 1 0 392.503 -0.060 20 0 GBADRO CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)cc[nH+]1 ZINC000348381897 530330739 /nfs/dbraw/zinc/33/07/39/530330739.db2.gz KFZVISJYERJFPL-CHWSQXEVSA-N 1 0 392.503 -0.278 20 0 GBADRO CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)cc[nH+]1 ZINC000348386143 530358771 /nfs/dbraw/zinc/35/87/71/530358771.db2.gz NQUSUYASBVKCLK-CYBMUJFWSA-N 1 0 392.503 -0.012 20 0 GBADRO CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)cc[nH+]1 ZINC000348386144 530358797 /nfs/dbraw/zinc/35/87/97/530358797.db2.gz NQUSUYASBVKCLK-ZDUSSCGKSA-N 1 0 392.503 -0.012 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCc2cnnn2C)cc[nH+]1 ZINC000348391242 637462162 /nfs/dbraw/zinc/46/21/62/637462162.db2.gz SWMJYOKGAVKBMR-UHFFFAOYSA-N 1 0 388.475 -0.808 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000348391358 530075179 /nfs/dbraw/zinc/07/51/79/530075179.db2.gz TVAGPNFLHKBNSB-LLVKDONJSA-N 1 0 388.475 -0.258 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)c2nc[nH]n2)cc[nH+]1 ZINC000348391360 530075312 /nfs/dbraw/zinc/07/53/12/530075312.db2.gz TVAGPNFLHKBNSB-NSHDSACASA-N 1 0 388.475 -0.258 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc[nH+]1 ZINC000348394192 530330580 /nfs/dbraw/zinc/33/05/80/530330580.db2.gz VOTKZZVERGYRES-UONOGXRCSA-N 1 0 389.499 -0.200 20 0 GBADRO CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000348395032 530330702 /nfs/dbraw/zinc/33/07/02/530330702.db2.gz VWBXQWZQHWNOBE-ZIAGYGMSSA-N 1 0 393.487 -0.723 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2COCCO2)cc[nH+]1 ZINC000348399973 530330938 /nfs/dbraw/zinc/33/09/38/530330938.db2.gz YMADUSGSCWGWBN-AWEZNQCLSA-N 1 0 393.487 -0.721 20 0 GBADRO 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377.488 -0.271 20 0 GBADRO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000349457157 530333132 /nfs/dbraw/zinc/33/31/32/530333132.db2.gz DMVFOMNHGOZNES-OCCSQVGLSA-N 1 0 391.519 -0.184 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)cc[nH+]1 ZINC000349457241 530364614 /nfs/dbraw/zinc/36/46/14/530364614.db2.gz FBBZMYULGPBLKJ-TZMCWYRMSA-N 1 0 377.488 -0.271 20 0 GBADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ccnnc3)C[C@@H]21 ZINC000349460286 530077553 /nfs/dbraw/zinc/07/75/53/530077553.db2.gz GTIGPIFPXHZCOJ-OCCSQVGLSA-N 1 0 389.503 -0.426 20 0 GBADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 ZINC000349462159 530333252 /nfs/dbraw/zinc/33/32/52/530333252.db2.gz KYEDGJQJFORPCL-CYBMUJFWSA-N 1 0 391.519 -0.178 20 0 GBADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 ZINC000349462161 530333484 /nfs/dbraw/zinc/33/34/84/530333484.db2.gz KYEDGJQJFORPCL-ZDUSSCGKSA-N 1 0 391.519 -0.178 20 0 GBADRO 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530342048 /nfs/dbraw/zinc/34/20/48/530342048.db2.gz FFYIORLFKISWLI-UHFFFAOYSA-N 1 0 391.515 -0.266 20 0 GBADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3cn[nH]c3)C[C@@H]2C1 ZINC000349599482 530096200 /nfs/dbraw/zinc/09/62/00/530096200.db2.gz BBEVNAKHRZOPAU-BETUJISGSA-N 1 0 391.519 -0.245 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)cc[nH+]1 ZINC000349600312 530371070 /nfs/dbraw/zinc/37/10/70/530371070.db2.gz LLEUULSPURRLEV-DOMZBBRYSA-N 1 0 391.515 -0.024 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)[C@H](O)C2)cc[nH+]1 ZINC000349600313 530371016 /nfs/dbraw/zinc/37/10/16/530371016.db2.gz LLEUULSPURRLEV-IUODEOHRSA-N 1 0 391.515 -0.024 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)cc[nH+]1 ZINC000349600315 530370959 /nfs/dbraw/zinc/37/09/59/530370959.db2.gz LLEUULSPURRLEV-SWLSCSKDSA-N 1 0 391.515 -0.024 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](O)[C@@H](C)C2)cc[nH+]1 ZINC000349600316 530370917 /nfs/dbraw/zinc/37/09/17/530370917.db2.gz 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CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376394136 1072966847 /nfs/dbraw/zinc/96/68/47/1072966847.db2.gz FOICAQHDEWCCRQ-LSDHHAIUSA-N 1 0 388.534 -0.094 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376416341 1072977196 /nfs/dbraw/zinc/97/71/96/1072977196.db2.gz YFOHSHWLDXUMDY-CABCVRRESA-N 1 0 388.534 -0.094 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376416342 1072977431 /nfs/dbraw/zinc/97/74/31/1072977431.db2.gz YFOHSHWLDXUMDY-GJZGRUSLSA-N 1 0 388.534 -0.094 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376416343 1072977135 /nfs/dbraw/zinc/97/71/35/1072977135.db2.gz YFOHSHWLDXUMDY-HUUCEWRRSA-N 1 0 388.534 -0.094 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376416344 1072977057 /nfs/dbraw/zinc/97/70/57/1072977057.db2.gz YFOHSHWLDXUMDY-LSDHHAIUSA-N 1 0 388.534 -0.094 20 0 GBADRO 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PMKPUERHRCWVNI-KRWDZBQOSA-N 1 0 396.513 -0.049 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000378183821 1073247329 /nfs/dbraw/zinc/24/73/29/1073247329.db2.gz PMKPUERHRCWVNI-QGZVFWFLSA-N 1 0 396.513 -0.049 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCCc3cc(C[NH3+])ccc32)c[nH]1 ZINC000378187386 1073247265 /nfs/dbraw/zinc/24/72/65/1073247265.db2.gz KASGMGBHOBEKOO-UHFFFAOYSA-N 1 0 391.453 -0.170 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000378191902 1073247516 /nfs/dbraw/zinc/24/75/16/1073247516.db2.gz KTEBPMYMMKMFDG-UHFFFAOYSA-N 1 0 390.550 -0.572 20 0 GBADRO O=C(N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000378213313 1073248967 /nfs/dbraw/zinc/24/89/67/1073248967.db2.gz UWZCFCPCISMAFD-INIZCTEOSA-N 1 0 397.432 -0.197 20 0 GBADRO O=C(N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000378213315 1073249047 /nfs/dbraw/zinc/24/90/47/1073249047.db2.gz UWZCFCPCISMAFD-MRXNPFEDSA-N 1 0 397.432 -0.197 20 0 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FZOZISSQEMJWBY-QLFBSQMISA-N 1 0 376.523 -0.175 20 0 GBADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](C)C ZINC000407979810 530131846 /nfs/dbraw/zinc/13/18/46/530131846.db2.gz FZOZISSQEMJWBY-RBSFLKMASA-N 1 0 376.523 -0.175 20 0 GBADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000407979811 530131455 /nfs/dbraw/zinc/13/14/55/530131455.db2.gz FZOZISSQEMJWBY-SOUVJXGZSA-N 1 0 376.523 -0.175 20 0 GBADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000407979812 530131882 /nfs/dbraw/zinc/13/18/82/530131882.db2.gz FZOZISSQEMJWBY-ZNMIVQPWSA-N 1 0 376.523 -0.175 20 0 GBADRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000407989560 1073051726 /nfs/dbraw/zinc/05/17/26/1073051726.db2.gz HWOSNYMVDKTDQA-GDBMZVCRSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000407989567 1073051930 /nfs/dbraw/zinc/05/19/30/1073051930.db2.gz HWOSNYMVDKTDQA-GOEBONIOSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000407989568 1073051521 /nfs/dbraw/zinc/05/15/21/1073051521.db2.gz HWOSNYMVDKTDQA-HOCLYGCPSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000407989570 1073051152 /nfs/dbraw/zinc/05/11/52/1073051152.db2.gz HWOSNYMVDKTDQA-ZBFHGGJFSA-N 1 0 380.489 -0.330 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000407991040 530132339 /nfs/dbraw/zinc/13/23/39/530132339.db2.gz SKJKHDYXVAZQKP-UHFFFAOYSA-N 1 0 376.523 -0.244 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000407999943 1073056982 /nfs/dbraw/zinc/05/69/82/1073056982.db2.gz YCLOSWHAMXTVCJ-AWEZNQCLSA-N 1 0 386.474 -0.419 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000407999944 1073057078 /nfs/dbraw/zinc/05/70/78/1073057078.db2.gz YCLOSWHAMXTVCJ-CQSZACIVSA-N 1 0 386.474 -0.419 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000408008275 530132849 /nfs/dbraw/zinc/13/28/49/530132849.db2.gz LQJKQCSLAIPDRW-UHFFFAOYSA-N 1 0 376.523 -0.101 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408025740 1073111939 /nfs/dbraw/zinc/11/19/39/1073111939.db2.gz DHVXFWRRAHTKIE-AEFFLSMTSA-N 1 0 377.533 -0.032 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408025745 1073112153 /nfs/dbraw/zinc/11/21/53/1073112153.db2.gz DHVXFWRRAHTKIE-FUHWJXTLSA-N 1 0 377.533 -0.032 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408025746 1073112800 /nfs/dbraw/zinc/11/28/00/1073112800.db2.gz DHVXFWRRAHTKIE-SJLPKXTDSA-N 1 0 377.533 -0.032 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408025747 1073112786 /nfs/dbraw/zinc/11/27/86/1073112786.db2.gz DHVXFWRRAHTKIE-WMZOPIPTSA-N 1 0 377.533 -0.032 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 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/nfs/dbraw/zinc/13/42/14/530134214.db2.gz OTFUOWWAPXSHOK-LSDHHAIUSA-N 1 0 396.579 -0.787 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408028563 1073112825 /nfs/dbraw/zinc/11/28/25/1073112825.db2.gz PXBWZXYMNPJCAE-HNNXBMFYSA-N 1 0 397.501 -0.486 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408028564 1073112968 /nfs/dbraw/zinc/11/29/68/1073112968.db2.gz PXBWZXYMNPJCAE-OAHLLOKOSA-N 1 0 397.501 -0.486 20 0 GBADRO C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000408028629 1073112751 /nfs/dbraw/zinc/11/27/51/1073112751.db2.gz QOQXSTYVUCHICS-DZGCQCFKSA-N 1 0 383.518 -0.230 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000408028630 1073113743 /nfs/dbraw/zinc/11/37/43/1073113743.db2.gz QOQXSTYVUCHICS-HIFRSBDPSA-N 1 0 383.518 -0.230 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000408028631 1073113717 /nfs/dbraw/zinc/11/37/17/1073113717.db2.gz 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CN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCC(CO)CC1 ZINC000410613950 1073766947 /nfs/dbraw/zinc/76/69/47/1073766947.db2.gz CTWOYSODBKCQPI-UHFFFAOYSA-N 1 0 394.516 -0.238 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C(C)(C)O)CC1 ZINC000410614428 1073767975 /nfs/dbraw/zinc/76/79/75/1073767975.db2.gz JGFAPRLKVXBWHW-HNNXBMFYSA-N 1 0 382.505 -0.239 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)CC1 ZINC000410614429 1073767991 /nfs/dbraw/zinc/76/79/91/1073767991.db2.gz JGFAPRLKVXBWHW-OAHLLOKOSA-N 1 0 382.505 -0.239 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCn3nc(C)nc3C2)C1 ZINC000410615396 1073768794 /nfs/dbraw/zinc/76/87/94/1073768794.db2.gz PKBHABHBFIGOCE-HNNXBMFYSA-N 1 0 378.477 -0.112 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCn3nc(C)nc3C2)C1 ZINC000410615397 1073768490 /nfs/dbraw/zinc/76/84/90/1073768490.db2.gz PKBHABHBFIGOCE-OAHLLOKOSA-N 1 0 378.477 -0.112 20 0 GBADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000410624287 1073771376 /nfs/dbraw/zinc/77/13/76/1073771376.db2.gz RVXUAYVKDWOXKO-GJZGRUSLSA-N 1 0 386.518 -0.435 20 0 GBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000410624288 1073771053 /nfs/dbraw/zinc/77/10/53/1073771053.db2.gz RVXUAYVKDWOXKO-HUUCEWRRSA-N 1 0 386.518 -0.435 20 0 GBADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000410624290 1073770957 /nfs/dbraw/zinc/77/09/57/1073770957.db2.gz RVXUAYVKDWOXKO-LSDHHAIUSA-N 1 0 386.518 -0.435 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000410625094 1073771217 /nfs/dbraw/zinc/77/12/17/1073771217.db2.gz VTYZNWJLRWDHGV-HZPDHXFCSA-N 1 0 382.505 -0.239 20 0 GBADRO C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410633211 1073773057 /nfs/dbraw/zinc/77/30/57/1073773057.db2.gz FXMDKSKGYOHDAI-DLBZAZTESA-N 1 0 394.516 -0.095 20 0 GBADRO C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410633214 1073772991 /nfs/dbraw/zinc/77/29/91/1073772991.db2.gz FXMDKSKGYOHDAI-IAGOWNOFSA-N 1 0 394.516 -0.095 20 0 GBADRO C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410633215 1073772847 /nfs/dbraw/zinc/77/28/47/1073772847.db2.gz FXMDKSKGYOHDAI-IRXDYDNUSA-N 1 0 394.516 -0.095 20 0 GBADRO C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410633217 1073773227 /nfs/dbraw/zinc/77/32/27/1073773227.db2.gz FXMDKSKGYOHDAI-SJORKVTESA-N 1 0 394.516 -0.095 20 0 GBADRO C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410638185 1073774895 /nfs/dbraw/zinc/77/48/95/1073774895.db2.gz DAHXEQHRZSFCBY-CVEARBPZSA-N 1 0 380.489 -0.485 20 0 GBADRO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410638186 1073775017 /nfs/dbraw/zinc/77/50/17/1073775017.db2.gz DAHXEQHRZSFCBY-HOTGVXAUSA-N 1 0 380.489 -0.485 20 0 GBADRO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410638187 1073774742 /nfs/dbraw/zinc/77/47/42/1073774742.db2.gz DAHXEQHRZSFCBY-HZPDHXFCSA-N 1 0 380.489 -0.485 20 0 GBADRO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410638188 1073774944 /nfs/dbraw/zinc/77/49/44/1073774944.db2.gz DAHXEQHRZSFCBY-JKSUJKDBSA-N 1 0 380.489 -0.485 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000410638572 1073774909 /nfs/dbraw/zinc/77/49/09/1073774909.db2.gz DVMLVTFHLJGVNM-HNNXBMFYSA-N 1 0 389.456 -0.718 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000410638574 1073774917 /nfs/dbraw/zinc/77/49/17/1073774917.db2.gz DVMLVTFHLJGVNM-OAHLLOKOSA-N 1 0 389.456 -0.718 20 0 GBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000410641908 1073776551 /nfs/dbraw/zinc/77/65/51/1073776551.db2.gz MBBSRPKIPMQTBS-KRWDZBQOSA-N 1 0 396.532 -0.121 20 0 GBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000410641909 1073776618 /nfs/dbraw/zinc/77/66/18/1073776618.db2.gz MBBSRPKIPMQTBS-QGZVFWFLSA-N 1 0 396.532 -0.121 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000410643903 1073778570 /nfs/dbraw/zinc/77/85/70/1073778570.db2.gz PXXGFDMFSNJCRY-DLBZAZTESA-N 1 0 382.505 -0.511 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000410643904 1073778711 /nfs/dbraw/zinc/77/87/11/1073778711.db2.gz PXXGFDMFSNJCRY-IAGOWNOFSA-N 1 0 382.505 -0.511 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000410643905 1073778720 /nfs/dbraw/zinc/77/87/20/1073778720.db2.gz PXXGFDMFSNJCRY-IRXDYDNUSA-N 1 0 382.505 -0.511 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000410643906 1073778644 /nfs/dbraw/zinc/77/86/44/1073778644.db2.gz PXXGFDMFSNJCRY-SJORKVTESA-N 1 0 382.505 -0.511 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000410644651 1073778678 /nfs/dbraw/zinc/77/86/78/1073778678.db2.gz SILSYPVYJVLFJQ-CVEARBPZSA-N 1 0 382.505 -0.239 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[C@H](C)O)CC1 ZINC000410644652 1073778225 /nfs/dbraw/zinc/77/82/25/1073778225.db2.gz SILSYPVYJVLFJQ-HOTGVXAUSA-N 1 0 382.505 -0.239 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000410644653 1073778493 /nfs/dbraw/zinc/77/84/93/1073778493.db2.gz SILSYPVYJVLFJQ-HZPDHXFCSA-N 1 0 382.505 -0.239 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000410644654 1073778288 /nfs/dbraw/zinc/77/82/88/1073778288.db2.gz SILSYPVYJVLFJQ-JKSUJKDBSA-N 1 0 382.505 -0.239 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410645504 1073779311 /nfs/dbraw/zinc/77/93/11/1073779311.db2.gz WGICEHYHHRBYIA-FUHWJXTLSA-N 1 0 393.532 -0.844 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410645505 1073779228 /nfs/dbraw/zinc/77/92/28/1073779228.db2.gz WGICEHYHHRBYIA-SJLPKXTDSA-N 1 0 393.532 -0.844 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410645506 1073779186 /nfs/dbraw/zinc/77/91/86/1073779186.db2.gz WGICEHYHHRBYIA-WMZOPIPTSA-N 1 0 393.532 -0.844 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000410651206 1073782153 /nfs/dbraw/zinc/78/21/53/1073782153.db2.gz FXWVRAVPZKAQMZ-HNNXBMFYSA-N 1 0 395.504 -0.922 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000410651207 1073781717 /nfs/dbraw/zinc/78/17/17/1073781717.db2.gz FXWVRAVPZKAQMZ-OAHLLOKOSA-N 1 0 395.504 -0.922 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000410651884 1073781825 /nfs/dbraw/zinc/78/18/25/1073781825.db2.gz JPUPMGUMWNDGSX-AWEZNQCLSA-N 1 0 389.456 -0.182 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000410651885 1073782051 /nfs/dbraw/zinc/78/20/51/1073782051.db2.gz JPUPMGUMWNDGSX-CQSZACIVSA-N 1 0 389.456 -0.182 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[C@H](C)C1 ZINC000410652286 1073781786 /nfs/dbraw/zinc/78/17/86/1073781786.db2.gz KTEPMOZJSOCDHX-AEFFLSMTSA-N 1 0 393.532 -0.306 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[C@@H](C)C1 ZINC000410652287 1073781991 /nfs/dbraw/zinc/78/19/91/1073781991.db2.gz KTEPMOZJSOCDHX-FUHWJXTLSA-N 1 0 393.532 -0.306 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[C@H](C)C1 ZINC000410652288 1073781923 /nfs/dbraw/zinc/78/19/23/1073781923.db2.gz KTEPMOZJSOCDHX-SJLPKXTDSA-N 1 0 393.532 -0.306 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[C@@H](C)C1 ZINC000410652289 1073782131 /nfs/dbraw/zinc/78/21/31/1073782131.db2.gz KTEPMOZJSOCDHX-WMZOPIPTSA-N 1 0 393.532 -0.306 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)[C@@H](C)C1 ZINC000410652481 1073782014 /nfs/dbraw/zinc/78/20/14/1073782014.db2.gz LESOSIQWBWDLSS-CVEARBPZSA-N 1 0 393.532 -0.308 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)[C@@H](C)C1 ZINC000410652482 1073781960 /nfs/dbraw/zinc/78/19/60/1073781960.db2.gz LESOSIQWBWDLSS-HOTGVXAUSA-N 1 0 393.532 -0.308 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)[C@H](C)C1 ZINC000410652483 1073782062 /nfs/dbraw/zinc/78/20/62/1073782062.db2.gz LESOSIQWBWDLSS-HZPDHXFCSA-N 1 0 393.532 -0.308 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)[C@H](C)C1 ZINC000410652484 1073782082 /nfs/dbraw/zinc/78/20/82/1073782082.db2.gz LESOSIQWBWDLSS-JKSUJKDBSA-N 1 0 393.532 -0.308 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000410658239 1073785542 /nfs/dbraw/zinc/78/55/42/1073785542.db2.gz AZNQISLLUPFKCF-CYBMUJFWSA-N 1 0 390.444 -0.731 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000410658241 1073785122 /nfs/dbraw/zinc/78/51/22/1073785122.db2.gz AZNQISLLUPFKCF-ZDUSSCGKSA-N 1 0 390.444 -0.731 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000410662217 1073782903 /nfs/dbraw/zinc/78/29/03/1073782903.db2.gz KVICUEOVQIIULH-CABCVRRESA-N 1 0 394.520 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CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)C1 ZINC000410665473 1073784765 /nfs/dbraw/zinc/78/47/65/1073784765.db2.gz VZZCCNISTQMHSK-HUUCEWRRSA-N 1 0 383.493 -0.524 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)C1 ZINC000410665474 1073784754 /nfs/dbraw/zinc/78/47/54/1073784754.db2.gz VZZCCNISTQMHSK-LSDHHAIUSA-N 1 0 383.493 -0.524 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000410665669 1073784741 /nfs/dbraw/zinc/78/47/41/1073784741.db2.gz WQBSYGUGOZEUQH-FMKPAKJESA-N 1 0 377.489 -0.008 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000410665671 1073784424 /nfs/dbraw/zinc/78/44/24/1073784424.db2.gz WQBSYGUGOZEUQH-IIAWOOMASA-N 1 0 377.489 -0.008 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000410665674 1073784778 /nfs/dbraw/zinc/78/47/78/1073784778.db2.gz WQBSYGUGOZEUQH-LZWOXQAQSA-N 1 0 377.489 -0.008 20 0 GBADRO 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COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415343628 1073193692 /nfs/dbraw/zinc/19/36/92/1073193692.db2.gz LXVFRDQMEUEIRG-NSHDSACASA-N 1 0 396.469 -0.105 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000415344131 1073195046 /nfs/dbraw/zinc/19/50/46/1073195046.db2.gz MQPPWKUYOLFLPH-AWEZNQCLSA-N 1 0 390.440 -0.317 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000415344132 1073194448 /nfs/dbraw/zinc/19/44/48/1073194448.db2.gz MQPPWKUYOLFLPH-CQSZACIVSA-N 1 0 390.440 -0.317 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000415344783 1073194944 /nfs/dbraw/zinc/19/49/44/1073194944.db2.gz OHENPGVRNUYRBT-CYBMUJFWSA-N 1 0 396.469 -0.534 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000415344784 1073194978 /nfs/dbraw/zinc/19/49/78/1073194978.db2.gz OHENPGVRNUYRBT-ZDUSSCGKSA-N 1 0 396.469 -0.534 20 0 GBADRO COC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415346873 1073194208 /nfs/dbraw/zinc/19/42/08/1073194208.db2.gz AWQZBNJNIWSPDG-GFCCVEGCSA-N 1 0 376.413 -0.275 20 0 GBADRO COC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415346877 1073193761 /nfs/dbraw/zinc/19/37/61/1073193761.db2.gz AWQZBNJNIWSPDG-LBPRGKRZSA-N 1 0 376.413 -0.275 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000415347654 1073193706 /nfs/dbraw/zinc/19/37/06/1073193706.db2.gz CHQQLFWTXPJYKR-GFCCVEGCSA-N 1 0 378.429 -0.044 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000415347655 1073193872 /nfs/dbraw/zinc/19/38/72/1073193872.db2.gz CHQQLFWTXPJYKR-LBPRGKRZSA-N 1 0 378.429 -0.044 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415348457 1073194079 /nfs/dbraw/zinc/19/40/79/1073194079.db2.gz KOEYIWAOTRGSFJ-LLVKDONJSA-N 1 0 384.458 -0.296 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415348458 1073193748 /nfs/dbraw/zinc/19/37/48/1073193748.db2.gz KOEYIWAOTRGSFJ-NSHDSACASA-N 1 0 384.458 -0.296 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000415348990 1073194843 /nfs/dbraw/zinc/19/48/43/1073194843.db2.gz WKEBXLBIBZMCIF-AWEZNQCLSA-N 1 0 389.456 -0.284 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000415348994 1073194742 /nfs/dbraw/zinc/19/47/42/1073194742.db2.gz WKEBXLBIBZMCIF-CQSZACIVSA-N 1 0 389.456 -0.284 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000415349838 1073194491 /nfs/dbraw/zinc/19/44/91/1073194491.db2.gz YABJJRDDHDBNNE-HNNXBMFYSA-N 1 0 387.484 -0.238 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000415349849 1073194651 /nfs/dbraw/zinc/19/46/51/1073194651.db2.gz YABJJRDDHDBNNE-OAHLLOKOSA-N 1 0 387.484 -0.238 20 0 GBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415355366 1073194909 /nfs/dbraw/zinc/19/49/09/1073194909.db2.gz OSTZGITXISVYLG-INIZCTEOSA-N 1 0 387.484 -0.109 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC[NH2+]C ZINC000415366129 1073196144 /nfs/dbraw/zinc/19/61/44/1073196144.db2.gz XQQBVIVUHSTBPC-UHFFFAOYSA-N 1 0 382.486 -0.058 20 0 GBADRO Cc1cc2c(cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)OCO2 ZINC000415366998 1073195645 /nfs/dbraw/zinc/19/56/45/1073195645.db2.gz GILGYKGJYPGSBN-GFCCVEGCSA-N 1 0 376.413 -0.024 20 0 GBADRO Cc1cc2c(cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)OCO2 ZINC000415367003 1073195433 /nfs/dbraw/zinc/19/54/33/1073195433.db2.gz GILGYKGJYPGSBN-LBPRGKRZSA-N 1 0 376.413 -0.024 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000415367070 1073195562 /nfs/dbraw/zinc/19/55/62/1073195562.db2.gz GPOAFNSIOWSVJM-CYBMUJFWSA-N 1 0 376.413 -0.275 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000415367072 1073195672 /nfs/dbraw/zinc/19/56/72/1073195672.db2.gz GPOAFNSIOWSVJM-ZDUSSCGKSA-N 1 0 376.413 -0.275 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000415367328 1073195419 /nfs/dbraw/zinc/19/54/19/1073195419.db2.gz HGFBUPYWDLVXNL-GFCCVEGCSA-N 1 0 378.429 -0.044 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000415367329 1073195772 /nfs/dbraw/zinc/19/57/72/1073195772.db2.gz HGFBUPYWDLVXNL-LBPRGKRZSA-N 1 0 378.429 -0.044 20 0 GBADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415367371 1073195389 /nfs/dbraw/zinc/19/53/89/1073195389.db2.gz HPPBOUAIZJEPFK-GFCCVEGCSA-N 1 0 394.403 -0.136 20 0 GBADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415367372 1073195667 /nfs/dbraw/zinc/19/56/67/1073195667.db2.gz HPPBOUAIZJEPFK-LBPRGKRZSA-N 1 0 394.403 -0.136 20 0 GBADRO CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000415367982 1073195406 /nfs/dbraw/zinc/19/54/06/1073195406.db2.gz JIKUOHODYUSANL-AWEZNQCLSA-N 1 0 378.477 0.181 20 0 GBADRO CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000415367983 1073195805 /nfs/dbraw/zinc/19/58/05/1073195805.db2.gz JIKUOHODYUSANL-CQSZACIVSA-N 1 0 378.477 0.181 20 0 GBADRO COC(=O)c1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415368360 1073195668 /nfs/dbraw/zinc/19/56/68/1073195668.db2.gz JUPRGDYIMIVRTI-LLVKDONJSA-N 1 0 394.403 -0.136 20 0 GBADRO COC(=O)c1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415368361 1073195534 /nfs/dbraw/zinc/19/55/34/1073195534.db2.gz JUPRGDYIMIVRTI-NSHDSACASA-N 1 0 394.403 -0.136 20 0 GBADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415368685 1073195691 /nfs/dbraw/zinc/19/56/91/1073195691.db2.gz KNSAEAGIYZNYLM-CYBMUJFWSA-N 1 0 376.413 -0.275 20 0 GBADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415368686 1073195724 /nfs/dbraw/zinc/19/57/24/1073195724.db2.gz KNSAEAGIYZNYLM-ZDUSSCGKSA-N 1 0 376.413 -0.275 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(F)c1 ZINC000415369881 1073196560 /nfs/dbraw/zinc/19/65/60/1073196560.db2.gz MVTRMEPNTPUDOH-GFCCVEGCSA-N 1 0 394.403 -0.136 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(F)c1 ZINC000415369882 1073196217 /nfs/dbraw/zinc/19/62/17/1073196217.db2.gz MVTRMEPNTPUDOH-LBPRGKRZSA-N 1 0 394.403 -0.136 20 0 GBADRO COc1ccc(OC)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415370314 1073195677 /nfs/dbraw/zinc/19/56/77/1073195677.db2.gz NOFMJMZTOVZXSK-GFCCVEGCSA-N 1 0 378.429 -0.044 20 0 GBADRO COc1ccc(OC)c(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415370316 1073195766 /nfs/dbraw/zinc/19/57/66/1073195766.db2.gz NOFMJMZTOVZXSK-LBPRGKRZSA-N 1 0 378.429 -0.044 20 0 GBADRO CN1CCOc2ccc(NC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc21 ZINC000415370668 1073195642 /nfs/dbraw/zinc/19/56/42/1073195642.db2.gz OHLNXNJGROWSQS-CYBMUJFWSA-N 1 0 389.456 -0.233 20 0 GBADRO CN1CCOc2ccc(NC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cc21 ZINC000415370670 1073195548 /nfs/dbraw/zinc/19/55/48/1073195548.db2.gz OHLNXNJGROWSQS-ZDUSSCGKSA-N 1 0 389.456 -0.233 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415371219 1073196548 /nfs/dbraw/zinc/19/65/48/1073196548.db2.gz SAWGEWJZZYZNAW-INIZCTEOSA-N 1 0 390.440 -0.635 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415371221 1073196455 /nfs/dbraw/zinc/19/64/55/1073196455.db2.gz SAWGEWJZZYZNAW-MRXNPFEDSA-N 1 0 390.440 -0.635 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 ZINC000415373956 1073196556 /nfs/dbraw/zinc/19/65/56/1073196556.db2.gz USYBPQHASLLMOB-AWEZNQCLSA-N 1 0 384.440 0.124 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)C1 ZINC000415373963 1073196572 /nfs/dbraw/zinc/19/65/72/1073196572.db2.gz USYBPQHASLLMOB-CQSZACIVSA-N 1 0 384.440 0.124 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)nn1-c1ccccc1 ZINC000415374218 1073196515 /nfs/dbraw/zinc/19/65/15/1073196515.db2.gz VBGRODLXWGWOMN-HNNXBMFYSA-N 1 0 398.467 0.433 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1-c1ccccc1 ZINC000415374220 1073196193 /nfs/dbraw/zinc/19/61/93/1073196193.db2.gz VBGRODLXWGWOMN-OAHLLOKOSA-N 1 0 398.467 0.433 20 0 GBADRO CC(C)(C[NH3+])NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415378016 1073196950 /nfs/dbraw/zinc/19/69/50/1073196950.db2.gz GULQEBDEBINXMH-HNNXBMFYSA-N 1 0 390.440 -0.507 20 0 GBADRO CC(C)(C[NH3+])NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415378019 1073197199 /nfs/dbraw/zinc/19/71/99/1073197199.db2.gz GULQEBDEBINXMH-OAHLLOKOSA-N 1 0 390.440 -0.507 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1)CC2 ZINC000415378540 1073197227 /nfs/dbraw/zinc/19/72/27/1073197227.db2.gz PUPUMQXYUZUQOY-CYBMUJFWSA-N 1 0 380.470 -0.306 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1)CC2 ZINC000415378543 1073197184 /nfs/dbraw/zinc/19/71/84/1073197184.db2.gz PUPUMQXYUZUQOY-ZDUSSCGKSA-N 1 0 380.470 -0.306 20 0 GBADRO C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415380326 1073197251 /nfs/dbraw/zinc/19/72/51/1073197251.db2.gz SHQPXYAAUHBHGQ-BBRMVZONSA-N 1 0 390.440 -0.507 20 0 GBADRO C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415380329 1073197120 /nfs/dbraw/zinc/19/71/20/1073197120.db2.gz SHQPXYAAUHBHGQ-XJKSGUPXSA-N 1 0 390.440 -0.507 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)CC2 ZINC000415382986 1073196576 /nfs/dbraw/zinc/19/65/76/1073196576.db2.gz SJROZVABFGSVNK-CYBMUJFWSA-N 1 0 380.470 -0.258 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000415382990 1073196225 /nfs/dbraw/zinc/19/62/25/1073196225.db2.gz SJROZVABFGSVNK-ZDUSSCGKSA-N 1 0 380.470 -0.258 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415387720 1073197224 /nfs/dbraw/zinc/19/72/24/1073197224.db2.gz YADRXZBWVNDKID-ILXRZTDVSA-N 1 0 386.452 -0.110 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415387721 1073197237 /nfs/dbraw/zinc/19/72/37/1073197237.db2.gz YADRXZBWVNDKID-KFWWJZLASA-N 1 0 386.452 -0.110 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415387722 1073197253 /nfs/dbraw/zinc/19/72/53/1073197253.db2.gz YADRXZBWVNDKID-KKUMJFAQSA-N 1 0 386.452 -0.110 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415387723 1073196914 /nfs/dbraw/zinc/19/69/14/1073196914.db2.gz YADRXZBWVNDKID-ZNMIVQPWSA-N 1 0 386.452 -0.110 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415404736 1073197732 /nfs/dbraw/zinc/19/77/32/1073197732.db2.gz BRDQZSKYZIUECJ-KKUMJFAQSA-N 1 0 388.468 -0.006 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415404737 1073197859 /nfs/dbraw/zinc/19/78/59/1073197859.db2.gz BRDQZSKYZIUECJ-RRFJBIMHSA-N 1 0 388.468 -0.006 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415404738 1073197990 /nfs/dbraw/zinc/19/79/90/1073197990.db2.gz BRDQZSKYZIUECJ-SOUVJXGZSA-N 1 0 388.468 -0.006 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415404739 1073197960 /nfs/dbraw/zinc/19/79/60/1073197960.db2.gz BRDQZSKYZIUECJ-ZNMIVQPWSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000415407825 1073198743 /nfs/dbraw/zinc/19/87/43/1073198743.db2.gz BPMMVKDGPKFLRS-LLVKDONJSA-N 1 0 396.469 -0.105 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000415407829 1073198704 /nfs/dbraw/zinc/19/87/04/1073198704.db2.gz BPMMVKDGPKFLRS-NSHDSACASA-N 1 0 396.469 -0.105 20 0 GBADRO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415412647 1073198623 /nfs/dbraw/zinc/19/86/23/1073198623.db2.gz CHBRSXCJYQSVQX-NSHDSACASA-N 1 0 392.382 0.554 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2 ZINC000415415016 1073198757 /nfs/dbraw/zinc/19/87/57/1073198757.db2.gz KXNXFTLNWLKGKO-GFCCVEGCSA-N 1 0 382.486 -0.154 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2 ZINC000415415021 1073198746 /nfs/dbraw/zinc/19/87/46/1073198746.db2.gz KXNXFTLNWLKGKO-LBPRGKRZSA-N 1 0 382.486 -0.154 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415416849 1073198645 /nfs/dbraw/zinc/19/86/45/1073198645.db2.gz LDEYZHJCYVGXTG-BBRMVZONSA-N 1 0 390.440 -0.555 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415416850 1073198754 /nfs/dbraw/zinc/19/87/54/1073198754.db2.gz LDEYZHJCYVGXTG-CJNGLKHVSA-N 1 0 390.440 -0.555 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415416851 1073198404 /nfs/dbraw/zinc/19/84/04/1073198404.db2.gz LDEYZHJCYVGXTG-CZUORRHYSA-N 1 0 390.440 -0.555 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415416852 1073198721 /nfs/dbraw/zinc/19/87/21/1073198721.db2.gz LDEYZHJCYVGXTG-XJKSGUPXSA-N 1 0 390.440 -0.555 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000415417967 1073198311 /nfs/dbraw/zinc/19/83/11/1073198311.db2.gz QYTHOVYDEYPKQL-GFCCVEGCSA-N 1 0 380.470 -0.306 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000415417969 1073198654 /nfs/dbraw/zinc/19/86/54/1073198654.db2.gz QYTHOVYDEYPKQL-LBPRGKRZSA-N 1 0 380.470 -0.306 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415424089 1073198601 /nfs/dbraw/zinc/19/86/01/1073198601.db2.gz AGZRXNQHKUXSJE-LLVKDONJSA-N 1 0 384.458 -0.296 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415424092 1073198639 /nfs/dbraw/zinc/19/86/39/1073198639.db2.gz AGZRXNQHKUXSJE-NSHDSACASA-N 1 0 384.458 -0.296 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000415426406 1073199545 /nfs/dbraw/zinc/19/95/45/1073199545.db2.gz DUWLTEQQVHJSLT-CYBMUJFWSA-N 1 0 396.469 -0.534 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000415426407 1073199558 /nfs/dbraw/zinc/19/95/58/1073199558.db2.gz DUWLTEQQVHJSLT-ZDUSSCGKSA-N 1 0 396.469 -0.534 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[NH2+]1 ZINC000415428988 1073199261 /nfs/dbraw/zinc/19/92/61/1073199261.db2.gz HWNJWZCMGUMFMZ-AWEZNQCLSA-N 1 0 389.456 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC[NH2+]1 ZINC000415428989 1073199374 /nfs/dbraw/zinc/19/93/74/1073199374.db2.gz HWNJWZCMGUMFMZ-CQSZACIVSA-N 1 0 389.456 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC000415430204 1073199450 /nfs/dbraw/zinc/19/94/50/1073199450.db2.gz IZPBTVFEJPRZTM-CYBMUJFWSA-N 1 0 396.469 -0.534 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC000415430206 1073199513 /nfs/dbraw/zinc/19/95/13/1073199513.db2.gz IZPBTVFEJPRZTM-ZDUSSCGKSA-N 1 0 396.469 -0.534 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415431325 1073199528 /nfs/dbraw/zinc/19/95/28/1073199528.db2.gz KHNSARUDTVSZHO-LLVKDONJSA-N 1 0 396.469 -0.105 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415431328 1073199483 /nfs/dbraw/zinc/19/94/83/1073199483.db2.gz KHNSARUDTVSZHO-NSHDSACASA-N 1 0 396.469 -0.105 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[NH2+]1 ZINC000415436042 1073199383 /nfs/dbraw/zinc/19/93/83/1073199383.db2.gz OAAWIADRIQAQIZ-GFCCVEGCSA-N 1 0 397.501 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC[NH2+]1 ZINC000415436047 1073199188 /nfs/dbraw/zinc/19/91/88/1073199188.db2.gz OAAWIADRIQAQIZ-LBPRGKRZSA-N 1 0 397.501 -0.238 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2 ZINC000415437441 1073200431 /nfs/dbraw/zinc/20/04/31/1073200431.db2.gz ZSAQYODVESDAMS-CYBMUJFWSA-N 1 0 382.486 -0.027 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2 ZINC000415437443 1073199987 /nfs/dbraw/zinc/19/99/87/1073199987.db2.gz ZSAQYODVESDAMS-ZDUSSCGKSA-N 1 0 382.486 -0.027 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000415438085 1073199553 /nfs/dbraw/zinc/19/95/53/1073199553.db2.gz QAHNQHZUYRTUSR-HNNXBMFYSA-N 1 0 387.484 -0.238 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000415438090 1073199428 /nfs/dbraw/zinc/19/94/28/1073199428.db2.gz QAHNQHZUYRTUSR-OAHLLOKOSA-N 1 0 387.484 -0.238 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000415440175 1073200341 /nfs/dbraw/zinc/20/03/41/1073200341.db2.gz NPBPAIWJOWGSGM-AWEZNQCLSA-N 1 0 382.486 -0.027 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000415440178 1073199926 /nfs/dbraw/zinc/19/99/26/1073199926.db2.gz NPBPAIWJOWGSGM-CQSZACIVSA-N 1 0 382.486 -0.027 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[NH2+]1 ZINC000415441997 1073200162 /nfs/dbraw/zinc/20/01/62/1073200162.db2.gz SPWHFSHNAYVQBC-AWEZNQCLSA-N 1 0 390.440 -0.317 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[NH2+]1 ZINC000415442006 1073200411 /nfs/dbraw/zinc/20/04/11/1073200411.db2.gz SPWHFSHNAYVQBC-CQSZACIVSA-N 1 0 390.440 -0.317 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000415446322 1073199940 /nfs/dbraw/zinc/19/99/40/1073199940.db2.gz GCTMTADOJSZDJM-GXTWGEPZSA-N 1 0 383.474 -0.042 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000415446842 1073200061 /nfs/dbraw/zinc/20/00/61/1073200061.db2.gz GCTMTADOJSZDJM-JSGCOSHPSA-N 1 0 383.474 -0.042 20 0 GBADRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000415446843 1073200017 /nfs/dbraw/zinc/20/00/17/1073200017.db2.gz GCTMTADOJSZDJM-OCCSQVGLSA-N 1 0 383.474 -0.042 20 0 GBADRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000415446844 1073200023 /nfs/dbraw/zinc/20/00/23/1073200023.db2.gz GCTMTADOJSZDJM-TZMCWYRMSA-N 1 0 383.474 -0.042 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415449890 1073201046 /nfs/dbraw/zinc/20/10/46/1073201046.db2.gz YYBZHJWIUBSLMA-ILXRZTDVSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415449893 1073201406 /nfs/dbraw/zinc/20/14/06/1073201406.db2.gz YYBZHJWIUBSLMA-KFWWJZLASA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415449895 1073201312 /nfs/dbraw/zinc/20/13/12/1073201312.db2.gz YYBZHJWIUBSLMA-QLFBSQMISA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415449898 1073200713 /nfs/dbraw/zinc/20/07/13/1073200713.db2.gz YYBZHJWIUBSLMA-RBSFLKMASA-N 1 0 386.452 -0.158 20 0 GBADRO COC(=O)c1ccnc(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 ZINC000415453292 1073200258 /nfs/dbraw/zinc/20/02/58/1073200258.db2.gz PHXIOHXCLHQQOG-UHFFFAOYSA-N 1 0 383.430 -0.681 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415460811 1073201693 /nfs/dbraw/zinc/20/16/93/1073201693.db2.gz AXVXGCRRMAPQOX-HNNXBMFYSA-N 1 0 390.440 -0.507 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415460812 1073202227 /nfs/dbraw/zinc/20/22/27/1073202227.db2.gz AXVXGCRRMAPQOX-OAHLLOKOSA-N 1 0 390.440 -0.507 20 0 GBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000415471897 1073202796 /nfs/dbraw/zinc/20/27/96/1073202796.db2.gz SLKWRVRIZZXZIG-QGZVFWFLSA-N 1 0 387.484 -0.109 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)CC2 ZINC000415480968 1073202749 /nfs/dbraw/zinc/20/27/49/1073202749.db2.gz AKKWAMOYUBZASS-CYBMUJFWSA-N 1 0 380.470 -0.306 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H]1C[NH2+]C)CC2 ZINC000415480969 1073202693 /nfs/dbraw/zinc/20/26/93/1073202693.db2.gz AKKWAMOYUBZASS-ZDUSSCGKSA-N 1 0 380.470 -0.306 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415506084 1073203809 /nfs/dbraw/zinc/20/38/09/1073203809.db2.gz ANKWLIRBWLYZQF-BBRMVZONSA-N 1 0 390.440 -0.650 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415506085 1073203253 /nfs/dbraw/zinc/20/32/53/1073203253.db2.gz ANKWLIRBWLYZQF-CJNGLKHVSA-N 1 0 390.440 -0.650 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415506086 1073203589 /nfs/dbraw/zinc/20/35/89/1073203589.db2.gz ANKWLIRBWLYZQF-CZUORRHYSA-N 1 0 390.440 -0.650 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415506087 1073203772 /nfs/dbraw/zinc/20/37/72/1073203772.db2.gz ANKWLIRBWLYZQF-XJKSGUPXSA-N 1 0 390.440 -0.650 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415520452 1073204208 /nfs/dbraw/zinc/20/42/08/1073204208.db2.gz HXGVATMJTGFTAV-QLFBSQMISA-N 1 0 386.452 -0.110 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415520459 1073204073 /nfs/dbraw/zinc/20/40/73/1073204073.db2.gz HXGVATMJTGFTAV-SOUVJXGZSA-N 1 0 386.452 -0.110 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 ZINC000415522881 1073204387 /nfs/dbraw/zinc/20/43/87/1073204387.db2.gz WWZAUBHOKMKSNB-UHFFFAOYSA-N 1 0 382.486 -0.010 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000415534223 1073205402 /nfs/dbraw/zinc/20/54/02/1073205402.db2.gz JPMUYSWJSNTQLN-AWEZNQCLSA-N 1 0 380.470 -0.273 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000415534226 1073205010 /nfs/dbraw/zinc/20/50/10/1073205010.db2.gz JPMUYSWJSNTQLN-CQSZACIVSA-N 1 0 380.470 -0.273 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)c2ccccc2O1 ZINC000415534774 1073205366 /nfs/dbraw/zinc/20/53/66/1073205366.db2.gz BVYVIOFZMWZDAV-INIZCTEOSA-N 1 0 392.456 -0.341 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)c2ccccc2O1 ZINC000415534775 1073205458 /nfs/dbraw/zinc/20/54/58/1073205458.db2.gz BVYVIOFZMWZDAV-MRXNPFEDSA-N 1 0 392.456 -0.341 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415537855 1073205303 /nfs/dbraw/zinc/20/53/03/1073205303.db2.gz QIQGTVKFNNMGLE-KKUMJFAQSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415537858 1073205133 /nfs/dbraw/zinc/20/51/33/1073205133.db2.gz QIQGTVKFNNMGLE-RRFJBIMHSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415537861 1073204903 /nfs/dbraw/zinc/20/49/03/1073204903.db2.gz QIQGTVKFNNMGLE-SOUVJXGZSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415537863 1073205435 /nfs/dbraw/zinc/20/54/35/1073205435.db2.gz QIQGTVKFNNMGLE-ZNMIVQPWSA-N 1 0 386.452 -0.158 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[NH2+]CCOC)CC2 ZINC000415544852 1073205147 /nfs/dbraw/zinc/20/51/47/1073205147.db2.gz HSLCZNLLUSJWAE-UHFFFAOYSA-N 1 0 398.485 -0.774 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000415546406 1073206323 /nfs/dbraw/zinc/20/63/23/1073206323.db2.gz MYANSIDWCDSCLE-UHFFFAOYSA-N 1 0 388.424 -0.017 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415563047 1073206762 /nfs/dbraw/zinc/20/67/62/1073206762.db2.gz NIUVCTUEPOZSOW-CHWSQXEVSA-N 1 0 398.485 -0.241 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415563048 1073206572 /nfs/dbraw/zinc/20/65/72/1073206572.db2.gz NIUVCTUEPOZSOW-OLZOCXBDSA-N 1 0 398.485 -0.241 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415563049 1073206842 /nfs/dbraw/zinc/20/68/42/1073206842.db2.gz NIUVCTUEPOZSOW-QWHCGFSZSA-N 1 0 398.485 -0.241 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415563052 1073206593 /nfs/dbraw/zinc/20/65/93/1073206593.db2.gz NIUVCTUEPOZSOW-STQMWFEESA-N 1 0 398.485 -0.241 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415563710 1073205965 /nfs/dbraw/zinc/20/59/65/1073205965.db2.gz NVWHWCBJQFTLCO-NEPJUHHUSA-N 1 0 398.485 -0.108 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415563714 1073206404 /nfs/dbraw/zinc/20/64/04/1073206404.db2.gz NVWHWCBJQFTLCO-NWDGAFQWSA-N 1 0 398.485 -0.108 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415563716 1073206248 /nfs/dbraw/zinc/20/62/48/1073206248.db2.gz NVWHWCBJQFTLCO-RYUDHWBXSA-N 1 0 398.485 -0.108 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415563718 1073206306 /nfs/dbraw/zinc/20/63/06/1073206306.db2.gz NVWHWCBJQFTLCO-VXGBXAGGSA-N 1 0 398.485 -0.108 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1([NH3+])CCC1)CC2 ZINC000415564016 1073206176 /nfs/dbraw/zinc/20/61/76/1073206176.db2.gz RUFGMIJGIFFMGL-UHFFFAOYSA-N 1 0 380.470 -0.129 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415571764 1073206928 /nfs/dbraw/zinc/20/69/28/1073206928.db2.gz UGGNFDSTROETIN-NEPJUHHUSA-N 1 0 376.413 -0.263 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415571765 1073206942 /nfs/dbraw/zinc/20/69/42/1073206942.db2.gz UGGNFDSTROETIN-NWDGAFQWSA-N 1 0 376.413 -0.263 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415571766 1073206747 /nfs/dbraw/zinc/20/67/47/1073206747.db2.gz UGGNFDSTROETIN-RYUDHWBXSA-N 1 0 376.413 -0.263 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415571767 1073206885 /nfs/dbraw/zinc/20/68/85/1073206885.db2.gz UGGNFDSTROETIN-VXGBXAGGSA-N 1 0 376.413 -0.263 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415577809 1073206873 /nfs/dbraw/zinc/20/68/73/1073206873.db2.gz ZFKXQLTWNYOHRU-CHWSQXEVSA-N 1 0 390.440 -0.334 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415577819 1073206551 /nfs/dbraw/zinc/20/65/51/1073206551.db2.gz ZFKXQLTWNYOHRU-OLZOCXBDSA-N 1 0 390.440 -0.334 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415577822 1073206953 /nfs/dbraw/zinc/20/69/53/1073206953.db2.gz ZFKXQLTWNYOHRU-QWHCGFSZSA-N 1 0 390.440 -0.334 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415577826 1073207158 /nfs/dbraw/zinc/20/71/58/1073207158.db2.gz ZFKXQLTWNYOHRU-STQMWFEESA-N 1 0 390.440 -0.334 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CCO1 ZINC000415598198 1073210355 /nfs/dbraw/zinc/21/03/55/1073210355.db2.gz KHWSYLFBAQNLQV-CYBMUJFWSA-N 1 0 386.408 -0.183 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CCO1 ZINC000415598207 1073210225 /nfs/dbraw/zinc/21/02/25/1073210225.db2.gz KHWSYLFBAQNLQV-ZDUSSCGKSA-N 1 0 386.408 -0.183 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000415601954 1073210198 /nfs/dbraw/zinc/21/01/98/1073210198.db2.gz JVIZKQPFZQJTDR-AWEZNQCLSA-N 1 0 398.485 -0.158 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000415601958 1073212106 /nfs/dbraw/zinc/21/21/06/1073212106.db2.gz JVIZKQPFZQJTDR-CQSZACIVSA-N 1 0 398.485 -0.158 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2O1 ZINC000415610978 1073213050 /nfs/dbraw/zinc/21/30/50/1073213050.db2.gz WVGFURBXVNADLS-BBRMVZONSA-N 1 0 390.440 -0.507 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2O1 ZINC000415610982 1073212733 /nfs/dbraw/zinc/21/27/33/1073212733.db2.gz WVGFURBXVNADLS-CJNGLKHVSA-N 1 0 390.440 -0.507 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2O1 ZINC000415610984 1073212943 /nfs/dbraw/zinc/21/29/43/1073212943.db2.gz WVGFURBXVNADLS-CZUORRHYSA-N 1 0 390.440 -0.507 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2O1 ZINC000415610985 1073212899 /nfs/dbraw/zinc/21/28/99/1073212899.db2.gz WVGFURBXVNADLS-XJKSGUPXSA-N 1 0 390.440 -0.507 20 0 GBADRO CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000415612981 1073212321 /nfs/dbraw/zinc/21/23/21/1073212321.db2.gz ZVWPHCUNBHSBFS-AWEZNQCLSA-N 1 0 398.485 -0.110 20 0 GBADRO CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000415612986 1073211791 /nfs/dbraw/zinc/21/17/91/1073211791.db2.gz ZVWPHCUNBHSBFS-CQSZACIVSA-N 1 0 398.485 -0.110 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000415624914 1073214218 /nfs/dbraw/zinc/21/42/18/1073214218.db2.gz OVXMKCGSTOYQAJ-DOMZBBRYSA-N 1 0 394.497 -0.012 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000415624920 1073214024 /nfs/dbraw/zinc/21/40/24/1073214024.db2.gz OVXMKCGSTOYQAJ-IUODEOHRSA-N 1 0 394.497 -0.012 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000415624923 1073213662 /nfs/dbraw/zinc/21/36/62/1073213662.db2.gz OVXMKCGSTOYQAJ-SWLSCSKDSA-N 1 0 394.497 -0.012 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000415624926 1073213957 /nfs/dbraw/zinc/21/39/57/1073213957.db2.gz OVXMKCGSTOYQAJ-WFASDCNBSA-N 1 0 394.497 -0.012 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000415625973 1073213634 /nfs/dbraw/zinc/21/36/34/1073213634.db2.gz QHLCUIGBXBNMJS-BXUZGUMPSA-N 1 0 380.470 -0.402 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000415625974 1073213652 /nfs/dbraw/zinc/21/36/52/1073213652.db2.gz QHLCUIGBXBNMJS-FZMZJTMJSA-N 1 0 380.470 -0.402 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000415625975 1073214147 /nfs/dbraw/zinc/21/41/47/1073214147.db2.gz QHLCUIGBXBNMJS-RISCZKNCSA-N 1 0 380.470 -0.402 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000415625976 1073213954 /nfs/dbraw/zinc/21/39/54/1073213954.db2.gz QHLCUIGBXBNMJS-SMDDNHRTSA-N 1 0 380.470 -0.402 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)CC2 ZINC000415627995 1073214034 /nfs/dbraw/zinc/21/40/34/1073214034.db2.gz ZDOBTYFCDDZOMS-CYBMUJFWSA-N 1 0 380.470 -0.258 20 0 GBADRO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415637239 1073215135 /nfs/dbraw/zinc/21/51/35/1073215135.db2.gz ZZEZTVXKQOWSAS-CALCHBBNSA-N 1 0 385.468 -0.090 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415641500 1073215930 /nfs/dbraw/zinc/21/59/30/1073215930.db2.gz YYBZHJWIUBSLMA-KKUMJFAQSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415641501 1073215798 /nfs/dbraw/zinc/21/57/98/1073215798.db2.gz YYBZHJWIUBSLMA-RRFJBIMHSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415641502 1073215509 /nfs/dbraw/zinc/21/55/09/1073215509.db2.gz YYBZHJWIUBSLMA-SOUVJXGZSA-N 1 0 386.452 -0.158 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]1 ZINC000415641503 1073215453 /nfs/dbraw/zinc/21/54/53/1073215453.db2.gz YYBZHJWIUBSLMA-ZNMIVQPWSA-N 1 0 386.452 -0.158 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415645323 1073214826 /nfs/dbraw/zinc/21/48/26/1073214826.db2.gz HXGVATMJTGFTAV-RBSFLKMASA-N 1 0 386.452 -0.110 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415645326 1073214998 /nfs/dbraw/zinc/21/49/98/1073214998.db2.gz HXGVATMJTGFTAV-RRFJBIMHSA-N 1 0 386.452 -0.110 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)[NH2+]CC)CC2 ZINC000415657537 1073215814 /nfs/dbraw/zinc/21/58/14/1073215814.db2.gz NZFNHASVZXOTBX-GFCCVEGCSA-N 1 0 382.486 -0.012 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000415661433 1073215885 /nfs/dbraw/zinc/21/58/85/1073215885.db2.gz UYZBFGZWEUOTNA-OKILXGFUSA-N 1 0 392.481 -0.448 20 0 GBADRO O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415667474 1073215790 /nfs/dbraw/zinc/21/57/90/1073215790.db2.gz AMCJXQBGEPAZJS-PHIMTYICSA-N 1 0 396.444 -0.117 20 0 GBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415667938 1073215897 /nfs/dbraw/zinc/21/58/97/1073215897.db2.gz BNJPIHGMPOEQDZ-BETUJISGSA-N 1 0 380.470 -0.009 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2O1 ZINC000415673420 1073216416 /nfs/dbraw/zinc/21/64/16/1073216416.db2.gz MSLWUNONDLUWSN-JKIFEVAISA-N 1 0 386.452 -0.015 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2O1 ZINC000415673421 1073216716 /nfs/dbraw/zinc/21/67/16/1073216716.db2.gz MSLWUNONDLUWSN-VBQJREDUSA-N 1 0 386.452 -0.015 20 0 GBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)nn1 ZINC000415674329 1073216376 /nfs/dbraw/zinc/21/63/76/1073216376.db2.gz ODAJHGQSZLCJRI-TXEJJXNPSA-N 1 0 384.396 -0.330 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000415694460 1073218416 /nfs/dbraw/zinc/21/84/16/1073218416.db2.gz ZUOFNEITOFKGOF-BXUZGUMPSA-N 1 0 380.470 -0.260 20 0 GBADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415694989 1073218353 /nfs/dbraw/zinc/21/83/53/1073218353.db2.gz PTZBICDFQOPVOH-UHFFFAOYSA-N 1 0 387.440 0.565 20 0 GBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415702523 1073218278 /nfs/dbraw/zinc/21/82/78/1073218278.db2.gz CTYAXGQNJHIJEG-CYBMUJFWSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415702524 1073218388 /nfs/dbraw/zinc/21/83/88/1073218388.db2.gz CTYAXGQNJHIJEG-ZDUSSCGKSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000415708300 1073218059 /nfs/dbraw/zinc/21/80/59/1073218059.db2.gz LCLLBUWFAHVUDK-AWEZNQCLSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000415708301 1073218334 /nfs/dbraw/zinc/21/83/34/1073218334.db2.gz LCLLBUWFAHVUDK-CQSZACIVSA-N 1 0 390.440 -0.074 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415708422 1073218427 /nfs/dbraw/zinc/21/84/27/1073218427.db2.gz LLRGASORUWGNPZ-INIZCTEOSA-N 1 0 398.471 -0.195 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000415708424 1073218231 /nfs/dbraw/zinc/21/82/31/1073218231.db2.gz LLRGASORUWGNPZ-MRXNPFEDSA-N 1 0 398.471 -0.195 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@]2(COC)CCC[NH2+]2)c2ccccc2O1 ZINC000415714822 1073219110 /nfs/dbraw/zinc/21/91/10/1073219110.db2.gz YKECANLHSDEPEB-BEFAXECRSA-N 1 0 390.440 -0.589 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@]2(COC)CCC[NH2+]2)c2ccccc2O1 ZINC000415714823 1073218973 /nfs/dbraw/zinc/21/89/73/1073218973.db2.gz YKECANLHSDEPEB-DNVCBOLYSA-N 1 0 390.440 -0.589 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@]2(COC)CCC[NH2+]2)c2ccccc2O1 ZINC000415714824 1073219034 /nfs/dbraw/zinc/21/90/34/1073219034.db2.gz YKECANLHSDEPEB-HNAYVOBHSA-N 1 0 390.440 -0.589 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@]2(COC)CCC[NH2+]2)c2ccccc2O1 ZINC000415714826 1073219159 /nfs/dbraw/zinc/21/91/59/1073219159.db2.gz YKECANLHSDEPEB-KXBFYZLASA-N 1 0 390.440 -0.589 20 0 GBADRO COC[C@]1(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC[NH2+]1 ZINC000415721576 530270300 /nfs/dbraw/zinc/27/03/00/530270300.db2.gz JUIMOIRCHUXLEL-CMPLNLGQSA-N 1 0 390.428 -0.124 20 0 GBADRO COC[C@@]1(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC[NH2+]1 ZINC000415721577 530270275 /nfs/dbraw/zinc/27/02/75/530270275.db2.gz JUIMOIRCHUXLEL-JQWIXIFHSA-N 1 0 390.428 -0.124 20 0 GBADRO COC[C@@]1(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC[NH2+]1 ZINC000415721578 530270470 /nfs/dbraw/zinc/27/04/70/530270470.db2.gz JUIMOIRCHUXLEL-PWSUYJOCSA-N 1 0 390.428 -0.124 20 0 GBADRO COC[C@]1(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC[NH2+]1 ZINC000415721579 530270406 /nfs/dbraw/zinc/27/04/06/530270406.db2.gz JUIMOIRCHUXLEL-ZYHUDNBSSA-N 1 0 390.428 -0.124 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000415726797 1073219001 /nfs/dbraw/zinc/21/90/01/1073219001.db2.gz PCHHGUURGNGSAS-AWEZNQCLSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000415726800 1073219175 /nfs/dbraw/zinc/21/91/75/1073219175.db2.gz PCHHGUURGNGSAS-CQSZACIVSA-N 1 0 390.440 -0.074 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)C(F)(F)F ZINC000415729324 530270393 /nfs/dbraw/zinc/27/03/93/530270393.db2.gz UTKGPMTVMOJJRG-LLVKDONJSA-N 1 0 389.444 -0.597 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)C(F)(F)F ZINC000415729330 530270469 /nfs/dbraw/zinc/27/04/69/530270469.db2.gz UTKGPMTVMOJJRG-NSHDSACASA-N 1 0 389.444 -0.597 20 0 GBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415729750 1073219053 /nfs/dbraw/zinc/21/90/53/1073219053.db2.gz CAGBDEOPMDSPQV-UHFFFAOYSA-N 1 0 387.484 -0.238 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415730310 1073219791 /nfs/dbraw/zinc/21/97/91/1073219791.db2.gz VKWCVWITATXJGW-INIZCTEOSA-N 1 0 398.471 -0.195 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415730312 1073219850 /nfs/dbraw/zinc/21/98/50/1073219850.db2.gz VKWCVWITATXJGW-MRXNPFEDSA-N 1 0 398.471 -0.195 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)C1C[NH2+]C1 ZINC000415730460 1073219742 /nfs/dbraw/zinc/21/97/42/1073219742.db2.gz DGOUPVSPUDLHGH-UHFFFAOYSA-N 1 0 399.451 -0.131 20 0 GBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415730633 1073218959 /nfs/dbraw/zinc/21/89/59/1073218959.db2.gz DQRDXYLUXGSSEH-UHFFFAOYSA-N 1 0 383.474 -0.628 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415732487 1073219901 /nfs/dbraw/zinc/21/99/01/1073219901.db2.gz HMUSKMLUOXWJDN-UHFFFAOYSA-N 1 0 382.442 -0.495 20 0 GBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415733353 1073218892 /nfs/dbraw/zinc/21/88/92/1073218892.db2.gz WWOMFORYPYIWSA-CYBMUJFWSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415733355 1073218933 /nfs/dbraw/zinc/21/89/33/1073218933.db2.gz WWOMFORYPYIWSA-ZDUSSCGKSA-N 1 0 390.440 -0.074 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C)CC2 ZINC000415733390 1073219675 /nfs/dbraw/zinc/21/96/75/1073219675.db2.gz WTQKBLYGIKALSJ-FZMZJTMJSA-N 1 0 380.470 -0.178 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000415734523 1073219914 /nfs/dbraw/zinc/21/99/14/1073219914.db2.gz YEURTAOFPNDHMV-AWEZNQCLSA-N 1 0 390.440 -0.074 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000415734526 1073219696 /nfs/dbraw/zinc/21/96/96/1073219696.db2.gz YEURTAOFPNDHMV-CQSZACIVSA-N 1 0 390.440 -0.074 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415740352 1073219812 /nfs/dbraw/zinc/21/98/12/1073219812.db2.gz WSYWEWKWCFJEAL-UHFFFAOYSA-N 1 0 396.469 -0.615 20 0 GBADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000415742504 1073219835 /nfs/dbraw/zinc/21/98/35/1073219835.db2.gz KVRCCSCCUYLFCH-AAEUAGOBSA-N 1 0 397.501 -0.111 20 0 GBADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415743450 1073219644 /nfs/dbraw/zinc/21/96/44/1073219644.db2.gz NIKFPHGZWJCDPB-UHFFFAOYSA-N 1 0 384.458 -0.296 20 0 GBADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415743798 1073219892 /nfs/dbraw/zinc/21/98/92/1073219892.db2.gz NMLVVGRCFQCEIW-UHFFFAOYSA-N 1 0 376.413 -0.322 20 0 GBADRO CN(C(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)C1C[NH2+]C1 ZINC000415744813 530178927 /nfs/dbraw/zinc/17/89/27/530178927.db2.gz PNOGDAUZTRXTHE-UHFFFAOYSA-N 1 0 393.245 0.458 20 0 GBADRO CN(C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)C1C[NH2+]C1 ZINC000415747300 1073220588 /nfs/dbraw/zinc/22/05/88/1073220588.db2.gz VDKNCGKLNBNVNI-INIZCTEOSA-N 1 0 388.424 -0.930 20 0 GBADRO CN(C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C1C[NH2+]C1 ZINC000415747302 1073220639 /nfs/dbraw/zinc/22/06/39/1073220639.db2.gz VDKNCGKLNBNVNI-MRXNPFEDSA-N 1 0 388.424 -0.930 20 0 GBADRO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415749400 1073093958 /nfs/dbraw/zinc/09/39/58/1073093958.db2.gz ZSJOIEDMPUOVEN-UHFFFAOYSA-N 1 0 375.429 -0.232 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)C1CC([NH3+])C1)CC2 ZINC000415794838 1073222515 /nfs/dbraw/zinc/22/25/15/1073222515.db2.gz XEDOKAYYBMAVDF-UHFFFAOYSA-N 1 0 380.470 -0.178 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415795550 1073222201 /nfs/dbraw/zinc/22/22/01/1073222201.db2.gz XZQMSXOYKLHMLD-BBRMVZONSA-N 1 0 390.440 -0.507 20 0 GBADRO CC[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415795551 1073222485 /nfs/dbraw/zinc/22/24/85/1073222485.db2.gz XZQMSXOYKLHMLD-CJNGLKHVSA-N 1 0 390.440 -0.507 20 0 GBADRO CC[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415795552 1073222161 /nfs/dbraw/zinc/22/21/61/1073222161.db2.gz XZQMSXOYKLHMLD-CZUORRHYSA-N 1 0 390.440 -0.507 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415795553 1073221959 /nfs/dbraw/zinc/22/19/59/1073221959.db2.gz XZQMSXOYKLHMLD-XJKSGUPXSA-N 1 0 390.440 -0.507 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C1CC([NH3+])C1 ZINC000415795901 1073222417 /nfs/dbraw/zinc/22/24/17/1073222417.db2.gz YPUJJVGQLQADFP-UHFFFAOYSA-N 1 0 387.484 -0.110 20 0 GBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415795988 1073222112 /nfs/dbraw/zinc/22/21/12/1073222112.db2.gz ZBJPOIPYUPPRPN-UHFFFAOYSA-N 1 0 397.501 -0.111 20 0 GBADRO CN(C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC([NH3+])C1 ZINC000415804161 1073223484 /nfs/dbraw/zinc/22/34/84/1073223484.db2.gz HYYALTQHHHCDEV-FEWQNLEASA-N 1 0 386.452 -0.030 20 0 GBADRO CN(C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)C1CC([NH3+])C1 ZINC000415804162 1073223301 /nfs/dbraw/zinc/22/33/01/1073223301.db2.gz HYYALTQHHHCDEV-FGZQJIAISA-N 1 0 386.452 -0.030 20 0 GBADRO CN(C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC([NH3+])C1 ZINC000415804163 1073223335 /nfs/dbraw/zinc/22/33/35/1073223335.db2.gz HYYALTQHHHCDEV-JLVJUDLZSA-N 1 0 386.452 -0.030 20 0 GBADRO CN(C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21)C1CC([NH3+])C1 ZINC000415804164 1073223235 /nfs/dbraw/zinc/22/32/35/1073223235.db2.gz HYYALTQHHHCDEV-LQULJDIASA-N 1 0 386.452 -0.030 20 0 GBADRO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)nn1 ZINC000415814760 1073222857 /nfs/dbraw/zinc/22/28/57/1073222857.db2.gz JGDCOMGZMFUWLB-ABAIWWIYSA-N 1 0 384.396 -0.187 20 0 GBADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415814883 1073223058 /nfs/dbraw/zinc/22/30/58/1073223058.db2.gz VVQOPZCNXIHZOO-HEHGZKQESA-N 1 0 390.440 -0.509 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@H](C)[NH3+] ZINC000415814884 1073223190 /nfs/dbraw/zinc/22/31/90/1073223190.db2.gz VVQOPZCNXIHZOO-WOSRLPQWSA-N 1 0 390.440 -0.509 20 0 GBADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000415814885 1073223001 /nfs/dbraw/zinc/22/30/01/1073223001.db2.gz VVQOPZCNXIHZOO-XEZPLFJOSA-N 1 0 390.440 -0.509 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@H](C)[NH3+] ZINC000415814886 1073223477 /nfs/dbraw/zinc/22/34/77/1073223477.db2.gz VVQOPZCNXIHZOO-ZENOOKHLSA-N 1 0 390.440 -0.509 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000415817339 1073223942 /nfs/dbraw/zinc/22/39/42/1073223942.db2.gz PWBNVJBTHVSQPV-CJNGLKHVSA-N 1 0 392.481 -0.306 20 0 GBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000415818155 1073223920 /nfs/dbraw/zinc/22/39/20/1073223920.db2.gz SLFGBYHNDJMDTI-AEFFLSMTSA-N 1 0 399.495 -0.238 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415818953 1073224014 /nfs/dbraw/zinc/22/40/14/1073224014.db2.gz XDLAAWHJYFDVIP-ADAWSYLGSA-N 1 0 398.463 -0.158 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415818954 1073223914 /nfs/dbraw/zinc/22/39/14/1073223914.db2.gz XDLAAWHJYFDVIP-BSXFFOKHSA-N 1 0 398.463 -0.158 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000415818955 1073224258 /nfs/dbraw/zinc/22/42/58/1073224258.db2.gz XDLAAWHJYFDVIP-FSZRXZPDSA-N 1 0 398.463 -0.158 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000415818956 1073223734 /nfs/dbraw/zinc/22/37/34/1073223734.db2.gz XDLAAWHJYFDVIP-LLDVTBCESA-N 1 0 398.463 -0.158 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415820165 1073223896 /nfs/dbraw/zinc/22/38/96/1073223896.db2.gz AIQKMWLFZRDWRR-UHFFFAOYSA-N 1 0 390.440 -0.333 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415822190 1073224078 /nfs/dbraw/zinc/22/40/78/1073224078.db2.gz KXJLLQILAGSCSK-UHFFFAOYSA-N 1 0 398.485 -0.240 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415823043 1073224858 /nfs/dbraw/zinc/22/48/58/1073224858.db2.gz OOSQNSKKUXANSR-UHFFFAOYSA-N 1 0 398.485 -0.107 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415824796 1073224889 /nfs/dbraw/zinc/22/48/89/1073224889.db2.gz XANHNRAPLIHHMV-UHFFFAOYSA-N 1 0 376.413 -0.262 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000415853506 1073226417 /nfs/dbraw/zinc/22/64/17/1073226417.db2.gz LQCHJIXQQQAOTN-GFCCVEGCSA-N 1 0 376.848 0.484 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000415853507 1073226449 /nfs/dbraw/zinc/22/64/49/1073226449.db2.gz LQCHJIXQQQAOTN-LBPRGKRZSA-N 1 0 376.848 0.484 20 0 GBADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415854608 1073226657 /nfs/dbraw/zinc/22/66/57/1073226657.db2.gz NJXFSOBLOHNYMC-CYBMUJFWSA-N 1 0 386.460 -0.121 20 0 GBADRO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415854609 1073226184 /nfs/dbraw/zinc/22/61/84/1073226184.db2.gz NJXFSOBLOHNYMC-ZDUSSCGKSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)S(N)(=O)=O ZINC000415856149 1073226429 /nfs/dbraw/zinc/22/64/29/1073226429.db2.gz DPOVAINEYQHZIY-GDLCADMTSA-N 1 0 386.449 -0.738 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)S(N)(=O)=O ZINC000415856152 1073226522 /nfs/dbraw/zinc/22/65/22/1073226522.db2.gz DPOVAINEYQHZIY-HONMWMINSA-N 1 0 386.449 -0.738 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)nn1-c1ccc(F)cc1F ZINC000415858409 1073227957 /nfs/dbraw/zinc/22/79/57/1073227957.db2.gz FDJMAEGVHVPRAQ-GFCCVEGCSA-N 1 0 379.367 0.502 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)nn1-c1ccc(F)cc1F ZINC000415858410 1073227909 /nfs/dbraw/zinc/22/79/09/1073227909.db2.gz FDJMAEGVHVPRAQ-LBPRGKRZSA-N 1 0 379.367 0.502 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[NH2+]C1CC1)CC2 ZINC000415859767 1073227060 /nfs/dbraw/zinc/22/70/60/1073227060.db2.gz NTNQFHVVNGFGPA-UHFFFAOYSA-N 1 0 380.470 -0.258 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)CC2 ZINC000415860075 1073227049 /nfs/dbraw/zinc/22/70/49/1073227049.db2.gz BSVNQSNPAXODQS-CYBMUJFWSA-N 1 0 380.470 -0.258 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)CC2 ZINC000415860076 1073227466 /nfs/dbraw/zinc/22/74/66/1073227466.db2.gz BSVNQSNPAXODQS-ZDUSSCGKSA-N 1 0 380.470 -0.258 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)nn1-c1ccc(F)cc1F ZINC000415862999 1073227440 /nfs/dbraw/zinc/22/74/40/1073227440.db2.gz XCHNVPZGYPZENH-CYBMUJFWSA-N 1 0 392.410 0.417 20 0 GBADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)nn1-c1ccc(F)cc1F ZINC000415863007 1073227247 /nfs/dbraw/zinc/22/72/47/1073227247.db2.gz XCHNVPZGYPZENH-ZDUSSCGKSA-N 1 0 392.410 0.417 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000415873962 1073228735 /nfs/dbraw/zinc/22/87/35/1073228735.db2.gz ZTLWTTXOAOIEDW-BBRMVZONSA-N 1 0 390.440 -0.589 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000415873966 1073228837 /nfs/dbraw/zinc/22/88/37/1073228837.db2.gz ZTLWTTXOAOIEDW-CJNGLKHVSA-N 1 0 390.440 -0.589 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000415873969 1073229254 /nfs/dbraw/zinc/22/92/54/1073229254.db2.gz ZTLWTTXOAOIEDW-CZUORRHYSA-N 1 0 390.440 -0.589 20 0 GBADRO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000415873971 1073228951 /nfs/dbraw/zinc/22/89/51/1073228951.db2.gz ZTLWTTXOAOIEDW-XJKSGUPXSA-N 1 0 390.440 -0.589 20 0 GBADRO O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415884211 1073229839 /nfs/dbraw/zinc/22/98/39/1073229839.db2.gz CVMLZZZMXHPRCV-UHFFFAOYSA-N 1 0 388.468 -0.299 20 0 GBADRO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCOC3(C[NH2+]C3)C1)OCO2 ZINC000415889614 1073230917 /nfs/dbraw/zinc/23/09/17/1073230917.db2.gz GGXKIQZQIOETIS-UHFFFAOYSA-N 1 0 377.353 -0.659 20 0 GBADRO CCOc1cc2c(cc1NC(=O)C(=O)N1CCOC3(C[NH2+]C3)C1)OCCO2 ZINC000415890411 1073098245 /nfs/dbraw/zinc/09/82/45/1073098245.db2.gz IAPDEICDVQVWAS-UHFFFAOYSA-N 1 0 377.397 -0.004 20 0 GBADRO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415897041 1073231670 /nfs/dbraw/zinc/23/16/70/1073231670.db2.gz RPLCUMNGKIJMAZ-UHFFFAOYSA-N 1 0 383.412 -0.186 20 0 GBADRO O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415898978 1073231656 /nfs/dbraw/zinc/23/16/56/1073231656.db2.gz UHRLABLFDHWSBI-UHFFFAOYSA-N 1 0 398.419 -0.168 20 0 GBADRO C[NH2+]Cc1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000415931556 1073232879 /nfs/dbraw/zinc/23/28/79/1073232879.db2.gz MDRRVEUUZYOINB-UHFFFAOYSA-N 1 0 389.456 -0.059 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415947466 1073098301 /nfs/dbraw/zinc/09/83/01/1073098301.db2.gz AIMQCWUBZOFGNZ-UHFFFAOYSA-N 1 0 376.465 -0.828 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948116 1073234613 /nfs/dbraw/zinc/23/46/13/1073234613.db2.gz BTSMFWWCQUMVDD-UHFFFAOYSA-N 1 0 385.494 -0.321 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415948598 1073097885 /nfs/dbraw/zinc/09/78/85/1073097885.db2.gz DGLRBFYIVWPTQR-UHFFFAOYSA-N 1 0 390.492 -0.440 20 0 GBADRO CCN(CCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)S(C)(=O)=O ZINC000415949252 1073234656 /nfs/dbraw/zinc/23/46/56/1073234656.db2.gz FRHHGZXYXIXWCD-UHFFFAOYSA-N 1 0 385.494 -0.321 20 0 GBADRO CC(C)[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N1CCOCC1 ZINC000415949285 1073234311 /nfs/dbraw/zinc/23/43/11/1073234311.db2.gz FWJMEPOQKCFYAL-HNNXBMFYSA-N 1 0 391.476 -0.109 20 0 GBADRO CC(C)[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N1CCOCC1 ZINC000415949290 1073234624 /nfs/dbraw/zinc/23/46/24/1073234624.db2.gz FWJMEPOQKCFYAL-OAHLLOKOSA-N 1 0 391.476 -0.109 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)C1 ZINC000415949664 1073234409 /nfs/dbraw/zinc/23/44/09/1073234409.db2.gz GEXWIVXKAHZANB-CYBMUJFWSA-N 1 0 397.505 -0.226 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415950667 1073234546 /nfs/dbraw/zinc/23/45/46/1073234546.db2.gz IDBOYXQUOODRFO-UHFFFAOYSA-N 1 0 391.476 -0.013 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951749 1073235099 /nfs/dbraw/zinc/23/50/99/1073235099.db2.gz JHAVSINOFRCSHS-AWEZNQCLSA-N 1 0 397.505 -0.178 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951754 1073235086 /nfs/dbraw/zinc/23/50/86/1073235086.db2.gz JHAVSINOFRCSHS-CQSZACIVSA-N 1 0 397.505 -0.178 20 0 GBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951878 1073234595 /nfs/dbraw/zinc/23/45/95/1073234595.db2.gz JRERQRFVPKBOHO-AWEZNQCLSA-N 1 0 397.505 -0.178 20 0 GBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951880 1073234628 /nfs/dbraw/zinc/23/46/28/1073234628.db2.gz JRERQRFVPKBOHO-CQSZACIVSA-N 1 0 397.505 -0.178 20 0 GBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951900 1073234330 /nfs/dbraw/zinc/23/43/30/1073234330.db2.gz JTNLJYPOOBUQBA-KBPBESRZSA-N 1 0 397.505 -0.132 20 0 GBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951901 1073234636 /nfs/dbraw/zinc/23/46/36/1073234636.db2.gz JTNLJYPOOBUQBA-KGLIPLIRSA-N 1 0 397.505 -0.132 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951902 1073235202 /nfs/dbraw/zinc/23/52/02/1073235202.db2.gz JTNLJYPOOBUQBA-UONOGXRCSA-N 1 0 397.505 -0.132 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415951904 1073235276 /nfs/dbraw/zinc/23/52/76/1073235276.db2.gz JTNLJYPOOBUQBA-ZIAGYGMSSA-N 1 0 397.505 -0.132 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952246 1073235233 /nfs/dbraw/zinc/23/52/33/1073235233.db2.gz KJWRDCPFECXUML-GXTWGEPZSA-N 1 0 397.505 -0.274 20 0 GBADRO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952256 1073235023 /nfs/dbraw/zinc/23/50/23/1073235023.db2.gz KJWRDCPFECXUML-JSGCOSHPSA-N 1 0 397.505 -0.274 20 0 GBADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952258 1073235103 /nfs/dbraw/zinc/23/51/03/1073235103.db2.gz KJWRDCPFECXUML-OCCSQVGLSA-N 1 0 397.505 -0.274 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952260 1073235139 /nfs/dbraw/zinc/23/51/39/1073235139.db2.gz KJWRDCPFECXUML-TZMCWYRMSA-N 1 0 397.505 -0.274 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2=O)n1 ZINC000415952277 1073235113 /nfs/dbraw/zinc/23/51/13/1073235113.db2.gz KLZIRBYFEPIHFM-AWEZNQCLSA-N 1 0 399.459 -0.063 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C2=O)n1 ZINC000415952281 1073235296 /nfs/dbraw/zinc/23/52/96/1073235296.db2.gz KLZIRBYFEPIHFM-CQSZACIVSA-N 1 0 399.459 -0.063 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415952291 1073234962 /nfs/dbraw/zinc/23/49/62/1073234962.db2.gz KMPFIAQZSCBARV-UHFFFAOYSA-N 1 0 397.505 -0.273 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415953892 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384.506 -0.430 20 0 GBADRO C[NH2+]CCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417051154 1073295531 /nfs/dbraw/zinc/29/55/31/1073295531.db2.gz MUXITOBBVXXCCE-UHFFFAOYSA-N 1 0 384.506 -0.558 20 0 GBADRO [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000417051428 1073296201 /nfs/dbraw/zinc/29/62/01/1073296201.db2.gz NPIBHWDBTVHQAQ-HNNXBMFYSA-N 1 0 396.517 -0.430 20 0 GBADRO [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000417051429 1073296029 /nfs/dbraw/zinc/29/60/29/1073296029.db2.gz NPIBHWDBTVHQAQ-OAHLLOKOSA-N 1 0 396.517 -0.430 20 0 GBADRO C[C@@H](CCC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417051892 1073295589 /nfs/dbraw/zinc/29/55/89/1073295589.db2.gz OOYYFAAZWXLFDY-HNNXBMFYSA-N 1 0 398.533 -0.040 20 0 GBADRO C[C@H](CCC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417051893 1073295107 /nfs/dbraw/zinc/29/51/07/1073295107.db2.gz OOYYFAAZWXLFDY-OAHLLOKOSA-N 1 0 398.533 -0.040 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417052298 1073295284 /nfs/dbraw/zinc/29/52/84/1073295284.db2.gz PKZZHYXPIJPIMT-AWEZNQCLSA-N 1 0 384.506 -0.430 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417052299 1073295563 /nfs/dbraw/zinc/29/55/63/1073295563.db2.gz PKZZHYXPIJPIMT-CQSZACIVSA-N 1 0 384.506 -0.430 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417052328 1073295581 /nfs/dbraw/zinc/29/55/81/1073295581.db2.gz PRAJQMZVSYXINQ-OAHLLOKOSA-N 1 0 398.533 -0.169 20 0 GBADRO CC[NH2+]CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417056093 1073114674 /nfs/dbraw/zinc/11/46/74/1073114674.db2.gz YNWLIRSYHDSBLW-UHFFFAOYSA-N 1 0 384.506 -0.558 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417056153 1073296245 /nfs/dbraw/zinc/29/62/45/1073296245.db2.gz YWPAUYJXULJXCF-HNNXBMFYSA-N 1 0 398.533 -0.184 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417056159 1073114808 /nfs/dbraw/zinc/11/48/08/1073114808.db2.gz YWPAUYJXULJXCF-OAHLLOKOSA-N 1 0 398.533 -0.184 20 0 GBADRO [NH3+]C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCC1 ZINC000417056423 1073295861 /nfs/dbraw/zinc/29/58/61/1073295861.db2.gz ZECQRKNRKJVGHU-UHFFFAOYSA-N 1 0 396.517 -0.286 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417056497 1073296131 /nfs/dbraw/zinc/29/61/31/1073296131.db2.gz ZSDSKYDOTQFPKS-AWEZNQCLSA-N 1 0 384.506 -0.430 20 0 GBADRO CC[C@@H]([NH3+])CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000417056498 1073296307 /nfs/dbraw/zinc/29/63/07/1073296307.db2.gz ZSDSKYDOTQFPKS-CQSZACIVSA-N 1 0 384.506 -0.430 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC[N@H+](C)C1 ZINC000417071079 1073296180 /nfs/dbraw/zinc/29/61/80/1073296180.db2.gz GODJEDAWYYWDAW-GFCCVEGCSA-N 1 0 399.473 -0.100 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC[N@H+](C)C1 ZINC000417071082 1073295893 /nfs/dbraw/zinc/29/58/93/1073295893.db2.gz GODJEDAWYYWDAW-LBPRGKRZSA-N 1 0 399.473 -0.100 20 0 GBADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000417088688 530272489 /nfs/dbraw/zinc/27/24/89/530272489.db2.gz LMHCMESVRCVHJT-AWEZNQCLSA-N 1 0 375.539 -0.409 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417098279 1073296987 /nfs/dbraw/zinc/29/69/87/1073296987.db2.gz YEDJSFVYSSDYFH-AWEZNQCLSA-N 1 0 391.538 -0.313 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417098280 1073296730 /nfs/dbraw/zinc/29/67/30/1073296730.db2.gz YEDJSFVYSSDYFH-CQSZACIVSA-N 1 0 391.538 -0.313 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000417130720 1073298209 /nfs/dbraw/zinc/29/82/09/1073298209.db2.gz BWOCJDQKKQOHSZ-HNNXBMFYSA-N 1 0 391.472 -0.079 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000417130721 1073298569 /nfs/dbraw/zinc/29/85/69/1073298569.db2.gz BWOCJDQKKQOHSZ-OAHLLOKOSA-N 1 0 391.472 -0.079 20 0 GBADRO COC[C@]1(CNC(=O)NCCN2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000417151955 1073298188 /nfs/dbraw/zinc/29/81/88/1073298188.db2.gz HSKZRAFOKUBHLW-GOSISDBHSA-N 1 0 377.493 -0.334 20 0 GBADRO COC[C@@]1(CNC(=O)NCCN2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000417151963 1073298531 /nfs/dbraw/zinc/29/85/31/1073298531.db2.gz HSKZRAFOKUBHLW-SFHVURJKSA-N 1 0 377.493 -0.334 20 0 GBADRO CCN(CCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000417204214 1073117239 /nfs/dbraw/zinc/11/72/39/1073117239.db2.gz ZVELXRUDZMADNR-AWEZNQCLSA-N 1 0 391.538 -0.313 20 0 GBADRO CCN(CCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000417204215 1073301259 /nfs/dbraw/zinc/30/12/59/1073301259.db2.gz ZVELXRUDZMADNR-CQSZACIVSA-N 1 0 391.538 -0.313 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000417216764 1073300976 /nfs/dbraw/zinc/30/09/76/1073300976.db2.gz CBKBVRRCKIJTHG-CYBMUJFWSA-N 1 0 387.440 -0.221 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC000417216767 1073301078 /nfs/dbraw/zinc/30/10/78/1073301078.db2.gz CBKBVRRCKIJTHG-ZDUSSCGKSA-N 1 0 387.440 -0.221 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417272116 1073302614 /nfs/dbraw/zinc/30/26/14/1073302614.db2.gz SQXCWCXISWZHIZ-KBPBESRZSA-N 1 0 389.522 -0.561 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000417272120 1073302591 /nfs/dbraw/zinc/30/25/91/1073302591.db2.gz SQXCWCXISWZHIZ-KGLIPLIRSA-N 1 0 389.522 -0.561 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417272121 1073302542 /nfs/dbraw/zinc/30/25/42/1073302542.db2.gz SQXCWCXISWZHIZ-UONOGXRCSA-N 1 0 389.522 -0.561 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000417272122 1073302455 /nfs/dbraw/zinc/30/24/55/1073302455.db2.gz SQXCWCXISWZHIZ-ZIAGYGMSSA-N 1 0 389.522 -0.561 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417355394 1073304633 /nfs/dbraw/zinc/30/46/33/1073304633.db2.gz DIGWKKBKOHADGD-AWEZNQCLSA-N 1 0 389.522 -0.832 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417355406 1073304778 /nfs/dbraw/zinc/30/47/78/1073304778.db2.gz DIGWKKBKOHADGD-CQSZACIVSA-N 1 0 389.522 -0.832 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417359274 530272672 /nfs/dbraw/zinc/27/26/72/530272672.db2.gz IJPMRJWPFOLSFW-CYBMUJFWSA-N 1 0 377.511 -0.657 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417359277 530272770 /nfs/dbraw/zinc/27/27/70/530272770.db2.gz IJPMRJWPFOLSFW-ZDUSSCGKSA-N 1 0 377.511 -0.657 20 0 GBADRO O=C(CCNC(=O)NCCN1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000417363108 1073305892 /nfs/dbraw/zinc/30/58/92/1073305892.db2.gz FJLFGPCLWTUQGK-UHFFFAOYSA-N 1 0 388.516 -0.070 20 0 GBADRO COCC[NH2+]CCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000417369751 1073305918 /nfs/dbraw/zinc/30/59/18/1073305918.db2.gz ROMRLUUWDBXEKM-UHFFFAOYSA-N 1 0 378.477 -0.345 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417369911 530273375 /nfs/dbraw/zinc/27/33/75/530273375.db2.gz SYLYFTBQJXHVJS-LLVKDONJSA-N 1 0 389.444 -0.551 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417369927 530273404 /nfs/dbraw/zinc/27/34/04/530273404.db2.gz SYLYFTBQJXHVJS-NSHDSACASA-N 1 0 389.444 -0.551 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000417372482 1073305716 /nfs/dbraw/zinc/30/57/16/1073305716.db2.gz YUIHXQQYGHHLJX-HNNXBMFYSA-N 1 0 393.463 -0.019 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000417372483 1073305624 /nfs/dbraw/zinc/30/56/24/1073305624.db2.gz YUIHXQQYGHHLJX-OAHLLOKOSA-N 1 0 393.463 -0.019 20 0 GBADRO CCCC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000417386834 1073306261 /nfs/dbraw/zinc/30/62/61/1073306261.db2.gz FZWPJJLSQZZBKX-UHFFFAOYSA-N 1 0 387.550 -0.120 20 0 GBADRO [NH3+]CCN(CCO)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000417403440 1073307413 /nfs/dbraw/zinc/30/74/13/1073307413.db2.gz GNOOADYULGJSPF-UHFFFAOYSA-N 1 0 383.880 -0.049 20 0 GBADRO O=C(CCNC(=O)NCC[C@H]1CCC[NH2+]1)N1CCN(c2ncccn2)CC1 ZINC000417495193 1073309112 /nfs/dbraw/zinc/30/91/12/1073309112.db2.gz ZLVNKEYBWNUXDH-OAHLLOKOSA-N 1 0 375.477 -0.043 20 0 GBADRO COCC1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC[NH2+]CC1 ZINC000417524398 530281599 /nfs/dbraw/zinc/28/15/99/530281599.db2.gz ALHZUUHOIKPPNH-UHFFFAOYSA-N 1 0 394.563 -0.320 20 0 GBADRO COC[C@@]1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCC[NH2+]1 ZINC000417538418 530281584 /nfs/dbraw/zinc/28/15/84/530281584.db2.gz NNPWEGRYVFLORT-AWEZNQCLSA-N 1 0 380.536 -0.567 20 0 GBADRO COC[C@]1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCC[NH2+]1 ZINC000417538719 530281416 /nfs/dbraw/zinc/28/14/16/530281416.db2.gz NNPWEGRYVFLORT-CQSZACIVSA-N 1 0 380.536 -0.567 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000417559496 1073311922 /nfs/dbraw/zinc/31/19/22/1073311922.db2.gz ILFUVYPLITUQSK-AWEZNQCLSA-N 1 0 389.522 -0.798 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000417559497 1073179936 /nfs/dbraw/zinc/17/99/36/1073179936.db2.gz ILFUVYPLITUQSK-CQSZACIVSA-N 1 0 389.522 -0.798 20 0 GBADRO COC[C@]1(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCC[NH2+]1 ZINC000417602275 1073312567 /nfs/dbraw/zinc/31/25/67/1073312567.db2.gz NSTLVCAVMQFDFF-GDBMZVCRSA-N 1 0 392.522 -0.457 20 0 GBADRO COC[C@]1(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000417602276 1073312343 /nfs/dbraw/zinc/31/23/43/1073312343.db2.gz NSTLVCAVMQFDFF-GOEBONIOSA-N 1 0 392.522 -0.457 20 0 GBADRO COC[C@@]1(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000417602277 1073312650 /nfs/dbraw/zinc/31/26/50/1073312650.db2.gz NSTLVCAVMQFDFF-HOCLYGCPSA-N 1 0 392.522 -0.457 20 0 GBADRO COC[C@@]1(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCC[NH2+]1 ZINC000417602278 1073312612 /nfs/dbraw/zinc/31/26/12/1073312612.db2.gz NSTLVCAVMQFDFF-ZBFHGGJFSA-N 1 0 392.522 -0.457 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417605073 530281917 /nfs/dbraw/zinc/28/19/17/530281917.db2.gz XBAMRRZYPREVBI-NEPJUHHUSA-N 1 0 384.449 -0.229 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417605074 530282026 /nfs/dbraw/zinc/28/20/26/530282026.db2.gz XBAMRRZYPREVBI-NWDGAFQWSA-N 1 0 384.449 -0.229 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417605075 530281894 /nfs/dbraw/zinc/28/18/94/530281894.db2.gz XBAMRRZYPREVBI-RYUDHWBXSA-N 1 0 384.449 -0.229 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417605076 530281902 /nfs/dbraw/zinc/28/19/02/530281902.db2.gz XBAMRRZYPREVBI-VXGBXAGGSA-N 1 0 384.449 -0.229 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000417626799 1073313297 /nfs/dbraw/zinc/31/32/97/1073313297.db2.gz NQKASYZUMFZWJS-UHFFFAOYSA-N 1 0 394.564 -0.085 20 0 GBADRO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH2+]CC1 ZINC000417629303 1073185965 /nfs/dbraw/zinc/18/59/65/1073185965.db2.gz VJKHUEZUQIWFIY-HNNXBMFYSA-N 1 0 375.477 -0.103 20 0 GBADRO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH2+]CC1 ZINC000417629312 1073313355 /nfs/dbraw/zinc/31/33/55/1073313355.db2.gz VJKHUEZUQIWFIY-OAHLLOKOSA-N 1 0 375.477 -0.103 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667497 1073314181 /nfs/dbraw/zinc/31/41/81/1073314181.db2.gz IMCQRZBMBLANKE-CVEARBPZSA-N 1 0 378.473 -0.059 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667498 1073314419 /nfs/dbraw/zinc/31/44/19/1073314419.db2.gz IMCQRZBMBLANKE-HOTGVXAUSA-N 1 0 378.473 -0.059 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667499 1073314002 /nfs/dbraw/zinc/31/40/02/1073314002.db2.gz IMCQRZBMBLANKE-HZPDHXFCSA-N 1 0 378.473 -0.059 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667500 1073314144 /nfs/dbraw/zinc/31/41/44/1073314144.db2.gz IMCQRZBMBLANKE-JKSUJKDBSA-N 1 0 378.473 -0.059 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)C(C)(C)C ZINC000417676951 1073314161 /nfs/dbraw/zinc/31/41/61/1073314161.db2.gz 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O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NCC1(N2CCOCC2)CC1 ZINC000418110943 1073322955 /nfs/dbraw/zinc/32/29/55/1073322955.db2.gz GCQUAQQVRISCKI-CYBMUJFWSA-N 1 0 379.427 -0.014 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NCC1(N2CCOCC2)CC1 ZINC000418110955 1073322599 /nfs/dbraw/zinc/32/25/99/1073322599.db2.gz GCQUAQQVRISCKI-ZDUSSCGKSA-N 1 0 379.427 -0.014 20 0 GBADRO COCC[NH2+]CCNC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418129638 530311897 /nfs/dbraw/zinc/31/18/97/530311897.db2.gz DXFBQFCAVWRSLC-UHFFFAOYSA-N 1 0 376.454 -0.019 20 0 GBADRO CN(CCNC(=O)NCCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418132239 1073323616 /nfs/dbraw/zinc/32/36/16/1073323616.db2.gz JCHYKZPLEKUNKW-UHFFFAOYSA-N 1 0 387.481 -0.349 20 0 GBADRO [NH3+]CCN(CCO)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418146368 530311818 /nfs/dbraw/zinc/31/18/18/530311818.db2.gz KMSJWWHAXRUBDH-UHFFFAOYSA-N 1 0 378.882 -0.029 20 0 GBADRO [NH3+]CCN(CCO)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418149096 530312289 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383.518 -0.052 20 0 GBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418174061 1073324768 /nfs/dbraw/zinc/32/47/68/1073324768.db2.gz CZZQQLJJFIEORT-KBPBESRZSA-N 1 0 389.522 -0.703 20 0 GBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418174063 1073325707 /nfs/dbraw/zinc/32/57/07/1073325707.db2.gz CZZQQLJJFIEORT-KGLIPLIRSA-N 1 0 389.522 -0.703 20 0 GBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418174065 1073325827 /nfs/dbraw/zinc/32/58/27/1073325827.db2.gz CZZQQLJJFIEORT-UONOGXRCSA-N 1 0 389.522 -0.703 20 0 GBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418174067 1073325942 /nfs/dbraw/zinc/32/59/42/1073325942.db2.gz CZZQQLJJFIEORT-ZIAGYGMSSA-N 1 0 389.522 -0.703 20 0 GBADRO COCC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418178381 530312378 /nfs/dbraw/zinc/31/23/78/530312378.db2.gz WMYLTUINQWIFJA-UHFFFAOYSA-N 1 0 380.417 -0.222 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418178527 1073325420 /nfs/dbraw/zinc/32/54/20/1073325420.db2.gz WWVRTZUDHLMCQN-GFCCVEGCSA-N 1 0 391.444 -0.554 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418178533 1073325681 /nfs/dbraw/zinc/32/56/81/1073325681.db2.gz WWVRTZUDHLMCQN-LBPRGKRZSA-N 1 0 391.444 -0.554 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000418179729 530312322 /nfs/dbraw/zinc/31/23/22/530312322.db2.gz XMQSIDDTTUVCIK-LLVKDONJSA-N 1 0 378.401 -0.388 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000418179736 530312344 /nfs/dbraw/zinc/31/23/44/530312344.db2.gz XMQSIDDTTUVCIK-NSHDSACASA-N 1 0 378.401 -0.388 20 0 GBADRO COCC[NH2+]CCNC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000418182366 1073325859 /nfs/dbraw/zinc/32/58/59/1073325859.db2.gz MNQSMBZPBFCUPE-UHFFFAOYSA-N 1 0 386.474 -0.397 20 0 GBADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N(CC[NH3+])CCO ZINC000418184503 530312512 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GUPBRSUDRYLUBY-HNNXBMFYSA-N 1 0 390.554 -0.758 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418188970 1073326771 /nfs/dbraw/zinc/32/67/71/1073326771.db2.gz GUPBRSUDRYLUBY-OAHLLOKOSA-N 1 0 390.554 -0.758 20 0 GBADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418196641 530313020 /nfs/dbraw/zinc/31/30/20/530313020.db2.gz DNKFTBAGTIKDPV-AWEZNQCLSA-N 1 0 375.539 -0.264 20 0 GBADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418200321 530313007 /nfs/dbraw/zinc/31/30/07/530313007.db2.gz PUIGEVZJRAUDEQ-AWEZNQCLSA-N 1 0 375.539 -0.264 20 0 GBADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418200323 530312706 /nfs/dbraw/zinc/31/27/06/530312706.db2.gz PUIGEVZJRAUDEQ-CQSZACIVSA-N 1 0 375.539 -0.264 20 0 GBADRO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418210241 530312979 /nfs/dbraw/zinc/31/29/79/530312979.db2.gz SLNMNGIVIFAANN-GFCCVEGCSA-N 1 0 376.504 -0.136 20 0 GBADRO O=C(NCCCCC[NH+]1CCCC1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418211608 1073326747 /nfs/dbraw/zinc/32/67/47/1073326747.db2.gz FGCNOJKCDMELKP-UHFFFAOYSA-N 1 0 387.550 -0.119 20 0 GBADRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418216855 530312832 /nfs/dbraw/zinc/31/28/32/530312832.db2.gz ZZHNOBGAQCZGNG-JHJVBQTASA-N 1 0 388.515 -0.219 20 0 GBADRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418216861 530312930 /nfs/dbraw/zinc/31/29/30/530312930.db2.gz ZZHNOBGAQCZGNG-UPJWGTAASA-N 1 0 388.515 -0.219 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418216863 530312775 /nfs/dbraw/zinc/31/27/75/530312775.db2.gz ZZHNOBGAQCZGNG-XQQFMLRXSA-N 1 0 388.515 -0.219 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418216866 530312748 /nfs/dbraw/zinc/31/27/48/530312748.db2.gz ZZHNOBGAQCZGNG-YNEHKIRRSA-N 1 0 388.515 -0.219 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CN(C2CC2)CCO1 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-0.723 20 0 GBADRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418318962 530327361 /nfs/dbraw/zinc/32/73/61/530327361.db2.gz AWSMSWVOSNAXQZ-ZIAGYGMSSA-N 1 0 377.511 -0.723 20 0 GBADRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000418320871 1073842310 /nfs/dbraw/zinc/84/23/10/1073842310.db2.gz WRPHTWZGZTZYCK-UHFFFAOYSA-N 1 0 386.474 -0.061 20 0 GBADRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000418321004 1073333640 /nfs/dbraw/zinc/33/36/40/1073333640.db2.gz XLOWTPRGSJBMIW-UHFFFAOYSA-N 1 0 384.458 -0.307 20 0 GBADRO C[NH2+]CCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000418324126 1073334527 /nfs/dbraw/zinc/33/45/27/1073334527.db2.gz HCCDCFLMKHZLJV-HNNXBMFYSA-N 1 0 377.493 -0.229 20 0 GBADRO C[NH2+]CCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000418324127 1073334572 /nfs/dbraw/zinc/33/45/72/1073334572.db2.gz HCCDCFLMKHZLJV-OAHLLOKOSA-N 1 0 377.493 -0.229 20 0 GBADRO O=C(NCCC[NH2+]Cc1cccnc1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000418326686 1073844488 /nfs/dbraw/zinc/84/44/88/1073844488.db2.gz KWLSKHTWMQDYDZ-UHFFFAOYSA-N 1 0 396.517 -0.810 20 0 GBADRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418329584 1073334920 /nfs/dbraw/zinc/33/49/20/1073334920.db2.gz UPZLNCBDCBXOOX-UHFFFAOYSA-N 1 0 395.485 -0.193 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418331909 1073334704 /nfs/dbraw/zinc/33/47/04/1073334704.db2.gz SEFLABWAJIDDJI-UHFFFAOYSA-N 1 0 390.488 -0.060 20 0 GBADRO Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCCC[NH3+])CC3)C2=O)n(C)n1 ZINC000418350169 1073862906 /nfs/dbraw/zinc/86/29/06/1073862906.db2.gz KXIQBCXTDWTLHG-HNNXBMFYSA-N 1 0 377.493 -0.100 20 0 GBADRO Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCCC[NH3+])CC3)C2=O)n(C)n1 ZINC000418350170 1073863056 /nfs/dbraw/zinc/86/30/56/1073863056.db2.gz KXIQBCXTDWTLHG-OAHLLOKOSA-N 1 0 377.493 -0.100 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000418367003 1073337724 /nfs/dbraw/zinc/33/77/24/1073337724.db2.gz KYDZOSWOLFWSBP-HNNXBMFYSA-N 1 0 375.477 -0.103 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000418367004 1073337788 /nfs/dbraw/zinc/33/77/88/1073337788.db2.gz KYDZOSWOLFWSBP-OAHLLOKOSA-N 1 0 375.477 -0.103 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000418392147 1073339934 /nfs/dbraw/zinc/33/99/34/1073339934.db2.gz ZGUQBTZQSHUXAY-HNNXBMFYSA-N 1 0 375.477 -0.103 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000418392150 1073340050 /nfs/dbraw/zinc/34/00/50/1073340050.db2.gz ZGUQBTZQSHUXAY-OAHLLOKOSA-N 1 0 375.477 -0.103 20 0 GBADRO [NH3+]C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C1CC1 ZINC000418395188 1073339657 /nfs/dbraw/zinc/33/96/57/1073339657.db2.gz HGHBKEHALIQIOV-HNNXBMFYSA-N 1 0 375.477 -0.118 20 0 GBADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)C1CC1 ZINC000418395189 1073339898 /nfs/dbraw/zinc/33/98/98/1073339898.db2.gz HGHBKEHALIQIOV-OAHLLOKOSA-N 1 0 375.477 -0.118 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418400990 1073339624 /nfs/dbraw/zinc/33/96/24/1073339624.db2.gz YFCRLKDKOVJQQA-KFWWJZLASA-N 1 0 391.538 -0.477 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418400991 1073340559 /nfs/dbraw/zinc/34/05/59/1073340559.db2.gz YFCRLKDKOVJQQA-KKUMJFAQSA-N 1 0 391.538 -0.477 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418401093 1073340409 /nfs/dbraw/zinc/34/04/09/1073340409.db2.gz YFCRLKDKOVJQQA-RRFJBIMHSA-N 1 0 391.538 -0.477 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418401104 1073340602 /nfs/dbraw/zinc/34/06/02/1073340602.db2.gz YFCRLKDKOVJQQA-SOUVJXGZSA-N 1 0 391.538 -0.477 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000418411469 530346200 /nfs/dbraw/zinc/34/62/00/530346200.db2.gz FTJNJCYAJJKMKD-BETUJISGSA-N 1 0 377.511 -0.595 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000418411470 530345827 /nfs/dbraw/zinc/34/58/27/530345827.db2.gz FTJNJCYAJJKMKD-CHWSQXEVSA-N 1 0 377.511 -0.595 20 0 GBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000418411471 530346092 /nfs/dbraw/zinc/34/60/92/530346092.db2.gz FTJNJCYAJJKMKD-STQMWFEESA-N 1 0 377.511 -0.595 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418413054 1073341265 /nfs/dbraw/zinc/34/12/65/1073341265.db2.gz RNMODSATEYFQCM-KFWWJZLASA-N 1 0 391.538 -0.349 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418413059 1073341065 /nfs/dbraw/zinc/34/10/65/1073341065.db2.gz RNMODSATEYFQCM-QLFBSQMISA-N 1 0 391.538 -0.349 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418413060 1073341079 /nfs/dbraw/zinc/34/10/79/1073341079.db2.gz RNMODSATEYFQCM-RBSFLKMASA-N 1 0 391.538 -0.349 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418413061 1073341296 /nfs/dbraw/zinc/34/12/96/1073341296.db2.gz RNMODSATEYFQCM-ZNMIVQPWSA-N 1 0 391.538 -0.349 20 0 GBADRO CC(C)([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418416954 1073341536 /nfs/dbraw/zinc/34/15/36/1073341536.db2.gz SFGMLQHEIDIVEP-UHFFFAOYSA-N 1 0 395.485 -0.066 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418422397 1073342744 /nfs/dbraw/zinc/34/27/44/1073342744.db2.gz AYJNXOJQENKDTD-HNNXBMFYSA-N 1 0 390.554 -0.821 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418422398 1073342766 /nfs/dbraw/zinc/34/27/66/1073342766.db2.gz AYJNXOJQENKDTD-OAHLLOKOSA-N 1 0 390.554 -0.821 20 0 GBADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000418425272 1073342902 /nfs/dbraw/zinc/34/29/02/1073342902.db2.gz HUBKKPKBKHOJMT-INIZCTEOSA-N 1 0 389.456 -0.601 20 0 GBADRO [NH3+][C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000418425273 1073342722 /nfs/dbraw/zinc/34/27/22/1073342722.db2.gz HUBKKPKBKHOJMT-MRXNPFEDSA-N 1 0 389.456 -0.601 20 0 GBADRO [NH3+][C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000418426773 1073343098 /nfs/dbraw/zinc/34/30/98/1073343098.db2.gz KHCQCFQITARTGI-KRWDZBQOSA-N 1 0 375.473 -0.128 20 0 GBADRO [NH3+][C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000418426774 1073342730 /nfs/dbraw/zinc/34/27/30/1073342730.db2.gz KHCQCFQITARTGI-QGZVFWFLSA-N 1 0 375.473 -0.128 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000418427148 530345841 /nfs/dbraw/zinc/34/58/41/530345841.db2.gz APFYMTIWYGMURG-UHFFFAOYSA-N 1 0 377.511 -0.592 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418427161 1073342865 /nfs/dbraw/zinc/34/28/65/1073342865.db2.gz ASEDNSLXPZNGCS-UHFFFAOYSA-N 1 0 390.554 -0.677 20 0 GBADRO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 ZINC000418438291 1073343368 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IDHMCRHXDHCFMR-MELADBBJSA-N 1 0 377.511 -0.738 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418467255 530346195 /nfs/dbraw/zinc/34/61/95/530346195.db2.gz IDHMCRHXDHCFMR-MGPQQGTHSA-N 1 0 377.511 -0.738 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418467257 530345997 /nfs/dbraw/zinc/34/59/97/530345997.db2.gz IDHMCRHXDHCFMR-RDBSUJKOSA-N 1 0 377.511 -0.738 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000418467695 530346160 /nfs/dbraw/zinc/34/61/60/530346160.db2.gz OWQCCMKMPBWJPZ-AWEZNQCLSA-N 1 0 377.511 -0.592 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000418467696 530346118 /nfs/dbraw/zinc/34/61/18/530346118.db2.gz OWQCCMKMPBWJPZ-CQSZACIVSA-N 1 0 377.511 -0.592 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418473627 1073346208 /nfs/dbraw/zinc/34/62/08/1073346208.db2.gz UFVNLMDNMDODLD-HNNXBMFYSA-N 1 0 390.554 -0.677 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418473628 1073346148 /nfs/dbraw/zinc/34/61/48/1073346148.db2.gz UFVNLMDNMDODLD-OAHLLOKOSA-N 1 0 390.554 -0.677 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418473859 1073345632 /nfs/dbraw/zinc/34/56/32/1073345632.db2.gz OYAQGRNJGVRFHL-GFCCVEGCSA-N 1 0 395.485 -0.208 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418473860 1073345518 /nfs/dbraw/zinc/34/55/18/1073345518.db2.gz OYAQGRNJGVRFHL-LBPRGKRZSA-N 1 0 395.485 -0.208 20 0 GBADRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418481215 1073345966 /nfs/dbraw/zinc/34/59/66/1073345966.db2.gz SVLBBXZBTWANJJ-GASCZTMLSA-N 1 0 391.538 -0.333 20 0 GBADRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418481216 1073346048 /nfs/dbraw/zinc/34/60/48/1073346048.db2.gz SVLBBXZBTWANJJ-GJZGRUSLSA-N 1 0 391.538 -0.333 20 0 GBADRO 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ZINC000418620606 1072160023 /nfs/dbraw/zinc/16/00/23/1072160023.db2.gz RCHBQPJBZHHMFF-AWEZNQCLSA-N 1 0 397.442 -0.841 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(CCO)CCN1CCOCC1 ZINC000418620607 1072159894 /nfs/dbraw/zinc/15/98/94/1072159894.db2.gz RCHBQPJBZHHMFF-CQSZACIVSA-N 1 0 397.442 -0.841 20 0 GBADRO COCCN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000418621190 1073701774 /nfs/dbraw/zinc/70/17/74/1073701774.db2.gz SMDXZHYKAMFUDP-GFCCVEGCSA-N 1 0 381.399 -0.677 20 0 GBADRO COCCN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000418621196 1073702490 /nfs/dbraw/zinc/70/24/90/1073702490.db2.gz SMDXZHYKAMFUDP-LBPRGKRZSA-N 1 0 381.399 -0.677 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418621507 1073703291 /nfs/dbraw/zinc/70/32/91/1073703291.db2.gz SZPUHLNWFFNFOR-CYBMUJFWSA-N 1 0 394.442 -0.714 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418621508 1073702841 /nfs/dbraw/zinc/70/28/41/1073702841.db2.gz SZPUHLNWFFNFOR-ZDUSSCGKSA-N 1 0 394.442 -0.714 20 0 GBADRO COCCN1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000418622606 1073702330 /nfs/dbraw/zinc/70/23/30/1073702330.db2.gz VSFOXZREUYITJX-CYBMUJFWSA-N 1 0 395.426 -0.287 20 0 GBADRO COCCN1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000418622607 1073702213 /nfs/dbraw/zinc/70/22/13/1073702213.db2.gz VSFOXZREUYITJX-ZDUSSCGKSA-N 1 0 395.426 -0.287 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000418623089 1073701971 /nfs/dbraw/zinc/70/19/71/1073701971.db2.gz WVMPRLYOLWFXLE-IJLUTSLNSA-N 1 0 382.383 -0.206 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000418623090 1073702162 /nfs/dbraw/zinc/70/21/62/1073702162.db2.gz WVMPRLYOLWFXLE-UTUOFQBUSA-N 1 0 382.383 -0.206 20 0 GBADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000418623502 530346070 /nfs/dbraw/zinc/34/60/70/530346070.db2.gz WYNYLHQSXFNJML-JTQLQIEISA-N 1 0 390.487 -0.102 20 0 GBADRO COCC1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000418636176 1073702957 /nfs/dbraw/zinc/70/29/57/1073702957.db2.gz GRSBZFRYICFWQV-UHFFFAOYSA-N 1 0 395.504 -0.521 20 0 GBADRO COCC1(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000418636207 1073702824 /nfs/dbraw/zinc/70/28/24/1073702824.db2.gz GZHNKUDGQNBESY-UHFFFAOYSA-N 1 0 381.521 -0.048 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000418640844 1073703993 /nfs/dbraw/zinc/70/39/93/1073703993.db2.gz NCNNDGACNJFWAD-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000418640846 1073704244 /nfs/dbraw/zinc/70/42/44/1073704244.db2.gz NCNNDGACNJFWAD-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418641382 1073704202 /nfs/dbraw/zinc/70/42/02/1073704202.db2.gz SDRKQKMNNIZTAQ-APWZRJJASA-N 1 0 399.536 -0.377 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418641383 1073703880 /nfs/dbraw/zinc/70/38/80/1073703880.db2.gz SDRKQKMNNIZTAQ-LPHOPBHVSA-N 1 0 399.536 -0.377 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418641385 1073703832 /nfs/dbraw/zinc/70/38/32/1073703832.db2.gz SDRKQKMNNIZTAQ-QFBILLFUSA-N 1 0 399.536 -0.377 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418641387 1073703953 /nfs/dbraw/zinc/70/39/53/1073703953.db2.gz SDRKQKMNNIZTAQ-VQIMIIECSA-N 1 0 399.536 -0.377 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418644241 1073704104 /nfs/dbraw/zinc/70/41/04/1073704104.db2.gz PXGOLCUBNQBNSS-HNNXBMFYSA-N 1 0 395.504 -0.523 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418644245 1073703871 /nfs/dbraw/zinc/70/38/71/1073703871.db2.gz PXGOLCUBNQBNSS-OAHLLOKOSA-N 1 0 395.504 -0.523 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418645809 1073704281 /nfs/dbraw/zinc/70/42/81/1073704281.db2.gz WMBJJAOWZISPMZ-GOSISDBHSA-N 1 0 389.500 -0.037 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418645810 1073703946 /nfs/dbraw/zinc/70/39/46/1073703946.db2.gz WMBJJAOWZISPMZ-SFHVURJKSA-N 1 0 389.500 -0.037 20 0 GBADRO COC[C@]1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000418648919 1073703923 /nfs/dbraw/zinc/70/39/23/1073703923.db2.gz DLERQXHGATYAFF-GOSISDBHSA-N 1 0 381.477 -0.769 20 0 GBADRO COC[C@@]1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000418648920 1073703908 /nfs/dbraw/zinc/70/39/08/1073703908.db2.gz DLERQXHGATYAFF-SFHVURJKSA-N 1 0 381.477 -0.769 20 0 GBADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000418649074 1073704047 /nfs/dbraw/zinc/70/40/47/1073704047.db2.gz IUVCVDXLPIHPFU-INIZCTEOSA-N 1 0 386.460 -0.211 20 0 GBADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000418649088 1073704004 /nfs/dbraw/zinc/70/40/04/1073704004.db2.gz IUVCVDXLPIHPFU-MRXNPFEDSA-N 1 0 386.460 -0.211 20 0 GBADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000418656288 1073704117 /nfs/dbraw/zinc/70/41/17/1073704117.db2.gz FEMXQXZEZCOMPP-JKSUJKDBSA-N 1 0 377.489 -0.149 20 0 GBADRO COC[C@]1(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000418657146 1073703816 /nfs/dbraw/zinc/70/38/16/1073703816.db2.gz QTHOLGYBOVQCBO-GOSISDBHSA-N 1 0 388.476 -0.037 20 0 GBADRO COC[C@@]1(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCC[NH2+]1 ZINC000418657147 1073704176 /nfs/dbraw/zinc/70/41/76/1073704176.db2.gz QTHOLGYBOVQCBO-SFHVURJKSA-N 1 0 388.476 -0.037 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418661229 1073705183 /nfs/dbraw/zinc/70/51/83/1073705183.db2.gz YXDWGFVXIZJESP-INIZCTEOSA-N 1 0 392.522 -0.552 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418661241 1073705054 /nfs/dbraw/zinc/70/50/54/1073705054.db2.gz YXDWGFVXIZJESP-MRXNPFEDSA-N 1 0 392.522 -0.552 20 0 GBADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418661451 1073704778 /nfs/dbraw/zinc/70/47/78/1073704778.db2.gz PXTFGNGUHDUWGJ-JKSUJKDBSA-N 1 0 393.488 -0.913 20 0 GBADRO O=C(CN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000418661801 1073704929 /nfs/dbraw/zinc/70/49/29/1073704929.db2.gz QTSNFGPISIOPKB-DLBZAZTESA-N 1 0 379.505 -0.440 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000418668938 1073705859 /nfs/dbraw/zinc/70/58/59/1073705859.db2.gz OVBIDGSWEFSTDE-QAQDUYKDSA-N 1 0 381.521 -0.063 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418670580 1073705596 /nfs/dbraw/zinc/70/55/96/1073705596.db2.gz JSPXNIBVYVYXLA-FXQLRMTLSA-N 1 0 397.520 -0.042 20 0 GBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418670596 1073706021 /nfs/dbraw/zinc/70/60/21/1073706021.db2.gz JSPXNIBVYVYXLA-QRNKSROTSA-N 1 0 397.520 -0.042 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418670599 1073706082 /nfs/dbraw/zinc/70/60/82/1073706082.db2.gz JSPXNIBVYVYXLA-QVOMUQBLSA-N 1 0 397.520 -0.042 20 0 GBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418670602 1073705723 /nfs/dbraw/zinc/70/57/23/1073705723.db2.gz JSPXNIBVYVYXLA-WXLSXGNJSA-N 1 0 397.520 -0.042 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418678499 1073708178 /nfs/dbraw/zinc/70/81/78/1073708178.db2.gz CXLUDOGSGUSFHN-JKSUJKDBSA-N 1 0 381.502 -0.030 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418688064 1073709642 /nfs/dbraw/zinc/70/96/42/1073709642.db2.gz SKSKSFPJMSPCDQ-ZWKOTPCHSA-N 1 0 389.500 -0.168 20 0 GBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418688682 1073708313 /nfs/dbraw/zinc/70/83/13/1073708313.db2.gz UGSREEYPPNVUJT-DLBZAZTESA-N 1 0 385.468 -0.126 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418692488 530346141 /nfs/dbraw/zinc/34/61/41/530346141.db2.gz FXRPDZQCHLMBBC-AAVRWANBSA-N 1 0 377.511 -0.597 20 0 GBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418692490 530345918 /nfs/dbraw/zinc/34/59/18/530345918.db2.gz FXRPDZQCHLMBBC-RFQIPJPRSA-N 1 0 377.511 -0.597 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418692492 530346183 /nfs/dbraw/zinc/34/61/83/530346183.db2.gz FXRPDZQCHLMBBC-XJFOESAGSA-N 1 0 377.511 -0.597 20 0 GBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418692494 530346078 /nfs/dbraw/zinc/34/60/78/530346078.db2.gz FXRPDZQCHLMBBC-YIYPIFLZSA-N 1 0 377.511 -0.597 20 0 GBADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418692975 1073708167 /nfs/dbraw/zinc/70/81/67/1073708167.db2.gz GHDUXTDEKMKHAA-NEPJUHHUSA-N 1 0 395.485 -0.067 20 0 GBADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)[C@H](C)[NH3+] ZINC000418692976 1073708335 /nfs/dbraw/zinc/70/83/35/1073708335.db2.gz GHDUXTDEKMKHAA-NWDGAFQWSA-N 1 0 395.485 -0.067 20 0 GBADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418692977 1073708412 /nfs/dbraw/zinc/70/84/12/1073708412.db2.gz GHDUXTDEKMKHAA-RYUDHWBXSA-N 1 0 395.485 -0.067 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418692978 1073708133 /nfs/dbraw/zinc/70/81/33/1073708133.db2.gz GHDUXTDEKMKHAA-VXGBXAGGSA-N 1 0 395.485 -0.067 20 0 GBADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418704010 1073709682 /nfs/dbraw/zinc/70/96/82/1073709682.db2.gz RFLHUOSCDBLQCH-HNNXBMFYSA-N 1 0 390.554 -0.677 20 0 GBADRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000418704094 1073709196 /nfs/dbraw/zinc/70/91/96/1073709196.db2.gz RFLHUOSCDBLQCH-OAHLLOKOSA-N 1 0 390.554 -0.677 20 0 GBADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418711538 1073710325 /nfs/dbraw/zinc/71/03/25/1073710325.db2.gz UQKHZUCBRZRQMY-ILXRZTDVSA-N 1 0 391.538 -0.205 20 0 GBADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418711546 1073710245 /nfs/dbraw/zinc/71/02/45/1073710245.db2.gz UQKHZUCBRZRQMY-KFWWJZLASA-N 1 0 391.538 -0.205 20 0 GBADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418711554 1073710632 /nfs/dbraw/zinc/71/06/32/1073710632.db2.gz UQKHZUCBRZRQMY-RBSFLKMASA-N 1 0 391.538 -0.205 20 0 GBADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418711563 1073710489 /nfs/dbraw/zinc/71/04/89/1073710489.db2.gz UQKHZUCBRZRQMY-SOUVJXGZSA-N 1 0 391.538 -0.205 20 0 GBADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000418727380 1073711754 /nfs/dbraw/zinc/71/17/54/1073711754.db2.gz DVJNNFONCHTLAG-SFYZZRBRSA-N 1 0 379.505 -0.312 20 0 GBADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418731216 1073711212 /nfs/dbraw/zinc/71/12/12/1073711212.db2.gz PMQJLAREDGGPSA-CYBMUJFWSA-N 1 0 395.485 -0.066 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000418731217 1073711800 /nfs/dbraw/zinc/71/18/00/1073711800.db2.gz PMQJLAREDGGPSA-ZDUSSCGKSA-N 1 0 395.485 -0.066 20 0 GBADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418732106 530346613 /nfs/dbraw/zinc/34/66/13/530346613.db2.gz QFGCZXNBDKAZTA-HZSPNIEDSA-N 1 0 377.511 -0.595 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418732107 530346598 /nfs/dbraw/zinc/34/65/98/530346598.db2.gz QFGCZXNBDKAZTA-IHRRRGAJSA-N 1 0 377.511 -0.595 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418732109 530346255 /nfs/dbraw/zinc/34/62/55/530346255.db2.gz QFGCZXNBDKAZTA-MCIONIFRSA-N 1 0 377.511 -0.595 20 0 GBADRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418732111 530346546 /nfs/dbraw/zinc/34/65/46/530346546.db2.gz QFGCZXNBDKAZTA-MJBXVCDLSA-N 1 0 377.511 -0.595 20 0 GBADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000418737667 1073712510 /nfs/dbraw/zinc/71/25/10/1073712510.db2.gz YKBWLLPUAJKBGZ-CABCVRRESA-N 1 0 381.477 -0.784 20 0 GBADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000418737668 1073712442 /nfs/dbraw/zinc/71/24/42/1073712442.db2.gz YKBWLLPUAJKBGZ-GJZGRUSLSA-N 1 0 381.477 -0.784 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000418737669 1073712862 /nfs/dbraw/zinc/71/28/62/1073712862.db2.gz YKBWLLPUAJKBGZ-HUUCEWRRSA-N 1 0 381.477 -0.784 20 0 GBADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000418737670 1073712192 /nfs/dbraw/zinc/71/21/92/1073712192.db2.gz YKBWLLPUAJKBGZ-LSDHHAIUSA-N 1 0 381.477 -0.784 20 0 GBADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418743210 1073712380 /nfs/dbraw/zinc/71/23/80/1073712380.db2.gz SDUZGMJPOBWUOA-PJPHBNEVSA-N 1 0 393.488 -0.785 20 0 GBADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000418744464 1073713737 /nfs/dbraw/zinc/71/37/37/1073713737.db2.gz UKAIGPMFELJSPD-PJPHBNEVSA-N 1 0 377.489 -0.022 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418750782 530346430 /nfs/dbraw/zinc/34/64/30/530346430.db2.gz DSOFTQYMDORBRJ-GFCCVEGCSA-N 1 0 384.449 -0.323 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418750783 530346590 /nfs/dbraw/zinc/34/65/90/530346590.db2.gz DSOFTQYMDORBRJ-LBPRGKRZSA-N 1 0 384.449 -0.323 20 0 GBADRO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000418751331 1073713267 /nfs/dbraw/zinc/71/32/67/1073713267.db2.gz AGIJTSHGUYHFLI-KKUMJFAQSA-N 1 0 394.499 -0.338 20 0 GBADRO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2C[NH2+]CCN2C)n1 ZINC000418751332 1073713634 /nfs/dbraw/zinc/71/36/34/1073713634.db2.gz AGIJTSHGUYHFLI-SOUVJXGZSA-N 1 0 394.499 -0.338 20 0 GBADRO O=C(CN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1)N1CCOCC1 ZINC000418752021 1073713176 /nfs/dbraw/zinc/71/31/76/1073713176.db2.gz GHUHAKJTQGJDEP-CYBMUJFWSA-N 1 0 375.420 -0.830 20 0 GBADRO O=C(CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1)N1CCOCC1 ZINC000418752023 1073713394 /nfs/dbraw/zinc/71/33/94/1073713394.db2.gz GHUHAKJTQGJDEP-ZDUSSCGKSA-N 1 0 375.420 -0.830 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000418752196 1073712782 /nfs/dbraw/zinc/71/27/82/1073712782.db2.gz BJKFYQZLFBSCJB-MSOLQXFVSA-N 1 0 391.516 -0.343 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000418752197 1073712479 /nfs/dbraw/zinc/71/24/79/1073712479.db2.gz BJKFYQZLFBSCJB-QZTJIDSGSA-N 1 0 391.516 -0.343 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000418752198 1073712635 /nfs/dbraw/zinc/71/26/35/1073712635.db2.gz BJKFYQZLFBSCJB-ROUUACIJSA-N 1 0 391.516 -0.343 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000418752199 1073713342 /nfs/dbraw/zinc/71/33/42/1073713342.db2.gz BJKFYQZLFBSCJB-ZWKOTPCHSA-N 1 0 391.516 -0.343 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000418752664 1073713752 /nfs/dbraw/zinc/71/37/52/1073713752.db2.gz CCBMJTUAORFTGZ-HNNXBMFYSA-N 1 0 398.515 -0.057 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000418752665 1073713788 /nfs/dbraw/zinc/71/37/88/1073713788.db2.gz CCBMJTUAORFTGZ-OAHLLOKOSA-N 1 0 398.515 -0.057 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418752892 1073713684 /nfs/dbraw/zinc/71/36/84/1073713684.db2.gz UQTRYCPGMQBRAO-KBPBESRZSA-N 1 0 391.463 -0.148 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418752893 1073713521 /nfs/dbraw/zinc/71/35/21/1073713521.db2.gz UQTRYCPGMQBRAO-KGLIPLIRSA-N 1 0 391.463 -0.148 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418752894 1073713601 /nfs/dbraw/zinc/71/36/01/1073713601.db2.gz UQTRYCPGMQBRAO-UONOGXRCSA-N 1 0 391.463 -0.148 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418752895 1073713887 /nfs/dbraw/zinc/71/38/87/1073713887.db2.gz UQTRYCPGMQBRAO-ZIAGYGMSSA-N 1 0 391.463 -0.148 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418753132 1073713806 /nfs/dbraw/zinc/71/38/06/1073713806.db2.gz AESZEPGXYVPMTG-UHFFFAOYSA-N 1 0 394.497 -0.091 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CCC[NH2+]C1 ZINC000418753632 1073713710 /nfs/dbraw/zinc/71/37/10/1073713710.db2.gz AYVXKQWIFPZOIU-GOSISDBHSA-N 1 0 378.477 -0.607 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CCC[NH2+]C1 ZINC000418753639 1073713798 /nfs/dbraw/zinc/71/37/98/1073713798.db2.gz AYVXKQWIFPZOIU-SFHVURJKSA-N 1 0 378.477 -0.607 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000418753807 1073713540 /nfs/dbraw/zinc/71/35/40/1073713540.db2.gz BANOCMBYGIFTOE-BBRMVZONSA-N 1 0 394.497 -0.107 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000418753810 1073934329 /nfs/dbraw/zinc/93/43/29/1073934329.db2.gz BANOCMBYGIFTOE-CJNGLKHVSA-N 1 0 394.497 -0.107 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H]1[NH3+] ZINC000418754006 1073713837 /nfs/dbraw/zinc/71/38/37/1073713837.db2.gz BANOCMBYGIFTOE-CZUORRHYSA-N 1 0 394.497 -0.107 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H]1[NH3+] ZINC000418754007 1073713894 /nfs/dbraw/zinc/71/38/94/1073713894.db2.gz BANOCMBYGIFTOE-XJKSGUPXSA-N 1 0 394.497 -0.107 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418754016 1073713694 /nfs/dbraw/zinc/71/36/94/1073713694.db2.gz BBSXJIXUSCJZEC-AWEZNQCLSA-N 1 0 378.477 -0.512 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418754017 1073713610 /nfs/dbraw/zinc/71/36/10/1073713610.db2.gz BBSXJIXUSCJZEC-CQSZACIVSA-N 1 0 378.477 -0.512 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418754518 530346531 /nfs/dbraw/zinc/34/65/31/530346531.db2.gz BDRGMZOVVMUJBR-KBPBESRZSA-N 1 0 377.511 -0.771 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418754526 530346499 /nfs/dbraw/zinc/34/64/99/530346499.db2.gz BDRGMZOVVMUJBR-KGLIPLIRSA-N 1 0 377.511 -0.771 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418754530 530346604 /nfs/dbraw/zinc/34/66/04/530346604.db2.gz BDRGMZOVVMUJBR-UONOGXRCSA-N 1 0 377.511 -0.771 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000418754533 530346445 /nfs/dbraw/zinc/34/64/45/530346445.db2.gz BDRGMZOVVMUJBR-ZIAGYGMSSA-N 1 0 377.511 -0.771 20 0 GBADRO CCCN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CC[NH2+]C1 ZINC000418754608 1073713328 /nfs/dbraw/zinc/71/33/28/1073713328.db2.gz BRSMONZXYKJHQV-AWEZNQCLSA-N 1 0 378.477 -0.512 20 0 GBADRO CCCN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000418754609 1073713382 /nfs/dbraw/zinc/71/33/82/1073713382.db2.gz BRSMONZXYKJHQV-CQSZACIVSA-N 1 0 378.477 -0.512 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418756200 1073713863 /nfs/dbraw/zinc/71/38/63/1073713863.db2.gz DTUZOCFSDDVKLX-AWEZNQCLSA-N 1 0 392.504 -0.218 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418756205 1073713844 /nfs/dbraw/zinc/71/38/44/1073713844.db2.gz DTUZOCFSDDVKLX-CQSZACIVSA-N 1 0 392.504 -0.218 20 0 GBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418756233 1073714438 /nfs/dbraw/zinc/71/44/38/1073714438.db2.gz DVTPOPJDQNIQFZ-OKILXGFUSA-N 1 0 376.461 -0.760 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C[C@@H]21 ZINC000418757421 1073713251 /nfs/dbraw/zinc/71/32/51/1073713251.db2.gz FVAQPKNYBUXHJD-QLFBSQMISA-N 1 0 390.488 -0.527 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C[C@H]21 ZINC000418757422 1073713655 /nfs/dbraw/zinc/71/36/55/1073713655.db2.gz FVAQPKNYBUXHJD-RBSFLKMASA-N 1 0 390.488 -0.527 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C[C@H]21 ZINC000418757423 1073713584 /nfs/dbraw/zinc/71/35/84/1073713584.db2.gz FVAQPKNYBUXHJD-RRFJBIMHSA-N 1 0 390.488 -0.527 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C[C@@H]21 ZINC000418757424 1073713509 /nfs/dbraw/zinc/71/35/09/1073713509.db2.gz FVAQPKNYBUXHJD-SOUVJXGZSA-N 1 0 390.488 -0.527 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418758682 1073715919 /nfs/dbraw/zinc/71/59/19/1073715919.db2.gz FQSHJYRFBLFDCZ-HNNXBMFYSA-N 1 0 391.538 -0.331 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418758684 1073716064 /nfs/dbraw/zinc/71/60/64/1073716064.db2.gz FQSHJYRFBLFDCZ-OAHLLOKOSA-N 1 0 391.538 -0.331 20 0 GBADRO CN(C(=O)C(=O)NCCOc1cccc(C(F)(F)F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418758924 1073713574 /nfs/dbraw/zinc/71/35/74/1073713574.db2.gz HHYAIQXIPDATIX-STQMWFEESA-N 1 0 375.347 -0.009 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000418758938 1073713188 /nfs/dbraw/zinc/71/31/88/1073713188.db2.gz HKLOIHNKMZIHTM-HNNXBMFYSA-N 1 0 394.497 -0.092 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000418758939 1073713857 /nfs/dbraw/zinc/71/38/57/1073713857.db2.gz HKLOIHNKMZIHTM-OAHLLOKOSA-N 1 0 394.497 -0.092 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000418759143 1073713302 /nfs/dbraw/zinc/71/33/02/1073713302.db2.gz FYOPWAGZXKASTN-HNNXBMFYSA-N 1 0 382.486 -0.001 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000418759144 1073713481 /nfs/dbraw/zinc/71/34/81/1073713481.db2.gz FYOPWAGZXKASTN-OAHLLOKOSA-N 1 0 382.486 -0.001 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)nc1 ZINC000418759854 1073715467 /nfs/dbraw/zinc/71/54/67/1073715467.db2.gz JQOMKKNYKQEBMG-INIZCTEOSA-N 1 0 390.488 -0.007 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)nc1 ZINC000418759860 1073715561 /nfs/dbraw/zinc/71/55/61/1073715561.db2.gz JQOMKKNYKQEBMG-MRXNPFEDSA-N 1 0 390.488 -0.007 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418760095 1073715955 /nfs/dbraw/zinc/71/59/55/1073715955.db2.gz IVLDMCLBFYVGAV-HNNXBMFYSA-N 1 0 394.497 -0.045 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418760105 1073715552 /nfs/dbraw/zinc/71/55/52/1073715552.db2.gz IVLDMCLBFYVGAV-OAHLLOKOSA-N 1 0 394.497 -0.045 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[NH2+]1 ZINC000418760170 1073716148 /nfs/dbraw/zinc/71/61/48/1073716148.db2.gz IYWCPUCTTNUUGB-AWEZNQCLSA-N 1 0 394.497 -0.092 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[NH2+]1 ZINC000418760172 1073715987 /nfs/dbraw/zinc/71/59/87/1073715987.db2.gz IYWCPUCTTNUUGB-CQSZACIVSA-N 1 0 394.497 -0.092 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000418761015 1073715676 /nfs/dbraw/zinc/71/56/76/1073715676.db2.gz KCBUHBKZAUPNGX-AWEZNQCLSA-N 1 0 394.497 -0.092 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000418761016 1073715803 /nfs/dbraw/zinc/71/58/03/1073715803.db2.gz KCBUHBKZAUPNGX-CQSZACIVSA-N 1 0 394.497 -0.092 20 0 GBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418761261 530346585 /nfs/dbraw/zinc/34/65/85/530346585.db2.gz HTLGWXQAHHOOPT-KBPBESRZSA-N 1 0 378.495 -0.943 20 0 GBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418761267 530346610 /nfs/dbraw/zinc/34/66/10/530346610.db2.gz HTLGWXQAHHOOPT-KGLIPLIRSA-N 1 0 378.495 -0.943 20 0 GBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418761268 530346370 /nfs/dbraw/zinc/34/63/70/530346370.db2.gz HTLGWXQAHHOOPT-UONOGXRCSA-N 1 0 378.495 -0.943 20 0 GBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418761271 530346479 /nfs/dbraw/zinc/34/64/79/530346479.db2.gz HTLGWXQAHHOOPT-ZIAGYGMSSA-N 1 0 378.495 -0.943 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418761525 1073715404 /nfs/dbraw/zinc/71/54/04/1073715404.db2.gz KTRVACDSBZDKGO-KBPBESRZSA-N 1 0 378.477 -0.479 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418761526 1073715572 /nfs/dbraw/zinc/71/55/72/1073715572.db2.gz KTRVACDSBZDKGO-KGLIPLIRSA-N 1 0 378.477 -0.479 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418761527 1073716013 /nfs/dbraw/zinc/71/60/13/1073716013.db2.gz KTRVACDSBZDKGO-UONOGXRCSA-N 1 0 378.477 -0.479 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418761528 1073715395 /nfs/dbraw/zinc/71/53/95/1073715395.db2.gz KTRVACDSBZDKGO-ZIAGYGMSSA-N 1 0 378.477 -0.479 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000418761553 1073715900 /nfs/dbraw/zinc/71/59/00/1073715900.db2.gz HWFRJIUZCARWFN-HNNXBMFYSA-N 1 0 398.485 -0.301 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000418761558 1073715356 /nfs/dbraw/zinc/71/53/56/1073715356.db2.gz HWFRJIUZCARWFN-OAHLLOKOSA-N 1 0 398.485 -0.301 20 0 GBADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418761614 1073716052 /nfs/dbraw/zinc/71/60/52/1073716052.db2.gz LJDSINSCHDBXSC-IRXDYDNUSA-N 1 0 377.489 -0.437 20 0 GBADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418761620 1073715868 /nfs/dbraw/zinc/71/58/68/1073715868.db2.gz LJDSINSCHDBXSC-SJORKVTESA-N 1 0 377.489 -0.437 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000418762273 1073715836 /nfs/dbraw/zinc/71/58/36/1073715836.db2.gz LRDJZTATQLDRPV-CYBMUJFWSA-N 1 0 398.485 -0.952 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000418762280 1073716122 /nfs/dbraw/zinc/71/61/22/1073716122.db2.gz LRDJZTATQLDRPV-ZDUSSCGKSA-N 1 0 398.485 -0.952 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418762568 1073715582 /nfs/dbraw/zinc/71/55/82/1073715582.db2.gz MDJOAVDNBXUDIQ-AWEZNQCLSA-N 1 0 380.493 -0.281 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418762572 1073715534 /nfs/dbraw/zinc/71/55/34/1073715534.db2.gz MDJOAVDNBXUDIQ-CQSZACIVSA-N 1 0 380.493 -0.281 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418762626 1073716099 /nfs/dbraw/zinc/71/60/99/1073716099.db2.gz MFGZOBRFVXJEIU-HNNXBMFYSA-N 1 0 394.497 -0.045 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418762629 1073715515 /nfs/dbraw/zinc/71/55/15/1073715515.db2.gz MFGZOBRFVXJEIU-OAHLLOKOSA-N 1 0 394.497 -0.045 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000418763575 1073714976 /nfs/dbraw/zinc/71/49/76/1073714976.db2.gz JXWPPTZJHKGQRY-HNNXBMFYSA-N 1 0 389.522 -0.577 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000418763576 1073714331 /nfs/dbraw/zinc/71/43/31/1073714331.db2.gz JXWPPTZJHKGQRY-OAHLLOKOSA-N 1 0 389.522 -0.577 20 0 GBADRO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)n1 ZINC000418763815 1073715596 /nfs/dbraw/zinc/71/55/96/1073715596.db2.gz NKPHPXAMHITBLX-HNNXBMFYSA-N 1 0 377.493 -0.081 20 0 GBADRO CCOc1cc(C)nc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)n1 ZINC000418763816 1073715590 /nfs/dbraw/zinc/71/55/90/1073715590.db2.gz NKPHPXAMHITBLX-OAHLLOKOSA-N 1 0 377.493 -0.081 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@H]1C[NH3+] ZINC000418763859 1073715796 /nfs/dbraw/zinc/71/57/96/1073715796.db2.gz NUFHBXCVFAXQNU-KBPBESRZSA-N 1 0 378.477 -0.669 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@H]1C[NH3+] ZINC000418763860 1073715381 /nfs/dbraw/zinc/71/53/81/1073715381.db2.gz NUFHBXCVFAXQNU-KGLIPLIRSA-N 1 0 378.477 -0.669 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H]1C[NH3+] ZINC000418763861 1073714933 /nfs/dbraw/zinc/71/49/33/1073714933.db2.gz NUFHBXCVFAXQNU-UONOGXRCSA-N 1 0 378.477 -0.669 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H]1C[NH3+] ZINC000418763862 1073714607 /nfs/dbraw/zinc/71/46/07/1073714607.db2.gz NUFHBXCVFAXQNU-ZIAGYGMSSA-N 1 0 378.477 -0.669 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCCC1 ZINC000418763902 1073715333 /nfs/dbraw/zinc/71/53/33/1073715333.db2.gz OAXPQQGHXSLAPJ-HNNXBMFYSA-N 1 0 392.504 -0.089 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCCC1 ZINC000418763903 1073715484 /nfs/dbraw/zinc/71/54/84/1073715484.db2.gz OAXPQQGHXSLAPJ-OAHLLOKOSA-N 1 0 392.504 -0.089 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccc1 ZINC000418763972 1073715816 /nfs/dbraw/zinc/71/58/16/1073715816.db2.gz OFXWUHUCPSLOEY-HNNXBMFYSA-N 1 0 386.456 -0.296 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)c1ccccc1 ZINC000418763981 1073715716 /nfs/dbraw/zinc/71/57/16/1073715716.db2.gz OFXWUHUCPSLOEY-OAHLLOKOSA-N 1 0 386.456 -0.296 20 0 GBADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[NH2+]CCN1C)C2 ZINC000418764790 1073714680 /nfs/dbraw/zinc/71/46/80/1073714680.db2.gz OHSSHAWZKUOWNM-HNNXBMFYSA-N 1 0 395.529 -0.092 20 0 GBADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[NH2+]CCN1C)C2 ZINC000418764791 1073714856 /nfs/dbraw/zinc/71/48/56/1073714856.db2.gz OHSSHAWZKUOWNM-OAHLLOKOSA-N 1 0 395.529 -0.092 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418766099 1073714369 /nfs/dbraw/zinc/71/43/69/1073714369.db2.gz QHCFCEIHOLBBBB-KBPBESRZSA-N 1 0 378.477 -0.384 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418766107 1073714763 /nfs/dbraw/zinc/71/47/63/1073714763.db2.gz QHCFCEIHOLBBBB-KGLIPLIRSA-N 1 0 378.477 -0.384 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418766110 1073715052 /nfs/dbraw/zinc/71/50/52/1073715052.db2.gz QHCFCEIHOLBBBB-UONOGXRCSA-N 1 0 378.477 -0.384 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418766113 1073714884 /nfs/dbraw/zinc/71/48/84/1073714884.db2.gz QHCFCEIHOLBBBB-ZIAGYGMSSA-N 1 0 378.477 -0.384 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000418767147 1073714351 /nfs/dbraw/zinc/71/43/51/1073714351.db2.gz NQGGRDNFHKNALQ-AWEZNQCLSA-N 1 0 386.449 -0.170 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000418767166 1073714527 /nfs/dbraw/zinc/71/45/27/1073714527.db2.gz NQGGRDNFHKNALQ-CQSZACIVSA-N 1 0 386.449 -0.170 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000418767198 1073715089 /nfs/dbraw/zinc/71/50/89/1073715089.db2.gz RUKRCGGGQHDPGG-CYBMUJFWSA-N 1 0 398.485 -0.952 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000418767201 1073715073 /nfs/dbraw/zinc/71/50/73/1073715073.db2.gz RUKRCGGGQHDPGG-ZDUSSCGKSA-N 1 0 398.485 -0.952 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000418767210 1073715041 /nfs/dbraw/zinc/71/50/41/1073715041.db2.gz QKMXPUUFOVVVIA-AWEZNQCLSA-N 1 0 385.490 -0.360 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000418767219 1073715115 /nfs/dbraw/zinc/71/51/15/1073715115.db2.gz QKMXPUUFOVVVIA-CQSZACIVSA-N 1 0 385.490 -0.360 20 0 GBADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)C2 ZINC000418767555 1073714700 /nfs/dbraw/zinc/71/47/00/1073714700.db2.gz NZKQVOWCMRDWQQ-AWEZNQCLSA-N 1 0 382.486 -0.007 20 0 GBADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[NH2+]CCO1)C2 ZINC000418767556 1073715102 /nfs/dbraw/zinc/71/51/02/1073715102.db2.gz NZKQVOWCMRDWQQ-CQSZACIVSA-N 1 0 382.486 -0.007 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H]1C[NH3+] ZINC000418768283 1073714961 /nfs/dbraw/zinc/71/49/61/1073714961.db2.gz TZWMCWFZSOBWOX-KBPBESRZSA-N 1 0 378.477 -0.527 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H]1C[NH3+] ZINC000418768285 1073714737 /nfs/dbraw/zinc/71/47/37/1073714737.db2.gz TZWMCWFZSOBWOX-KGLIPLIRSA-N 1 0 378.477 -0.527 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@@H]1C[NH3+] ZINC000418768287 1073714411 /nfs/dbraw/zinc/71/44/11/1073714411.db2.gz TZWMCWFZSOBWOX-UONOGXRCSA-N 1 0 378.477 -0.527 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@@H]1C[NH3+] ZINC000418768290 1073715499 /nfs/dbraw/zinc/71/54/99/1073715499.db2.gz TZWMCWFZSOBWOX-ZIAGYGMSSA-N 1 0 378.477 -0.527 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CCCCC1 ZINC000418769137 1073714825 /nfs/dbraw/zinc/71/48/25/1073714825.db2.gz UVDJGJXFTSMDSQ-UHFFFAOYSA-N 1 0 378.477 -0.335 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000418769243 1073715019 /nfs/dbraw/zinc/71/50/19/1073715019.db2.gz VBOUSPGKFRAKRV-UHFFFAOYSA-N 1 0 382.486 -0.187 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCC1 ZINC000418770122 1073716030 /nfs/dbraw/zinc/71/60/30/1073716030.db2.gz WDEVCQANQKKLBX-AWEZNQCLSA-N 1 0 378.477 -0.479 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCC1 ZINC000418770123 1073716103 /nfs/dbraw/zinc/71/61/03/1073716103.db2.gz WDEVCQANQKKLBX-CQSZACIVSA-N 1 0 378.477 -0.479 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000418770771 1073717130 /nfs/dbraw/zinc/71/71/30/1073717130.db2.gz XJSCNYJXGNNFLY-UHFFFAOYSA-N 1 0 380.470 -0.481 20 0 GBADRO Nc1nc(CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)nc2ccccc12 ZINC000418771575 1073716480 /nfs/dbraw/zinc/71/64/80/1073716480.db2.gz RTJGZRGELXEOEY-AWEZNQCLSA-N 1 0 385.472 0.028 20 0 GBADRO Nc1nc(CN2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)nc2ccccc12 ZINC000418771576 1073716975 /nfs/dbraw/zinc/71/69/75/1073716975.db2.gz RTJGZRGELXEOEY-CQSZACIVSA-N 1 0 385.472 0.028 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418771642 1073716777 /nfs/dbraw/zinc/71/67/77/1073716777.db2.gz YLTXNWNERUBZPK-CHWSQXEVSA-N 1 0 394.476 -0.883 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418771643 1073716809 /nfs/dbraw/zinc/71/68/09/1073716809.db2.gz YLTXNWNERUBZPK-OLZOCXBDSA-N 1 0 394.476 -0.883 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418771644 1073717075 /nfs/dbraw/zinc/71/70/75/1073717075.db2.gz YLTXNWNERUBZPK-QWHCGFSZSA-N 1 0 394.476 -0.883 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000418771645 1073716709 /nfs/dbraw/zinc/71/67/09/1073716709.db2.gz YLTXNWNERUBZPK-STQMWFEESA-N 1 0 394.476 -0.883 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000418773597 1073715651 /nfs/dbraw/zinc/71/56/51/1073715651.db2.gz XZTPZIVIOLBGPD-CABCVRRESA-N 1 0 390.554 -0.856 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000418773598 1073715767 /nfs/dbraw/zinc/71/57/67/1073715767.db2.gz XZTPZIVIOLBGPD-GJZGRUSLSA-N 1 0 390.554 -0.856 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000418773599 1073715749 /nfs/dbraw/zinc/71/57/49/1073715749.db2.gz XZTPZIVIOLBGPD-HUUCEWRRSA-N 1 0 390.554 -0.856 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000418773600 1073715666 /nfs/dbraw/zinc/71/56/66/1073715666.db2.gz XZTPZIVIOLBGPD-LSDHHAIUSA-N 1 0 390.554 -0.856 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418773790 1073715415 /nfs/dbraw/zinc/71/54/15/1073715415.db2.gz URVNXVPPLPGGST-AWEZNQCLSA-N 1 0 397.501 -0.585 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418773791 1073715880 /nfs/dbraw/zinc/71/58/80/1073715880.db2.gz URVNXVPPLPGGST-CQSZACIVSA-N 1 0 397.501 -0.585 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418776075 530346630 /nfs/dbraw/zinc/34/66/30/530346630.db2.gz XBHNGBQQAANKIL-AWEZNQCLSA-N 1 0 378.495 -0.943 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418776076 530346311 /nfs/dbraw/zinc/34/63/11/530346311.db2.gz XBHNGBQQAANKIL-CQSZACIVSA-N 1 0 378.495 -0.943 20 0 GBADRO O=C(NCCOC1CCCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418776221 1073715779 /nfs/dbraw/zinc/71/57/79/1073715779.db2.gz FQSVCFAPMOLPQQ-HNNXBMFYSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCCOC1CCCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418776222 1073715447 /nfs/dbraw/zinc/71/54/47/1073715447.db2.gz FQSVCFAPMOLPQQ-OAHLLOKOSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418776573 1073716955 /nfs/dbraw/zinc/71/69/55/1073716955.db2.gz UEQHTQOAPLYXPU-HNNXBMFYSA-N 1 0 381.477 -0.769 20 0 GBADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000418776574 1073716825 /nfs/dbraw/zinc/71/68/25/1073716825.db2.gz UEQHTQOAPLYXPU-OAHLLOKOSA-N 1 0 381.477 -0.769 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000418777123 1073716679 /nfs/dbraw/zinc/71/66/79/1073716679.db2.gz GZFJKJDZGMUHMX-DZGCQCFKSA-N 1 0 376.457 -0.016 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000418777124 1073716573 /nfs/dbraw/zinc/71/65/73/1073716573.db2.gz GZFJKJDZGMUHMX-HIFRSBDPSA-N 1 0 376.457 -0.016 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000418777125 1073716764 /nfs/dbraw/zinc/71/67/64/1073716764.db2.gz GZFJKJDZGMUHMX-UKRRQHHQSA-N 1 0 376.457 -0.016 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000418777126 1073716416 /nfs/dbraw/zinc/71/64/16/1073716416.db2.gz GZFJKJDZGMUHMX-ZFWWWQNUSA-N 1 0 376.457 -0.016 20 0 GBADRO CN(C(=O)C(=O)NCCOc1ccc(C(F)(F)F)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418779959 1073716739 /nfs/dbraw/zinc/71/67/39/1073716739.db2.gz KBTZCPHOVQMIAT-STQMWFEESA-N 1 0 375.347 -0.009 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418779961 1073716886 /nfs/dbraw/zinc/71/68/86/1073716886.db2.gz KCGITMALONWQEB-CABCVRRESA-N 1 0 395.504 -0.922 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418779963 1073716624 /nfs/dbraw/zinc/71/66/24/1073716624.db2.gz KCGITMALONWQEB-GJZGRUSLSA-N 1 0 395.504 -0.922 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418779964 1073716861 /nfs/dbraw/zinc/71/68/61/1073716861.db2.gz KCGITMALONWQEB-HUUCEWRRSA-N 1 0 395.504 -0.922 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418779965 1073716582 /nfs/dbraw/zinc/71/65/82/1073716582.db2.gz KCGITMALONWQEB-LSDHHAIUSA-N 1 0 395.504 -0.922 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)cc1 ZINC000418781410 1073717869 /nfs/dbraw/zinc/71/78/69/1073717869.db2.gz LYGQVHSTQLAIPO-DOMZBBRYSA-N 1 0 392.456 -0.230 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)cc1 ZINC000418781411 1073717945 /nfs/dbraw/zinc/71/79/45/1073717945.db2.gz LYGQVHSTQLAIPO-IUODEOHRSA-N 1 0 392.456 -0.230 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)cc1 ZINC000418781412 1073717965 /nfs/dbraw/zinc/71/79/65/1073717965.db2.gz LYGQVHSTQLAIPO-SWLSCSKDSA-N 1 0 392.456 -0.230 20 0 GBADRO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)cc1 ZINC000418781413 1073717643 /nfs/dbraw/zinc/71/76/43/1073717643.db2.gz LYGQVHSTQLAIPO-WFASDCNBSA-N 1 0 392.456 -0.230 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418782340 1073717725 /nfs/dbraw/zinc/71/77/25/1073717725.db2.gz NHNJRJZZDJNACR-NEPJUHHUSA-N 1 0 395.426 -0.640 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418782341 1073717755 /nfs/dbraw/zinc/71/77/55/1073717755.db2.gz NHNJRJZZDJNACR-NWDGAFQWSA-N 1 0 395.426 -0.640 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418782342 1073717426 /nfs/dbraw/zinc/71/74/26/1073717426.db2.gz NHNJRJZZDJNACR-RYUDHWBXSA-N 1 0 395.426 -0.640 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418782343 1073718022 /nfs/dbraw/zinc/71/80/22/1073718022.db2.gz NHNJRJZZDJNACR-VXGBXAGGSA-N 1 0 395.426 -0.640 20 0 GBADRO COc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000418783580 530346524 /nfs/dbraw/zinc/34/65/24/530346524.db2.gz OSRNQIJKCDWDRL-STQMWFEESA-N 1 0 386.246 -0.135 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000418784250 1073717824 /nfs/dbraw/zinc/71/78/24/1073717824.db2.gz PNDZAQDWEGOOGJ-HNNXBMFYSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000418784251 1073717605 /nfs/dbraw/zinc/71/76/05/1073717605.db2.gz PNDZAQDWEGOOGJ-OAHLLOKOSA-N 1 0 398.467 -0.198 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418786253 1073717028 /nfs/dbraw/zinc/71/70/28/1073717028.db2.gz FIHOYZMCEMEORG-MSOLQXFVSA-N 1 0 390.484 -0.849 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000418786254 1073716502 /nfs/dbraw/zinc/71/65/02/1073716502.db2.gz FIHOYZMCEMEORG-QZTJIDSGSA-N 1 0 390.484 -0.849 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418786255 1073716643 /nfs/dbraw/zinc/71/66/43/1073716643.db2.gz FIHOYZMCEMEORG-ROUUACIJSA-N 1 0 390.484 -0.849 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000418786256 1073717451 /nfs/dbraw/zinc/71/74/51/1073717451.db2.gz FIHOYZMCEMEORG-ZWKOTPCHSA-N 1 0 390.484 -0.849 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000418787436 1073717833 /nfs/dbraw/zinc/71/78/33/1073717833.db2.gz JVTGBWHNTGOLSY-CABCVRRESA-N 1 0 391.538 -0.381 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000418787440 1073717883 /nfs/dbraw/zinc/71/78/83/1073717883.db2.gz JVTGBWHNTGOLSY-GJZGRUSLSA-N 1 0 391.538 -0.381 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000418787441 1073718029 /nfs/dbraw/zinc/71/80/29/1073718029.db2.gz JVTGBWHNTGOLSY-HUUCEWRRSA-N 1 0 391.538 -0.381 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000418787442 1073717736 /nfs/dbraw/zinc/71/77/36/1073717736.db2.gz JVTGBWHNTGOLSY-LSDHHAIUSA-N 1 0 391.538 -0.381 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCO1 ZINC000418789005 1073717997 /nfs/dbraw/zinc/71/79/97/1073717997.db2.gz IICGPNSCGKTQRG-MSOLQXFVSA-N 1 0 390.484 -0.768 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCO1 ZINC000418789006 1073717377 /nfs/dbraw/zinc/71/73/77/1073717377.db2.gz IICGPNSCGKTQRG-QZTJIDSGSA-N 1 0 390.484 -0.768 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCO1 ZINC000418789007 1073717709 /nfs/dbraw/zinc/71/77/09/1073717709.db2.gz IICGPNSCGKTQRG-ROUUACIJSA-N 1 0 390.484 -0.768 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCO1 ZINC000418789008 1073717616 /nfs/dbraw/zinc/71/76/16/1073717616.db2.gz IICGPNSCGKTQRG-ZWKOTPCHSA-N 1 0 390.484 -0.768 20 0 GBADRO Cc1cccc2nc(CNC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cn21 ZINC000418789996 1073718686 /nfs/dbraw/zinc/71/86/86/1073718686.db2.gz JMBRINPANGHCDN-AWEZNQCLSA-N 1 0 386.456 -0.428 20 0 GBADRO Cc1cccc2nc(CNC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cn21 ZINC000418790006 1073718950 /nfs/dbraw/zinc/71/89/50/1073718950.db2.gz JMBRINPANGHCDN-CQSZACIVSA-N 1 0 386.456 -0.428 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418791400 1073717861 /nfs/dbraw/zinc/71/78/61/1073717861.db2.gz YUEDDPXXOYBNSB-KBPBESRZSA-N 1 0 383.493 -0.747 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418791402 1073717714 /nfs/dbraw/zinc/71/77/14/1073717714.db2.gz YUEDDPXXOYBNSB-KGLIPLIRSA-N 1 0 383.493 -0.747 20 0 GBADRO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418791403 1073717691 /nfs/dbraw/zinc/71/76/91/1073717691.db2.gz YUEDDPXXOYBNSB-UONOGXRCSA-N 1 0 383.493 -0.747 20 0 GBADRO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418791674 1073717587 /nfs/dbraw/zinc/71/75/87/1073717587.db2.gz YUEDDPXXOYBNSB-ZIAGYGMSSA-N 1 0 383.493 -0.747 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418792735 1073717468 /nfs/dbraw/zinc/71/74/68/1073717468.db2.gz NCLHGZZFQIVSJJ-GFCCVEGCSA-N 1 0 386.399 -0.238 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418792736 1073717669 /nfs/dbraw/zinc/71/76/69/1073717669.db2.gz NCLHGZZFQIVSJJ-LBPRGKRZSA-N 1 0 386.399 -0.238 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418793888 1073718640 /nfs/dbraw/zinc/71/86/40/1073718640.db2.gz AWHJOTKTFATWQV-CYBMUJFWSA-N 1 0 384.427 -0.175 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000418793889 1073719161 /nfs/dbraw/zinc/71/91/61/1073719161.db2.gz AWHJOTKTFATWQV-ZDUSSCGKSA-N 1 0 384.427 -0.175 20 0 GBADRO O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418794104 1073718567 /nfs/dbraw/zinc/71/85/67/1073718567.db2.gz POQWUEXKINCZNN-CEXWTWQISA-N 1 0 386.496 -0.276 20 0 GBADRO O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418794114 1073718377 /nfs/dbraw/zinc/71/83/77/1073718377.db2.gz POQWUEXKINCZNN-OTWHNJEPSA-N 1 0 386.496 -0.276 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418795277 1073718775 /nfs/dbraw/zinc/71/87/75/1073718775.db2.gz CIHLMPAPKSSYMD-NEPJUHHUSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418795278 1073718739 /nfs/dbraw/zinc/71/87/39/1073718739.db2.gz CIHLMPAPKSSYMD-NWDGAFQWSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418795279 1073718477 /nfs/dbraw/zinc/71/84/77/1073718477.db2.gz CIHLMPAPKSSYMD-RYUDHWBXSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418795280 1073718898 /nfs/dbraw/zinc/71/88/98/1073718898.db2.gz CIHLMPAPKSSYMD-VXGBXAGGSA-N 1 0 380.832 -0.334 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(N2CCOCC2)c1 ZINC000418797956 1073718987 /nfs/dbraw/zinc/71/89/87/1073718987.db2.gz ABLUORFCAUOWPV-INIZCTEOSA-N 1 0 376.457 -0.366 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(N2CCOCC2)c1 ZINC000418797957 1073718793 /nfs/dbraw/zinc/71/87/93/1073718793.db2.gz ABLUORFCAUOWPV-MRXNPFEDSA-N 1 0 376.457 -0.366 20 0 GBADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C(=O)NCC[NH3+] ZINC000418798195 530346602 /nfs/dbraw/zinc/34/66/02/530346602.db2.gz GXVAMMHZJMWJFV-UHFFFAOYSA-N 1 0 385.262 -0.011 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 ZINC000418798212 1073718461 /nfs/dbraw/zinc/71/84/61/1073718461.db2.gz GXXRDTNRMTXERV-NEPJUHHUSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 ZINC000418798217 1073719052 /nfs/dbraw/zinc/71/90/52/1073719052.db2.gz GXXRDTNRMTXERV-NWDGAFQWSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 ZINC000418798218 1073718453 /nfs/dbraw/zinc/71/84/53/1073718453.db2.gz GXXRDTNRMTXERV-RYUDHWBXSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCO1 ZINC000418798219 1073718471 /nfs/dbraw/zinc/71/84/71/1073718471.db2.gz GXXRDTNRMTXERV-VXGBXAGGSA-N 1 0 380.832 -0.252 20 0 GBADRO COCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418799816 1073718874 /nfs/dbraw/zinc/71/88/74/1073718874.db2.gz BCZTXXHVWQSIHO-HNNXBMFYSA-N 1 0 382.505 -0.164 20 0 GBADRO COCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418799817 1073718848 /nfs/dbraw/zinc/71/88/48/1073718848.db2.gz BCZTXXHVWQSIHO-OAHLLOKOSA-N 1 0 382.505 -0.164 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000418801148 1073718805 /nfs/dbraw/zinc/71/88/05/1073718805.db2.gz XIQLZYMKWIAODE-GJZGRUSLSA-N 1 0 395.504 -0.650 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000418801149 1073718386 /nfs/dbraw/zinc/71/83/86/1073718386.db2.gz XIQLZYMKWIAODE-LSDHHAIUSA-N 1 0 395.504 -0.650 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418802934 1073719927 /nfs/dbraw/zinc/71/99/27/1073719927.db2.gz KUMJEUPDVCSWIH-CYBMUJFWSA-N 1 0 393.875 -0.417 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418802943 1073719556 /nfs/dbraw/zinc/71/95/56/1073719556.db2.gz KUMJEUPDVCSWIH-ZDUSSCGKSA-N 1 0 393.875 -0.417 20 0 GBADRO CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418803954 1073719886 /nfs/dbraw/zinc/71/98/86/1073719886.db2.gz FSEJNNWUZQKIIM-KBPBESRZSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418803959 1073719939 /nfs/dbraw/zinc/71/99/39/1073719939.db2.gz FSEJNNWUZQKIIM-KGLIPLIRSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418803961 1073719933 /nfs/dbraw/zinc/71/99/33/1073719933.db2.gz FSEJNNWUZQKIIM-UONOGXRCSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418803963 1073719900 /nfs/dbraw/zinc/71/99/00/1073719900.db2.gz FSEJNNWUZQKIIM-ZIAGYGMSSA-N 1 0 384.477 -0.464 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000418804988 1073719630 /nfs/dbraw/zinc/71/96/30/1073719630.db2.gz BCSYUXGRSCHAPC-AWEZNQCLSA-N 1 0 393.875 -0.417 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000418804989 1073719989 /nfs/dbraw/zinc/71/99/89/1073719989.db2.gz BCSYUXGRSCHAPC-CQSZACIVSA-N 1 0 393.875 -0.417 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000418805400 1073720031 /nfs/dbraw/zinc/72/00/31/1073720031.db2.gz HGWPVHDIZDDQJT-ZWKOTPCHSA-N 1 0 382.468 -0.134 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000418808091 1073720042 /nfs/dbraw/zinc/72/00/42/1073720042.db2.gz DUWPWMAJPCMEIF-CYBMUJFWSA-N 1 0 382.848 -0.086 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000418808092 1073720164 /nfs/dbraw/zinc/72/01/64/1073720164.db2.gz DUWPWMAJPCMEIF-ZDUSSCGKSA-N 1 0 382.848 -0.086 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)c(OC[C@@H]2CCCO2)c1 ZINC000418808313 1073720732 /nfs/dbraw/zinc/72/07/32/1073720732.db2.gz LABWYWPRLPWJEF-INIZCTEOSA-N 1 0 379.457 -0.051 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)c(OC[C@H]2CCCO2)c1 ZINC000418808314 1073721006 /nfs/dbraw/zinc/72/10/06/1073721006.db2.gz LABWYWPRLPWJEF-MRXNPFEDSA-N 1 0 379.457 -0.051 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418808909 1073720178 /nfs/dbraw/zinc/72/01/78/1073720178.db2.gz RWZNURQTJPJROV-BPNCWPANSA-N 1 0 380.832 -0.647 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418808913 1073720007 /nfs/dbraw/zinc/72/00/07/1073720007.db2.gz RWZNURQTJPJROV-SWHYSGLUSA-N 1 0 380.832 -0.647 20 0 GBADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCC1 ZINC000418809229 1073720068 /nfs/dbraw/zinc/72/00/68/1073720068.db2.gz SEPKXYHAFUXDSK-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCC1 ZINC000418809235 1073719542 /nfs/dbraw/zinc/71/95/42/1073719542.db2.gz SEPKXYHAFUXDSK-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000418809718 1073720639 /nfs/dbraw/zinc/72/06/39/1073720639.db2.gz AGQJMHGCWKMKAQ-BXUZGUMPSA-N 1 0 386.449 -0.632 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000418809720 1073720882 /nfs/dbraw/zinc/72/08/82/1073720882.db2.gz AGQJMHGCWKMKAQ-FZMZJTMJSA-N 1 0 386.449 -0.632 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000418809723 1073720560 /nfs/dbraw/zinc/72/05/60/1073720560.db2.gz AGQJMHGCWKMKAQ-RISCZKNCSA-N 1 0 386.449 -0.632 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000418809725 1073721085 /nfs/dbraw/zinc/72/10/85/1073721085.db2.gz AGQJMHGCWKMKAQ-SMDDNHRTSA-N 1 0 386.449 -0.632 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418809777 1073720084 /nfs/dbraw/zinc/72/00/84/1073720084.db2.gz AIFNTBJUSSBDBF-GFCCVEGCSA-N 1 0 388.465 -0.323 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000418810296 1073721104 /nfs/dbraw/zinc/72/11/04/1073721104.db2.gz HEXXIEXKHKRRHO-AAEUAGOBSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000418810297 1073720587 /nfs/dbraw/zinc/72/05/87/1073720587.db2.gz HEXXIEXKHKRRHO-DGCLKSJQSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000418810300 1073720980 /nfs/dbraw/zinc/72/09/80/1073720980.db2.gz HEXXIEXKHKRRHO-WCQYABFASA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000418810302 1073720918 /nfs/dbraw/zinc/72/09/18/1073720918.db2.gz HEXXIEXKHKRRHO-YPMHNXCESA-N 1 0 380.832 -0.334 20 0 GBADRO CN1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000418810333 1073720508 /nfs/dbraw/zinc/72/05/08/1073720508.db2.gz UFQOYUGPECMIDT-JMSVASOKSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000418810334 1073720903 /nfs/dbraw/zinc/72/09/03/1073720903.db2.gz UFQOYUGPECMIDT-LALPHHSUSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1C[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1=O ZINC000418810335 1073720934 /nfs/dbraw/zinc/72/09/34/1073720934.db2.gz UFQOYUGPECMIDT-TYNCELHUSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1C[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1=O ZINC000418810336 1073720992 /nfs/dbraw/zinc/72/09/92/1073720992.db2.gz UFQOYUGPECMIDT-XUJVJEKNSA-N 1 0 380.395 -0.127 20 0 GBADRO COCC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000418810797 1073720524 /nfs/dbraw/zinc/72/05/24/1073720524.db2.gz OUGJNAPZFIVFQS-KBPBESRZSA-N 1 0 380.445 -0.213 20 0 GBADRO COCC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000418810798 1073720838 /nfs/dbraw/zinc/72/08/38/1073720838.db2.gz OUGJNAPZFIVFQS-KGLIPLIRSA-N 1 0 380.445 -0.213 20 0 GBADRO COCC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000418810799 1073720885 /nfs/dbraw/zinc/72/08/85/1073720885.db2.gz OUGJNAPZFIVFQS-UONOGXRCSA-N 1 0 380.445 -0.213 20 0 GBADRO COCC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccco1 ZINC000418810800 1073720577 /nfs/dbraw/zinc/72/05/77/1073720577.db2.gz OUGJNAPZFIVFQS-ZIAGYGMSSA-N 1 0 380.445 -0.213 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418811701 1073720829 /nfs/dbraw/zinc/72/08/29/1073720829.db2.gz WBNLMYZCLBCIQU-GFCCVEGCSA-N 1 0 382.848 -0.086 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000418811702 1073721078 /nfs/dbraw/zinc/72/10/78/1073721078.db2.gz WBNLMYZCLBCIQU-LBPRGKRZSA-N 1 0 382.848 -0.086 20 0 GBADRO O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418812174 1073720975 /nfs/dbraw/zinc/72/09/75/1073720975.db2.gz WSNQHBSBKUKBLP-QRVBRYPASA-N 1 0 386.496 -0.134 20 0 GBADRO O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418812175 1073720768 /nfs/dbraw/zinc/72/07/68/1073720768.db2.gz WSNQHBSBKUKBLP-QYZOEREBSA-N 1 0 386.496 -0.134 20 0 GBADRO O=C(NCCOc1cccc(C(F)(F)F)n1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418812671 1073720477 /nfs/dbraw/zinc/72/04/77/1073720477.db2.gz RFTDLJCXIDWFFU-JTQLQIEISA-N 1 0 376.335 -0.300 20 0 GBADRO O=C(NCCOc1cccc(C(F)(F)F)n1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418812688 1073721123 /nfs/dbraw/zinc/72/11/23/1073721123.db2.gz RFTDLJCXIDWFFU-SNVBAGLBSA-N 1 0 376.335 -0.300 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000418813182 1073720664 /nfs/dbraw/zinc/72/06/64/1073720664.db2.gz RVRWMXBDGOJRJN-UHFFFAOYSA-N 1 0 384.864 -0.428 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000418813585 1073720939 /nfs/dbraw/zinc/72/09/39/1073720939.db2.gz YOHBXRLZMVHIIW-INIZCTEOSA-N 1 0 377.464 -0.068 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000418813586 1073721092 /nfs/dbraw/zinc/72/10/92/1073721092.db2.gz YOHBXRLZMVHIIW-MRXNPFEDSA-N 1 0 377.464 -0.068 20 0 GBADRO COCc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1F ZINC000418813672 1073721141 /nfs/dbraw/zinc/72/11/41/1073721141.db2.gz JDHVAXRYHCBLEE-AWEZNQCLSA-N 1 0 394.447 -0.098 20 0 GBADRO COCc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1F ZINC000418813673 1073720963 /nfs/dbraw/zinc/72/09/63/1073720963.db2.gz JDHVAXRYHCBLEE-CQSZACIVSA-N 1 0 394.447 -0.098 20 0 GBADRO Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418815534 1073721905 /nfs/dbraw/zinc/72/19/05/1073721905.db2.gz KRWOVLLKQUGLRP-GDBMZVCRSA-N 1 0 392.504 -0.210 20 0 GBADRO Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418815535 1073721573 /nfs/dbraw/zinc/72/15/73/1073721573.db2.gz KRWOVLLKQUGLRP-GOEBONIOSA-N 1 0 392.504 -0.210 20 0 GBADRO Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418815536 1073721819 /nfs/dbraw/zinc/72/18/19/1073721819.db2.gz KRWOVLLKQUGLRP-HOCLYGCPSA-N 1 0 392.504 -0.210 20 0 GBADRO Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418815537 1073721928 /nfs/dbraw/zinc/72/19/28/1073721928.db2.gz KRWOVLLKQUGLRP-ZBFHGGJFSA-N 1 0 392.504 -0.210 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)CCO1 ZINC000418817878 1073721659 /nfs/dbraw/zinc/72/16/59/1073721659.db2.gz SMPAYDRSFITQKK-JTQLQIEISA-N 1 0 376.335 -0.219 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)CCO1 ZINC000418817879 1073722025 /nfs/dbraw/zinc/72/20/25/1073722025.db2.gz SMPAYDRSFITQKK-SNVBAGLBSA-N 1 0 376.335 -0.219 20 0 GBADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000418818578 1073722960 /nfs/dbraw/zinc/72/29/60/1073722960.db2.gz NLYVWSFKBLZEHY-HNNXBMFYSA-N 1 0 389.456 -0.016 20 0 GBADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000418818579 1073722937 /nfs/dbraw/zinc/72/29/37/1073722937.db2.gz NLYVWSFKBLZEHY-OAHLLOKOSA-N 1 0 389.456 -0.016 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000418818724 1073722892 /nfs/dbraw/zinc/72/28/92/1073722892.db2.gz CJGCAGJTEJKHQL-AUUYWEPGSA-N 1 0 389.456 -0.153 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000418818725 1073722874 /nfs/dbraw/zinc/72/28/74/1073722874.db2.gz CJGCAGJTEJKHQL-IFXJQAMLSA-N 1 0 389.456 -0.153 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000418818726 1073723012 /nfs/dbraw/zinc/72/30/12/1073723012.db2.gz CJGCAGJTEJKHQL-KUHUBIRLSA-N 1 0 389.456 -0.153 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000418818727 1073722865 /nfs/dbraw/zinc/72/28/65/1073722865.db2.gz CJGCAGJTEJKHQL-LIRRHRJNSA-N 1 0 389.456 -0.153 20 0 GBADRO COCCOc1cc(C)ccc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000418818932 1073722039 /nfs/dbraw/zinc/72/20/39/1073722039.db2.gz JKFHPEIRGVAEOM-UHFFFAOYSA-N 1 0 378.473 -0.342 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000418819865 1073721957 /nfs/dbraw/zinc/72/19/57/1073721957.db2.gz DUXQXKUHJUUAGK-CYBMUJFWSA-N 1 0 386.449 -0.488 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000418819872 1073721623 /nfs/dbraw/zinc/72/16/23/1073721623.db2.gz DUXQXKUHJUUAGK-ZDUSSCGKSA-N 1 0 386.449 -0.488 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000418819902 1073721518 /nfs/dbraw/zinc/72/15/18/1073721518.db2.gz PFFFNMYLJDMYHG-UHFFFAOYSA-N 1 0 396.495 -0.001 20 0 GBADRO O=C(NCCOc1cccc(C(F)(F)F)n1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418820141 1073722945 /nfs/dbraw/zinc/72/29/45/1073722945.db2.gz VRPDJCALTMMZEX-UHFFFAOYSA-N 1 0 389.378 -0.383 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000418820370 1073723529 /nfs/dbraw/zinc/72/35/29/1073723529.db2.gz FLNAAQRGMJVWDB-AUUYWEPGSA-N 1 0 389.456 -0.009 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000418820383 1073723840 /nfs/dbraw/zinc/72/38/40/1073723840.db2.gz FLNAAQRGMJVWDB-IFXJQAMLSA-N 1 0 389.456 -0.009 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000418820384 1073723797 /nfs/dbraw/zinc/72/37/97/1073723797.db2.gz FLNAAQRGMJVWDB-KUHUBIRLSA-N 1 0 389.456 -0.009 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000418820385 1073723569 /nfs/dbraw/zinc/72/35/69/1073723569.db2.gz FLNAAQRGMJVWDB-LIRRHRJNSA-N 1 0 389.456 -0.009 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000418820505 1073723633 /nfs/dbraw/zinc/72/36/33/1073723633.db2.gz VXDZMYMHSRDUJI-HNNXBMFYSA-N 1 0 396.875 -0.021 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000418820506 1073940802 /nfs/dbraw/zinc/94/08/02/1073940802.db2.gz VXDZMYMHSRDUJI-OAHLLOKOSA-N 1 0 396.875 -0.021 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C[C@@H](C)[NH2+]1 ZINC000418821804 1073722685 /nfs/dbraw/zinc/72/26/85/1073722685.db2.gz GWMPMRGCKOLNJN-CLUVUEOHSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C[C@H](C)[NH2+]1 ZINC000418821809 1073722974 /nfs/dbraw/zinc/72/29/74/1073722974.db2.gz GWMPMRGCKOLNJN-CRTZDJKQSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[C@@H](C)[NH2+]1 ZINC000418821811 1073722931 /nfs/dbraw/zinc/72/29/31/1073722931.db2.gz GWMPMRGCKOLNJN-HNYWDRBLSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[C@H](C)[NH2+]1 ZINC000418821818 1073722965 /nfs/dbraw/zinc/72/29/65/1073722965.db2.gz GWMPMRGCKOLNJN-UYSIFFEZSA-N 1 0 387.440 -0.434 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418822523 1072166815 /nfs/dbraw/zinc/16/68/15/1072166815.db2.gz AVEMEECXYJWGNH-KRWDZBQOSA-N 1 0 378.473 -0.138 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418822534 1072166522 /nfs/dbraw/zinc/16/65/22/1072166522.db2.gz AVEMEECXYJWGNH-QGZVFWFLSA-N 1 0 378.473 -0.138 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000418822758 1073722898 /nfs/dbraw/zinc/72/28/98/1073722898.db2.gz HKNOVFLMLRKFHY-GFCCVEGCSA-N 1 0 386.449 -0.617 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CC[NH2+]1 ZINC000418822770 1073722662 /nfs/dbraw/zinc/72/26/62/1073722662.db2.gz HKNOVFLMLRKFHY-LBPRGKRZSA-N 1 0 386.449 -0.617 20 0 GBADRO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418822781 1073722802 /nfs/dbraw/zinc/72/28/02/1073722802.db2.gz BEWVQZTVSVWYCG-DLBZAZTESA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418822787 1073722845 /nfs/dbraw/zinc/72/28/45/1073722845.db2.gz BEWVQZTVSVWYCG-IAGOWNOFSA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418822789 1073722998 /nfs/dbraw/zinc/72/29/98/1073722998.db2.gz BEWVQZTVSVWYCG-IRXDYDNUSA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418822791 1073722915 /nfs/dbraw/zinc/72/29/15/1073722915.db2.gz BEWVQZTVSVWYCG-SJORKVTESA-N 1 0 394.447 -0.580 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418823674 1073722976 /nfs/dbraw/zinc/72/29/76/1073722976.db2.gz IOHAUUFWDOHKLZ-UHFFFAOYSA-N 1 0 386.449 -0.616 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)NC(=O)NC1=O ZINC000418823764 1073722921 /nfs/dbraw/zinc/72/29/21/1073722921.db2.gz IQPGFTOQOMRUBL-IBGZPJMESA-N 1 0 387.440 -0.432 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)NC(=O)NC1=O ZINC000418823767 1073722622 /nfs/dbraw/zinc/72/26/22/1073722622.db2.gz IQPGFTOQOMRUBL-LJQANCHMSA-N 1 0 387.440 -0.432 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824253 1073722601 /nfs/dbraw/zinc/72/26/01/1073722601.db2.gz DCXSROAIWLGANV-CABCVRRESA-N 1 0 393.488 -0.155 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824255 1073722749 /nfs/dbraw/zinc/72/27/49/1073722749.db2.gz DCXSROAIWLGANV-GJZGRUSLSA-N 1 0 393.488 -0.155 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824256 1073722576 /nfs/dbraw/zinc/72/25/76/1073722576.db2.gz DCXSROAIWLGANV-HUUCEWRRSA-N 1 0 393.488 -0.155 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824257 1073722829 /nfs/dbraw/zinc/72/28/29/1073722829.db2.gz DCXSROAIWLGANV-LSDHHAIUSA-N 1 0 393.488 -0.155 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418824395 1073722909 /nfs/dbraw/zinc/72/29/09/1073722909.db2.gz IXKBKEYREFAJJE-UHFFFAOYSA-N 1 0 388.465 -0.370 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000418824749 1073722647 /nfs/dbraw/zinc/72/26/47/1073722647.db2.gz ZTFZIYQNZIDKBO-HNNXBMFYSA-N 1 0 377.464 -0.068 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000418824752 1073722858 /nfs/dbraw/zinc/72/28/58/1073722858.db2.gz ZTFZIYQNZIDKBO-OAHLLOKOSA-N 1 0 377.464 -0.068 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C[NH2+]1 ZINC000418825296 1073723032 /nfs/dbraw/zinc/72/30/32/1073723032.db2.gz JOAVBJUBQMIBID-CLUVUEOHSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C[NH2+]1 ZINC000418825299 1073722490 /nfs/dbraw/zinc/72/24/90/1073722490.db2.gz JOAVBJUBQMIBID-HNYWDRBLSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C[NH2+]1 ZINC000418825301 1073723014 /nfs/dbraw/zinc/72/30/14/1073723014.db2.gz JOAVBJUBQMIBID-UFYHVXEKSA-N 1 0 387.440 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C[NH2+]1 ZINC000418825303 1073722813 /nfs/dbraw/zinc/72/28/13/1073722813.db2.gz JOAVBJUBQMIBID-UYSIFFEZSA-N 1 0 387.440 -0.434 20 0 GBADRO CN(CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418825341 1073723773 /nfs/dbraw/zinc/72/37/73/1073723773.db2.gz JYMGXHIYPFGJTN-AWEZNQCLSA-N 1 0 386.449 -0.584 20 0 GBADRO CN(CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418825342 1073723475 /nfs/dbraw/zinc/72/34/75/1073723475.db2.gz JYMGXHIYPFGJTN-CQSZACIVSA-N 1 0 386.449 -0.584 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418826532 1073723897 /nfs/dbraw/zinc/72/38/97/1073723897.db2.gz GCGUBTUXOHVBQS-KRWDZBQOSA-N 1 0 378.473 -0.090 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418826533 1073723789 /nfs/dbraw/zinc/72/37/89/1073723789.db2.gz GCGUBTUXOHVBQS-QGZVFWFLSA-N 1 0 378.473 -0.090 20 0 GBADRO CN(C(=O)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000418826963 1073723412 /nfs/dbraw/zinc/72/34/12/1073723412.db2.gz VOSBSDFWQSYOJB-ROUUACIJSA-N 1 0 383.452 -0.232 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1 ZINC000418826988 1073723956 /nfs/dbraw/zinc/72/39/56/1073723956.db2.gz LCSOTOAUNNQWDD-CYBMUJFWSA-N 1 0 386.449 -0.569 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1 ZINC000418826989 1073723380 /nfs/dbraw/zinc/72/33/80/1073723380.db2.gz LCSOTOAUNNQWDD-ZDUSSCGKSA-N 1 0 386.449 -0.569 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCO1 ZINC000418827287 1073723755 /nfs/dbraw/zinc/72/37/55/1073723755.db2.gz GPCFSEJUOGDZOH-DLBZAZTESA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCO1 ZINC000418827296 1073723651 /nfs/dbraw/zinc/72/36/51/1073723651.db2.gz GPCFSEJUOGDZOH-IAGOWNOFSA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCO1 ZINC000418827298 1073723890 /nfs/dbraw/zinc/72/38/90/1073723890.db2.gz GPCFSEJUOGDZOH-IRXDYDNUSA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCO1 ZINC000418827299 1073723781 /nfs/dbraw/zinc/72/37/81/1073723781.db2.gz GPCFSEJUOGDZOH-SJORKVTESA-N 1 0 394.447 -0.499 20 0 GBADRO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418827360 1073723646 /nfs/dbraw/zinc/72/36/46/1073723646.db2.gz GVVJAUSVOWNTPX-JZXOWHBKSA-N 1 0 390.459 -0.007 20 0 GBADRO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418827361 1073723436 /nfs/dbraw/zinc/72/34/36/1073723436.db2.gz GVVJAUSVOWNTPX-SOLBZPMBSA-N 1 0 390.459 -0.007 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418828106 1073941763 /nfs/dbraw/zinc/94/17/63/1073941763.db2.gz HODDLKYLHNSJRW-PBHICJAKSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418828122 1073942155 /nfs/dbraw/zinc/94/21/55/1073942155.db2.gz HODDLKYLHNSJRW-RHSMWYFYSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418828126 1073723666 /nfs/dbraw/zinc/72/36/66/1073723666.db2.gz HODDLKYLHNSJRW-WMLDXEAASA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418828130 1073723765 /nfs/dbraw/zinc/72/37/65/1073723765.db2.gz HODDLKYLHNSJRW-YOEHRIQHSA-N 1 0 378.473 -0.010 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418828963 1073723676 /nfs/dbraw/zinc/72/36/76/1073723676.db2.gz MQDRDFSCFGILCI-GFCCVEGCSA-N 1 0 386.449 -0.617 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418828964 1073723826 /nfs/dbraw/zinc/72/38/26/1073723826.db2.gz MQDRDFSCFGILCI-LBPRGKRZSA-N 1 0 386.449 -0.617 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000418829121 1073723602 /nfs/dbraw/zinc/72/36/02/1073723602.db2.gz WSERWJRLVRAQCW-AAEUAGOBSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000418829122 1073723866 /nfs/dbraw/zinc/72/38/66/1073723866.db2.gz WSERWJRLVRAQCW-DGCLKSJQSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000418829123 1073723954 /nfs/dbraw/zinc/72/39/54/1073723954.db2.gz WSERWJRLVRAQCW-WCQYABFASA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000418829124 1073723810 /nfs/dbraw/zinc/72/38/10/1073723810.db2.gz WSERWJRLVRAQCW-YPMHNXCESA-N 1 0 380.832 -0.252 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418829628 1073724434 /nfs/dbraw/zinc/72/44/34/1073724434.db2.gz NJZUGEJGCITHBT-AWEZNQCLSA-N 1 0 386.449 -0.584 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418829630 1073724541 /nfs/dbraw/zinc/72/45/41/1073724541.db2.gz NJZUGEJGCITHBT-CQSZACIVSA-N 1 0 386.449 -0.584 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)NC(=O)NC1=O ZINC000418829742 1073724242 /nfs/dbraw/zinc/72/42/42/1073724242.db2.gz NONZSEFVZSNURY-MDOVXXIYSA-N 1 0 399.451 -0.290 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)NC(=O)NC1=O ZINC000418829752 1073724455 /nfs/dbraw/zinc/72/44/55/1073724455.db2.gz NONZSEFVZSNURY-QEEYODRMSA-N 1 0 399.451 -0.290 20 0 GBADRO CN(CCNC(=O)C(=O)NCC1([NH3+])CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000418830331 1073724279 /nfs/dbraw/zinc/72/42/79/1073724279.db2.gz OFNNCTPEKXXECD-UHFFFAOYSA-N 1 0 386.449 -0.440 20 0 GBADRO CN(C)c1cc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c2ccccc2n1 ZINC000418830462 1073724392 /nfs/dbraw/zinc/72/43/92/1073724392.db2.gz UJCPOMNHVAJSBQ-UHFFFAOYSA-N 1 0 384.484 -0.062 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000418830720 1073724414 /nfs/dbraw/zinc/72/44/14/1073724414.db2.gz JUKKZDFERGJVOW-DOTOQJQBSA-N 1 0 376.457 -0.337 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000418830721 1073724706 /nfs/dbraw/zinc/72/47/06/1073724706.db2.gz JUKKZDFERGJVOW-NVXWUHKLSA-N 1 0 376.457 -0.337 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000418830722 1073724554 /nfs/dbraw/zinc/72/45/54/1073724554.db2.gz JUKKZDFERGJVOW-RDJZCZTQSA-N 1 0 376.457 -0.337 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000418830723 1073724148 /nfs/dbraw/zinc/72/41/48/1073724148.db2.gz JUKKZDFERGJVOW-WBVHZDCISA-N 1 0 376.457 -0.337 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCC1 ZINC000418831214 1073724442 /nfs/dbraw/zinc/72/44/42/1073724442.db2.gz KNGUJVBAGKPYEH-HNNXBMFYSA-N 1 0 379.505 -0.600 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCC1 ZINC000418831218 1073724662 /nfs/dbraw/zinc/72/46/62/1073724662.db2.gz KNGUJVBAGKPYEH-OAHLLOKOSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000418831979 1073724646 /nfs/dbraw/zinc/72/46/46/1073724646.db2.gz POPYBRXYWWWXKP-AUUYWEPGSA-N 1 0 387.440 -0.303 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)C(=O)N3CCCC[C@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000418831981 1073724473 /nfs/dbraw/zinc/72/44/73/1073724473.db2.gz POPYBRXYWWWXKP-IFXJQAMLSA-N 1 0 387.440 -0.303 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000418831982 1073724656 /nfs/dbraw/zinc/72/46/56/1073724656.db2.gz POPYBRXYWWWXKP-KUHUBIRLSA-N 1 0 387.440 -0.303 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)C(=O)N3CCCC[C@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000418831984 1073724697 /nfs/dbraw/zinc/72/46/97/1073724697.db2.gz POPYBRXYWWWXKP-LIRRHRJNSA-N 1 0 387.440 -0.303 20 0 GBADRO CN(C(=O)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418832480 1073725356 /nfs/dbraw/zinc/72/53/56/1073725356.db2.gz ZGIPIJSZWRIUFX-KBPBESRZSA-N 1 0 382.848 -0.034 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000418832968 1073724187 /nfs/dbraw/zinc/72/41/87/1073724187.db2.gz QIUFIHCAWPEPRM-CYBMUJFWSA-N 1 0 386.449 -0.617 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000418832971 1073724170 /nfs/dbraw/zinc/72/41/70/1073724170.db2.gz QIUFIHCAWPEPRM-ZDUSSCGKSA-N 1 0 386.449 -0.617 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000418833194 1073724320 /nfs/dbraw/zinc/72/43/20/1073724320.db2.gz KWZGBUFXFYDPKZ-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000418833195 1073724420 /nfs/dbraw/zinc/72/44/20/1073724420.db2.gz KWZGBUFXFYDPKZ-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCOCC1 ZINC000418833716 1073725250 /nfs/dbraw/zinc/72/52/50/1073725250.db2.gz LIUFRICIXZTXIP-HNNXBMFYSA-N 1 0 397.520 -0.941 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCOCC1 ZINC000418833717 1073725452 /nfs/dbraw/zinc/72/54/52/1073725452.db2.gz LIUFRICIXZTXIP-OAHLLOKOSA-N 1 0 397.520 -0.941 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000418834560 1073725314 /nfs/dbraw/zinc/72/53/14/1073725314.db2.gz ORCOJWCHNIBKGM-OLMNPRSZSA-N 1 0 390.484 -0.010 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCCO1 ZINC000418835519 1073725578 /nfs/dbraw/zinc/72/55/78/1073725578.db2.gz PWLUZQGKJXFGQV-MSOLQXFVSA-N 1 0 390.484 -0.420 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCCO1 ZINC000418835520 1073725088 /nfs/dbraw/zinc/72/50/88/1073725088.db2.gz PWLUZQGKJXFGQV-QZTJIDSGSA-N 1 0 390.484 -0.420 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCCO1 ZINC000418835521 1073725214 /nfs/dbraw/zinc/72/52/14/1073725214.db2.gz PWLUZQGKJXFGQV-ROUUACIJSA-N 1 0 390.484 -0.420 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCCO1 ZINC000418835522 1073725639 /nfs/dbraw/zinc/72/56/39/1073725639.db2.gz PWLUZQGKJXFGQV-ZWKOTPCHSA-N 1 0 390.484 -0.420 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418836339 1073723701 /nfs/dbraw/zinc/72/37/01/1073723701.db2.gz UOYFJFZMKHDYTH-AWEZNQCLSA-N 1 0 388.465 -0.338 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418836340 1073723337 /nfs/dbraw/zinc/72/33/37/1073723337.db2.gz UOYFJFZMKHDYTH-CQSZACIVSA-N 1 0 388.465 -0.338 20 0 GBADRO O=C(NCCOc1ccccc1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418836454 1073725413 /nfs/dbraw/zinc/72/54/13/1073725413.db2.gz PWBWHXGLGZXNEU-INIZCTEOSA-N 1 0 388.468 -0.148 20 0 GBADRO O=C(NCCOc1ccccc1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418836455 1073725614 /nfs/dbraw/zinc/72/56/14/1073725614.db2.gz PWBWHXGLGZXNEU-MRXNPFEDSA-N 1 0 388.468 -0.148 20 0 GBADRO CN(CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)S(=O)(=O)c1ccc(F)cc1 ZINC000418836640 1073725468 /nfs/dbraw/zinc/72/54/68/1073725468.db2.gz VBHRHFDLWQREOK-DOMZBBRYSA-N 1 0 398.460 -0.617 20 0 GBADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837338 1073726591 /nfs/dbraw/zinc/72/65/91/1073726591.db2.gz SKPUCVBGMKFXLS-MSOLQXFVSA-N 1 0 390.484 -0.502 20 0 GBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837339 1073726648 /nfs/dbraw/zinc/72/66/48/1073726648.db2.gz SKPUCVBGMKFXLS-QZTJIDSGSA-N 1 0 390.484 -0.502 20 0 GBADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837340 1073726300 /nfs/dbraw/zinc/72/63/00/1073726300.db2.gz SKPUCVBGMKFXLS-ROUUACIJSA-N 1 0 390.484 -0.502 20 0 GBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837341 1073726111 /nfs/dbraw/zinc/72/61/11/1073726111.db2.gz SKPUCVBGMKFXLS-ZWKOTPCHSA-N 1 0 390.484 -0.502 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 ZINC000418837358 1073726623 /nfs/dbraw/zinc/72/66/23/1073726623.db2.gz SNIQEPNBFQLYRL-DLBZAZTESA-N 1 0 376.457 -0.810 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 ZINC000418837359 1073726251 /nfs/dbraw/zinc/72/62/51/1073726251.db2.gz SNIQEPNBFQLYRL-IAGOWNOFSA-N 1 0 376.457 -0.810 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCO1 ZINC000418837360 1073726441 /nfs/dbraw/zinc/72/64/41/1073726441.db2.gz SNIQEPNBFQLYRL-IRXDYDNUSA-N 1 0 376.457 -0.810 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCO1 ZINC000418837361 1073726330 /nfs/dbraw/zinc/72/63/30/1073726330.db2.gz SNIQEPNBFQLYRL-SJORKVTESA-N 1 0 376.457 -0.810 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000418837450 1073726502 /nfs/dbraw/zinc/72/65/02/1073726502.db2.gz WFBRWAKVNRHWOT-CYBMUJFWSA-N 1 0 386.449 -0.488 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000418837451 1073726089 /nfs/dbraw/zinc/72/60/89/1073726089.db2.gz WFBRWAKVNRHWOT-ZDUSSCGKSA-N 1 0 386.449 -0.488 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418837515 1073725184 /nfs/dbraw/zinc/72/51/84/1073725184.db2.gz WQHOCSDGAJFYDV-GFCCVEGCSA-N 1 0 388.465 -0.466 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418837516 1073725205 /nfs/dbraw/zinc/72/52/05/1073725205.db2.gz WQHOCSDGAJFYDV-LBPRGKRZSA-N 1 0 388.465 -0.466 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000418837928 1073724570 /nfs/dbraw/zinc/72/45/70/1073724570.db2.gz UIFBNXYVQCNROR-DLBZAZTESA-N 1 0 376.457 -0.892 20 0 GBADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418837929 1073724600 /nfs/dbraw/zinc/72/46/00/1073724600.db2.gz UIFBNXYVQCNROR-IAGOWNOFSA-N 1 0 376.457 -0.892 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000418837930 1073724515 /nfs/dbraw/zinc/72/45/15/1073724515.db2.gz UIFBNXYVQCNROR-IRXDYDNUSA-N 1 0 376.457 -0.892 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000418837931 1073724721 /nfs/dbraw/zinc/72/47/21/1073724721.db2.gz UIFBNXYVQCNROR-SJORKVTESA-N 1 0 376.457 -0.892 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000418837932 1073724625 /nfs/dbraw/zinc/72/46/25/1073724625.db2.gz UIGSZDNDDMDQCM-DOTOQJQBSA-N 1 0 376.457 -0.256 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000418837933 1073724352 /nfs/dbraw/zinc/72/43/52/1073724352.db2.gz UIGSZDNDDMDQCM-NVXWUHKLSA-N 1 0 376.457 -0.256 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000418837934 1073724534 /nfs/dbraw/zinc/72/45/34/1073724534.db2.gz UIGSZDNDDMDQCM-RDJZCZTQSA-N 1 0 376.457 -0.256 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000418837935 1073724549 /nfs/dbraw/zinc/72/45/49/1073724549.db2.gz UIGSZDNDDMDQCM-WBVHZDCISA-N 1 0 376.457 -0.256 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418837949 1073724713 /nfs/dbraw/zinc/72/47/13/1073724713.db2.gz UJTKFMZWDCHOLQ-PBHICJAKSA-N 1 0 378.473 -0.104 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418837950 1073724467 /nfs/dbraw/zinc/72/44/67/1073724467.db2.gz UJTKFMZWDCHOLQ-RHSMWYFYSA-N 1 0 378.473 -0.104 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418837951 1073724493 /nfs/dbraw/zinc/72/44/93/1073724493.db2.gz UJTKFMZWDCHOLQ-WMLDXEAASA-N 1 0 378.473 -0.104 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N2CCOCC2)cc1 ZINC000418837952 1073724619 /nfs/dbraw/zinc/72/46/19/1073724619.db2.gz UJTKFMZWDCHOLQ-YOEHRIQHSA-N 1 0 378.473 -0.104 20 0 GBADRO NCC(F)(F)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418838220 1073723714 /nfs/dbraw/zinc/72/37/14/1073723714.db2.gz BYIFFASQHFIHMX-UHFFFAOYSA-N 1 0 383.443 -0.369 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000418838326 1073726152 /nfs/dbraw/zinc/72/61/52/1073726152.db2.gz YAASRYFOCCLNBT-GOSISDBHSA-N 1 0 389.456 -0.009 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000418838330 1073726320 /nfs/dbraw/zinc/72/63/20/1073726320.db2.gz YAASRYFOCCLNBT-SFHVURJKSA-N 1 0 389.456 -0.009 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418838492 1073726642 /nfs/dbraw/zinc/72/66/42/1073726642.db2.gz BDEGZDUCZMDIEX-HUBLWGQQSA-N 1 0 382.486 -0.080 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418838493 1073726147 /nfs/dbraw/zinc/72/61/47/1073726147.db2.gz BDEGZDUCZMDIEX-SLEUVZQESA-N 1 0 382.486 -0.080 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418838494 1073726202 /nfs/dbraw/zinc/72/62/02/1073726202.db2.gz BDEGZDUCZMDIEX-TYNCELHUSA-N 1 0 382.486 -0.080 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418838495 1073726177 /nfs/dbraw/zinc/72/61/77/1073726177.db2.gz BDEGZDUCZMDIEX-XUJVJEKNSA-N 1 0 382.486 -0.080 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCCO1 ZINC000418838543 1073725498 /nfs/dbraw/zinc/72/54/98/1073725498.db2.gz VKATWZQLUVHRML-INIZCTEOSA-N 1 0 382.505 -0.286 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCCO1 ZINC000418838554 1073725568 /nfs/dbraw/zinc/72/55/68/1073725568.db2.gz VKATWZQLUVHRML-MRXNPFEDSA-N 1 0 382.505 -0.286 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418838558 1073725546 /nfs/dbraw/zinc/72/55/46/1073725546.db2.gz VKQGQYYWHWUBMT-INIZCTEOSA-N 1 0 382.436 -0.905 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000418838564 1073725431 /nfs/dbraw/zinc/72/54/31/1073725431.db2.gz VKQGQYYWHWUBMT-MRXNPFEDSA-N 1 0 382.436 -0.905 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000418838850 1073726227 /nfs/dbraw/zinc/72/62/27/1073726227.db2.gz YGXDSYPXASREDY-UHFFFAOYSA-N 1 0 388.465 -0.322 20 0 GBADRO CN(CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(F)cc1 ZINC000418838859 1073726430 /nfs/dbraw/zinc/72/64/30/1073726430.db2.gz YKOCBTNSIFIEBE-CYBMUJFWSA-N 1 0 386.449 -0.569 20 0 GBADRO CN(CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(F)cc1 ZINC000418838860 1073726365 /nfs/dbraw/zinc/72/63/65/1073726365.db2.gz YKOCBTNSIFIEBE-ZDUSSCGKSA-N 1 0 386.449 -0.569 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418839019 1073726486 /nfs/dbraw/zinc/72/64/86/1073726486.db2.gz WKGAKCPJNHJWFT-UHFFFAOYSA-N 1 0 381.521 -0.841 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N2CCOCC2)cc1 ZINC000418839148 1073726098 /nfs/dbraw/zinc/72/60/98/1073726098.db2.gz CHHZOZMGZRLFJQ-MSOLQXFVSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N2CCOCC2)cc1 ZINC000418839149 1073726208 /nfs/dbraw/zinc/72/62/08/1073726208.db2.gz CHHZOZMGZRLFJQ-QZTJIDSGSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N2CCOCC2)cc1 ZINC000418839152 1073726516 /nfs/dbraw/zinc/72/65/16/1073726516.db2.gz CHHZOZMGZRLFJQ-ROUUACIJSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N2CCOCC2)cc1 ZINC000418839153 1073726477 /nfs/dbraw/zinc/72/64/77/1073726477.db2.gz CHHZOZMGZRLFJQ-ZWKOTPCHSA-N 1 0 390.484 -0.329 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc3c2OCO3)C1 ZINC000418839266 1073726508 /nfs/dbraw/zinc/72/65/08/1073726508.db2.gz COCUQUAZGFNWCA-CYBMUJFWSA-N 1 0 376.413 -0.655 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc3c2OCO3)C1 ZINC000418839271 1073726674 /nfs/dbraw/zinc/72/66/74/1073726674.db2.gz COCUQUAZGFNWCA-ZDUSSCGKSA-N 1 0 376.413 -0.655 20 0 GBADRO CCN(CCCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)S(C)(=O)=O ZINC000418839288 1073726356 /nfs/dbraw/zinc/72/63/56/1073726356.db2.gz AKSRFCIVWOAXJO-UHFFFAOYSA-N 1 0 384.502 -0.238 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418839441 1073727160 /nfs/dbraw/zinc/72/71/60/1073727160.db2.gz WYZAQTBLZIJKPS-INIZCTEOSA-N 1 0 382.505 -0.368 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418839447 1073727440 /nfs/dbraw/zinc/72/74/40/1073727440.db2.gz WYZAQTBLZIJKPS-MRXNPFEDSA-N 1 0 382.505 -0.368 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)S(C)(=O)=O ZINC000418839687 1073725650 /nfs/dbraw/zinc/72/56/50/1073725650.db2.gz AULRZYGFBMAFQF-HNNXBMFYSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)S(C)(=O)=O ZINC000418839709 1073725167 /nfs/dbraw/zinc/72/51/67/1073725167.db2.gz AULRZYGFBMAFQF-OAHLLOKOSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)S(C)(=O)=O ZINC000418839791 1073727132 /nfs/dbraw/zinc/72/71/32/1073727132.db2.gz BCMCUPZPPZOFMJ-JKSUJKDBSA-N 1 0 396.513 -0.273 20 0 GBADRO CN(CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418839868 1073725153 /nfs/dbraw/zinc/72/51/53/1073725153.db2.gz DTMQKRBBEWMWOV-INIZCTEOSA-N 1 0 389.500 -0.057 20 0 GBADRO CN(CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000418839869 1073725562 /nfs/dbraw/zinc/72/55/62/1073725562.db2.gz ZIRIJQVZSINBJK-BETUJISGSA-N 1 0 398.460 -0.760 20 0 GBADRO CN(CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418839887 1073725402 /nfs/dbraw/zinc/72/54/02/1073725402.db2.gz DTMQKRBBEWMWOV-MRXNPFEDSA-N 1 0 389.500 -0.057 20 0 GBADRO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cn2c1 ZINC000418841098 1073726661 /nfs/dbraw/zinc/72/66/61/1073726661.db2.gz DKNOVIYMFFZNQQ-AWEZNQCLSA-N 1 0 386.456 -0.428 20 0 GBADRO Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2c1 ZINC000418841099 1073726544 /nfs/dbraw/zinc/72/65/44/1073726544.db2.gz DKNOVIYMFFZNQQ-CQSZACIVSA-N 1 0 386.456 -0.428 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N2CCOCC2)cc1 ZINC000418841181 1073726419 /nfs/dbraw/zinc/72/64/19/1073726419.db2.gz GLZGNLACNXULMW-KRWDZBQOSA-N 1 0 378.473 -0.736 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N2CCOCC2)cc1 ZINC000418841182 1073726215 /nfs/dbraw/zinc/72/62/15/1073726215.db2.gz GLZGNLACNXULMW-QGZVFWFLSA-N 1 0 378.473 -0.736 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000418841854 1073726527 /nfs/dbraw/zinc/72/65/27/1073726527.db2.gz FPCMRLHZIQXMPO-AWEZNQCLSA-N 1 0 388.468 -0.177 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000418841855 1073726565 /nfs/dbraw/zinc/72/65/65/1073726565.db2.gz FPCMRLHZIQXMPO-CQSZACIVSA-N 1 0 388.468 -0.177 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418842071 1073947193 /nfs/dbraw/zinc/94/71/93/1073947193.db2.gz ZOZHGVOLDLNXFH-KRWDZBQOSA-N 1 0 378.473 -0.090 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000418842072 1073947419 /nfs/dbraw/zinc/94/74/19/1073947419.db2.gz ZOZHGVOLDLNXFH-QGZVFWFLSA-N 1 0 378.473 -0.090 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)N2CCOCC2)cc1 ZINC000418842327 1073727108 /nfs/dbraw/zinc/72/71/08/1073727108.db2.gz ZUMWAIGRPIWNOM-KRWDZBQOSA-N 1 0 376.457 -0.384 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)N2CCOCC2)cc1 ZINC000418842330 1073727315 /nfs/dbraw/zinc/72/73/15/1073727315.db2.gz ZUMWAIGRPIWNOM-QGZVFWFLSA-N 1 0 376.457 -0.384 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC[NH2+]1 ZINC000418843561 1073726975 /nfs/dbraw/zinc/72/69/75/1073726975.db2.gz IILAXQHCQPYTAD-AWEZNQCLSA-N 1 0 388.468 -0.177 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC[NH2+]1 ZINC000418843562 1073727483 /nfs/dbraw/zinc/72/74/83/1073727483.db2.gz IILAXQHCQPYTAD-CQSZACIVSA-N 1 0 388.468 -0.177 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000418843595 1073946975 /nfs/dbraw/zinc/94/69/75/1073946975.db2.gz KFZDIYCSUWKUOC-INIZCTEOSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000418843596 1073727336 /nfs/dbraw/zinc/72/73/36/1073727336.db2.gz KFZDIYCSUWKUOC-MRXNPFEDSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000418844125 1073727274 /nfs/dbraw/zinc/72/72/74/1073727274.db2.gz JGVLJFBDCZEISL-AWEZNQCLSA-N 1 0 395.504 -0.745 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000418844126 1073727286 /nfs/dbraw/zinc/72/72/86/1073727286.db2.gz JGVLJFBDCZEISL-CQSZACIVSA-N 1 0 395.504 -0.745 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418844352 1073727606 /nfs/dbraw/zinc/72/76/06/1073727606.db2.gz LXYAYNKHLNGSFE-BJJXKVORSA-N 1 0 394.497 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418844355 1073727082 /nfs/dbraw/zinc/72/70/82/1073727082.db2.gz LXYAYNKHLNGSFE-XPKDYRNWSA-N 1 0 394.497 -0.066 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000418844398 1073727003 /nfs/dbraw/zinc/72/70/03/1073727003.db2.gz MDDOPTZYYRUHMP-INIZCTEOSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000418844399 1073727641 /nfs/dbraw/zinc/72/76/41/1073727641.db2.gz MDDOPTZYYRUHMP-MRXNPFEDSA-N 1 0 398.467 -0.198 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418844467 530346989 /nfs/dbraw/zinc/34/69/89/530346989.db2.gz KGPBVFREYBJLMP-GFCCVEGCSA-N 1 0 383.246 -0.227 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418844468 530346929 /nfs/dbraw/zinc/34/69/29/530346929.db2.gz KGPBVFREYBJLMP-LBPRGKRZSA-N 1 0 383.246 -0.227 20 0 GBADRO Cc1ccn2cc(CNC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)nc2c1 ZINC000418844830 1073727656 /nfs/dbraw/zinc/72/76/56/1073727656.db2.gz LHGUZIMQIXLSPO-AWEZNQCLSA-N 1 0 386.456 -0.428 20 0 GBADRO Cc1ccn2cc(CNC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)nc2c1 ZINC000418844831 1073727065 /nfs/dbraw/zinc/72/70/65/1073727065.db2.gz LHGUZIMQIXLSPO-CQSZACIVSA-N 1 0 386.456 -0.428 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000418844915 1073727060 /nfs/dbraw/zinc/72/70/60/1073727060.db2.gz NQAKLSYHFCAOLQ-AWEZNQCLSA-N 1 0 390.440 -0.122 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000418844916 1073726994 /nfs/dbraw/zinc/72/69/94/1073726994.db2.gz NQAKLSYHFCAOLQ-CQSZACIVSA-N 1 0 390.440 -0.122 20 0 GBADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]Cc1cccnc1)N1CCOCC1 ZINC000418845114 1073727372 /nfs/dbraw/zinc/72/73/72/1073727372.db2.gz UWKIEGCBPZKADL-UHFFFAOYSA-N 1 0 377.489 -0.096 20 0 GBADRO CC(C)CCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418845938 1073727048 /nfs/dbraw/zinc/72/70/48/1073727048.db2.gz PYLVZWIDUBBIBH-INIZCTEOSA-N 1 0 382.505 -0.164 20 0 GBADRO CC(C)CCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418845939 1073727018 /nfs/dbraw/zinc/72/70/18/1073727018.db2.gz PYLVZWIDUBBIBH-MRXNPFEDSA-N 1 0 382.505 -0.164 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000418846092 1073727543 /nfs/dbraw/zinc/72/75/43/1073727543.db2.gz QKSLNJPRKNODKD-MSOLQXFVSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000418846093 1073727143 /nfs/dbraw/zinc/72/71/43/1073727143.db2.gz QKSLNJPRKNODKD-QZTJIDSGSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000418846094 1073727525 /nfs/dbraw/zinc/72/75/25/1073727525.db2.gz QKSLNJPRKNODKD-ROUUACIJSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000418846095 1073727091 /nfs/dbraw/zinc/72/70/91/1073727091.db2.gz QKSLNJPRKNODKD-ZWKOTPCHSA-N 1 0 390.484 -0.411 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418846335 1073727218 /nfs/dbraw/zinc/72/72/18/1073727218.db2.gz RKDQCIRIRJEXKV-CHWSQXEVSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418846336 1073727427 /nfs/dbraw/zinc/72/74/27/1073727427.db2.gz RKDQCIRIRJEXKV-OLZOCXBDSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418846337 1073727661 /nfs/dbraw/zinc/72/76/61/1073727661.db2.gz RKDQCIRIRJEXKV-QWHCGFSZSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418846338 1073727293 /nfs/dbraw/zinc/72/72/93/1073727293.db2.gz RKDQCIRIRJEXKV-STQMWFEESA-N 1 0 382.486 -0.066 20 0 GBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000418847399 1073728191 /nfs/dbraw/zinc/72/81/91/1073728191.db2.gz VIOKCOXDSKAGFC-INIZCTEOSA-N 1 0 393.532 -0.212 20 0 GBADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000418847400 1073728591 /nfs/dbraw/zinc/72/85/91/1073728591.db2.gz VIOKCOXDSKAGFC-MRXNPFEDSA-N 1 0 393.532 -0.212 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000418847463 1073728676 /nfs/dbraw/zinc/72/86/76/1073728676.db2.gz JFAUXXKHSKLLNX-GDBMZVCRSA-N 1 0 378.473 -0.091 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)C ZINC000418847464 1073728453 /nfs/dbraw/zinc/72/84/53/1073728453.db2.gz JFAUXXKHSKLLNX-GOEBONIOSA-N 1 0 378.473 -0.091 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)C ZINC000418847465 1073728684 /nfs/dbraw/zinc/72/86/84/1073728684.db2.gz JFAUXXKHSKLLNX-HOCLYGCPSA-N 1 0 378.473 -0.091 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000418847466 1073728143 /nfs/dbraw/zinc/72/81/43/1073728143.db2.gz JFAUXXKHSKLLNX-ZBFHGGJFSA-N 1 0 378.473 -0.091 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418847846 1073727610 /nfs/dbraw/zinc/72/76/10/1073727610.db2.gz WOSRSRMDIUWEBV-CHWSQXEVSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418847847 1073727715 /nfs/dbraw/zinc/72/77/15/1073727715.db2.gz WOSRSRMDIUWEBV-OLZOCXBDSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418847848 1073727464 /nfs/dbraw/zinc/72/74/64/1073727464.db2.gz WOSRSRMDIUWEBV-QWHCGFSZSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000418847849 1073727239 /nfs/dbraw/zinc/72/72/39/1073727239.db2.gz WOSRSRMDIUWEBV-STQMWFEESA-N 1 0 382.486 -0.066 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000418848788 1073728610 /nfs/dbraw/zinc/72/86/10/1073728610.db2.gz NGNJVKQRHJXFNR-UHFFFAOYSA-N 1 0 388.534 -0.234 20 0 GBADRO CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)S(C)(=O)=O ZINC000418849011 530346952 /nfs/dbraw/zinc/34/69/52/530346952.db2.gz NSAHJYDNFNWKEB-AWEZNQCLSA-N 1 0 376.523 -0.202 20 0 GBADRO CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)S(C)(=O)=O ZINC000418849012 530346689 /nfs/dbraw/zinc/34/66/89/530346689.db2.gz NSAHJYDNFNWKEB-CQSZACIVSA-N 1 0 376.523 -0.202 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000418849347 530346872 /nfs/dbraw/zinc/34/68/72/530346872.db2.gz OKRKJDQKTNNTFX-GFCCVEGCSA-N 1 0 383.246 -0.145 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000418849354 530346903 /nfs/dbraw/zinc/34/69/03/530346903.db2.gz OKRKJDQKTNNTFX-LBPRGKRZSA-N 1 0 383.246 -0.145 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418849587 530073883 /nfs/dbraw/zinc/07/38/83/530073883.db2.gz OZIOXVFHVDQTIY-UHFFFAOYSA-N 1 0 385.262 -0.027 20 0 GBADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000418849842 1073727727 /nfs/dbraw/zinc/72/77/27/1073727727.db2.gz BJFYVBVNCMCIHX-PBHICJAKSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)c1 ZINC000418849843 1073728775 /nfs/dbraw/zinc/72/87/75/1073728775.db2.gz BJFYVBVNCMCIHX-RHSMWYFYSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)c1 ZINC000418849844 1073728132 /nfs/dbraw/zinc/72/81/32/1073728132.db2.gz BJFYVBVNCMCIHX-WMLDXEAASA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000418849845 1073728725 /nfs/dbraw/zinc/72/87/25/1073728725.db2.gz BJFYVBVNCMCIHX-YOEHRIQHSA-N 1 0 376.457 -0.034 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)S(C)(=O)=O ZINC000418850446 530346870 /nfs/dbraw/zinc/34/68/70/530346870.db2.gz QEAUASSNQLMAKW-CYBMUJFWSA-N 1 0 376.523 -0.331 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)S(C)(=O)=O ZINC000418850447 530346798 /nfs/dbraw/zinc/34/67/98/530346798.db2.gz QEAUASSNQLMAKW-ZDUSSCGKSA-N 1 0 376.523 -0.331 20 0 GBADRO CCN(CCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1)S(C)(=O)=O ZINC000418850450 530346862 /nfs/dbraw/zinc/34/68/62/530346862.db2.gz QFJQHLYBZOWEGQ-UHFFFAOYSA-N 1 0 376.523 -0.058 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000418851792 530346979 /nfs/dbraw/zinc/34/69/79/530346979.db2.gz SVPOTIZECCSVAM-UHFFFAOYSA-N 1 0 383.246 -0.273 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)S(C)(=O)=O ZINC000418853425 530347210 /nfs/dbraw/zinc/34/72/10/530347210.db2.gz XOZGXDWBLOKYMN-NEPJUHHUSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC000418853426 530347318 /nfs/dbraw/zinc/34/73/18/530347318.db2.gz XOZGXDWBLOKYMN-NWDGAFQWSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)S(C)(=O)=O ZINC000418853427 530347064 /nfs/dbraw/zinc/34/70/64/530347064.db2.gz XOZGXDWBLOKYMN-RYUDHWBXSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)S(C)(=O)=O ZINC000418853428 530347161 /nfs/dbraw/zinc/34/71/61/530347161.db2.gz XOZGXDWBLOKYMN-VXGBXAGGSA-N 1 0 378.495 -0.997 20 0 GBADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000418853956 1073728747 /nfs/dbraw/zinc/72/87/47/1073728747.db2.gz KHLHMFSUHRDHJC-PBHICJAKSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000418853960 1073728409 /nfs/dbraw/zinc/72/84/09/1073728409.db2.gz KHLHMFSUHRDHJC-RHSMWYFYSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000418853967 1073728439 /nfs/dbraw/zinc/72/84/39/1073728439.db2.gz KHLHMFSUHRDHJC-WMLDXEAASA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000418853968 1073728508 /nfs/dbraw/zinc/72/85/08/1073728508.db2.gz KHLHMFSUHRDHJC-YOEHRIQHSA-N 1 0 376.457 -0.115 20 0 GBADRO Cc1cccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000418854100 1072167651 /nfs/dbraw/zinc/16/76/51/1072167651.db2.gz AQZKOMOVUQZQPU-INIZCTEOSA-N 1 0 387.484 -0.281 20 0 GBADRO Cc1cccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000418854102 1072167415 /nfs/dbraw/zinc/16/74/15/1072167415.db2.gz AQZKOMOVUQZQPU-MRXNPFEDSA-N 1 0 387.484 -0.281 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000418854998 1073728564 /nfs/dbraw/zinc/72/85/64/1073728564.db2.gz UIVRYMJRMFRQPD-GDBMZVCRSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000418854999 1073728523 /nfs/dbraw/zinc/72/85/23/1073728523.db2.gz UIVRYMJRMFRQPD-GOEBONIOSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000418855000 1073728333 /nfs/dbraw/zinc/72/83/33/1073728333.db2.gz UIVRYMJRMFRQPD-HOCLYGCPSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000418855001 1073728780 /nfs/dbraw/zinc/72/87/80/1073728780.db2.gz UIVRYMJRMFRQPD-ZBFHGGJFSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418855857 1073728714 /nfs/dbraw/zinc/72/87/14/1073728714.db2.gz VTHBVQIEPDOSHA-INIZCTEOSA-N 1 0 377.489 -0.565 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418855858 1073728697 /nfs/dbraw/zinc/72/86/97/1073728697.db2.gz VTHBVQIEPDOSHA-MRXNPFEDSA-N 1 0 377.489 -0.565 20 0 GBADRO COc1cccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000418856196 1073728427 /nfs/dbraw/zinc/72/84/27/1073728427.db2.gz OOOOMNCNBTYJIZ-INIZCTEOSA-N 1 0 389.500 -0.198 20 0 GBADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000418856197 1073728602 /nfs/dbraw/zinc/72/86/02/1073728602.db2.gz OOOOMNCNBTYJIZ-MRXNPFEDSA-N 1 0 389.500 -0.198 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858219 1073728579 /nfs/dbraw/zinc/72/85/79/1073728579.db2.gz VGTASPADPRBWRA-BXUZGUMPSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858220 1073728619 /nfs/dbraw/zinc/72/86/19/1073728619.db2.gz VGTASPADPRBWRA-FZMZJTMJSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858221 1073728763 /nfs/dbraw/zinc/72/87/63/1073728763.db2.gz VGTASPADPRBWRA-RISCZKNCSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000418858222 1073728315 /nfs/dbraw/zinc/72/83/15/1073728315.db2.gz VGTASPADPRBWRA-SMDDNHRTSA-N 1 0 380.420 -0.099 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCC(=O)N2CCOCC2)C2CC3CC(C2)CC1C3 ZINC000418858719 1073729325 /nfs/dbraw/zinc/72/93/25/1073729325.db2.gz AIZYVAZGUIHXTN-UHFFFAOYSA-N 1 0 378.473 -0.769 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418862689 1073729379 /nfs/dbraw/zinc/72/93/79/1073729379.db2.gz AXSXDIPDHPEYDB-BFHYXJOUSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418862691 1073729767 /nfs/dbraw/zinc/72/97/67/1073729767.db2.gz AXSXDIPDHPEYDB-IHRRRGAJSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000418862693 1073729247 /nfs/dbraw/zinc/72/92/47/1073729247.db2.gz AXSXDIPDHPEYDB-MELADBBJSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000418862695 1073729677 /nfs/dbraw/zinc/72/96/77/1073729677.db2.gz AXSXDIPDHPEYDB-MJBXVCDLSA-N 1 0 378.477 -0.266 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000418864018 1073729414 /nfs/dbraw/zinc/72/94/14/1073729414.db2.gz HZKXPYDQNPLKJZ-LSDHHAIUSA-N 1 0 378.404 -0.946 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)C[C@H]1c1ccccc1F ZINC000418868607 1073729691 /nfs/dbraw/zinc/72/96/91/1073729691.db2.gz NQXQEKZWBZCQGE-DZGCQCFKSA-N 1 0 378.404 -0.946 20 0 GBADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000418869108 1073729446 /nfs/dbraw/zinc/72/94/46/1073729446.db2.gz OFLXKJYVWMVHGZ-INIZCTEOSA-N 1 0 376.457 -0.099 20 0 GBADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000418869109 1073729467 /nfs/dbraw/zinc/72/94/67/1073729467.db2.gz OFLXKJYVWMVHGZ-MRXNPFEDSA-N 1 0 376.457 -0.099 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418869470 1073729352 /nfs/dbraw/zinc/72/93/52/1073729352.db2.gz AMIHHPATUATGQC-INIZCTEOSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418869471 1073729374 /nfs/dbraw/zinc/72/93/74/1073729374.db2.gz AMIHHPATUATGQC-MRXNPFEDSA-N 1 0 379.505 -0.552 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@H]1C[NH3+] ZINC000418869505 1073729760 /nfs/dbraw/zinc/72/97/60/1073729760.db2.gz ASXTVQHEVGFODP-ILXRZTDVSA-N 1 0 390.488 -0.387 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@H]1C[NH3+] ZINC000418869506 1073730100 /nfs/dbraw/zinc/73/01/00/1073730100.db2.gz ASXTVQHEVGFODP-KFWWJZLASA-N 1 0 390.488 -0.387 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@@H]1C[NH3+] ZINC000418869507 1073730324 /nfs/dbraw/zinc/73/03/24/1073730324.db2.gz ASXTVQHEVGFODP-QLFBSQMISA-N 1 0 390.488 -0.387 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@@H]1C[NH3+] ZINC000418869508 1073730109 /nfs/dbraw/zinc/73/01/09/1073730109.db2.gz ASXTVQHEVGFODP-RBSFLKMASA-N 1 0 390.488 -0.387 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418869644 530347718 /nfs/dbraw/zinc/34/77/18/530347718.db2.gz SIWOEFBXNSEMGB-GFCCVEGCSA-N 1 0 399.289 -0.076 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418869645 530347775 /nfs/dbraw/zinc/34/77/75/530347775.db2.gz SIWOEFBXNSEMGB-LBPRGKRZSA-N 1 0 399.289 -0.076 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc2ccccc2c1 ZINC000418870530 1073730534 /nfs/dbraw/zinc/73/05/34/1073730534.db2.gz PMBFQYMAYVBUAB-KRWDZBQOSA-N 1 0 384.436 -0.069 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc2ccccc2c1 ZINC000418870531 1073730490 /nfs/dbraw/zinc/73/04/90/1073730490.db2.gz PMBFQYMAYVBUAB-QGZVFWFLSA-N 1 0 384.436 -0.069 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)C(C)C)CC1 ZINC000418871154 1073730555 /nfs/dbraw/zinc/73/05/55/1073730555.db2.gz TYDRJXTWOWRYOR-HNNXBMFYSA-N 1 0 388.534 -0.094 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)C(C)C)CC1 ZINC000418871155 1073730456 /nfs/dbraw/zinc/73/04/56/1073730456.db2.gz TYDRJXTWOWRYOR-OAHLLOKOSA-N 1 0 388.534 -0.094 20 0 GBADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000418873591 1073730565 /nfs/dbraw/zinc/73/05/65/1073730565.db2.gz UMGKQSCVSGONKE-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000418873593 1073730545 /nfs/dbraw/zinc/73/05/45/1073730545.db2.gz UMGKQSCVSGONKE-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418873797 530347505 /nfs/dbraw/zinc/34/75/05/530347505.db2.gz ACWZVBIJNUORCY-UHFFFAOYSA-N 1 0 376.866 -0.540 20 0 GBADRO CN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000418874909 1073730501 /nfs/dbraw/zinc/73/05/01/1073730501.db2.gz VQEBZCZCXAFLJZ-BYCMXARLSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1=O ZINC000418874910 1073730625 /nfs/dbraw/zinc/73/06/25/1073730625.db2.gz VQEBZCZCXAFLJZ-CQDKDKBSSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1=O ZINC000418874911 1073730587 /nfs/dbraw/zinc/73/05/87/1073730587.db2.gz VQEBZCZCXAFLJZ-TUKIKUTGSA-N 1 0 380.395 -0.127 20 0 GBADRO CN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000418874912 1073730318 /nfs/dbraw/zinc/73/03/18/1073730318.db2.gz VQEBZCZCXAFLJZ-UGFHNGPFSA-N 1 0 380.395 -0.127 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 ZINC000418875012 1073730443 /nfs/dbraw/zinc/73/04/43/1073730443.db2.gz JXPXBXFVBJHSAI-DLBZAZTESA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 ZINC000418875013 1073730084 /nfs/dbraw/zinc/73/00/84/1073730084.db2.gz JXPXBXFVBJHSAI-IAGOWNOFSA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 ZINC000418875014 1073730423 /nfs/dbraw/zinc/73/04/23/1073730423.db2.gz JXPXBXFVBJHSAI-IRXDYDNUSA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCNC(=O)C2CC2)cc1 ZINC000418875015 1073730576 /nfs/dbraw/zinc/73/05/76/1073730576.db2.gz JXPXBXFVBJHSAI-SJORKVTESA-N 1 0 388.468 -0.101 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC[C@H]1c1ccc(F)cc1 ZINC000418876394 1073731049 /nfs/dbraw/zinc/73/10/49/1073731049.db2.gz YVSXTIPQJOIDOT-JKSUJKDBSA-N 1 0 392.431 -0.556 20 0 GBADRO COc1cccc([C@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CCN2C2CC2)c1 ZINC000418877633 1073730608 /nfs/dbraw/zinc/73/06/08/1073730608.db2.gz JSULRLDPLHNLEV-MSOLQXFVSA-N 1 0 390.484 -0.131 20 0 GBADRO COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CCN2C2CC2)c1 ZINC000418877634 1073730481 /nfs/dbraw/zinc/73/04/81/1073730481.db2.gz JSULRLDPLHNLEV-QZTJIDSGSA-N 1 0 390.484 -0.131 20 0 GBADRO COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CCN2C2CC2)c1 ZINC000418877635 1073730205 /nfs/dbraw/zinc/73/02/05/1073730205.db2.gz JSULRLDPLHNLEV-ROUUACIJSA-N 1 0 390.484 -0.131 20 0 GBADRO COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CCN2C2CC2)c1 ZINC000418877638 1073730392 /nfs/dbraw/zinc/73/03/92/1073730392.db2.gz JSULRLDPLHNLEV-ZWKOTPCHSA-N 1 0 390.484 -0.131 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000418877721 1073730361 /nfs/dbraw/zinc/73/03/61/1073730361.db2.gz JZFMPIDDFKURLB-DLBZAZTESA-N 1 0 394.516 -0.022 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000418877722 1073730344 /nfs/dbraw/zinc/73/03/44/1073730344.db2.gz JZFMPIDDFKURLB-IAGOWNOFSA-N 1 0 394.516 -0.022 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000418877723 1073730411 /nfs/dbraw/zinc/73/04/11/1073730411.db2.gz JZFMPIDDFKURLB-IRXDYDNUSA-N 1 0 394.516 -0.022 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000418877724 1073730594 /nfs/dbraw/zinc/73/05/94/1073730594.db2.gz JZFMPIDDFKURLB-SJORKVTESA-N 1 0 394.516 -0.022 20 0 GBADRO COc1ccccc1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418877889 1073730632 /nfs/dbraw/zinc/73/06/32/1073730632.db2.gz PXAMUODYZGCUMF-HNNXBMFYSA-N 1 0 376.457 -0.333 20 0 GBADRO COc1ccccc1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418877891 1073730169 /nfs/dbraw/zinc/73/01/69/1073730169.db2.gz PXAMUODYZGCUMF-OAHLLOKOSA-N 1 0 376.457 -0.333 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418878234 1073731011 /nfs/dbraw/zinc/73/10/11/1073731011.db2.gz ABAAPHWHXIESDR-HOTGVXAUSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418878235 1073731314 /nfs/dbraw/zinc/73/13/14/1073731314.db2.gz ABAAPHWHXIESDR-HZPDHXFCSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418878236 1073731291 /nfs/dbraw/zinc/73/12/91/1073731291.db2.gz ABAAPHWHXIESDR-JKSUJKDBSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418878483 530347509 /nfs/dbraw/zinc/34/75/09/530347509.db2.gz AJVVJGVCQRNHRP-UHFFFAOYSA-N 1 0 380.829 -0.791 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418879107 530347596 /nfs/dbraw/zinc/34/75/96/530347596.db2.gz BLGRVVCZRABEDY-SECBINFHSA-N 1 0 394.856 -0.415 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418879112 530347433 /nfs/dbraw/zinc/34/74/33/530347433.db2.gz BLGRVVCZRABEDY-VIFPVBQESA-N 1 0 394.856 -0.415 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418879174 530347623 /nfs/dbraw/zinc/34/76/23/530347623.db2.gz BPKBXNKZMOWZEX-JTQLQIEISA-N 1 0 392.840 -0.648 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418879175 530347754 /nfs/dbraw/zinc/34/77/54/530347754.db2.gz BPKBXNKZMOWZEX-SNVBAGLBSA-N 1 0 392.840 -0.648 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879196 1073730662 /nfs/dbraw/zinc/73/06/62/1073730662.db2.gz BULSTMCBBOPASF-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879197 1073730521 /nfs/dbraw/zinc/73/05/21/1073730521.db2.gz BULSTMCBBOPASF-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879447 1073732217 /nfs/dbraw/zinc/73/22/17/1073732217.db2.gz CCJURKDPIILAFZ-CABCVRRESA-N 1 0 376.457 -0.103 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418879448 1073732282 /nfs/dbraw/zinc/73/22/82/1073732282.db2.gz CCJURKDPIILAFZ-HUUCEWRRSA-N 1 0 376.457 -0.103 20 0 GBADRO O=C(COc1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418880116 1073731454 /nfs/dbraw/zinc/73/14/54/1073731454.db2.gz DRHSCDYXQJBXKL-OWCLPIDISA-N 1 0 386.452 -0.540 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)C1 ZINC000418880315 1073730280 /nfs/dbraw/zinc/73/02/80/1073730280.db2.gz DZCYDSOFWWSGRH-JHJVBQTASA-N 1 0 390.431 -0.034 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)C1 ZINC000418880321 1073730240 /nfs/dbraw/zinc/73/02/40/1073730240.db2.gz DZCYDSOFWWSGRH-YNEHKIRRSA-N 1 0 390.431 -0.034 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418880427 1073732948 /nfs/dbraw/zinc/73/29/48/1073732948.db2.gz FGXYEGKJLNJHNF-BFHYXJOUSA-N 1 0 388.534 -0.285 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418880433 1073732932 /nfs/dbraw/zinc/73/29/32/1073732932.db2.gz FGXYEGKJLNJHNF-HZSPNIEDSA-N 1 0 388.534 -0.285 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418880434 1073732662 /nfs/dbraw/zinc/73/26/62/1073732662.db2.gz FGXYEGKJLNJHNF-MELADBBJSA-N 1 0 388.534 -0.285 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418880563 1073733179 /nfs/dbraw/zinc/73/31/79/1073733179.db2.gz FQKGVZVYKJILQW-KBPBESRZSA-N 1 0 388.534 -0.012 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418880566 1073732927 /nfs/dbraw/zinc/73/29/27/1073732927.db2.gz FQKGVZVYKJILQW-KGLIPLIRSA-N 1 0 388.534 -0.012 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418880567 1073733029 /nfs/dbraw/zinc/73/30/29/1073733029.db2.gz FQKGVZVYKJILQW-UONOGXRCSA-N 1 0 388.534 -0.012 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880869 1073732811 /nfs/dbraw/zinc/73/28/11/1073732811.db2.gz GBIAPMWGIPWBFW-GXTWGEPZSA-N 1 0 387.444 -0.450 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880870 1073733194 /nfs/dbraw/zinc/73/31/94/1073733194.db2.gz GBIAPMWGIPWBFW-JSGCOSHPSA-N 1 0 387.444 -0.450 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880871 1073732792 /nfs/dbraw/zinc/73/27/92/1073732792.db2.gz GBIAPMWGIPWBFW-OCCSQVGLSA-N 1 0 387.444 -0.450 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000418880872 1073733105 /nfs/dbraw/zinc/73/31/05/1073733105.db2.gz GBIAPMWGIPWBFW-TZMCWYRMSA-N 1 0 387.444 -0.450 20 0 GBADRO C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000418881019 1073731914 /nfs/dbraw/zinc/73/19/14/1073731914.db2.gz QMNYTBVRNODUAE-BRWVUGGUSA-N 1 0 394.516 -0.022 20 0 GBADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000418881020 1073732309 /nfs/dbraw/zinc/73/23/09/1073732309.db2.gz QMNYTBVRNODUAE-IKGGRYGDSA-N 1 0 394.516 -0.022 20 0 GBADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000418881021 1073732000 /nfs/dbraw/zinc/73/20/00/1073732000.db2.gz QMNYTBVRNODUAE-IXDOHACOSA-N 1 0 394.516 -0.022 20 0 GBADRO C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000418881023 1073732174 /nfs/dbraw/zinc/73/21/74/1073732174.db2.gz QMNYTBVRNODUAE-ZACQAIPSSA-N 1 0 394.516 -0.022 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418881810 1073732940 /nfs/dbraw/zinc/73/29/40/1073732940.db2.gz IIYPUCCZLKXYLP-GDBMZVCRSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418881811 1073732778 /nfs/dbraw/zinc/73/27/78/1073732778.db2.gz IIYPUCCZLKXYLP-GOEBONIOSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418881812 1073732910 /nfs/dbraw/zinc/73/29/10/1073732910.db2.gz IIYPUCCZLKXYLP-HOCLYGCPSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418881813 1073733064 /nfs/dbraw/zinc/73/30/64/1073733064.db2.gz IIYPUCCZLKXYLP-ZBFHGGJFSA-N 1 0 376.457 -0.118 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418882264 1073733010 /nfs/dbraw/zinc/73/30/10/1073733010.db2.gz JHDALUOPMOHWJU-BFYDXBDKSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418882265 1073732688 /nfs/dbraw/zinc/73/26/88/1073732688.db2.gz JHDALUOPMOHWJU-HLLBOEOZSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418882266 1073732748 /nfs/dbraw/zinc/73/27/48/1073732748.db2.gz JHDALUOPMOHWJU-INMHGKMJSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418882267 1073732716 /nfs/dbraw/zinc/73/27/16/1073732716.db2.gz JHDALUOPMOHWJU-VYDXJSESSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000418882772 1073732914 /nfs/dbraw/zinc/73/29/14/1073732914.db2.gz ASYQSDIUJAMSIV-KBPBESRZSA-N 1 0 393.488 -0.199 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000418882773 1073733096 /nfs/dbraw/zinc/73/30/96/1073733096.db2.gz ASYQSDIUJAMSIV-KGLIPLIRSA-N 1 0 393.488 -0.199 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C[NH3+] ZINC000418882774 1073733002 /nfs/dbraw/zinc/73/30/02/1073733002.db2.gz ASYQSDIUJAMSIV-UONOGXRCSA-N 1 0 393.488 -0.199 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C[NH3+] ZINC000418882783 1073732762 /nfs/dbraw/zinc/73/27/62/1073732762.db2.gz ASYQSDIUJAMSIV-ZIAGYGMSSA-N 1 0 393.488 -0.199 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418882949 1073732900 /nfs/dbraw/zinc/73/29/00/1073732900.db2.gz KUAKWKFISXFNIC-CVEARBPZSA-N 1 0 396.513 -0.192 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418882959 1073732959 /nfs/dbraw/zinc/73/29/59/1073732959.db2.gz KUAKWKFISXFNIC-HOTGVXAUSA-N 1 0 396.513 -0.192 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418882964 1073733019 /nfs/dbraw/zinc/73/30/19/1073733019.db2.gz KUAKWKFISXFNIC-HZPDHXFCSA-N 1 0 396.513 -0.192 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418882971 1073732835 /nfs/dbraw/zinc/73/28/35/1073732835.db2.gz KUAKWKFISXFNIC-JKSUJKDBSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000418883053 1073732863 /nfs/dbraw/zinc/73/28/63/1073732863.db2.gz KZCKSMXUUQNDOQ-BZUAXINKSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000418883059 1073733073 /nfs/dbraw/zinc/73/30/73/1073733073.db2.gz KZCKSMXUUQNDOQ-OAGGEKHMSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000418883060 1073732847 /nfs/dbraw/zinc/73/28/47/1073732847.db2.gz KZCKSMXUUQNDOQ-OWCLPIDISA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000418883061 1073732975 /nfs/dbraw/zinc/73/29/75/1073732975.db2.gz KZCKSMXUUQNDOQ-XHSDSOJGSA-N 1 0 388.468 -0.009 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418883081 1073733087 /nfs/dbraw/zinc/73/30/87/1073733087.db2.gz LBBFOBMHGYCMRJ-HNNXBMFYSA-N 1 0 376.457 -0.102 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418883088 1073732878 /nfs/dbraw/zinc/73/28/78/1073732878.db2.gz LBBFOBMHGYCMRJ-OAHLLOKOSA-N 1 0 376.457 -0.102 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883204 1073732826 /nfs/dbraw/zinc/73/28/26/1073732826.db2.gz BRXLKYXNBMVPTB-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883205 1073733166 /nfs/dbraw/zinc/73/31/66/1073733166.db2.gz BRXLKYXNBMVPTB-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883214 1073732873 /nfs/dbraw/zinc/73/28/73/1073732873.db2.gz BTZANINBWCGYPH-CHWSQXEVSA-N 1 0 379.461 -0.529 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883215 1073733122 /nfs/dbraw/zinc/73/31/22/1073733122.db2.gz BTZANINBWCGYPH-OLZOCXBDSA-N 1 0 379.461 -0.529 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883216 1073733036 /nfs/dbraw/zinc/73/30/36/1073733036.db2.gz BTZANINBWCGYPH-QWHCGFSZSA-N 1 0 379.461 -0.529 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418883217 1073732887 /nfs/dbraw/zinc/73/28/87/1073732887.db2.gz BTZANINBWCGYPH-STQMWFEESA-N 1 0 379.461 -0.529 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC[NH2+]1 ZINC000418883436 1073734285 /nfs/dbraw/zinc/73/42/85/1073734285.db2.gz LOGNLSWYAVYMFG-HNNXBMFYSA-N 1 0 388.468 -0.007 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC[NH2+]1 ZINC000418883437 1073733738 /nfs/dbraw/zinc/73/37/38/1073733738.db2.gz LOGNLSWYAVYMFG-OAHLLOKOSA-N 1 0 388.468 -0.007 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]1 ZINC000418883553 1073733960 /nfs/dbraw/zinc/73/39/60/1073733960.db2.gz CORLZVLVJXIOOS-UHFFFAOYSA-N 1 0 379.461 -0.432 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418883818 1073734009 /nfs/dbraw/zinc/73/40/09/1073734009.db2.gz CXSWEBDJEANHMC-CYBMUJFWSA-N 1 0 379.461 -0.384 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418883823 1073734041 /nfs/dbraw/zinc/73/40/41/1073734041.db2.gz CXSWEBDJEANHMC-ZDUSSCGKSA-N 1 0 379.461 -0.384 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1C[NH3+] ZINC000418884041 1073733636 /nfs/dbraw/zinc/73/36/36/1073733636.db2.gz DXYIBMYSQPYYKL-KBPBESRZSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1C[NH3+] ZINC000418884042 1073732743 /nfs/dbraw/zinc/73/27/43/1073732743.db2.gz DXYIBMYSQPYYKL-KGLIPLIRSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C[NH3+] ZINC000418884043 1073732677 /nfs/dbraw/zinc/73/26/77/1073732677.db2.gz DXYIBMYSQPYYKL-UONOGXRCSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C[NH3+] ZINC000418884044 1073733792 /nfs/dbraw/zinc/73/37/92/1073733792.db2.gz DXYIBMYSQPYYKL-ZIAGYGMSSA-N 1 0 393.488 -0.057 20 0 GBADRO CC(C)(O)C(C)(C)CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418884072 1073734236 /nfs/dbraw/zinc/73/42/36/1073734236.db2.gz FAPWZDIKAFLFEG-LLVKDONJSA-N 1 0 382.427 -0.148 20 0 GBADRO CC(C)(O)C(C)(C)CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418884073 1073734154 /nfs/dbraw/zinc/73/41/54/1073734154.db2.gz FAPWZDIKAFLFEG-NSHDSACASA-N 1 0 382.427 -0.148 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418884078 530347639 /nfs/dbraw/zinc/34/76/39/530347639.db2.gz MIFXXXOUKDWSRZ-JTQLQIEISA-N 1 0 392.840 -0.567 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418884079 530347646 /nfs/dbraw/zinc/34/76/46/530347646.db2.gz MIFXXXOUKDWSRZ-SNVBAGLBSA-N 1 0 392.840 -0.567 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418884180 530347745 /nfs/dbraw/zinc/34/77/45/530347745.db2.gz NBDAJHOOOQGCJS-UHFFFAOYSA-N 1 0 394.856 -0.401 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418884292 1073732705 /nfs/dbraw/zinc/73/27/05/1073732705.db2.gz FDCPUTXXXBTJSH-CYBMUJFWSA-N 1 0 381.477 -0.153 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418884293 1073732989 /nfs/dbraw/zinc/73/29/89/1073732989.db2.gz FDCPUTXXXBTJSH-ZDUSSCGKSA-N 1 0 381.477 -0.153 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418884500 530347758 /nfs/dbraw/zinc/34/77/58/530347758.db2.gz NHSNTPRQBKEDNF-LLVKDONJSA-N 1 0 390.209 -0.083 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418884505 530347407 /nfs/dbraw/zinc/34/74/07/530347407.db2.gz NHSNTPRQBKEDNF-NSHDSACASA-N 1 0 390.209 -0.083 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418884535 530347697 /nfs/dbraw/zinc/34/76/97/530347697.db2.gz NKWSRNAHMYBICO-UHFFFAOYSA-N 1 0 380.829 -0.709 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418884726 1073731064 /nfs/dbraw/zinc/73/10/64/1073731064.db2.gz NYAZMKIURGYHJC-AHDPXTMNSA-N 1 0 386.518 -0.594 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418884728 1073731073 /nfs/dbraw/zinc/73/10/73/1073731073.db2.gz NYAZMKIURGYHJC-LXFSFDBISA-N 1 0 386.518 -0.594 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418884730 1073730972 /nfs/dbraw/zinc/73/09/72/1073730972.db2.gz NYAZMKIURGYHJC-RMEBNNNOSA-N 1 0 386.518 -0.594 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418884893 1073731252 /nfs/dbraw/zinc/73/12/52/1073731252.db2.gz NYAZMKIURGYHJC-YTFOTSKYSA-N 1 0 386.518 -0.594 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418884903 530347530 /nfs/dbraw/zinc/34/75/30/530347530.db2.gz NZTZOYFUXFHGJI-SECBINFHSA-N 1 0 394.856 -0.321 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418884904 530347751 /nfs/dbraw/zinc/34/77/51/530347751.db2.gz NZTZOYFUXFHGJI-VIFPVBQESA-N 1 0 394.856 -0.321 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418884970 1073731354 /nfs/dbraw/zinc/73/13/54/1073731354.db2.gz OHIKYQJTFXBCPQ-CABCVRRESA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418884977 1073731422 /nfs/dbraw/zinc/73/14/22/1073731422.db2.gz OHIKYQJTFXBCPQ-GJZGRUSLSA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000418884979 1073731240 /nfs/dbraw/zinc/73/12/40/1073731240.db2.gz OHIKYQJTFXBCPQ-HUUCEWRRSA-N 1 0 376.457 -0.246 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885526 1073731177 /nfs/dbraw/zinc/73/11/77/1073731177.db2.gz YUELXRYAZDYTID-HNNXBMFYSA-N 1 0 398.410 -0.648 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000418885527 1073731201 /nfs/dbraw/zinc/73/12/01/1073731201.db2.gz YUELXRYAZDYTID-OAHLLOKOSA-N 1 0 398.410 -0.648 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000418885728 1073731429 /nfs/dbraw/zinc/73/14/29/1073731429.db2.gz PVLFWWAQJYCGKD-BZUAXINKSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000418885729 1073731259 /nfs/dbraw/zinc/73/12/59/1073731259.db2.gz PVLFWWAQJYCGKD-OAGGEKHMSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000418885730 1073731123 /nfs/dbraw/zinc/73/11/23/1073731123.db2.gz PVLFWWAQJYCGKD-OWCLPIDISA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000418885731 1073730932 /nfs/dbraw/zinc/73/09/32/1073730932.db2.gz PVLFWWAQJYCGKD-PMPSAXMXSA-N 1 0 388.468 -0.009 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418886143 1073731139 /nfs/dbraw/zinc/73/11/39/1073731139.db2.gz KEUQCTRWVDTPNX-AWEZNQCLSA-N 1 0 393.488 -0.042 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418886147 1073731467 /nfs/dbraw/zinc/73/14/67/1073731467.db2.gz KEUQCTRWVDTPNX-CQSZACIVSA-N 1 0 393.488 -0.042 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418886210 530347569 /nfs/dbraw/zinc/34/75/69/530347569.db2.gz BCIYYEDZRSMFKJ-UHFFFAOYSA-N 1 0 390.893 -0.150 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418886319 530347515 /nfs/dbraw/zinc/34/75/15/530347515.db2.gz BHZOWOMVZIDMQK-SECBINFHSA-N 1 0 378.401 -0.930 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418886327 530347550 /nfs/dbraw/zinc/34/75/50/530347550.db2.gz BHZOWOMVZIDMQK-VIFPVBQESA-N 1 0 378.401 -0.930 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418886407 530347733 /nfs/dbraw/zinc/34/77/33/530347733.db2.gz BMBHXZIURQOPJK-SECBINFHSA-N 1 0 378.401 -0.835 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418886408 530347767 /nfs/dbraw/zinc/34/77/67/530347767.db2.gz BMBHXZIURQOPJK-VIFPVBQESA-N 1 0 378.401 -0.835 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000418886418 1073730959 /nfs/dbraw/zinc/73/09/59/1073730959.db2.gz BMUUDYVHXFALQE-AEGPPILISA-N 1 0 389.456 -0.078 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000418886423 1073731366 /nfs/dbraw/zinc/73/13/66/1073731366.db2.gz BMUUDYVHXFALQE-CFVMTHIKSA-N 1 0 389.456 -0.078 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000418886425 1073732265 /nfs/dbraw/zinc/73/22/65/1073732265.db2.gz BMUUDYVHXFALQE-NWANDNLSSA-N 1 0 389.456 -0.078 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000418886427 1073732275 /nfs/dbraw/zinc/73/22/75/1073732275.db2.gz BMUUDYVHXFALQE-QEJZJMRPSA-N 1 0 389.456 -0.078 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418886543 530347481 /nfs/dbraw/zinc/34/74/81/530347481.db2.gz RFTMTSFNOXWFSG-SECBINFHSA-N 1 0 394.856 -0.273 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418886544 530347599 /nfs/dbraw/zinc/34/75/99/530347599.db2.gz RFTMTSFNOXWFSG-VIFPVBQESA-N 1 0 394.856 -0.273 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000418886790 1073730950 /nfs/dbraw/zinc/73/09/50/1073730950.db2.gz BXCGNNINESSKBZ-IJLUTSLNSA-N 1 0 376.404 -0.424 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000418886795 1073731003 /nfs/dbraw/zinc/73/10/03/1073731003.db2.gz BXCGNNINESSKBZ-QJPTWQEYSA-N 1 0 376.404 -0.424 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418886839 530347680 /nfs/dbraw/zinc/34/76/80/530347680.db2.gz CAYHJHQHNYSUSS-UHFFFAOYSA-N 1 0 394.856 -0.271 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418887086 530347444 /nfs/dbraw/zinc/34/74/44/530347444.db2.gz CHVBHMQIZKHBLR-JTQLQIEISA-N 1 0 392.840 -0.648 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418887088 530347653 /nfs/dbraw/zinc/34/76/53/530347653.db2.gz CHVBHMQIZKHBLR-SNVBAGLBSA-N 1 0 392.840 -0.648 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418887305 1073731117 /nfs/dbraw/zinc/73/11/17/1073731117.db2.gz MPGPAMZUSJZHSJ-KBPBESRZSA-N 1 0 393.488 -0.009 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418887308 1073731034 /nfs/dbraw/zinc/73/10/34/1073731034.db2.gz MPGPAMZUSJZHSJ-KGLIPLIRSA-N 1 0 393.488 -0.009 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418887309 1073731208 /nfs/dbraw/zinc/73/12/08/1073731208.db2.gz MPGPAMZUSJZHSJ-UONOGXRCSA-N 1 0 393.488 -0.009 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418887311 1073731419 /nfs/dbraw/zinc/73/14/19/1073731419.db2.gz MPGPAMZUSJZHSJ-ZIAGYGMSSA-N 1 0 393.488 -0.009 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418887392 1073732091 /nfs/dbraw/zinc/73/20/91/1073732091.db2.gz DAXPCEFJKCLPFW-UHFFFAOYSA-N 1 0 392.428 -0.573 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418887445 530347632 /nfs/dbraw/zinc/34/76/32/530347632.db2.gz DGXPSLOKGGDZAG-UHFFFAOYSA-N 1 0 390.893 -0.022 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000418887522 1073731890 /nfs/dbraw/zinc/73/18/90/1073731890.db2.gz BFWKEOQXBFOISQ-KBPBESRZSA-N 1 0 382.486 -0.320 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000418887526 1073732203 /nfs/dbraw/zinc/73/22/03/1073732203.db2.gz BFWKEOQXBFOISQ-KGLIPLIRSA-N 1 0 382.486 -0.320 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000418887528 1073732261 /nfs/dbraw/zinc/73/22/61/1073732261.db2.gz BFWKEOQXBFOISQ-UONOGXRCSA-N 1 0 382.486 -0.320 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000418887530 1073732162 /nfs/dbraw/zinc/73/21/62/1073732162.db2.gz BFWKEOQXBFOISQ-ZIAGYGMSSA-N 1 0 382.486 -0.320 20 0 GBADRO O=C(COc1ccccc1)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418887611 1073732106 /nfs/dbraw/zinc/73/21/06/1073732106.db2.gz SIZDMGBBSPQGBV-INMHGKMJSA-N 1 0 386.452 -0.397 20 0 GBADRO O=C(COc1ccccc1)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418887612 1073732296 /nfs/dbraw/zinc/73/22/96/1073732296.db2.gz SIZDMGBBSPQGBV-VYDXJSESSA-N 1 0 386.452 -0.397 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418887638 1073732054 /nfs/dbraw/zinc/73/20/54/1073732054.db2.gz BMEMGFLLIFLZKR-KBPBESRZSA-N 1 0 384.502 -0.169 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418887640 1073731936 /nfs/dbraw/zinc/73/19/36/1073731936.db2.gz BMEMGFLLIFLZKR-KGLIPLIRSA-N 1 0 384.502 -0.169 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418887641 1073732131 /nfs/dbraw/zinc/73/21/31/1073732131.db2.gz BMEMGFLLIFLZKR-UONOGXRCSA-N 1 0 384.502 -0.169 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418887642 1073731962 /nfs/dbraw/zinc/73/19/62/1073731962.db2.gz BMEMGFLLIFLZKR-ZIAGYGMSSA-N 1 0 384.502 -0.169 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418887811 1073731947 /nfs/dbraw/zinc/73/19/47/1073731947.db2.gz NRUSRAHWMMBZKI-UHFFFAOYSA-N 1 0 381.477 -0.009 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418887834 530347786 /nfs/dbraw/zinc/34/77/86/530347786.db2.gz DVHHZLLVCVRMPF-UHFFFAOYSA-N 1 0 376.866 -0.410 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000418887870 1073732194 /nfs/dbraw/zinc/73/21/94/1073732194.db2.gz DZUMMRIGKPENRP-GOSISDBHSA-N 1 0 397.479 -0.273 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000418887871 1073732187 /nfs/dbraw/zinc/73/21/87/1073732187.db2.gz DZUMMRIGKPENRP-SFHVURJKSA-N 1 0 397.479 -0.273 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCC[NH2+]C1 ZINC000418887946 1073732270 /nfs/dbraw/zinc/73/22/70/1073732270.db2.gz OATPDGUWUZIAIL-GOSISDBHSA-N 1 0 393.488 -0.137 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCC[NH2+]C1 ZINC000418887947 1073732199 /nfs/dbraw/zinc/73/21/99/1073732199.db2.gz OATPDGUWUZIAIL-SFHVURJKSA-N 1 0 393.488 -0.137 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000418888195 530347780 /nfs/dbraw/zinc/34/77/80/530347780.db2.gz SYYFLYVTGXYDLB-UHFFFAOYSA-N 1 0 392.840 -0.695 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C1CCCC1 ZINC000418888332 1073732233 /nfs/dbraw/zinc/73/22/33/1073732233.db2.gz OJEAHXBHFXLWSI-AWEZNQCLSA-N 1 0 393.488 -0.009 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C1CCCC1 ZINC000418888334 1073732229 /nfs/dbraw/zinc/73/22/29/1073732229.db2.gz OJEAHXBHFXLWSI-CQSZACIVSA-N 1 0 393.488 -0.009 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418888365 530347723 /nfs/dbraw/zinc/34/77/23/530347723.db2.gz FUKBKMJYBBESTB-SECBINFHSA-N 1 0 394.856 -0.273 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418888367 530347790 /nfs/dbraw/zinc/34/77/90/530347790.db2.gz FUKBKMJYBBESTB-VIFPVBQESA-N 1 0 394.856 -0.273 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418888465 530347449 /nfs/dbraw/zinc/34/74/49/530347449.db2.gz FZXVWDSWCZFRDK-JTQLQIEISA-N 1 0 376.866 -0.412 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418888466 530347692 /nfs/dbraw/zinc/34/76/92/530347692.db2.gz FZXVWDSWCZFRDK-SNVBAGLBSA-N 1 0 376.866 -0.412 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000418888476 1073732251 /nfs/dbraw/zinc/73/22/51/1073732251.db2.gz GECPZUZGYZSQMU-GDBMZVCRSA-N 1 0 376.457 -0.356 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000418888477 1073732196 /nfs/dbraw/zinc/73/21/96/1073732196.db2.gz GECPZUZGYZSQMU-GOEBONIOSA-N 1 0 376.457 -0.356 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000418888478 1073732237 /nfs/dbraw/zinc/73/22/37/1073732237.db2.gz GECPZUZGYZSQMU-HOCLYGCPSA-N 1 0 376.457 -0.356 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000418888479 1073732183 /nfs/dbraw/zinc/73/21/83/1073732183.db2.gz GECPZUZGYZSQMU-ZBFHGGJFSA-N 1 0 376.457 -0.356 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418888604 1073732115 /nfs/dbraw/zinc/73/21/15/1073732115.db2.gz GRAPUTLWYBCERW-JTQLQIEISA-N 1 0 390.412 -0.820 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418888605 1073732244 /nfs/dbraw/zinc/73/22/44/1073732244.db2.gz GRAPUTLWYBCERW-SNVBAGLBSA-N 1 0 390.412 -0.820 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418889022 530347465 /nfs/dbraw/zinc/34/74/65/530347465.db2.gz HBMJTPXUOLDHCR-UHFFFAOYSA-N 1 0 378.401 -0.915 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418889023 530347420 /nfs/dbraw/zinc/34/74/20/530347420.db2.gz HBVXXEYUPCNPFS-SECBINFHSA-N 1 0 378.401 -0.787 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418889024 530347737 /nfs/dbraw/zinc/34/77/37/530347737.db2.gz HBVXXEYUPCNPFS-VIFPVBQESA-N 1 0 378.401 -0.787 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418889030 530348166 /nfs/dbraw/zinc/34/81/66/530348166.db2.gz HCKJYXWBPKOSPT-UHFFFAOYSA-N 1 0 378.401 -0.787 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)[NH2+]1 ZINC000418889128 1073732166 /nfs/dbraw/zinc/73/21/66/1073732166.db2.gz PRVRUVQYCOLLPE-CHWSQXEVSA-N 1 0 379.461 -0.434 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)[NH2+]1 ZINC000418889129 1073732021 /nfs/dbraw/zinc/73/20/21/1073732021.db2.gz PRVRUVQYCOLLPE-STQMWFEESA-N 1 0 379.461 -0.434 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418889234 1073732285 /nfs/dbraw/zinc/73/22/85/1073732285.db2.gz UWBLOVVXZBSJIA-KKUMJFAQSA-N 1 0 388.534 -0.156 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418889235 1073732241 /nfs/dbraw/zinc/73/22/41/1073732241.db2.gz UWBLOVVXZBSJIA-RRFJBIMHSA-N 1 0 388.534 -0.156 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418889236 1073732225 /nfs/dbraw/zinc/73/22/25/1073732225.db2.gz UWBLOVVXZBSJIA-SOUVJXGZSA-N 1 0 388.534 -0.156 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418889237 1073731868 /nfs/dbraw/zinc/73/18/68/1073731868.db2.gz UWBLOVVXZBSJIA-ZNMIVQPWSA-N 1 0 388.534 -0.156 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)C(=O)N1CC[NH2+]CC1 ZINC000418889592 530348055 /nfs/dbraw/zinc/34/80/55/530348055.db2.gz IDOHFZSQVRTOFP-UHFFFAOYSA-N 1 0 392.840 -0.695 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418890280 530347954 /nfs/dbraw/zinc/34/79/54/530347954.db2.gz WDRZGCNNHQHWEF-UHFFFAOYSA-N 1 0 394.856 -0.401 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCC[NH2+]CC1 ZINC000418890435 1073735869 /nfs/dbraw/zinc/73/58/69/1073735869.db2.gz JXDCFCXLDFAFKY-UHFFFAOYSA-N 1 0 390.412 -0.819 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418890445 530348168 /nfs/dbraw/zinc/34/81/68/530348168.db2.gz JYBQADZXNAFUDE-SECBINFHSA-N 1 0 378.401 -0.917 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418890446 530348118 /nfs/dbraw/zinc/34/81/18/530348118.db2.gz JYBQADZXNAFUDE-VIFPVBQESA-N 1 0 378.401 -0.917 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418890518 1073735777 /nfs/dbraw/zinc/73/57/77/1073735777.db2.gz RTLDOKICUXOXFV-CYBMUJFWSA-N 1 0 381.477 -0.009 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418890519 1073735860 /nfs/dbraw/zinc/73/58/60/1073735860.db2.gz RTLDOKICUXOXFV-ZDUSSCGKSA-N 1 0 381.477 -0.009 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418890547 1073735816 /nfs/dbraw/zinc/73/58/16/1073735816.db2.gz RXTWJTCJDFLSRU-OKILXGFUSA-N 1 0 391.472 -0.290 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418890607 1073735724 /nfs/dbraw/zinc/73/57/24/1073735724.db2.gz KHMLZMOBHYEHEH-UHFFFAOYSA-N 1 0 392.428 -0.525 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418891118 530347428 /nfs/dbraw/zinc/34/74/28/530347428.db2.gz LHMPTANYYBVHBU-UHFFFAOYSA-N 1 0 380.829 -0.661 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418891154 530347674 /nfs/dbraw/zinc/34/76/74/530347674.db2.gz LJYGLHVTALJVCQ-UHFFFAOYSA-N 1 0 376.866 -0.458 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418891191 1073734812 /nfs/dbraw/zinc/73/48/12/1073734812.db2.gz WYTFUKFSPXBWOA-QNWHQSFQSA-N 1 0 390.506 -0.950 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418891192 1073734694 /nfs/dbraw/zinc/73/46/94/1073734694.db2.gz WYTFUKFSPXBWOA-UMSGYPCISA-N 1 0 390.506 -0.950 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418891193 1073734659 /nfs/dbraw/zinc/73/46/59/1073734659.db2.gz WYTFUKFSPXBWOA-WUHRBBMRSA-N 1 0 390.506 -0.950 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418891194 1073734669 /nfs/dbraw/zinc/73/46/69/1073734669.db2.gz WYTFUKFSPXBWOA-ZDEQEGDKSA-N 1 0 390.506 -0.950 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418891585 530347485 /nfs/dbraw/zinc/34/74/85/530347485.db2.gz XPHXXNIILZVAKM-UHFFFAOYSA-N 1 0 394.856 -0.273 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418891640 1073735533 /nfs/dbraw/zinc/73/55/33/1073735533.db2.gz XXNRLRHHENCVPQ-KKUMJFAQSA-N 1 0 382.486 -0.363 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418891641 1073735466 /nfs/dbraw/zinc/73/54/66/1073735466.db2.gz XXNRLRHHENCVPQ-RRFJBIMHSA-N 1 0 382.486 -0.363 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418891642 1073735745 /nfs/dbraw/zinc/73/57/45/1073735745.db2.gz XXNRLRHHENCVPQ-SOUVJXGZSA-N 1 0 382.486 -0.363 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418891643 1073736036 /nfs/dbraw/zinc/73/60/36/1073736036.db2.gz XXNRLRHHENCVPQ-ZNMIVQPWSA-N 1 0 382.486 -0.363 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418891734 1073736019 /nfs/dbraw/zinc/73/60/19/1073736019.db2.gz MHECSGCCBDAXMD-JTQLQIEISA-N 1 0 390.412 -0.820 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418891735 1073735616 /nfs/dbraw/zinc/73/56/16/1073735616.db2.gz MHECSGCCBDAXMD-SNVBAGLBSA-N 1 0 390.412 -0.820 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1cn2ccccc2n1 ZINC000418891889 1073735771 /nfs/dbraw/zinc/73/57/71/1073735771.db2.gz FHEVUMXHRMVPOI-HNNXBMFYSA-N 1 0 386.456 -0.203 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCc1cn2ccccc2n1 ZINC000418891896 1073736009 /nfs/dbraw/zinc/73/60/09/1073736009.db2.gz FHEVUMXHRMVPOI-OAHLLOKOSA-N 1 0 386.456 -0.203 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418891972 530347996 /nfs/dbraw/zinc/34/79/96/530347996.db2.gz YCCKFQYXMBFDTJ-UHFFFAOYSA-N 1 0 380.829 -0.661 20 0 GBADRO CN(C(=O)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418891986 1073736004 /nfs/dbraw/zinc/73/60/04/1073736004.db2.gz MUYAFNQSKYZHHQ-IKGGRYGDSA-N 1 0 384.436 -0.503 20 0 GBADRO CN(C(=O)C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418891988 1073735863 /nfs/dbraw/zinc/73/58/63/1073735863.db2.gz MUYAFNQSKYZHHQ-ULQDDVLXSA-N 1 0 384.436 -0.503 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892081 530348018 /nfs/dbraw/zinc/34/80/18/530348018.db2.gz YGKYWWGRKRCJOV-BFHYXJOUSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418892096 530348001 /nfs/dbraw/zinc/34/80/01/530348001.db2.gz YGKYWWGRKRCJOV-MCIONIFRSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000418892098 530347895 /nfs/dbraw/zinc/34/78/95/530347895.db2.gz YGKYWWGRKRCJOV-MGPQQGTHSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000418892099 530348072 /nfs/dbraw/zinc/34/80/72/530348072.db2.gz YGKYWWGRKRCJOV-MJBXVCDLSA-N 1 0 376.523 -0.348 20 0 GBADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418892239 530347926 /nfs/dbraw/zinc/34/79/26/530347926.db2.gz NLGWKAJHPFFOGB-LLVKDONJSA-N 1 0 388.877 -0.397 20 0 GBADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418892244 530347862 /nfs/dbraw/zinc/34/78/62/530347862.db2.gz NLGWKAJHPFFOGB-NSHDSACASA-N 1 0 388.877 -0.397 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418892246 530348186 /nfs/dbraw/zinc/34/81/86/530348186.db2.gz YMAIPMVQHUHJKC-SECBINFHSA-N 1 0 394.856 -0.402 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418892247 530347987 /nfs/dbraw/zinc/34/79/87/530347987.db2.gz YMAIPMVQHUHJKC-VIFPVBQESA-N 1 0 394.856 -0.402 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418892453 530348188 /nfs/dbraw/zinc/34/81/88/530348188.db2.gz NXMCAGSNXTTXCV-UHFFFAOYSA-N 1 0 394.856 -0.273 20 0 GBADRO O=C(NCc1cn2ccccc2n1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418892696 1073735396 /nfs/dbraw/zinc/73/53/96/1073735396.db2.gz GCLSNIVJHOARMO-HNNXBMFYSA-N 1 0 398.467 -0.379 20 0 GBADRO O=C(NCc1cn2ccccc2n1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418892697 1073735956 /nfs/dbraw/zinc/73/59/56/1073735956.db2.gz GCLSNIVJHOARMO-OAHLLOKOSA-N 1 0 398.467 -0.379 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418892849 530348195 /nfs/dbraw/zinc/34/81/95/530348195.db2.gz OQFFHRNFQZABGW-MRVPVSSYSA-N 1 0 380.829 -0.663 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418892850 530348160 /nfs/dbraw/zinc/34/81/60/530348160.db2.gz OQFFHRNFQZABGW-QMMMGPOBSA-N 1 0 380.829 -0.663 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418893257 530348181 /nfs/dbraw/zinc/34/81/81/530348181.db2.gz ZRFLQBIJRUBUOD-MRVPVSSYSA-N 1 0 380.829 -0.663 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418893259 530347911 /nfs/dbraw/zinc/34/79/11/530347911.db2.gz ZRFLQBIJRUBUOD-QMMMGPOBSA-N 1 0 380.829 -0.663 20 0 GBADRO CCCN(C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC[NH2+]C1 ZINC000418893291 1073735595 /nfs/dbraw/zinc/73/55/95/1073735595.db2.gz XJLZLGCAJDLZMR-AWEZNQCLSA-N 1 0 393.488 -0.042 20 0 GBADRO CCCN(C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000418893294 1073735806 /nfs/dbraw/zinc/73/58/06/1073735806.db2.gz XJLZLGCAJDLZMR-CQSZACIVSA-N 1 0 393.488 -0.042 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418893411 1073734104 /nfs/dbraw/zinc/73/41/04/1073734104.db2.gz PMWVCNOFYXKPAW-LLVKDONJSA-N 1 0 390.412 -0.773 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418893412 1073733607 /nfs/dbraw/zinc/73/36/07/1073733607.db2.gz PMWVCNOFYXKPAW-NSHDSACASA-N 1 0 390.412 -0.773 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C[NH2+]1 ZINC000418893488 1073733591 /nfs/dbraw/zinc/73/35/91/1073733591.db2.gz XLPXVMLLBYDFEZ-CHWSQXEVSA-N 1 0 379.461 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000418893489 1073733717 /nfs/dbraw/zinc/73/37/17/1073733717.db2.gz XLPXVMLLBYDFEZ-OLZOCXBDSA-N 1 0 379.461 -0.434 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000418893490 1073733980 /nfs/dbraw/zinc/73/39/80/1073733980.db2.gz XLPXVMLLBYDFEZ-QWHCGFSZSA-N 1 0 379.461 -0.434 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000418893491 1073733884 /nfs/dbraw/zinc/73/38/84/1073733884.db2.gz XLPXVMLLBYDFEZ-STQMWFEESA-N 1 0 379.461 -0.434 20 0 GBADRO Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000418893577 1073733819 /nfs/dbraw/zinc/73/38/19/1073733819.db2.gz XYBOBXWADUZYCR-INIZCTEOSA-N 1 0 387.484 -0.015 20 0 GBADRO Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000418893578 1073733644 /nfs/dbraw/zinc/73/36/44/1073733644.db2.gz XYBOBXWADUZYCR-MRXNPFEDSA-N 1 0 387.484 -0.015 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418893729 530348050 /nfs/dbraw/zinc/34/80/50/530348050.db2.gz PXIRQLUXZKCBNS-LLVKDONJSA-N 1 0 390.893 -0.151 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418893730 530348159 /nfs/dbraw/zinc/34/81/59/530348159.db2.gz PXIRQLUXZKCBNS-NSHDSACASA-N 1 0 390.893 -0.151 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418893868 530348033 /nfs/dbraw/zinc/34/80/33/530348033.db2.gz QGJDXIXUKOOSAJ-JTQLQIEISA-N 1 0 392.840 -0.567 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418893869 530348114 /nfs/dbraw/zinc/34/81/14/530348114.db2.gz QGJDXIXUKOOSAJ-SNVBAGLBSA-N 1 0 392.840 -0.567 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418894184 530348105 /nfs/dbraw/zinc/34/81/05/530348105.db2.gz QVWYQZWTTCALGQ-SECBINFHSA-N 1 0 394.856 -0.415 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418894186 530347929 /nfs/dbraw/zinc/34/79/29/530347929.db2.gz QVWYQZWTTCALGQ-VIFPVBQESA-N 1 0 394.856 -0.415 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418894417 530347950 /nfs/dbraw/zinc/34/79/50/530347950.db2.gz REJGZHOATOHEOA-LLVKDONJSA-N 1 0 388.877 -0.316 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418894419 530348028 /nfs/dbraw/zinc/34/80/28/530348028.db2.gz REJGZHOATOHEOA-NSHDSACASA-N 1 0 388.877 -0.316 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418894441 1073733848 /nfs/dbraw/zinc/73/38/48/1073733848.db2.gz RFHXWOCCJUXXIZ-GFCCVEGCSA-N 1 0 392.428 -0.541 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418894450 1073734187 /nfs/dbraw/zinc/73/41/87/1073734187.db2.gz RFHXWOCCJUXXIZ-LBPRGKRZSA-N 1 0 392.428 -0.541 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418894498 1073734202 /nfs/dbraw/zinc/73/42/02/1073734202.db2.gz RHNSZIQIDXSARW-SNVBAGLBSA-N 1 0 392.428 -0.527 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418894856 530348021 /nfs/dbraw/zinc/34/80/21/530348021.db2.gz RUTSGEHJSPIBAB-UHFFFAOYSA-N 1 0 378.401 -0.915 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418894878 1073733928 /nfs/dbraw/zinc/73/39/28/1073733928.db2.gz RXYKXCHDVZRQFM-LLVKDONJSA-N 1 0 390.412 -0.820 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418894880 1073734066 /nfs/dbraw/zinc/73/40/66/1073734066.db2.gz RXYKXCHDVZRQFM-NSHDSACASA-N 1 0 390.412 -0.820 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418894940 1073733692 /nfs/dbraw/zinc/73/36/92/1073733692.db2.gz SEBNMWWFJANTCC-GFCCVEGCSA-N 1 0 390.412 -0.787 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418894942 1073734124 /nfs/dbraw/zinc/73/41/24/1073734124.db2.gz SEBNMWWFJANTCC-LBPRGKRZSA-N 1 0 390.412 -0.787 20 0 GBADRO C[C@@H]1[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC(=O)N1Cc1ccccc1 ZINC000418895174 1073733540 /nfs/dbraw/zinc/73/35/40/1073733540.db2.gz SJEXASFAFRFCNQ-DJIMGWMZSA-N 1 0 388.468 -0.132 20 0 GBADRO C[C@@H]1[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC(=O)N1Cc1ccccc1 ZINC000418895175 1073734251 /nfs/dbraw/zinc/73/42/51/1073734251.db2.gz SJEXASFAFRFCNQ-HYVNUMGLSA-N 1 0 388.468 -0.132 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC(=O)N1Cc1ccccc1 ZINC000418895176 1073734260 /nfs/dbraw/zinc/73/42/60/1073734260.db2.gz SJEXASFAFRFCNQ-OIISXLGYSA-N 1 0 388.468 -0.132 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC(=O)N1Cc1ccccc1 ZINC000418895177 1073733559 /nfs/dbraw/zinc/73/35/59/1073733559.db2.gz SJEXASFAFRFCNQ-PVAVHDDUSA-N 1 0 388.468 -0.132 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000418895218 1073733899 /nfs/dbraw/zinc/73/38/99/1073733899.db2.gz SNGMFOMIJWATLE-BXKDBHETSA-N 1 0 390.412 -0.835 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000418895220 1073733765 /nfs/dbraw/zinc/73/37/65/1073733765.db2.gz SNGMFOMIJWATLE-CABZTGNLSA-N 1 0 390.412 -0.835 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000418895221 1073734268 /nfs/dbraw/zinc/73/42/68/1073734268.db2.gz SNGMFOMIJWATLE-JOYOIKCWSA-N 1 0 390.412 -0.835 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000418895222 1073734221 /nfs/dbraw/zinc/73/42/21/1073734221.db2.gz SNGMFOMIJWATLE-SKDRFNHKSA-N 1 0 390.412 -0.835 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418895294 1073733803 /nfs/dbraw/zinc/73/38/03/1073733803.db2.gz STWUUJXGNBPJLY-LLVKDONJSA-N 1 0 390.412 -0.773 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418895295 1073733667 /nfs/dbraw/zinc/73/36/67/1073733667.db2.gz STWUUJXGNBPJLY-NSHDSACASA-N 1 0 390.412 -0.773 20 0 GBADRO Cc1cccc(OCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000418895378 1073733920 /nfs/dbraw/zinc/73/39/20/1073733920.db2.gz COVKWIFFGVUSOX-HNNXBMFYSA-N 1 0 376.457 -0.196 20 0 GBADRO Cc1cccc(OCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000418895379 1073733514 /nfs/dbraw/zinc/73/35/14/1073733514.db2.gz COVKWIFFGVUSOX-OAHLLOKOSA-N 1 0 376.457 -0.196 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418895458 530348067 /nfs/dbraw/zinc/34/80/67/530348067.db2.gz SVPIHELFSXEWPX-LLVKDONJSA-N 1 0 390.893 -0.022 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418895459 530348197 /nfs/dbraw/zinc/34/81/97/530348197.db2.gz SVPIHELFSXEWPX-NSHDSACASA-N 1 0 390.893 -0.022 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418895477 530347898 /nfs/dbraw/zinc/34/78/98/530347898.db2.gz TUZTZWMBRCBKNZ-UHFFFAOYSA-N 1 0 394.856 -0.401 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418895559 1073734085 /nfs/dbraw/zinc/73/40/85/1073734085.db2.gz UDINEIMHIWQPIK-JTQLQIEISA-N 1 0 392.428 -0.669 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418895562 1073734022 /nfs/dbraw/zinc/73/40/22/1073734022.db2.gz UDINEIMHIWQPIK-SNVBAGLBSA-N 1 0 392.428 -0.669 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418896091 1073733945 /nfs/dbraw/zinc/73/39/45/1073733945.db2.gz FCSVEQDBBOTELY-CABCVRRESA-N 1 0 396.513 -0.025 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418896092 1073733628 /nfs/dbraw/zinc/73/36/28/1073733628.db2.gz FCSVEQDBBOTELY-GJZGRUSLSA-N 1 0 396.513 -0.025 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418896093 1073734242 /nfs/dbraw/zinc/73/42/42/1073734242.db2.gz FCSVEQDBBOTELY-HUUCEWRRSA-N 1 0 396.513 -0.025 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418896094 1073733583 /nfs/dbraw/zinc/73/35/83/1073733583.db2.gz FCSVEQDBBOTELY-LSDHHAIUSA-N 1 0 396.513 -0.025 20 0 GBADRO O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418896110 1073734051 /nfs/dbraw/zinc/73/40/51/1073734051.db2.gz FERHOZNXJCPQSI-DLBZAZTESA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000418896111 1073734169 /nfs/dbraw/zinc/73/41/69/1073734169.db2.gz FERHOZNXJCPQSI-IAGOWNOFSA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(Cc1ccccc1)N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418896112 1073733568 /nfs/dbraw/zinc/73/35/68/1073733568.db2.gz FERHOZNXJCPQSI-IRXDYDNUSA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(Cc1ccccc1)N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000418896113 1073733865 /nfs/dbraw/zinc/73/38/65/1073733865.db2.gz FERHOZNXJCPQSI-SJORKVTESA-N 1 0 388.468 -0.559 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418896371 530348164 /nfs/dbraw/zinc/34/81/64/530348164.db2.gz VBMYPTKICVTJEA-UHFFFAOYSA-N 1 0 394.856 -0.401 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418896442 530348140 /nfs/dbraw/zinc/34/81/40/530348140.db2.gz VIDHYCBWZWYTKL-SECBINFHSA-N 1 0 394.856 -0.321 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418896443 530348179 /nfs/dbraw/zinc/34/81/79/530348179.db2.gz VIDHYCBWZWYTKL-VIFPVBQESA-N 1 0 394.856 -0.321 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418896531 1073734877 /nfs/dbraw/zinc/73/48/77/1073734877.db2.gz FXWRHGBPZIJHKY-CYBMUJFWSA-N 1 0 382.486 -0.143 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418896532 1073735026 /nfs/dbraw/zinc/73/50/26/1073735026.db2.gz FXWRHGBPZIJHKY-ZDUSSCGKSA-N 1 0 382.486 -0.143 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CCO1 ZINC000418896596 1073734679 /nfs/dbraw/zinc/73/46/79/1073734679.db2.gz VUTYUMXFTQDWQI-DLBZAZTESA-N 1 0 384.436 -0.108 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CCO1 ZINC000418896597 1073734648 /nfs/dbraw/zinc/73/46/48/1073734648.db2.gz VUTYUMXFTQDWQI-IAGOWNOFSA-N 1 0 384.436 -0.108 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CCO1 ZINC000418896598 1073734905 /nfs/dbraw/zinc/73/49/05/1073734905.db2.gz VUTYUMXFTQDWQI-IRXDYDNUSA-N 1 0 384.436 -0.108 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CCO1 ZINC000418896599 1073734761 /nfs/dbraw/zinc/73/47/61/1073734761.db2.gz VUTYUMXFTQDWQI-SJORKVTESA-N 1 0 384.436 -0.108 20 0 GBADRO C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC(=O)N1Cc1ccccc1 ZINC000418896870 1073734629 /nfs/dbraw/zinc/73/46/29/1073734629.db2.gz WBUFTDILGRWPQF-DJIMGWMZSA-N 1 0 388.468 -0.213 20 0 GBADRO C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC(=O)N1Cc1ccccc1 ZINC000418896871 1073734893 /nfs/dbraw/zinc/73/48/93/1073734893.db2.gz WBUFTDILGRWPQF-HYVNUMGLSA-N 1 0 388.468 -0.213 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC(=O)N1Cc1ccccc1 ZINC000418896872 1073734644 /nfs/dbraw/zinc/73/46/44/1073734644.db2.gz WBUFTDILGRWPQF-OIISXLGYSA-N 1 0 388.468 -0.213 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC(=O)N1Cc1ccccc1 ZINC000418896873 1073734717 /nfs/dbraw/zinc/73/47/17/1073734717.db2.gz WBUFTDILGRWPQF-PVAVHDDUSA-N 1 0 388.468 -0.213 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418896889 1073734831 /nfs/dbraw/zinc/73/48/31/1073734831.db2.gz WDJPCIVUILHNNV-LLVKDONJSA-N 1 0 390.412 -0.691 20 0 GBADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418896890 1073734699 /nfs/dbraw/zinc/73/46/99/1073734699.db2.gz WDJPCIVUILHNNV-NSHDSACASA-N 1 0 390.412 -0.691 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418896929 530348191 /nfs/dbraw/zinc/34/81/91/530348191.db2.gz WIKZUKAUFGHNSI-UHFFFAOYSA-N 1 0 380.829 -0.791 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418896946 530347963 /nfs/dbraw/zinc/34/79/63/530347963.db2.gz WQHIJFSPZVRPRS-LLVKDONJSA-N 1 0 390.893 -0.070 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418896947 530347886 /nfs/dbraw/zinc/34/78/86/530347886.db2.gz WQHIJFSPZVRPRS-NSHDSACASA-N 1 0 390.893 -0.070 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418897082 1073734724 /nfs/dbraw/zinc/73/47/24/1073734724.db2.gz GFRNFXRQUOJBLP-IKGGRYGDSA-N 1 0 388.468 -0.873 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418897083 1073734981 /nfs/dbraw/zinc/73/49/81/1073734981.db2.gz GFRNFXRQUOJBLP-ULQDDVLXSA-N 1 0 388.468 -0.873 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418897131 1073734682 /nfs/dbraw/zinc/73/46/82/1073734682.db2.gz GPESHNQIEQIBGY-DOMZBBRYSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418897132 1073734691 /nfs/dbraw/zinc/73/46/91/1073734691.db2.gz GPESHNQIEQIBGY-IUODEOHRSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418897133 1073735018 /nfs/dbraw/zinc/73/50/18/1073735018.db2.gz GPESHNQIEQIBGY-SWLSCSKDSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418897134 1073734947 /nfs/dbraw/zinc/73/49/47/1073734947.db2.gz GPESHNQIEQIBGY-WFASDCNBSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@H]1[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC(=O)N1Cc1ccccc1 ZINC000418897310 1073734959 /nfs/dbraw/zinc/73/49/59/1073734959.db2.gz WZZPVBHAODFPHF-DOTOQJQBSA-N 1 0 387.484 -0.686 20 0 GBADRO C[C@@H]1[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC(=O)N1Cc1ccccc1 ZINC000418897311 1073734706 /nfs/dbraw/zinc/73/47/06/1073734706.db2.gz WZZPVBHAODFPHF-NVXWUHKLSA-N 1 0 387.484 -0.686 20 0 GBADRO C[C@H]1[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC(=O)N1Cc1ccccc1 ZINC000418897312 1073734943 /nfs/dbraw/zinc/73/49/43/1073734943.db2.gz WZZPVBHAODFPHF-RDJZCZTQSA-N 1 0 387.484 -0.686 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC(=O)N1Cc1ccccc1 ZINC000418897313 1073734971 /nfs/dbraw/zinc/73/49/71/1073734971.db2.gz WZZPVBHAODFPHF-WBVHZDCISA-N 1 0 387.484 -0.686 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418897339 1073734742 /nfs/dbraw/zinc/73/47/42/1073734742.db2.gz XBGXUJCIJRBMHJ-GFCCVEGCSA-N 1 0 390.412 -0.787 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000418897340 1073735059 /nfs/dbraw/zinc/73/50/59/1073735059.db2.gz XBGXUJCIJRBMHJ-LBPRGKRZSA-N 1 0 390.412 -0.787 20 0 GBADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000418897917 530348172 /nfs/dbraw/zinc/34/81/72/530348172.db2.gz YKCRNWAWVAQERH-UHFFFAOYSA-N 1 0 388.877 -0.444 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418897936 530348122 /nfs/dbraw/zinc/34/81/22/530348122.db2.gz YMCZTYJTNSFIRK-LLVKDONJSA-N 1 0 390.893 -0.164 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418897937 530348177 /nfs/dbraw/zinc/34/81/77/530348177.db2.gz YMCZTYJTNSFIRK-NSHDSACASA-N 1 0 390.893 -0.164 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418897945 530348074 /nfs/dbraw/zinc/34/80/74/530348074.db2.gz YNTZMRPELIXGRH-UHFFFAOYSA-N 1 0 390.893 -0.150 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418898131 1073734992 /nfs/dbraw/zinc/73/49/92/1073734992.db2.gz HKNRIWRCWMMDAU-KBPBESRZSA-N 1 0 382.486 -0.320 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418898132 1073734616 /nfs/dbraw/zinc/73/46/16/1073734616.db2.gz HKNRIWRCWMMDAU-KGLIPLIRSA-N 1 0 382.486 -0.320 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000418898134 1073735034 /nfs/dbraw/zinc/73/50/34/1073735034.db2.gz HKNRIWRCWMMDAU-UONOGXRCSA-N 1 0 382.486 -0.320 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000418898135 1073734918 /nfs/dbraw/zinc/73/49/18/1073734918.db2.gz HKNRIWRCWMMDAU-ZIAGYGMSSA-N 1 0 382.486 -0.320 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418898233 1073734868 /nfs/dbraw/zinc/73/48/68/1073734868.db2.gz HWQWEDQODTVQRY-FMKPAKJESA-N 1 0 394.497 -0.320 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418898234 1073734674 /nfs/dbraw/zinc/73/46/74/1073734674.db2.gz HWQWEDQODTVQRY-LZWOXQAQSA-N 1 0 394.497 -0.320 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418898241 1073734848 /nfs/dbraw/zinc/73/48/48/1073734848.db2.gz HXGSHUJGLOELJH-DOMZBBRYSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418898242 1073734624 /nfs/dbraw/zinc/73/46/24/1073734624.db2.gz HXGSHUJGLOELJH-IUODEOHRSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418898243 1073734646 /nfs/dbraw/zinc/73/46/46/1073734646.db2.gz HXGSHUJGLOELJH-SWLSCSKDSA-N 1 0 382.486 -0.287 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418898245 1073734676 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C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418900410 1073736748 /nfs/dbraw/zinc/73/67/48/1073736748.db2.gz KFCGLSCZJUCUGG-UONOGXRCSA-N 1 0 382.486 -0.320 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418900412 1073736860 /nfs/dbraw/zinc/73/68/60/1073736860.db2.gz KFCGLSCZJUCUGG-ZIAGYGMSSA-N 1 0 382.486 -0.320 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418900899 1073736837 /nfs/dbraw/zinc/73/68/37/1073736837.db2.gz KRZZRCMUDSTSBX-DZGCQCFKSA-N 1 0 384.502 -0.041 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418900900 1073736935 /nfs/dbraw/zinc/73/69/35/1073736935.db2.gz KRZZRCMUDSTSBX-HIFRSBDPSA-N 1 0 384.502 -0.041 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000418900901 1073736799 /nfs/dbraw/zinc/73/67/99/1073736799.db2.gz KRZZRCMUDSTSBX-UKRRQHHQSA-N 1 0 384.502 -0.041 20 0 GBADRO 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CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000418904822 1073737553 /nfs/dbraw/zinc/73/75/53/1073737553.db2.gz JMUXEFBHIRRFQB-LSDHHAIUSA-N 1 0 390.488 -0.372 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000418906170 1073737591 /nfs/dbraw/zinc/73/75/91/1073737591.db2.gz FMWLWPIQHHQLHU-CYBMUJFWSA-N 1 0 382.486 -0.059 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000418906172 1073737479 /nfs/dbraw/zinc/73/74/79/1073737479.db2.gz FMWLWPIQHHQLHU-ZDUSSCGKSA-N 1 0 382.486 -0.059 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418906351 1073737303 /nfs/dbraw/zinc/73/73/03/1073737303.db2.gz QNFLREDEPPHXTH-KBPBESRZSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418906352 1073737338 /nfs/dbraw/zinc/73/73/38/1073737338.db2.gz QNFLREDEPPHXTH-KGLIPLIRSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 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396.513 -0.026 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000418910523 1073737616 /nfs/dbraw/zinc/73/76/16/1073737616.db2.gz UVOMLBHREUWBQP-INIZCTEOSA-N 1 0 376.457 -0.884 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000418910838 1073737585 /nfs/dbraw/zinc/73/75/85/1073737585.db2.gz UVOMLBHREUWBQP-MRXNPFEDSA-N 1 0 376.457 -0.884 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418910850 1073737435 /nfs/dbraw/zinc/73/74/35/1073737435.db2.gz UYTGYPDBNAVPMR-KBPBESRZSA-N 1 0 382.486 -0.191 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418910851 1073737484 /nfs/dbraw/zinc/73/74/84/1073737484.db2.gz UYTGYPDBNAVPMR-KGLIPLIRSA-N 1 0 382.486 -0.191 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418910852 1073737541 /nfs/dbraw/zinc/73/75/41/1073737541.db2.gz UYTGYPDBNAVPMR-UONOGXRCSA-N 1 0 382.486 -0.191 20 0 GBADRO 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20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418913142 1073736675 /nfs/dbraw/zinc/73/66/75/1073736675.db2.gz XGZQJZAWHXIOSO-ZIAGYGMSSA-N 1 0 398.485 -0.954 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418913878 1073738676 /nfs/dbraw/zinc/73/86/76/1073738676.db2.gz XZDWVMFBEBZCGM-KBPBESRZSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418913879 1073738313 /nfs/dbraw/zinc/73/83/13/1073738313.db2.gz XZDWVMFBEBZCGM-KGLIPLIRSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418913880 1073738504 /nfs/dbraw/zinc/73/85/04/1073738504.db2.gz XZDWVMFBEBZCGM-UONOGXRCSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418913881 1073738710 /nfs/dbraw/zinc/73/87/10/1073738710.db2.gz XZDWVMFBEBZCGM-ZIAGYGMSSA-N 1 0 382.486 -0.272 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000418914596 1073738126 /nfs/dbraw/zinc/73/81/26/1073738126.db2.gz YQLQTDCYRYNPJL-KRWDZBQOSA-N 1 0 390.484 -0.312 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000418914641 1073738303 /nfs/dbraw/zinc/73/83/03/1073738303.db2.gz YQLQTDCYRYNPJL-QGZVFWFLSA-N 1 0 390.484 -0.312 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC[NH2+]1 ZINC000418915218 1073738352 /nfs/dbraw/zinc/73/83/52/1073738352.db2.gz HZFZTNCIIYUFPV-AWEZNQCLSA-N 1 0 384.440 -0.042 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC[NH2+]1 ZINC000418915219 1073738405 /nfs/dbraw/zinc/73/84/05/1073738405.db2.gz HZFZTNCIIYUFPV-CQSZACIVSA-N 1 0 384.440 -0.042 20 0 GBADRO O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000418915611 1073738560 /nfs/dbraw/zinc/73/85/60/1073738560.db2.gz PTLYAXGMBZSGSE-UHFFFAOYSA-N 1 0 394.497 -0.091 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000418915946 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1073739419 /nfs/dbraw/zinc/73/94/19/1073739419.db2.gz YSJMXXUEXIKFHG-UHFFFAOYSA-N 1 0 382.486 -0.106 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000418926738 1073740343 /nfs/dbraw/zinc/74/03/43/1073740343.db2.gz UEWXTZBFJGIXEH-AWEZNQCLSA-N 1 0 384.440 -0.042 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000418926739 1073740216 /nfs/dbraw/zinc/74/02/16/1073740216.db2.gz UEWXTZBFJGIXEH-CQSZACIVSA-N 1 0 384.440 -0.042 20 0 GBADRO CO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418929965 1073740166 /nfs/dbraw/zinc/74/01/66/1073740166.db2.gz AQCMIAWTBAFWAP-CVEARBPZSA-N 1 0 376.457 -0.196 20 0 GBADRO CO[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418929967 1073740101 /nfs/dbraw/zinc/74/01/01/1073740101.db2.gz AQCMIAWTBAFWAP-HOTGVXAUSA-N 1 0 376.457 -0.196 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418929968 1073740085 /nfs/dbraw/zinc/74/00/85/1073740085.db2.gz AQCMIAWTBAFWAP-HZPDHXFCSA-N 1 0 376.457 -0.196 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000418929969 1073739983 /nfs/dbraw/zinc/73/99/83/1073739983.db2.gz AQCMIAWTBAFWAP-JKSUJKDBSA-N 1 0 376.457 -0.196 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000418931287 1073740275 /nfs/dbraw/zinc/74/02/75/1073740275.db2.gz DAELQXYGIDCWHP-UHFFFAOYSA-N 1 0 388.534 -0.330 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418931663 530347906 /nfs/dbraw/zinc/34/79/06/530347906.db2.gz DWRNJAKRQPXREJ-AWEZNQCLSA-N 1 0 376.523 -0.346 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418931667 530348156 /nfs/dbraw/zinc/34/81/56/530348156.db2.gz DWRNJAKRQPXREJ-CQSZACIVSA-N 1 0 376.523 -0.346 20 0 GBADRO Cc1ccccc1OCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418932512 1073739432 /nfs/dbraw/zinc/73/94/32/1073739432.db2.gz HNICVZHXECZJSM-HNNXBMFYSA-N 1 0 376.457 -0.196 20 0 GBADRO Cc1ccccc1OCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418932513 1073739509 /nfs/dbraw/zinc/73/95/09/1073739509.db2.gz HNICVZHXECZJSM-OAHLLOKOSA-N 1 0 376.457 -0.196 20 0 GBADRO CN(C(=O)C(=O)NCCOc1cccc(Br)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418933085 530347934 /nfs/dbraw/zinc/34/79/34/530347934.db2.gz DDQGGZSKTVZEFM-STQMWFEESA-N 1 0 386.246 -0.265 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@@H]21 ZINC000418934053 1073739447 /nfs/dbraw/zinc/73/94/47/1073739447.db2.gz IULXBBLKZQHIQJ-QLFBSQMISA-N 1 0 386.518 -0.592 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@H]21 ZINC000418934054 1073739152 /nfs/dbraw/zinc/73/91/52/1073739152.db2.gz IULXBBLKZQHIQJ-RBSFLKMASA-N 1 0 386.518 -0.592 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@H]21 ZINC000418934055 1073739441 /nfs/dbraw/zinc/73/94/41/1073739441.db2.gz IULXBBLKZQHIQJ-RRFJBIMHSA-N 1 0 386.518 -0.592 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@@H]21 ZINC000418934056 1073739503 /nfs/dbraw/zinc/73/95/03/1073739503.db2.gz IULXBBLKZQHIQJ-SOUVJXGZSA-N 1 0 386.518 -0.592 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cc(F)ccc2F)C1 ZINC000418934382 1073739163 /nfs/dbraw/zinc/73/91/63/1073739163.db2.gz JNQBHLQEIWTXSE-CYBMUJFWSA-N 1 0 382.411 -0.063 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cc(F)ccc2F)C1 ZINC000418934387 1073739040 /nfs/dbraw/zinc/73/90/40/1073739040.db2.gz JNQBHLQEIWTXSE-ZDUSSCGKSA-N 1 0 382.411 -0.063 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCCCC1 ZINC000418935118 1073740026 /nfs/dbraw/zinc/74/00/26/1073740026.db2.gz KJNHVUFCMPVPAP-HNNXBMFYSA-N 1 0 388.534 -0.154 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCCCC1 ZINC000418935119 1073740441 /nfs/dbraw/zinc/74/04/41/1073740441.db2.gz KJNHVUFCMPVPAP-OAHLLOKOSA-N 1 0 388.534 -0.154 20 0 GBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000418935246 1073740048 /nfs/dbraw/zinc/74/00/48/1073740048.db2.gz LMAWOFNBUYDNGK-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000418935248 1073740353 /nfs/dbraw/zinc/74/03/53/1073740353.db2.gz LMAWOFNBUYDNGK-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000418937050 1073740296 /nfs/dbraw/zinc/74/02/96/1073740296.db2.gz NDMJBFCYHAAGCJ-UHFFFAOYSA-N 1 0 388.534 -0.330 20 0 GBADRO O=C(NCCCNC(=O)c1ccc(F)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418938095 1073741386 /nfs/dbraw/zinc/74/13/86/1073741386.db2.gz DHEZYPACCGTXPY-UHFFFAOYSA-N 1 0 379.436 -0.917 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418938715 1073741231 /nfs/dbraw/zinc/74/12/31/1073741231.db2.gz PWDAFHNVFVSCNI-AWEZNQCLSA-N 1 0 388.534 -0.284 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418938716 1073741039 /nfs/dbraw/zinc/74/10/39/1073741039.db2.gz PWDAFHNVFVSCNI-CQSZACIVSA-N 1 0 388.534 -0.284 20 0 GBADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939056 1073741458 /nfs/dbraw/zinc/74/14/58/1073741458.db2.gz QKSUCVXBSDUBCC-UHFFFAOYSA-N 1 0 396.513 -0.190 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939382 1073740865 /nfs/dbraw/zinc/74/08/65/1073740865.db2.gz REKKQONXGDKWDL-AAEUAGOBSA-N 1 0 390.506 -0.949 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939383 1073741489 /nfs/dbraw/zinc/74/14/89/1073741489.db2.gz REKKQONXGDKWDL-DGCLKSJQSA-N 1 0 390.506 -0.949 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939384 1073741500 /nfs/dbraw/zinc/74/15/00/1073741500.db2.gz REKKQONXGDKWDL-WCQYABFASA-N 1 0 390.506 -0.949 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000418939385 1073740957 /nfs/dbraw/zinc/74/09/57/1073740957.db2.gz REKKQONXGDKWDL-YPMHNXCESA-N 1 0 390.506 -0.949 20 0 GBADRO CN(C(=O)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418940369 1073741508 /nfs/dbraw/zinc/74/15/08/1073741508.db2.gz IZLNDQVVSPPDBA-STQMWFEESA-N 1 0 393.831 -0.160 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418940397 1073740992 /nfs/dbraw/zinc/74/09/92/1073740992.db2.gz JAXVRTUBGJJFRS-KGLIPLIRSA-N 1 0 386.449 -0.866 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccc1 ZINC000418941221 1073740124 /nfs/dbraw/zinc/74/01/24/1073740124.db2.gz VHAWGMHONZIYAI-HNNXBMFYSA-N 1 0 382.486 -0.362 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1)c1ccccc1 ZINC000418941222 1073740093 /nfs/dbraw/zinc/74/00/93/1073740093.db2.gz VHAWGMHONZIYAI-OAHLLOKOSA-N 1 0 382.486 -0.362 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CCCCCC1 ZINC000418941610 1073741321 /nfs/dbraw/zinc/74/13/21/1073741321.db2.gz VWOZYSQZGZLYIB-UHFFFAOYSA-N 1 0 388.534 -0.010 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CCO1 ZINC000418943968 1073741518 /nfs/dbraw/zinc/74/15/18/1073741518.db2.gz CNTLGLSVWBQPES-GFCCVEGCSA-N 1 0 390.362 -0.133 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CCO1 ZINC000418943969 1073741124 /nfs/dbraw/zinc/74/11/24/1073741124.db2.gz CNTLGLSVWBQPES-LBPRGKRZSA-N 1 0 390.362 -0.133 20 0 GBADRO CN(C(=O)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418945349 1073741400 /nfs/dbraw/zinc/74/14/00/1073741400.db2.gz JZXVAVIAKGVWQT-GRDNDAEWSA-N 1 0 375.425 -0.184 20 0 GBADRO CN(C(=O)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418945351 1073741213 /nfs/dbraw/zinc/74/12/13/1073741213.db2.gz JZXVAVIAKGVWQT-ZQIUZPCESA-N 1 0 375.425 -0.184 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418946446 1073740980 /nfs/dbraw/zinc/74/09/80/1073740980.db2.gz RHQHWGNOMFDTKI-HNNXBMFYSA-N 1 0 378.454 -0.379 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418946447 1073741421 /nfs/dbraw/zinc/74/14/21/1073741421.db2.gz RHQHWGNOMFDTKI-OAHLLOKOSA-N 1 0 378.454 -0.379 20 0 GBADRO CSc1cc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)ccn1 ZINC000418954350 1073741989 /nfs/dbraw/zinc/74/19/89/1073741989.db2.gz NWFQERISWXQEPX-AWEZNQCLSA-N 1 0 391.497 -0.158 20 0 GBADRO CSc1cc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)ccn1 ZINC000418954360 1073742095 /nfs/dbraw/zinc/74/20/95/1073742095.db2.gz NWFQERISWXQEPX-CQSZACIVSA-N 1 0 391.497 -0.158 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955222 1073742539 /nfs/dbraw/zinc/74/25/39/1073742539.db2.gz PPCGQEOGQMCWSO-DZGCQCFKSA-N 1 0 393.488 -0.133 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955223 1073742104 /nfs/dbraw/zinc/74/21/04/1073742104.db2.gz PPCGQEOGQMCWSO-HIFRSBDPSA-N 1 0 393.488 -0.133 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955224 1073742263 /nfs/dbraw/zinc/74/22/63/1073742263.db2.gz PPCGQEOGQMCWSO-UKRRQHHQSA-N 1 0 393.488 -0.133 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418955225 1073741809 /nfs/dbraw/zinc/74/18/09/1073741809.db2.gz PPCGQEOGQMCWSO-ZFWWWQNUSA-N 1 0 393.488 -0.133 20 0 GBADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418956176 530348084 /nfs/dbraw/zinc/34/80/84/530348084.db2.gz VXQSJNAANBYFGN-UHFFFAOYSA-N 1 0 399.289 -0.035 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccn1 ZINC000418958647 1073741971 /nfs/dbraw/zinc/74/19/71/1073741971.db2.gz YCOWCDZVBZMEPY-IYBDPMFKSA-N 1 0 375.473 -0.009 20 0 GBADRO CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418959734 1073742319 /nfs/dbraw/zinc/74/23/19/1073742319.db2.gz CLAZKBHEGAJDBQ-ARFHVFGLSA-N 1 0 380.489 -0.127 20 0 GBADRO CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418959735 1073742121 /nfs/dbraw/zinc/74/21/21/1073742121.db2.gz CLAZKBHEGAJDBQ-BZUAXINKSA-N 1 0 380.489 -0.127 20 0 GBADRO COc1cc(CN2CC[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959847 1073743176 /nfs/dbraw/zinc/74/31/76/1073743176.db2.gz HYCMRAYJKVYCLL-HNNXBMFYSA-N 1 0 376.457 -0.174 20 0 GBADRO COc1cc(CN2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000418959857 1073742981 /nfs/dbraw/zinc/74/29/81/1073742981.db2.gz HYCMRAYJKVYCLL-OAHLLOKOSA-N 1 0 376.457 -0.174 20 0 GBADRO COCC1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCC1 ZINC000418961718 1073741908 /nfs/dbraw/zinc/74/19/08/1073741908.db2.gz IYVAKVSBEXFBJC-HNNXBMFYSA-N 1 0 380.489 -0.268 20 0 GBADRO COCC1(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCC1 ZINC000418961719 1073742189 /nfs/dbraw/zinc/74/21/89/1073742189.db2.gz IYVAKVSBEXFBJC-OAHLLOKOSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCCOCC1CCCC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418962978 1073742233 /nfs/dbraw/zinc/74/22/33/1073742233.db2.gz DXUCSPAMEDBIHC-INIZCTEOSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCCOCC1CCCC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418962980 1073742621 /nfs/dbraw/zinc/74/26/21/1073742621.db2.gz DXUCSPAMEDBIHC-MRXNPFEDSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418965398 1073742175 /nfs/dbraw/zinc/74/21/75/1073742175.db2.gz OVIQOINKVYYRLF-UHFFFAOYSA-N 1 0 379.436 -0.917 20 0 GBADRO CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418965502 1073743332 /nfs/dbraw/zinc/74/33/32/1073743332.db2.gz TZZQEUWFEDGCOV-ARFHVFGLSA-N 1 0 380.489 -0.269 20 0 GBADRO CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418965503 1073743589 /nfs/dbraw/zinc/74/35/89/1073743589.db2.gz TZZQEUWFEDGCOV-BZUAXINKSA-N 1 0 380.489 -0.269 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(O[C@@H]2CCOC2)c1 ZINC000418965749 1073743584 /nfs/dbraw/zinc/74/35/84/1073743584.db2.gz LYTXNRUUCMNOIK-CVEARBPZSA-N 1 0 377.441 -0.035 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(O[C@H]2CCOC2)c1 ZINC000418965750 1073743517 /nfs/dbraw/zinc/74/35/17/1073743517.db2.gz LYTXNRUUCMNOIK-HOTGVXAUSA-N 1 0 377.441 -0.035 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(O[C@@H]2CCOC2)c1 ZINC000418965751 1073743116 /nfs/dbraw/zinc/74/31/16/1073743116.db2.gz LYTXNRUUCMNOIK-HZPDHXFCSA-N 1 0 377.441 -0.035 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(O[C@H]2CCOC2)c1 ZINC000418965752 1073743318 /nfs/dbraw/zinc/74/33/18/1073743318.db2.gz LYTXNRUUCMNOIK-JKSUJKDBSA-N 1 0 377.441 -0.035 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967578 1073743137 /nfs/dbraw/zinc/74/31/37/1073743137.db2.gz SCMOBWWGLKJDKG-AXFHLTTASA-N 1 0 394.394 -0.115 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967583 1073743084 /nfs/dbraw/zinc/74/30/84/1073743084.db2.gz SCMOBWWGLKJDKG-DCAQKATOSA-N 1 0 394.394 -0.115 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967585 1073743541 /nfs/dbraw/zinc/74/35/41/1073743541.db2.gz SCMOBWWGLKJDKG-GARJFASQSA-N 1 0 394.394 -0.115 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000418967586 1073743616 /nfs/dbraw/zinc/74/36/16/1073743616.db2.gz SCMOBWWGLKJDKG-HBNTYKKESA-N 1 0 394.394 -0.115 20 0 GBADRO COc1cccc2c1C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C2 ZINC000418970400 1073743483 /nfs/dbraw/zinc/74/34/83/1073743483.db2.gz IBMQIQXTPUPZHJ-CABCVRRESA-N 1 0 388.468 -0.408 20 0 GBADRO COc1cccc2c1C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C2 ZINC000418970401 1073743366 /nfs/dbraw/zinc/74/33/66/1073743366.db2.gz IBMQIQXTPUPZHJ-GJZGRUSLSA-N 1 0 388.468 -0.408 20 0 GBADRO COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C2 ZINC000418970402 1073743360 /nfs/dbraw/zinc/74/33/60/1073743360.db2.gz IBMQIQXTPUPZHJ-HUUCEWRRSA-N 1 0 388.468 -0.408 20 0 GBADRO COc1cccc2c1C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C2 ZINC000418970403 1073743475 /nfs/dbraw/zinc/74/34/75/1073743475.db2.gz IBMQIQXTPUPZHJ-LSDHHAIUSA-N 1 0 388.468 -0.408 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1C ZINC000418971072 1073744230 /nfs/dbraw/zinc/74/42/30/1073744230.db2.gz JXDFHVDTJLYMGN-INIZCTEOSA-N 1 0 387.484 -0.015 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1C ZINC000418971073 1073744465 /nfs/dbraw/zinc/74/44/65/1073744465.db2.gz JXDFHVDTJLYMGN-MRXNPFEDSA-N 1 0 387.484 -0.015 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)C1 ZINC000418971245 1073744130 /nfs/dbraw/zinc/74/41/30/1073744130.db2.gz ASGBYMQPDIJVPV-AWEZNQCLSA-N 1 0 382.486 -0.190 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)C1 ZINC000418971246 1073744350 /nfs/dbraw/zinc/74/43/50/1073744350.db2.gz ASGBYMQPDIJVPV-CQSZACIVSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000418972105 1073744337 /nfs/dbraw/zinc/74/43/37/1073744337.db2.gz BUKOYNKDGNMJJS-AWEZNQCLSA-N 1 0 382.486 -0.059 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000418972108 1073744412 /nfs/dbraw/zinc/74/44/12/1073744412.db2.gz BUKOYNKDGNMJJS-CQSZACIVSA-N 1 0 382.486 -0.059 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000418972511 1073742932 /nfs/dbraw/zinc/74/29/32/1073742932.db2.gz CGKZCHKIKBHCAM-CHWSQXEVSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000418972512 1073743456 /nfs/dbraw/zinc/74/34/56/1073743456.db2.gz CGKZCHKIKBHCAM-OLZOCXBDSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000418972513 1073743347 /nfs/dbraw/zinc/74/33/47/1073743347.db2.gz CGKZCHKIKBHCAM-QWHCGFSZSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000418972514 1073743245 /nfs/dbraw/zinc/74/32/45/1073743245.db2.gz CGKZCHKIKBHCAM-STQMWFEESA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418972936 1073743563 /nfs/dbraw/zinc/74/35/63/1073743563.db2.gz DBCXQIFSJVRKCF-DOMZBBRYSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418972937 1073743299 /nfs/dbraw/zinc/74/32/99/1073743299.db2.gz DBCXQIFSJVRKCF-IUODEOHRSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000418972938 1073742963 /nfs/dbraw/zinc/74/29/63/1073742963.db2.gz DBCXQIFSJVRKCF-SWLSCSKDSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000418972939 1073743073 /nfs/dbraw/zinc/74/30/73/1073743073.db2.gz DBCXQIFSJVRKCF-WFASDCNBSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000418974556 1073743238 /nfs/dbraw/zinc/74/32/38/1073743238.db2.gz GBTQRWRVYDAKHT-AWEZNQCLSA-N 1 0 382.486 -0.141 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000418974557 1073742919 /nfs/dbraw/zinc/74/29/19/1073742919.db2.gz GBTQRWRVYDAKHT-CQSZACIVSA-N 1 0 382.486 -0.141 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000418975055 1073745213 /nfs/dbraw/zinc/74/52/13/1073745213.db2.gz GQWQFHXCTTWFFI-DOMZBBRYSA-N 1 0 382.486 -0.205 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000418975057 1073744703 /nfs/dbraw/zinc/74/47/03/1073744703.db2.gz GQWQFHXCTTWFFI-IUODEOHRSA-N 1 0 382.486 -0.205 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000418975058 1073745164 /nfs/dbraw/zinc/74/51/64/1073745164.db2.gz GQWQFHXCTTWFFI-SWLSCSKDSA-N 1 0 382.486 -0.205 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000418975059 1073744680 /nfs/dbraw/zinc/74/46/80/1073744680.db2.gz GQWQFHXCTTWFFI-WFASDCNBSA-N 1 0 382.486 -0.205 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000418975138 1073744283 /nfs/dbraw/zinc/74/42/83/1073744283.db2.gz SBLCYTHJKLIIHH-AWEZNQCLSA-N 1 0 388.534 -0.331 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000418975139 1073744407 /nfs/dbraw/zinc/74/44/07/1073744407.db2.gz SBLCYTHJKLIIHH-CQSZACIVSA-N 1 0 388.534 -0.331 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418975213 530348151 /nfs/dbraw/zinc/34/81/51/530348151.db2.gz QOZKBSIXRVLEGU-UHFFFAOYSA-N 1 0 384.234 -0.279 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418975974 1073743947 /nfs/dbraw/zinc/74/39/47/1073743947.db2.gz UKQJVYAJLCHEMM-UHFFFAOYSA-N 1 0 388.534 -0.058 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000418976223 1073743922 /nfs/dbraw/zinc/74/39/22/1073743922.db2.gz IEPTYSZJXDEVST-AWEZNQCLSA-N 1 0 382.486 -0.189 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000418976224 1073744404 /nfs/dbraw/zinc/74/44/04/1073744404.db2.gz IEPTYSZJXDEVST-CQSZACIVSA-N 1 0 382.486 -0.189 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000418976230 1073743938 /nfs/dbraw/zinc/74/39/38/1073743938.db2.gz IEZRZJROZMDIRS-GXTWGEPZSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000418976231 1073744309 /nfs/dbraw/zinc/74/43/09/1073744309.db2.gz IEZRZJROZMDIRS-JSGCOSHPSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000418976232 1073744028 /nfs/dbraw/zinc/74/40/28/1073744028.db2.gz IEZRZJROZMDIRS-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000418976233 1073744293 /nfs/dbraw/zinc/74/42/93/1073744293.db2.gz IEZRZJROZMDIRS-TZMCWYRMSA-N 1 0 382.486 -0.203 20 0 GBADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000418976677 1073744037 /nfs/dbraw/zinc/74/40/37/1073744037.db2.gz JAVGCVHODBGDBJ-CAOSSQGBSA-N 1 0 380.489 -0.223 20 0 GBADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000418976683 1073744367 /nfs/dbraw/zinc/74/43/67/1073744367.db2.gz JAVGCVHODBGDBJ-JONQDZQNSA-N 1 0 380.489 -0.223 20 0 GBADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000418976685 1073744317 /nfs/dbraw/zinc/74/43/17/1073744317.db2.gz JAVGCVHODBGDBJ-LVQVYYBASA-N 1 0 380.489 -0.223 20 0 GBADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000418976687 1073744396 /nfs/dbraw/zinc/74/43/96/1073744396.db2.gz JAVGCVHODBGDBJ-WCVJEAGWSA-N 1 0 380.489 -0.223 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000418976701 1073744459 /nfs/dbraw/zinc/74/44/59/1073744459.db2.gz JBQDMVCPZOFJAO-INIZCTEOSA-N 1 0 396.532 -0.122 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000418976704 1073744440 /nfs/dbraw/zinc/74/44/40/1073744440.db2.gz JBQDMVCPZOFJAO-MRXNPFEDSA-N 1 0 396.532 -0.122 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000418977129 1073743906 /nfs/dbraw/zinc/74/39/06/1073743906.db2.gz JOMFQWMOEIJGSU-UHFFFAOYSA-N 1 0 382.486 -0.189 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000418977170 1073744434 /nfs/dbraw/zinc/74/44/34/1073744434.db2.gz JVZWQBWHBVULAX-CYBMUJFWSA-N 1 0 382.486 -0.190 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000418977171 1073744207 /nfs/dbraw/zinc/74/42/07/1073744207.db2.gz JVZWQBWHBVULAX-ZDUSSCGKSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000418977186 1073743974 /nfs/dbraw/zinc/74/39/74/1073743974.db2.gz JXFODXOVDCBYDN-GXTWGEPZSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000418977187 1073743895 /nfs/dbraw/zinc/74/38/95/1073743895.db2.gz JXFODXOVDCBYDN-JSGCOSHPSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000418977189 1073744454 /nfs/dbraw/zinc/74/44/54/1073744454.db2.gz JXFODXOVDCBYDN-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000418977190 1073744360 /nfs/dbraw/zinc/74/43/60/1073744360.db2.gz JXFODXOVDCBYDN-TZMCWYRMSA-N 1 0 382.486 -0.203 20 0 GBADRO CN(C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418977338 530348157 /nfs/dbraw/zinc/34/81/57/530348157.db2.gz UBQYFXZMNOESAQ-QWRGUYRKSA-N 1 0 396.245 -0.267 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)[C@H]1C[NH3+] ZINC000418977450 1073744384 /nfs/dbraw/zinc/74/43/84/1073744384.db2.gz JYVFGNMSTKCEEI-CVEARBPZSA-N 1 0 382.505 -0.430 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)[C@H]1C[NH3+] ZINC000418977451 1073744145 /nfs/dbraw/zinc/74/41/45/1073744145.db2.gz JYVFGNMSTKCEEI-HOTGVXAUSA-N 1 0 382.505 -0.430 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000418977452 1073744005 /nfs/dbraw/zinc/74/40/05/1073744005.db2.gz JYVFGNMSTKCEEI-HZPDHXFCSA-N 1 0 382.505 -0.430 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000418977453 1073744417 /nfs/dbraw/zinc/74/44/17/1073744417.db2.gz JYVFGNMSTKCEEI-JKSUJKDBSA-N 1 0 382.505 -0.430 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000418978122 1073744372 /nfs/dbraw/zinc/74/43/72/1073744372.db2.gz LGOJYRRJRVPGIH-AWEZNQCLSA-N 1 0 382.486 -0.061 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000418978124 1073744273 /nfs/dbraw/zinc/74/42/73/1073744273.db2.gz LGOJYRRJRVPGIH-CQSZACIVSA-N 1 0 382.486 -0.061 20 0 GBADRO O=C(NCCOCC1CCCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418978294 1073744325 /nfs/dbraw/zinc/74/43/25/1073744325.db2.gz VYOZELVPVMVQHU-KRWDZBQOSA-N 1 0 394.516 -0.020 20 0 GBADRO O=C(NCCOCC1CCCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418978295 1073744100 /nfs/dbraw/zinc/74/41/00/1073744100.db2.gz VYOZELVPVMVQHU-QGZVFWFLSA-N 1 0 394.516 -0.020 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000418978931 1073744918 /nfs/dbraw/zinc/74/49/18/1073744918.db2.gz MKRZCXRLEACLKI-INIZCTEOSA-N 1 0 382.505 -0.416 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000418978935 1073745226 /nfs/dbraw/zinc/74/52/26/1073745226.db2.gz MKRZCXRLEACLKI-MRXNPFEDSA-N 1 0 382.505 -0.416 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418979844 1073744713 /nfs/dbraw/zinc/74/47/13/1073744713.db2.gz OCRQRHFZSRTZAP-DOMZBBRYSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418979845 1073744906 /nfs/dbraw/zinc/74/49/06/1073744906.db2.gz OCRQRHFZSRTZAP-IUODEOHRSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418979846 1073744813 /nfs/dbraw/zinc/74/48/13/1073744813.db2.gz OCRQRHFZSRTZAP-SWLSCSKDSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418979847 1073744779 /nfs/dbraw/zinc/74/47/79/1073744779.db2.gz OCRQRHFZSRTZAP-WFASDCNBSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000418980362 1073745285 /nfs/dbraw/zinc/74/52/85/1073745285.db2.gz PACVZMHJEOUHTO-GASCZTMLSA-N 1 0 394.497 -0.046 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000418980803 1073744762 /nfs/dbraw/zinc/74/47/62/1073744762.db2.gz PTGVEVPZTVJGJS-HIFRSBDPSA-N 1 0 380.470 -0.579 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000418981848 1073745237 /nfs/dbraw/zinc/74/52/37/1073745237.db2.gz QSAAUYARPDRQJX-ZBFHGGJFSA-N 1 0 394.497 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000418981922 1073745045 /nfs/dbraw/zinc/74/50/45/1073745045.db2.gz QWXKPNGEXGIQLR-UHFFFAOYSA-N 1 0 382.486 -0.189 20 0 GBADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418981968 1073745356 /nfs/dbraw/zinc/74/53/56/1073745356.db2.gz RBTCRXXDUVITAR-INIZCTEOSA-N 1 0 384.440 -0.627 20 0 GBADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418981969 1073744967 /nfs/dbraw/zinc/74/49/67/1073744967.db2.gz RBTCRXXDUVITAR-MRXNPFEDSA-N 1 0 384.440 -0.627 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000418982404 1073745174 /nfs/dbraw/zinc/74/51/74/1073745174.db2.gz RVVSLYGGIUWPPN-CABCVRRESA-N 1 0 394.497 -0.046 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000418982679 1073746530 /nfs/dbraw/zinc/74/65/30/1073746530.db2.gz RXULVENTPJKGFD-CYBMUJFWSA-N 1 0 382.486 -0.190 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000418982680 1073745952 /nfs/dbraw/zinc/74/59/52/1073745952.db2.gz RXULVENTPJKGFD-ZDUSSCGKSA-N 1 0 382.486 -0.190 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000418984293 1073746720 /nfs/dbraw/zinc/74/67/20/1073746720.db2.gz VETCKQKJTJCDAW-AWEZNQCLSA-N 1 0 382.486 -0.061 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000418984295 1073746205 /nfs/dbraw/zinc/74/62/05/1073746205.db2.gz VETCKQKJTJCDAW-CQSZACIVSA-N 1 0 382.486 -0.061 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000418984846 1073745428 /nfs/dbraw/zinc/74/54/28/1073745428.db2.gz VSUFZAVDAWEVFY-BETUJISGSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000418984851 1073745307 /nfs/dbraw/zinc/74/53/07/1073745307.db2.gz VSUFZAVDAWEVFY-CHWSQXEVSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000418984855 1073745113 /nfs/dbraw/zinc/74/51/13/1073745113.db2.gz VSUFZAVDAWEVFY-STQMWFEESA-N 1 0 382.486 -0.190 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000418985355 1073745453 /nfs/dbraw/zinc/74/54/53/1073745453.db2.gz WMCNNZFUSDYWOW-GASCZTMLSA-N 1 0 394.497 -0.333 20 0 GBADRO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C12CCC2 ZINC000418986038 1073745374 /nfs/dbraw/zinc/74/53/74/1073745374.db2.gz OGRZTGMIGHSQNF-QLFBSQMISA-N 1 0 380.489 -0.094 20 0 GBADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C12CCC2 ZINC000418986040 1073745100 /nfs/dbraw/zinc/74/51/00/1073745100.db2.gz OGRZTGMIGHSQNF-RBSFLKMASA-N 1 0 380.489 -0.094 20 0 GBADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C12CCC2 ZINC000418986042 1073745304 /nfs/dbraw/zinc/74/53/04/1073745304.db2.gz OGRZTGMIGHSQNF-RRFJBIMHSA-N 1 0 380.489 -0.094 20 0 GBADRO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C12CCC2 ZINC000418986044 1073745393 /nfs/dbraw/zinc/74/53/93/1073745393.db2.gz OGRZTGMIGHSQNF-SOUVJXGZSA-N 1 0 380.489 -0.094 20 0 GBADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418987190 1073746752 /nfs/dbraw/zinc/74/67/52/1073746752.db2.gz YXHDMWOHOKIQHL-HRCADAONSA-N 1 0 380.489 -0.271 20 0 GBADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418987197 1073746466 /nfs/dbraw/zinc/74/64/66/1073746466.db2.gz YXHDMWOHOKIQHL-OAGGEKHMSA-N 1 0 380.489 -0.271 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000418987420 1073745069 /nfs/dbraw/zinc/74/50/69/1073745069.db2.gz IADMEJALTKQTDU-ARFHVFGLSA-N 1 0 382.505 -0.120 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000418987421 1073745217 /nfs/dbraw/zinc/74/52/17/1073745217.db2.gz IADMEJALTKQTDU-BZUAXINKSA-N 1 0 382.505 -0.120 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000418987422 1073746307 /nfs/dbraw/zinc/74/63/07/1073746307.db2.gz IADMEJALTKQTDU-HRCADAONSA-N 1 0 382.505 -0.120 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000418987423 1073746582 /nfs/dbraw/zinc/74/65/82/1073746582.db2.gz IADMEJALTKQTDU-OWCLPIDISA-N 1 0 382.505 -0.120 20 0 GBADRO Cc1ccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000418989834 1073746373 /nfs/dbraw/zinc/74/63/73/1073746373.db2.gz KNBLIVBTXWGVOP-INIZCTEOSA-N 1 0 387.484 -0.281 20 0 GBADRO Cc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000418989835 1073745970 /nfs/dbraw/zinc/74/59/70/1073745970.db2.gz KNBLIVBTXWGVOP-MRXNPFEDSA-N 1 0 387.484 -0.281 20 0 GBADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000418990947 1073746661 /nfs/dbraw/zinc/74/66/61/1073746661.db2.gz DBPLYAUJAWPPLU-INIZCTEOSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000418990953 1073746353 /nfs/dbraw/zinc/74/63/53/1073746353.db2.gz DBPLYAUJAWPPLU-MRXNPFEDSA-N 1 0 379.505 -0.599 20 0 GBADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000418991027 1073746546 /nfs/dbraw/zinc/74/65/46/1073746546.db2.gz XEOBNDYTBAPGTF-CVEARBPZSA-N 1 0 379.505 -0.743 20 0 GBADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000418991028 1073745907 /nfs/dbraw/zinc/74/59/07/1073745907.db2.gz XEOBNDYTBAPGTF-HOTGVXAUSA-N 1 0 379.505 -0.743 20 0 GBADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000418991030 1073746057 /nfs/dbraw/zinc/74/60/57/1073746057.db2.gz XEOBNDYTBAPGTF-HZPDHXFCSA-N 1 0 379.505 -0.743 20 0 GBADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000418991031 1073746164 /nfs/dbraw/zinc/74/61/64/1073746164.db2.gz XEOBNDYTBAPGTF-JKSUJKDBSA-N 1 0 379.505 -0.743 20 0 GBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000418996737 1073747706 /nfs/dbraw/zinc/74/77/06/1073747706.db2.gz KDMLVRRFRMRACU-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000418996739 1073747370 /nfs/dbraw/zinc/74/73/70/1073747370.db2.gz KDMLVRRFRMRACU-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H](C)C[N@@H+]1CCO ZINC000418997984 1073747094 /nfs/dbraw/zinc/74/70/94/1073747094.db2.gz GQKDKMRNXSHMMF-CVEARBPZSA-N 1 0 397.545 -0.091 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000418997986 1073747143 /nfs/dbraw/zinc/74/71/43/1073747143.db2.gz GQKDKMRNXSHMMF-HOTGVXAUSA-N 1 0 397.545 -0.091 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000418997988 1073747834 /nfs/dbraw/zinc/74/78/34/1073747834.db2.gz GQKDKMRNXSHMMF-HZPDHXFCSA-N 1 0 397.545 -0.091 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000418997989 1073747216 /nfs/dbraw/zinc/74/72/16/1073747216.db2.gz GQKDKMRNXSHMMF-JKSUJKDBSA-N 1 0 397.545 -0.091 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419002576 1073748366 /nfs/dbraw/zinc/74/83/66/1073748366.db2.gz CDAFWIIWGTZCMX-GOSISDBHSA-N 1 0 389.500 -0.803 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419002577 1073748632 /nfs/dbraw/zinc/74/86/32/1073748632.db2.gz CDAFWIIWGTZCMX-SFHVURJKSA-N 1 0 389.500 -0.803 20 0 GBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419002610 1073748542 /nfs/dbraw/zinc/74/85/42/1073748542.db2.gz CFBZYTKWCFNZQA-KRWDZBQOSA-N 1 0 378.473 -0.736 20 0 GBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419002612 1073748384 /nfs/dbraw/zinc/74/83/84/1073748384.db2.gz CFBZYTKWCFNZQA-QGZVFWFLSA-N 1 0 378.473 -0.736 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCO1 ZINC000419003779 1073748685 /nfs/dbraw/zinc/74/86/85/1073748685.db2.gz DGXVRJHECAFBGR-DLBZAZTESA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCO1 ZINC000419003780 1073748762 /nfs/dbraw/zinc/74/87/62/1073748762.db2.gz DGXVRJHECAFBGR-IAGOWNOFSA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCO1 ZINC000419003781 1073748469 /nfs/dbraw/zinc/74/84/69/1073748469.db2.gz DGXVRJHECAFBGR-IRXDYDNUSA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCO1 ZINC000419003782 1073748481 /nfs/dbraw/zinc/74/84/81/1073748481.db2.gz DGXVRJHECAFBGR-SJORKVTESA-N 1 0 376.457 -0.638 20 0 GBADRO COc1ccc(OCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419005591 1073748428 /nfs/dbraw/zinc/74/84/28/1073748428.db2.gz GQYBLQTWPQOAPR-AWEZNQCLSA-N 1 0 392.456 -0.496 20 0 GBADRO COc1ccc(OCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419005597 1073748353 /nfs/dbraw/zinc/74/83/53/1073748353.db2.gz GQYBLQTWPQOAPR-CQSZACIVSA-N 1 0 392.456 -0.496 20 0 GBADRO CN(C(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC000419007195 1073748727 /nfs/dbraw/zinc/74/87/27/1073748727.db2.gz UBGGWASWPNANHH-STQMWFEESA-N 1 0 383.832 -0.091 20 0 GBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419007310 1073748401 /nfs/dbraw/zinc/74/84/01/1073748401.db2.gz JMCWTHMKKOJAIR-MSOLQXFVSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419007311 1073748695 /nfs/dbraw/zinc/74/86/95/1073748695.db2.gz JMCWTHMKKOJAIR-QZTJIDSGSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419007312 1073748534 /nfs/dbraw/zinc/74/85/34/1073748534.db2.gz JMCWTHMKKOJAIR-ROUUACIJSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419007313 1073748538 /nfs/dbraw/zinc/74/85/38/1073748538.db2.gz JMCWTHMKKOJAIR-ZWKOTPCHSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NCCCOCC1CC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419009391 1073748487 /nfs/dbraw/zinc/74/84/87/1073748487.db2.gz VZLBUNPMNOMPKY-INIZCTEOSA-N 1 0 380.489 -0.410 20 0 GBADRO O=C(NCCCOCC1CC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419009392 1073748898 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377.464 -0.210 20 0 GBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419011870 1073749855 /nfs/dbraw/zinc/74/98/55/1073749855.db2.gz UEIZXIVWFMGEOQ-MSOLQXFVSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419011871 1073749410 /nfs/dbraw/zinc/74/94/10/1073749410.db2.gz UEIZXIVWFMGEOQ-QZTJIDSGSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419011872 1073749588 /nfs/dbraw/zinc/74/95/88/1073749588.db2.gz UEIZXIVWFMGEOQ-ROUUACIJSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419011873 1073749891 /nfs/dbraw/zinc/74/98/91/1073749891.db2.gz UEIZXIVWFMGEOQ-ZWKOTPCHSA-N 1 0 390.484 -0.411 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012058 1073749479 /nfs/dbraw/zinc/74/94/79/1073749479.db2.gz UQPFZUCNCVNABX-DLBZAZTESA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012059 1073750061 /nfs/dbraw/zinc/75/00/61/1073750061.db2.gz UQPFZUCNCVNABX-IAGOWNOFSA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012060 1073749807 /nfs/dbraw/zinc/74/98/07/1073749807.db2.gz UQPFZUCNCVNABX-IRXDYDNUSA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012061 1073749789 /nfs/dbraw/zinc/74/97/89/1073749789.db2.gz UQPFZUCNCVNABX-SJORKVTESA-N 1 0 376.457 -0.719 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCCO1 ZINC000419012713 1073749647 /nfs/dbraw/zinc/74/96/47/1073749647.db2.gz XECYZSNXMBEQJV-MSOLQXFVSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCCO1 ZINC000419012714 1073749662 /nfs/dbraw/zinc/74/96/62/1073749662.db2.gz XECYZSNXMBEQJV-QZTJIDSGSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCCO1 ZINC000419012715 1073749908 /nfs/dbraw/zinc/74/99/08/1073749908.db2.gz XECYZSNXMBEQJV-ROUUACIJSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCCO1 ZINC000419012716 1073750081 /nfs/dbraw/zinc/75/00/81/1073750081.db2.gz XECYZSNXMBEQJV-ZWKOTPCHSA-N 1 0 390.484 -0.248 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012891 1073750679 /nfs/dbraw/zinc/75/06/79/1073750679.db2.gz XRLNXEZOGASTNI-MSOLQXFVSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012892 1073750851 /nfs/dbraw/zinc/75/08/51/1073750851.db2.gz XRLNXEZOGASTNI-QZTJIDSGSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000419012893 1073751093 /nfs/dbraw/zinc/75/10/93/1073751093.db2.gz XRLNXEZOGASTNI-ROUUACIJSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000419012894 1073751007 /nfs/dbraw/zinc/75/10/07/1073751007.db2.gz XRLNXEZOGASTNI-ZWKOTPCHSA-N 1 0 390.484 -0.329 20 0 GBADRO CC(C)COCCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419013482 1073748952 /nfs/dbraw/zinc/74/89/52/1073748952.db2.gz ZQMLSQSSDGJFTH-INIZCTEOSA-N 1 0 382.505 -0.164 20 0 GBADRO CC(C)COCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419013484 1073748437 /nfs/dbraw/zinc/74/84/37/1073748437.db2.gz ZQMLSQSSDGJFTH-MRXNPFEDSA-N 1 0 382.505 -0.164 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCOc2ccccc2)C1 ZINC000419013879 1073751566 /nfs/dbraw/zinc/75/15/66/1073751566.db2.gz HJAINPYBELUMDC-HNNXBMFYSA-N 1 0 376.457 -0.115 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCOc2ccccc2)C1 ZINC000419013889 1073752016 /nfs/dbraw/zinc/75/20/16/1073752016.db2.gz HJAINPYBELUMDC-OAHLLOKOSA-N 1 0 376.457 -0.115 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000419014976 1073751810 /nfs/dbraw/zinc/75/18/10/1073751810.db2.gz AVWIEXUNWRMBLS-MSOLQXFVSA-N 1 0 384.546 -0.184 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000419014980 1073751995 /nfs/dbraw/zinc/75/19/95/1073751995.db2.gz AVWIEXUNWRMBLS-QZTJIDSGSA-N 1 0 384.546 -0.184 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000419014982 1073751663 /nfs/dbraw/zinc/75/16/63/1073751663.db2.gz AVWIEXUNWRMBLS-ROUUACIJSA-N 1 0 384.546 -0.184 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000419015200 1073751801 /nfs/dbraw/zinc/75/18/01/1073751801.db2.gz AVWIEXUNWRMBLS-ZWKOTPCHSA-N 1 0 384.546 -0.184 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419015355 1073751842 /nfs/dbraw/zinc/75/18/42/1073751842.db2.gz BONGVELEZLNZII-DAYGRLMNSA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419015356 1073751878 /nfs/dbraw/zinc/75/18/78/1073751878.db2.gz BONGVELEZLNZII-HDMKZQKVSA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419015357 1073751851 /nfs/dbraw/zinc/75/18/51/1073751851.db2.gz BONGVELEZLNZII-MPGHIAIKSA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419015359 1073751778 /nfs/dbraw/zinc/75/17/78/1073751778.db2.gz BONGVELEZLNZII-RLFYNMQTSA-N 1 0 384.546 -0.056 20 0 GBADRO Cc1nccn1-c1ccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1F ZINC000419017569 1073752914 /nfs/dbraw/zinc/75/29/14/1073752914.db2.gz BBULAZOPVTUDDD-UHFFFAOYSA-N 1 0 388.447 -0.043 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@@H]1C[NH3+] ZINC000419018603 1073751888 /nfs/dbraw/zinc/75/18/88/1073751888.db2.gz HUEDCMRDNGKKFF-IIDMSEBBSA-N 1 0 384.546 -0.104 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@@H]1C[NH3+] ZINC000419018614 1073751715 /nfs/dbraw/zinc/75/17/15/1073751715.db2.gz HUEDCMRDNGKKFF-RKVPGOIHSA-N 1 0 384.546 -0.104 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@H]1C[NH3+] ZINC000419018617 1073751752 /nfs/dbraw/zinc/75/17/52/1073751752.db2.gz HUEDCMRDNGKKFF-RVKKMQEKSA-N 1 0 384.546 -0.104 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@H]1C[NH3+] ZINC000419018619 1073752031 /nfs/dbraw/zinc/75/20/31/1073752031.db2.gz HUEDCMRDNGKKFF-VKJFTORMSA-N 1 0 384.546 -0.104 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419021096 1073753766 /nfs/dbraw/zinc/75/37/66/1073753766.db2.gz LXRROJBYTVSGQC-CRAIPNDOSA-N 1 0 384.546 -0.089 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000419021097 1073753400 /nfs/dbraw/zinc/75/34/00/1073753400.db2.gz LXRROJBYTVSGQC-MAUKXSAKSA-N 1 0 384.546 -0.089 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419021098 1073753291 /nfs/dbraw/zinc/75/32/91/1073753291.db2.gz LXRROJBYTVSGQC-QAPCUYQASA-N 1 0 384.546 -0.089 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000419021099 1073753244 /nfs/dbraw/zinc/75/32/44/1073753244.db2.gz 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LMEJEMGYXJIFBY-APHBMKBZSA-N 1 0 384.436 -0.015 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000419022666 1073753514 /nfs/dbraw/zinc/75/35/14/1073753514.db2.gz LMEJEMGYXJIFBY-DAXOMENPSA-N 1 0 384.436 -0.015 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000419022670 1073753569 /nfs/dbraw/zinc/75/35/69/1073753569.db2.gz LMEJEMGYXJIFBY-UHOFOFEASA-N 1 0 384.436 -0.015 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000419022673 1073753659 /nfs/dbraw/zinc/75/36/59/1073753659.db2.gz LMEJEMGYXJIFBY-VBNZEHGJSA-N 1 0 384.436 -0.015 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C1CCCC1 ZINC000419023956 1073753358 /nfs/dbraw/zinc/75/33/58/1073753358.db2.gz PPHLEOQRHAALGC-CRAIPNDOSA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C1CCCC1 ZINC000419023958 1073753319 /nfs/dbraw/zinc/75/33/19/1073753319.db2.gz PPHLEOQRHAALGC-MAUKXSAKSA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CCCC1 ZINC000419023959 1073753476 /nfs/dbraw/zinc/75/34/76/1073753476.db2.gz PPHLEOQRHAALGC-QAPCUYQASA-N 1 0 384.546 -0.056 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CCCC1 ZINC000419023960 1073753673 /nfs/dbraw/zinc/75/36/73/1073753673.db2.gz PPHLEOQRHAALGC-YJBOKZPZSA-N 1 0 384.546 -0.056 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419025197 1073754724 /nfs/dbraw/zinc/75/47/24/1073754724.db2.gz MGUQKTRSZNGDOB-BRWVUGGUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419025204 1073754779 /nfs/dbraw/zinc/75/47/79/1073754779.db2.gz MGUQKTRSZNGDOB-IKGGRYGDSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419025205 1073754843 /nfs/dbraw/zinc/75/48/43/1073754843.db2.gz MGUQKTRSZNGDOB-IXDOHACOSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419025593 1073754344 /nfs/dbraw/zinc/75/43/44/1073754344.db2.gz MGUQKTRSZNGDOB-ZACQAIPSSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419025772 1073754752 /nfs/dbraw/zinc/75/47/52/1073754752.db2.gz MWDIUONGLNQVEB-AWEZNQCLSA-N 1 0 382.486 -0.109 20 0 GBADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419025773 1073754262 /nfs/dbraw/zinc/75/42/62/1073754262.db2.gz MWDIUONGLNQVEB-CQSZACIVSA-N 1 0 382.486 -0.109 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000419026632 1073754640 /nfs/dbraw/zinc/75/46/40/1073754640.db2.gz UWAVBUFTPYRENM-IIDMSEBBSA-N 1 0 384.546 -0.246 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000419026633 1073754525 /nfs/dbraw/zinc/75/45/25/1073754525.db2.gz UWAVBUFTPYRENM-RKVPGOIHSA-N 1 0 384.546 -0.246 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C[C@@H]1C[NH3+] ZINC000419026634 1073754143 /nfs/dbraw/zinc/75/41/43/1073754143.db2.gz UWAVBUFTPYRENM-RVKKMQEKSA-N 1 0 384.546 -0.246 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@@H]1C[NH3+] ZINC000419026635 1073754687 /nfs/dbraw/zinc/75/46/87/1073754687.db2.gz UWAVBUFTPYRENM-VKJFTORMSA-N 1 0 384.546 -0.246 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2ccc3c(c2)CCO3)C1 ZINC000419027169 1073754449 /nfs/dbraw/zinc/75/44/49/1073754449.db2.gz CHBQRCMOUUNCKD-INIZCTEOSA-N 1 0 388.468 -0.406 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc3c(c2)CCO3)C1 ZINC000419027170 1073754902 /nfs/dbraw/zinc/75/49/02/1073754902.db2.gz CHBQRCMOUUNCKD-MRXNPFEDSA-N 1 0 388.468 -0.406 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000419027797 1073755622 /nfs/dbraw/zinc/75/56/22/1073755622.db2.gz QJDXMKYYNZVEFN-HNNXBMFYSA-N 1 0 376.457 -0.067 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000419027798 1073755710 /nfs/dbraw/zinc/75/57/10/1073755710.db2.gz QJDXMKYYNZVEFN-OAHLLOKOSA-N 1 0 376.457 -0.067 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(F)c2F)C1 ZINC000419028288 1073755550 /nfs/dbraw/zinc/75/55/50/1073755550.db2.gz DTKLBAOYZXQEKP-CYBMUJFWSA-N 1 0 382.411 -0.063 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(F)c2F)C1 ZINC000419028289 1073755718 /nfs/dbraw/zinc/75/57/18/1073755718.db2.gz DTKLBAOYZXQEKP-ZDUSSCGKSA-N 1 0 382.411 -0.063 20 0 GBADRO CCCN(C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000419029127 1073756614 /nfs/dbraw/zinc/75/66/14/1073756614.db2.gz YCZOCHZZHUAZKQ-CRAIPNDOSA-N 1 0 384.546 -0.089 20 0 GBADRO CCCN(C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000419029128 1073756251 /nfs/dbraw/zinc/75/62/51/1073756251.db2.gz YCZOCHZZHUAZKQ-MAUKXSAKSA-N 1 0 384.546 -0.089 20 0 GBADRO CCCN(C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000419029129 1073756364 /nfs/dbraw/zinc/75/63/64/1073756364.db2.gz YCZOCHZZHUAZKQ-QAPCUYQASA-N 1 0 384.546 -0.089 20 0 GBADRO CCCN(C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000419029130 1073756565 /nfs/dbraw/zinc/75/65/65/1073756565.db2.gz YCZOCHZZHUAZKQ-YJBOKZPZSA-N 1 0 384.546 -0.089 20 0 GBADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419030017 1073756309 /nfs/dbraw/zinc/75/63/09/1073756309.db2.gz ZMQMKENIDDAJGZ-DAYGRLMNSA-N 1 0 382.530 -0.337 20 0 GBADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419030018 1073756471 /nfs/dbraw/zinc/75/64/71/1073756471.db2.gz ZMQMKENIDDAJGZ-RVKKMQEKSA-N 1 0 382.530 -0.337 20 0 GBADRO CC(C)OC(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419031171 1073757162 /nfs/dbraw/zinc/75/71/62/1073757162.db2.gz UIPWVPYWZULOHO-AWEZNQCLSA-N 1 0 382.461 -0.885 20 0 GBADRO CC(C)OC(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419031172 1073757205 /nfs/dbraw/zinc/75/72/05/1073757205.db2.gz UIPWVPYWZULOHO-CQSZACIVSA-N 1 0 382.461 -0.885 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000419031600 1073757510 /nfs/dbraw/zinc/75/75/10/1073757510.db2.gz AGLADIGSEGZMGS-HNNXBMFYSA-N 1 0 390.488 -0.390 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000419031601 1073757428 /nfs/dbraw/zinc/75/74/28/1073757428.db2.gz AGLADIGSEGZMGS-OAHLLOKOSA-N 1 0 390.488 -0.390 20 0 GBADRO COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000419032305 1073756291 /nfs/dbraw/zinc/75/62/91/1073756291.db2.gz KGBJWAGEYYSRFF-DZGCQCFKSA-N 1 0 395.481 -0.139 20 0 GBADRO COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000419032315 1073756326 /nfs/dbraw/zinc/75/63/26/1073756326.db2.gz KGBJWAGEYYSRFF-HIFRSBDPSA-N 1 0 395.481 -0.139 20 0 GBADRO COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000419032318 1073756393 /nfs/dbraw/zinc/75/63/93/1073756393.db2.gz KGBJWAGEYYSRFF-UKRRQHHQSA-N 1 0 395.481 -0.139 20 0 GBADRO COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000419032320 1073756569 /nfs/dbraw/zinc/75/65/69/1073756569.db2.gz KGBJWAGEYYSRFF-ZFWWWQNUSA-N 1 0 395.481 -0.139 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419032710 1073758242 /nfs/dbraw/zinc/75/82/42/1073758242.db2.gz KKCCGASWSNBKOK-AWEZNQCLSA-N 1 0 377.420 -0.931 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419032711 1073758078 /nfs/dbraw/zinc/75/80/78/1073758078.db2.gz KKCCGASWSNBKOK-CQSZACIVSA-N 1 0 377.420 -0.931 20 0 GBADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000419034036 1073757073 /nfs/dbraw/zinc/75/70/73/1073757073.db2.gz YYZYTANARQKHCT-UHFFFAOYSA-N 1 0 382.486 -0.237 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419034262 1073757114 /nfs/dbraw/zinc/75/71/14/1073757114.db2.gz MVWXFBVVHQQGII-CYBMUJFWSA-N 1 0 392.522 -0.775 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419034263 1073757294 /nfs/dbraw/zinc/75/72/94/1073757294.db2.gz MVWXFBVVHQQGII-ZDUSSCGKSA-N 1 0 392.522 -0.775 20 0 GBADRO O=C(CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCc2ccccc21 ZINC000419034312 1073756994 /nfs/dbraw/zinc/75/69/94/1073756994.db2.gz NCTJQJDVAPAKRN-UHFFFAOYSA-N 1 0 387.484 -0.507 20 0 GBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000419034387 1073756931 /nfs/dbraw/zinc/75/69/31/1073756931.db2.gz MWMNBLNXZAIHCU-CYBMUJFWSA-N 1 0 398.485 -0.952 20 0 GBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000419034390 1073757534 /nfs/dbraw/zinc/75/75/34/1073757534.db2.gz MWMNBLNXZAIHCU-ZDUSSCGKSA-N 1 0 398.485 -0.952 20 0 GBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419035112 1073758199 /nfs/dbraw/zinc/75/81/99/1073758199.db2.gz YWOOPKVBZKBTSM-BFHYXJOUSA-N 1 0 384.436 -0.097 20 0 GBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419035113 1073758192 /nfs/dbraw/zinc/75/81/92/1073758192.db2.gz YWOOPKVBZKBTSM-HZSPNIEDSA-N 1 0 384.436 -0.097 20 0 GBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419035114 1073758175 /nfs/dbraw/zinc/75/81/75/1073758175.db2.gz YWOOPKVBZKBTSM-MELADBBJSA-N 1 0 384.436 -0.097 20 0 GBADRO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419035115 1073757933 /nfs/dbraw/zinc/75/79/33/1073757933.db2.gz YWOOPKVBZKBTSM-MGPQQGTHSA-N 1 0 384.436 -0.097 20 0 GBADRO CC(C)OC(=O)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419035155 1073757364 /nfs/dbraw/zinc/75/73/64/1073757364.db2.gz ZAYRHCRQZKWGIK-LLVKDONJSA-N 1 0 382.383 -0.603 20 0 GBADRO CC(C)OC(=O)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419035160 1073757046 /nfs/dbraw/zinc/75/70/46/1073757046.db2.gz ZAYRHCRQZKWGIK-NSHDSACASA-N 1 0 382.383 -0.603 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000419035827 1073757983 /nfs/dbraw/zinc/75/79/83/1073757983.db2.gz AQFYLRLDWCSGHZ-UHFFFAOYSA-N 1 0 384.502 -0.037 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000419035962 1073757903 /nfs/dbraw/zinc/75/79/03/1073757903.db2.gz FUIIVAMOPMZXHC-INIZCTEOSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000419035963 1073758123 /nfs/dbraw/zinc/75/81/23/1073758123.db2.gz FUIIVAMOPMZXHC-MRXNPFEDSA-N 1 0 398.467 -0.198 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000419038721 1072241040 /nfs/dbraw/zinc/24/10/40/1072241040.db2.gz GFGOTSIFUJWVPO-UHFFFAOYSA-N 1 0 384.502 -0.085 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000419038758 1073759031 /nfs/dbraw/zinc/75/90/31/1073759031.db2.gz TXQNALCPZFHOBN-BHYGNILZSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000419038763 1073758957 /nfs/dbraw/zinc/75/89/57/1073758957.db2.gz TXQNALCPZFHOBN-HYVNUMGLSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000419038765 1073758897 /nfs/dbraw/zinc/75/88/97/1073758897.db2.gz TXQNALCPZFHOBN-PVAVHDDUSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000419038767 1073759004 /nfs/dbraw/zinc/75/90/04/1073759004.db2.gz TXQNALCPZFHOBN-XIRDDKMYSA-N 1 0 388.468 -0.006 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419039140 1073759097 /nfs/dbraw/zinc/75/90/97/1073759097.db2.gz VEPUZXAOLBYNGY-CYBMUJFWSA-N 1 0 392.522 -0.966 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419039145 1073759001 /nfs/dbraw/zinc/75/90/01/1073759001.db2.gz VEPUZXAOLBYNGY-ZDUSSCGKSA-N 1 0 392.522 -0.966 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CCCO1 ZINC000419040007 1073759579 /nfs/dbraw/zinc/75/95/79/1073759579.db2.gz WGSKYPGEUAJTNO-GXTWGEPZSA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CCCO1 ZINC000419040009 1073759500 /nfs/dbraw/zinc/75/95/00/1073759500.db2.gz WGSKYPGEUAJTNO-JSGCOSHPSA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CCCO1 ZINC000419040011 1073759428 /nfs/dbraw/zinc/75/94/28/1073759428.db2.gz WGSKYPGEUAJTNO-OCCSQVGLSA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CCCO1 ZINC000419040013 1073759756 /nfs/dbraw/zinc/75/97/56/1073759756.db2.gz WGSKYPGEUAJTNO-TZMCWYRMSA-N 1 0 378.404 -0.377 20 0 GBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000419040820 1073759447 /nfs/dbraw/zinc/75/94/47/1073759447.db2.gz XHGLGFMEERANJQ-CYBMUJFWSA-N 1 0 398.485 -0.952 20 0 GBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000419040821 1073759514 /nfs/dbraw/zinc/75/95/14/1073759514.db2.gz XHGLGFMEERANJQ-ZDUSSCGKSA-N 1 0 398.485 -0.952 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419040974 1073759906 /nfs/dbraw/zinc/75/99/06/1073759906.db2.gz YGMGMEBQJZUHCD-KBPBESRZSA-N 1 0 392.522 -0.919 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000419040995 1073759489 /nfs/dbraw/zinc/75/94/89/1073759489.db2.gz YGMGMEBQJZUHCD-KGLIPLIRSA-N 1 0 392.522 -0.919 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419040999 1073759620 /nfs/dbraw/zinc/75/96/20/1073759620.db2.gz YGMGMEBQJZUHCD-UONOGXRCSA-N 1 0 392.522 -0.919 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000419041001 1073759481 /nfs/dbraw/zinc/75/94/81/1073759481.db2.gz YGMGMEBQJZUHCD-ZIAGYGMSSA-N 1 0 392.522 -0.919 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419041260 1073759821 /nfs/dbraw/zinc/75/98/21/1073759821.db2.gz YCGONETZPBYKLZ-GXTWGEPZSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419041261 1073759741 /nfs/dbraw/zinc/75/97/41/1073759741.db2.gz YCGONETZPBYKLZ-JSGCOSHPSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419041262 1073759844 /nfs/dbraw/zinc/75/98/44/1073759844.db2.gz YCGONETZPBYKLZ-OCCSQVGLSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419041263 1073759565 /nfs/dbraw/zinc/75/95/65/1073759565.db2.gz YCGONETZPBYKLZ-TZMCWYRMSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCc2ccccc21 ZINC000419041413 1073759937 /nfs/dbraw/zinc/75/99/37/1073759937.db2.gz YYHNZLZMKVUYPK-INIZCTEOSA-N 1 0 388.468 -0.033 20 0 GBADRO O=C(CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCc2ccccc21 ZINC000419041419 1073759875 /nfs/dbraw/zinc/75/98/75/1073759875.db2.gz YYHNZLZMKVUYPK-MRXNPFEDSA-N 1 0 388.468 -0.033 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419041822 1073760465 /nfs/dbraw/zinc/76/04/65/1073760465.db2.gz ZNJVBRCXKSRRGY-AEJSXWLSSA-N 1 0 380.367 -0.505 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419041829 1073760514 /nfs/dbraw/zinc/76/05/14/1073760514.db2.gz ZNJVBRCXKSRRGY-GUBZILKMSA-N 1 0 380.367 -0.505 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000419041831 1073760493 /nfs/dbraw/zinc/76/04/93/1073760493.db2.gz ZNJVBRCXKSRRGY-IVZWLZJFSA-N 1 0 380.367 -0.505 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000419041834 1073760442 /nfs/dbraw/zinc/76/04/42/1073760442.db2.gz ZNJVBRCXKSRRGY-LPEHRKFASA-N 1 0 380.367 -0.505 20 0 GBADRO CN(C(=O)CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419042522 1073759813 /nfs/dbraw/zinc/75/98/13/1073759813.db2.gz LQJCRZOWAFKMLT-AWEZNQCLSA-N 1 0 395.504 -0.793 20 0 GBADRO CN(C(=O)CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419042523 1073759770 /nfs/dbraw/zinc/75/97/70/1073759770.db2.gz LQJCRZOWAFKMLT-CQSZACIVSA-N 1 0 395.504 -0.793 20 0 GBADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(CC[NH3+])CCO)nc12 ZINC000419043953 530348091 /nfs/dbraw/zinc/34/80/91/530348091.db2.gz ORFGLUNMCLEHSB-UHFFFAOYSA-N 1 0 398.261 -0.199 20 0 GBADRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419044037 1073759884 /nfs/dbraw/zinc/75/98/84/1073759884.db2.gz LDCZJQPOENPNOI-OKILXGFUSA-N 1 0 384.436 -0.143 20 0 GBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419044570 1073761181 /nfs/dbraw/zinc/76/11/81/1073761181.db2.gz QBCBSYCSELIIDJ-AWEZNQCLSA-N 1 0 382.486 -0.203 20 0 GBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419044571 1073761171 /nfs/dbraw/zinc/76/11/71/1073761171.db2.gz QBCBSYCSELIIDJ-CQSZACIVSA-N 1 0 382.486 -0.203 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)n1 ZINC000419045571 1073761097 /nfs/dbraw/zinc/76/10/97/1073761097.db2.gz WNUWIWGONSGDSO-HNNXBMFYSA-N 1 0 388.472 -0.813 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)n1 ZINC000419045572 1073761312 /nfs/dbraw/zinc/76/13/12/1073761312.db2.gz WNUWIWGONSGDSO-OAHLLOKOSA-N 1 0 388.472 -0.813 20 0 GBADRO COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000419047075 1073761894 /nfs/dbraw/zinc/76/18/94/1073761894.db2.gz RILKVLICDNEPAB-DOTOQJQBSA-N 1 0 389.500 -0.470 20 0 GBADRO COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000419047080 1073762062 /nfs/dbraw/zinc/76/20/62/1073762062.db2.gz RILKVLICDNEPAB-NVXWUHKLSA-N 1 0 389.500 -0.470 20 0 GBADRO COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000419047082 1073762033 /nfs/dbraw/zinc/76/20/33/1073762033.db2.gz RILKVLICDNEPAB-RDJZCZTQSA-N 1 0 389.500 -0.470 20 0 GBADRO COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000419047084 1073762098 /nfs/dbraw/zinc/76/20/98/1073762098.db2.gz RILKVLICDNEPAB-WBVHZDCISA-N 1 0 389.500 -0.470 20 0 GBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000419047339 1073761433 /nfs/dbraw/zinc/76/14/33/1073761433.db2.gz XWUIUXHHTNIMCG-CYBMUJFWSA-N 1 0 384.502 -0.052 20 0 GBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000419047340 1073760905 /nfs/dbraw/zinc/76/09/05/1073760905.db2.gz XWUIUXHHTNIMCG-ZDUSSCGKSA-N 1 0 384.502 -0.052 20 0 GBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000419047721 1073761069 /nfs/dbraw/zinc/76/10/69/1073761069.db2.gz YSDMIBAORXMULN-UHFFFAOYSA-N 1 0 382.486 -0.331 20 0 GBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000419048155 1073760964 /nfs/dbraw/zinc/76/09/64/1073760964.db2.gz AUCAIMRORQKJHO-KRWDZBQOSA-N 1 0 387.484 -0.766 20 0 GBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000419048156 1073761335 /nfs/dbraw/zinc/76/13/35/1073761335.db2.gz AUCAIMRORQKJHO-QGZVFWFLSA-N 1 0 387.484 -0.766 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000419048302 1073761980 /nfs/dbraw/zinc/76/19/80/1073761980.db2.gz ZXEVIWFGMPBLNA-UHFFFAOYSA-N 1 0 384.502 -0.037 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1=O ZINC000419049409 1073761954 /nfs/dbraw/zinc/76/19/54/1073761954.db2.gz CHOOGYZELXPCMJ-KBPBESRZSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1=O ZINC000419049410 1073761742 /nfs/dbraw/zinc/76/17/42/1073761742.db2.gz CHOOGYZELXPCMJ-KGLIPLIRSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1=O ZINC000419049411 1073761774 /nfs/dbraw/zinc/76/17/74/1073761774.db2.gz CHOOGYZELXPCMJ-UONOGXRCSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1=O ZINC000419049412 1073762119 /nfs/dbraw/zinc/76/21/19/1073762119.db2.gz CHOOGYZELXPCMJ-ZIAGYGMSSA-N 1 0 390.440 -0.589 20 0 GBADRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419049590 1073764207 /nfs/dbraw/zinc/76/42/07/1073764207.db2.gz XKPXXNGOZGCTBE-CJNGLKHVSA-N 1 0 384.436 -0.001 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419050046 1073762933 /nfs/dbraw/zinc/76/29/33/1073762933.db2.gz DCVOLIWTDFWBMQ-CYBMUJFWSA-N 1 0 386.811 -0.520 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419050052 1073762943 /nfs/dbraw/zinc/76/29/43/1073762943.db2.gz DCVOLIWTDFWBMQ-ZDUSSCGKSA-N 1 0 386.811 -0.520 20 0 GBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2=O)cc1 ZINC000419050382 1073762615 /nfs/dbraw/zinc/76/26/15/1073762615.db2.gz DKWFKXZGFTZMDV-DLBZAZTESA-N 1 0 388.468 -0.293 20 0 GBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2=O)cc1 ZINC000419050384 1073762655 /nfs/dbraw/zinc/76/26/55/1073762655.db2.gz DKWFKXZGFTZMDV-IAGOWNOFSA-N 1 0 388.468 -0.293 20 0 GBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2=O)cc1 ZINC000419050386 1073762607 /nfs/dbraw/zinc/76/26/07/1073762607.db2.gz DKWFKXZGFTZMDV-IRXDYDNUSA-N 1 0 388.468 -0.293 20 0 GBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2=O)cc1 ZINC000419050389 1073762500 /nfs/dbraw/zinc/76/25/00/1073762500.db2.gz DKWFKXZGFTZMDV-SJORKVTESA-N 1 0 388.468 -0.293 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCCO1 ZINC000419050454 1073763342 /nfs/dbraw/zinc/76/33/42/1073763342.db2.gz DOLNXIULDOUKLO-BXUZGUMPSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCCO1 ZINC000419050455 1073763321 /nfs/dbraw/zinc/76/33/21/1073763321.db2.gz DOLNXIULDOUKLO-FZMZJTMJSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCCO1 ZINC000419050456 1073763641 /nfs/dbraw/zinc/76/36/41/1073763641.db2.gz DOLNXIULDOUKLO-RISCZKNCSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCCO1 ZINC000419050457 1073763370 /nfs/dbraw/zinc/76/33/70/1073763370.db2.gz DOLNXIULDOUKLO-SMDDNHRTSA-N 1 0 396.394 -0.238 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000419050757 1073765412 /nfs/dbraw/zinc/76/54/12/1073765412.db2.gz DTBPCXXZUWHFTC-CYBMUJFWSA-N 1 0 378.429 -0.731 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000419050759 1073764986 /nfs/dbraw/zinc/76/49/86/1073764986.db2.gz DTBPCXXZUWHFTC-ZDUSSCGKSA-N 1 0 378.429 -0.731 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419050833 1073764356 /nfs/dbraw/zinc/76/43/56/1073764356.db2.gz DWYQBUWZOSAMEB-CYBMUJFWSA-N 1 0 386.811 -0.520 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419050835 1073764199 /nfs/dbraw/zinc/76/41/99/1073764199.db2.gz DWYQBUWZOSAMEB-ZDUSSCGKSA-N 1 0 386.811 -0.520 20 0 GBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2=O)cc1 ZINC000419051224 1073764162 /nfs/dbraw/zinc/76/41/62/1073764162.db2.gz FMFZRCIEBCOWRY-DLBZAZTESA-N 1 0 388.468 -0.212 20 0 GBADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2=O)cc1 ZINC000419051225 1073764431 /nfs/dbraw/zinc/76/44/31/1073764431.db2.gz FMFZRCIEBCOWRY-IAGOWNOFSA-N 1 0 388.468 -0.212 20 0 GBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2=O)cc1 ZINC000419051226 1073764439 /nfs/dbraw/zinc/76/44/39/1073764439.db2.gz FMFZRCIEBCOWRY-IRXDYDNUSA-N 1 0 388.468 -0.212 20 0 GBADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2=O)cc1 ZINC000419051227 1073764523 /nfs/dbraw/zinc/76/45/23/1073764523.db2.gz FMFZRCIEBCOWRY-SJORKVTESA-N 1 0 388.468 -0.212 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051233 1073764487 /nfs/dbraw/zinc/76/44/87/1073764487.db2.gz FNJNAERMEVDAHN-KBPBESRZSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051234 1073764503 /nfs/dbraw/zinc/76/45/03/1073764503.db2.gz FNJNAERMEVDAHN-KGLIPLIRSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051235 1073764185 /nfs/dbraw/zinc/76/41/85/1073764185.db2.gz FNJNAERMEVDAHN-UONOGXRCSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419051236 1073764083 /nfs/dbraw/zinc/76/40/83/1073764083.db2.gz FNJNAERMEVDAHN-ZIAGYGMSSA-N 1 0 380.832 -0.334 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000419051542 1073765035 /nfs/dbraw/zinc/76/50/35/1073765035.db2.gz GATOMKSKEKBCJW-KBPBESRZSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1=O ZINC000419051543 1073765319 /nfs/dbraw/zinc/76/53/19/1073765319.db2.gz GATOMKSKEKBCJW-KGLIPLIRSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000419051544 1073765081 /nfs/dbraw/zinc/76/50/81/1073765081.db2.gz GATOMKSKEKBCJW-UONOGXRCSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1=O ZINC000419051545 1073764908 /nfs/dbraw/zinc/76/49/08/1073764908.db2.gz GATOMKSKEKBCJW-ZIAGYGMSSA-N 1 0 390.440 -0.507 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419052258 1073765160 /nfs/dbraw/zinc/76/51/60/1073765160.db2.gz HBGGIPRJEPYJFW-HNNXBMFYSA-N 1 0 380.420 -0.605 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000419052261 1073765008 /nfs/dbraw/zinc/76/50/08/1073765008.db2.gz HBGGIPRJEPYJFW-OAHLLOKOSA-N 1 0 380.420 -0.605 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419052269 1073765020 /nfs/dbraw/zinc/76/50/20/1073765020.db2.gz HCVCQOUFKDXNBX-HNNXBMFYSA-N 1 0 393.875 -0.417 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419052270 1073765342 /nfs/dbraw/zinc/76/53/42/1073765342.db2.gz HCVCQOUFKDXNBX-OAHLLOKOSA-N 1 0 393.875 -0.417 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000419052585 1073763616 /nfs/dbraw/zinc/76/36/16/1073763616.db2.gz HTAFOPRTIQJGAJ-INIZCTEOSA-N 1 0 376.457 -0.436 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000419052586 1073763519 /nfs/dbraw/zinc/76/35/19/1073763519.db2.gz HTAFOPRTIQJGAJ-MRXNPFEDSA-N 1 0 376.457 -0.436 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CCO1 ZINC000419052631 1073763441 /nfs/dbraw/zinc/76/34/41/1073763441.db2.gz IAFAADMJVFTZIN-DLBZAZTESA-N 1 0 388.468 -0.478 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CCO1 ZINC000419052632 1073763676 /nfs/dbraw/zinc/76/36/76/1073763676.db2.gz IAFAADMJVFTZIN-IAGOWNOFSA-N 1 0 388.468 -0.478 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CCO1 ZINC000419052633 1073763692 /nfs/dbraw/zinc/76/36/92/1073763692.db2.gz IAFAADMJVFTZIN-IRXDYDNUSA-N 1 0 388.468 -0.478 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CCO1 ZINC000419052634 1073763527 /nfs/dbraw/zinc/76/35/27/1073763527.db2.gz IAFAADMJVFTZIN-SJORKVTESA-N 1 0 388.468 -0.478 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053114 1073763672 /nfs/dbraw/zinc/76/36/72/1073763672.db2.gz IVIZDFGFGLFDPD-BXUZGUMPSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053118 1073763351 /nfs/dbraw/zinc/76/33/51/1073763351.db2.gz IVIZDFGFGLFDPD-FZMZJTMJSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053122 1073763689 /nfs/dbraw/zinc/76/36/89/1073763689.db2.gz IVIZDFGFGLFDPD-RISCZKNCSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419053125 1073763685 /nfs/dbraw/zinc/76/36/85/1073763685.db2.gz IVIZDFGFGLFDPD-SMDDNHRTSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053179 1073763662 /nfs/dbraw/zinc/76/36/62/1073763662.db2.gz IYCIBBLJDQDQSP-DLBZAZTESA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053181 1073763418 /nfs/dbraw/zinc/76/34/18/1073763418.db2.gz IYCIBBLJDQDQSP-IAGOWNOFSA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053182 1073763503 /nfs/dbraw/zinc/76/35/03/1073763503.db2.gz IYCIBBLJDQDQSP-IRXDYDNUSA-N 1 0 388.468 -0.559 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000419053184 1073763564 /nfs/dbraw/zinc/76/35/64/1073763564.db2.gz IYCIBBLJDQDQSP-SJORKVTESA-N 1 0 388.468 -0.559 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419053925 1073764166 /nfs/dbraw/zinc/76/41/66/1073764166.db2.gz KCAGSKSBQQFDDC-AWEZNQCLSA-N 1 0 382.848 -0.086 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000419053927 1073764579 /nfs/dbraw/zinc/76/45/79/1073764579.db2.gz KCAGSKSBQQFDDC-CQSZACIVSA-N 1 0 382.848 -0.086 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055397 530348148 /nfs/dbraw/zinc/34/81/48/530348148.db2.gz JLFWEGROVXDIRS-NEPJUHHUSA-N 1 0 375.491 -0.453 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055398 530348193 /nfs/dbraw/zinc/34/81/93/530348193.db2.gz JLFWEGROVXDIRS-NWDGAFQWSA-N 1 0 375.491 -0.453 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055399 530347980 /nfs/dbraw/zinc/34/79/80/530347980.db2.gz JLFWEGROVXDIRS-RYUDHWBXSA-N 1 0 375.491 -0.453 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000419055400 530348170 /nfs/dbraw/zinc/34/81/70/530348170.db2.gz JLFWEGROVXDIRS-VXGBXAGGSA-N 1 0 375.491 -0.453 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419056084 1073765893 /nfs/dbraw/zinc/76/58/93/1073765893.db2.gz KTOIQLUPVDPWFK-OAHLLOKOSA-N 1 0 377.420 -0.931 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)s1 ZINC000419058369 530348133 /nfs/dbraw/zinc/34/81/33/530348133.db2.gz BGELZNLBLYKLKI-LLVKDONJSA-N 1 0 388.515 -0.046 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)s1 ZINC000419058370 530348005 /nfs/dbraw/zinc/34/80/05/530348005.db2.gz BGELZNLBLYKLKI-NSHDSACASA-N 1 0 388.515 -0.046 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419058459 1073765169 /nfs/dbraw/zinc/76/51/69/1073765169.db2.gz QDJDNALQGICBDH-CABCVRRESA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419058460 1073765379 /nfs/dbraw/zinc/76/53/79/1073765379.db2.gz QDJDNALQGICBDH-GJZGRUSLSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419058461 1073764937 /nfs/dbraw/zinc/76/49/37/1073764937.db2.gz QDJDNALQGICBDH-HUUCEWRRSA-N 1 0 378.404 -0.458 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419058462 1073765014 /nfs/dbraw/zinc/76/50/14/1073765014.db2.gz QDJDNALQGICBDH-LSDHHAIUSA-N 1 0 378.404 -0.458 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCO1 ZINC000419060445 1073767947 /nfs/dbraw/zinc/76/79/47/1073767947.db2.gz DUDTZCAHCTUJOQ-GFCCVEGCSA-N 1 0 383.832 -0.044 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CCO1 ZINC000419060450 1073767648 /nfs/dbraw/zinc/76/76/48/1073767648.db2.gz DUDTZCAHCTUJOQ-LBPRGKRZSA-N 1 0 383.832 -0.044 20 0 GBADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419060480 1073767805 /nfs/dbraw/zinc/76/78/05/1073767805.db2.gz DWSFOQYOPLUHCG-GFCCVEGCSA-N 1 0 383.832 -0.126 20 0 GBADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419060482 1073767717 /nfs/dbraw/zinc/76/77/17/1073767717.db2.gz DWSFOQYOPLUHCG-LBPRGKRZSA-N 1 0 383.832 -0.126 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1=O ZINC000419061097 1073767934 /nfs/dbraw/zinc/76/79/34/1073767934.db2.gz LLEQDWUQSZHDGU-ILXRZTDVSA-N 1 0 386.452 -0.015 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1=O ZINC000419061099 1073767843 /nfs/dbraw/zinc/76/78/43/1073767843.db2.gz LLEQDWUQSZHDGU-KFWWJZLASA-N 1 0 386.452 -0.015 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1=O ZINC000419061100 1073767769 /nfs/dbraw/zinc/76/77/69/1073767769.db2.gz LLEQDWUQSZHDGU-KKUMJFAQSA-N 1 0 386.452 -0.015 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000419061101 1073767780 /nfs/dbraw/zinc/76/77/80/1073767780.db2.gz LLEQDWUQSZHDGU-ZNMIVQPWSA-N 1 0 386.452 -0.015 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 ZINC000419061525 1073767792 /nfs/dbraw/zinc/76/77/92/1073767792.db2.gz LWRVYGVFMOAODM-BXUZGUMPSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 ZINC000419061526 1073767756 /nfs/dbraw/zinc/76/77/56/1073767756.db2.gz LWRVYGVFMOAODM-FZMZJTMJSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 ZINC000419061527 1073767566 /nfs/dbraw/zinc/76/75/66/1073767566.db2.gz LWRVYGVFMOAODM-RISCZKNCSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 ZINC000419061528 1073767457 /nfs/dbraw/zinc/76/74/57/1073767457.db2.gz LWRVYGVFMOAODM-SMDDNHRTSA-N 1 0 398.822 -0.113 20 0 GBADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419061553 1073768541 /nfs/dbraw/zinc/76/85/41/1073768541.db2.gz MAGNHMYPIDBARA-UHIISALHSA-N 1 0 378.379 -0.136 20 0 GBADRO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419061554 1073768799 /nfs/dbraw/zinc/76/87/99/1073768799.db2.gz MAGNHMYPIDBARA-WDMOLILDSA-N 1 0 378.379 -0.136 20 0 GBADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C(=O)NCCN1CC[NH2+]CC1 ZINC000419061967 1073766871 /nfs/dbraw/zinc/76/68/71/1073766871.db2.gz GIMOGPXKCIQPAX-UHFFFAOYSA-N 1 0 396.875 -0.209 20 0 GBADRO C[C@@H](NC(=O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C(=O)N(C)C ZINC000419061975 1073766983 /nfs/dbraw/zinc/76/69/83/1073766983.db2.gz GJMLLVLGBMBBIH-BMFZPTHFSA-N 1 0 386.452 -0.304 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C(=O)N(C)C ZINC000419061976 1073766581 /nfs/dbraw/zinc/76/65/81/1073766581.db2.gz GJMLLVLGBMBBIH-CWRNSKLLSA-N 1 0 386.452 -0.304 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419062330 1073766721 /nfs/dbraw/zinc/76/67/21/1073766721.db2.gz GZVOPRABGBMQGO-CAOSSQGBSA-N 1 0 384.521 -0.045 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419062335 1073766897 /nfs/dbraw/zinc/76/68/97/1073766897.db2.gz GZVOPRABGBMQGO-QKPAOTATSA-N 1 0 384.521 -0.045 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419062336 1073766843 /nfs/dbraw/zinc/76/68/43/1073766843.db2.gz GZVOPRABGBMQGO-XUWVNRHRSA-N 1 0 384.521 -0.045 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419062337 1073766536 /nfs/dbraw/zinc/76/65/36/1073766536.db2.gz GZVOPRABGBMQGO-YHUYYLMFSA-N 1 0 384.521 -0.045 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419062512 1073767009 /nfs/dbraw/zinc/76/70/09/1073767009.db2.gz GOVWMTGTDXYQGY-UHFFFAOYSA-N 1 0 382.486 -0.438 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000419062924 1073768630 /nfs/dbraw/zinc/76/86/30/1073768630.db2.gz AYNXITFCWSWVRH-GASCZTMLSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000419062926 1073768356 /nfs/dbraw/zinc/76/83/56/1073768356.db2.gz AYNXITFCWSWVRH-GJZGRUSLSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)C[C@@H](C)[NH2+]1 ZINC000419062927 1073768381 /nfs/dbraw/zinc/76/83/81/1073768381.db2.gz AYNXITFCWSWVRH-HUUCEWRRSA-N 1 0 388.468 -0.016 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCO1 ZINC000419063805 1073767791 /nfs/dbraw/zinc/76/77/91/1073767791.db2.gz NWNRDZNIVBEYBN-CABCVRRESA-N 1 0 378.404 -0.771 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCO1 ZINC000419063806 1073767638 /nfs/dbraw/zinc/76/76/38/1073767638.db2.gz NWNRDZNIVBEYBN-GJZGRUSLSA-N 1 0 378.404 -0.771 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCO1 ZINC000419063807 1073767837 /nfs/dbraw/zinc/76/78/37/1073767837.db2.gz NWNRDZNIVBEYBN-HUUCEWRRSA-N 1 0 378.404 -0.771 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCO1 ZINC000419063808 1073767929 /nfs/dbraw/zinc/76/79/29/1073767929.db2.gz NWNRDZNIVBEYBN-LSDHHAIUSA-N 1 0 378.404 -0.771 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 ZINC000419063811 1073767629 /nfs/dbraw/zinc/76/76/29/1073767629.db2.gz NWRAPXYFDROHPD-BXUZGUMPSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 ZINC000419063812 1073767606 /nfs/dbraw/zinc/76/76/06/1073767606.db2.gz NWRAPXYFDROHPD-FZMZJTMJSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 ZINC000419063814 1073767691 /nfs/dbraw/zinc/76/76/91/1073767691.db2.gz NWRAPXYFDROHPD-RISCZKNCSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 ZINC000419063815 1073767963 /nfs/dbraw/zinc/76/79/63/1073767963.db2.gz NWRAPXYFDROHPD-SMDDNHRTSA-N 1 0 398.822 -0.113 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000419064337 1073768770 /nfs/dbraw/zinc/76/87/70/1073768770.db2.gz CCRHMIQYYPHRPO-CHWSQXEVSA-N 1 0 379.413 -0.125 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000419064340 1073768784 /nfs/dbraw/zinc/76/87/84/1073768784.db2.gz CCRHMIQYYPHRPO-OLZOCXBDSA-N 1 0 379.413 -0.125 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000419064341 1073768749 /nfs/dbraw/zinc/76/87/49/1073768749.db2.gz CCRHMIQYYPHRPO-QWHCGFSZSA-N 1 0 379.413 -0.125 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)NCCOc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000419064343 1073768335 /nfs/dbraw/zinc/76/83/35/1073768335.db2.gz CCRHMIQYYPHRPO-STQMWFEESA-N 1 0 379.413 -0.125 20 0 GBADRO COCC1CCC(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419064548 1073769464 /nfs/dbraw/zinc/76/94/64/1073769464.db2.gz YAVCKNVLVBCYIZ-AQFXKWCLSA-N 1 0 394.516 -0.022 20 0 GBADRO COCC1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419064550 1073769352 /nfs/dbraw/zinc/76/93/52/1073769352.db2.gz YAVCKNVLVBCYIZ-CGZBRXJRSA-N 1 0 394.516 -0.022 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000419064745 1073769396 /nfs/dbraw/zinc/76/93/96/1073769396.db2.gz PHOOKCAEMVKYDV-INIZCTEOSA-N 1 0 376.457 -0.884 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000419064748 1073769411 /nfs/dbraw/zinc/76/94/11/1073769411.db2.gz PHOOKCAEMVKYDV-MRXNPFEDSA-N 1 0 376.457 -0.884 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CCCO1 ZINC000419064982 1073769444 /nfs/dbraw/zinc/76/94/44/1073769444.db2.gz YMKWIUHAOOARHL-CABCVRRESA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CCCO1 ZINC000419064983 1073769205 /nfs/dbraw/zinc/76/92/05/1073769205.db2.gz YMKWIUHAOOARHL-GJZGRUSLSA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CCCO1 ZINC000419064984 1073769550 /nfs/dbraw/zinc/76/95/50/1073769550.db2.gz YMKWIUHAOOARHL-HUUCEWRRSA-N 1 0 378.404 -0.377 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CCCO1 ZINC000419064985 1073769196 /nfs/dbraw/zinc/76/91/96/1073769196.db2.gz YMKWIUHAOOARHL-LSDHHAIUSA-N 1 0 378.404 -0.377 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065190 1073769573 /nfs/dbraw/zinc/76/95/73/1073769573.db2.gz PRRRPPBPWQEYNA-BXUZGUMPSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065192 1073769277 /nfs/dbraw/zinc/76/92/77/1073769277.db2.gz PRRRPPBPWQEYNA-FZMZJTMJSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065193 1073769486 /nfs/dbraw/zinc/76/94/86/1073769486.db2.gz PRRRPPBPWQEYNA-RISCZKNCSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000419065194 1073769328 /nfs/dbraw/zinc/76/93/28/1073769328.db2.gz PRRRPPBPWQEYNA-SMDDNHRTSA-N 1 0 398.822 -0.195 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000419065330 1073769421 /nfs/dbraw/zinc/76/94/21/1073769421.db2.gz DDEZBXXHINRKIM-CYBMUJFWSA-N 1 0 382.486 -0.059 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000419065332 1073769530 /nfs/dbraw/zinc/76/95/30/1073769530.db2.gz DDEZBXXHINRKIM-ZDUSSCGKSA-N 1 0 382.486 -0.059 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC000419065950 1073769454 /nfs/dbraw/zinc/76/94/54/1073769454.db2.gz DREBWHIOLODEHN-UHFFFAOYSA-N 1 0 388.468 -0.014 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066866 1073770247 /nfs/dbraw/zinc/77/02/47/1073770247.db2.gz RFQOCHVOHXALES-GWCFXTLKSA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066867 1073769922 /nfs/dbraw/zinc/76/99/22/1073769922.db2.gz RFQOCHVOHXALES-GXFFZTMASA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066868 1073770418 /nfs/dbraw/zinc/77/04/18/1073770418.db2.gz RFQOCHVOHXALES-MFKMUULPSA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419066869 1073770449 /nfs/dbraw/zinc/77/04/49/1073770449.db2.gz RFQOCHVOHXALES-ZWNOBZJWSA-N 1 0 382.367 -0.709 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000419066870 1073770471 /nfs/dbraw/zinc/77/04/71/1073770471.db2.gz RFTOCDRJSZHRTD-KBPBESRZSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000419066871 1073770265 /nfs/dbraw/zinc/77/02/65/1073770265.db2.gz RFTOCDRJSZHRTD-KGLIPLIRSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000419066872 1073770106 /nfs/dbraw/zinc/77/01/06/1073770106.db2.gz RFTOCDRJSZHRTD-UONOGXRCSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000419066873 1073770493 /nfs/dbraw/zinc/77/04/93/1073770493.db2.gz RFTOCDRJSZHRTD-ZIAGYGMSSA-N 1 0 380.832 -0.252 20 0 GBADRO CN(C(=O)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC000419067685 1073769969 /nfs/dbraw/zinc/76/99/69/1073769969.db2.gz LKQFHNHPTAHFAX-STQMWFEESA-N 1 0 383.832 -0.439 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419067771 1073769978 /nfs/dbraw/zinc/76/99/78/1073769978.db2.gz SHLSOGWCVRPUQI-AWEZNQCLSA-N 1 0 395.410 -0.792 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419067772 1073770043 /nfs/dbraw/zinc/77/00/43/1073770043.db2.gz SHLSOGWCVRPUQI-CQSZACIVSA-N 1 0 395.410 -0.792 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000419068355 1073770500 /nfs/dbraw/zinc/77/05/00/1073770500.db2.gz STHYCELFENKTBF-GWCFXTLKSA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000419068356 1073769911 /nfs/dbraw/zinc/76/99/11/1073769911.db2.gz STHYCELFENKTBF-GXFFZTMASA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000419068357 1073770096 /nfs/dbraw/zinc/77/00/96/1073770096.db2.gz STHYCELFENKTBF-MFKMUULPSA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 ZINC000419068358 1073770239 /nfs/dbraw/zinc/77/02/39/1073770239.db2.gz STHYCELFENKTBF-ZWNOBZJWSA-N 1 0 382.367 -0.628 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419068736 1073771043 /nfs/dbraw/zinc/77/10/43/1073771043.db2.gz TZMDJXDGHZESHQ-CYBMUJFWSA-N 1 0 384.383 -0.462 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000419068741 1073771033 /nfs/dbraw/zinc/77/10/33/1073771033.db2.gz TZMDJXDGHZESHQ-ZDUSSCGKSA-N 1 0 384.383 -0.462 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000419068768 1073770884 /nfs/dbraw/zinc/77/08/84/1073770884.db2.gz IJLIJPQUWILMJH-UHFFFAOYSA-N 1 0 382.486 -0.187 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1=O ZINC000419069643 1073772167 /nfs/dbraw/zinc/77/21/67/1073772167.db2.gz USTLHBSKJKJUTM-CHWSQXEVSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1=O ZINC000419069673 1073771752 /nfs/dbraw/zinc/77/17/52/1073771752.db2.gz USTLHBSKJKJUTM-OLZOCXBDSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1=O ZINC000419069674 1073772128 /nfs/dbraw/zinc/77/21/28/1073772128.db2.gz USTLHBSKJKJUTM-QWHCGFSZSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1=O ZINC000419069676 1073771921 /nfs/dbraw/zinc/77/19/21/1073771921.db2.gz USTLHBSKJKJUTM-STQMWFEESA-N 1 0 376.413 -0.979 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070361 1073771163 /nfs/dbraw/zinc/77/11/63/1073771163.db2.gz VFJUVIASFRBGRJ-BXUZGUMPSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070362 1073771082 /nfs/dbraw/zinc/77/10/82/1073771082.db2.gz VFJUVIASFRBGRJ-FZMZJTMJSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070363 1073771259 /nfs/dbraw/zinc/77/12/59/1073771259.db2.gz VFJUVIASFRBGRJ-RISCZKNCSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000419070364 1073770855 /nfs/dbraw/zinc/77/08/55/1073770855.db2.gz VFJUVIASFRBGRJ-SMDDNHRTSA-N 1 0 398.822 -0.195 20 0 GBADRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419070428 1073770900 /nfs/dbraw/zinc/77/09/00/1073770900.db2.gz KASDGKQYYVHZPH-UHFFFAOYSA-N 1 0 382.486 -0.189 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1=O ZINC000419070737 1073771940 /nfs/dbraw/zinc/77/19/40/1073771940.db2.gz VSFBBAOIJJWLEX-CHWSQXEVSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1=O ZINC000419070743 1073772054 /nfs/dbraw/zinc/77/20/54/1073772054.db2.gz VSFBBAOIJJWLEX-OLZOCXBDSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000419070746 1073771985 /nfs/dbraw/zinc/77/19/85/1073771985.db2.gz VSFBBAOIJJWLEX-QWHCGFSZSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1=O ZINC000419070748 1073771801 /nfs/dbraw/zinc/77/18/01/1073771801.db2.gz VSFBBAOIJJWLEX-STQMWFEESA-N 1 0 376.413 -0.897 20 0 GBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070981 1073772111 /nfs/dbraw/zinc/77/21/11/1073772111.db2.gz LAOQFNDHNZLIBS-CRAIPNDOSA-N 1 0 390.484 -0.290 20 0 GBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070982 1073772088 /nfs/dbraw/zinc/77/20/88/1073772088.db2.gz LAOQFNDHNZLIBS-MAUKXSAKSA-N 1 0 390.484 -0.290 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419071360 1073771348 /nfs/dbraw/zinc/77/13/48/1073771348.db2.gz OVAHBMYDNNQUCE-AWEZNQCLSA-N 1 0 396.513 -0.049 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419071361 1073771099 /nfs/dbraw/zinc/77/10/99/1073771099.db2.gz OVAHBMYDNNQUCE-CQSZACIVSA-N 1 0 396.513 -0.049 20 0 GBADRO C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071383 1073771002 /nfs/dbraw/zinc/77/10/02/1073771002.db2.gz LAOQFNDHNZLIBS-QAPCUYQASA-N 1 0 390.484 -0.290 20 0 GBADRO C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071384 1073770768 /nfs/dbraw/zinc/77/07/68/1073770768.db2.gz LAOQFNDHNZLIBS-YJBOKZPZSA-N 1 0 390.484 -0.290 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419071442 1073771020 /nfs/dbraw/zinc/77/10/20/1073771020.db2.gz LFOIDZYZKOKNMZ-CABCVRRESA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419071443 1073770985 /nfs/dbraw/zinc/77/09/85/1073770985.db2.gz LFOIDZYZKOKNMZ-GJZGRUSLSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)[C@H](C)C[NH2+]1 ZINC000419071444 1073771191 /nfs/dbraw/zinc/77/11/91/1073771191.db2.gz LFOIDZYZKOKNMZ-HUUCEWRRSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000419071446 1073771127 /nfs/dbraw/zinc/77/11/27/1073771127.db2.gz LFOIDZYZKOKNMZ-LSDHHAIUSA-N 1 0 388.468 -0.016 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)s1 ZINC000419071889 530347874 /nfs/dbraw/zinc/34/78/74/530347874.db2.gz OYCPGSGDFZNVPM-UHFFFAOYSA-N 1 0 388.515 -0.173 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419072145 1073772105 /nfs/dbraw/zinc/77/21/05/1073772105.db2.gz AXAKWJCOONCAKG-INIZCTEOSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419072154 1073772039 /nfs/dbraw/zinc/77/20/39/1073772039.db2.gz AXAKWJCOONCAKG-MRXNPFEDSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000419075099 1073772894 /nfs/dbraw/zinc/77/28/94/1073772894.db2.gz OJCLQWOHXFSPLJ-UHFFFAOYSA-N 1 0 382.486 -0.058 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N2CCOCC2)o1 ZINC000419075354 1073771790 /nfs/dbraw/zinc/77/17/90/1073771790.db2.gz MVZYYXHNBIFTLG-OWCLPIDISA-N 1 0 376.457 -0.245 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N2CCOCC2)o1 ZINC000419075356 1073772009 /nfs/dbraw/zinc/77/20/09/1073772009.db2.gz MVZYYXHNBIFTLG-XHSDSOJGSA-N 1 0 376.457 -0.245 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419075384 1073772836 /nfs/dbraw/zinc/77/28/36/1073772836.db2.gz MWSJPVIXUBOLRL-HNNXBMFYSA-N 1 0 375.473 -0.448 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419075391 1073773129 /nfs/dbraw/zinc/77/31/29/1073773129.db2.gz MWSJPVIXUBOLRL-OAHLLOKOSA-N 1 0 375.473 -0.448 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419075795 1073772788 /nfs/dbraw/zinc/77/27/88/1073772788.db2.gz GGQXAYJGYWSCHK-INIZCTEOSA-N 1 0 379.505 -0.695 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419075796 1073772932 /nfs/dbraw/zinc/77/29/32/1073772932.db2.gz GGQXAYJGYWSCHK-MRXNPFEDSA-N 1 0 379.505 -0.695 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419075825 1073772983 /nfs/dbraw/zinc/77/29/83/1073772983.db2.gz GKELXTWPMKKNIQ-INIZCTEOSA-N 1 0 381.521 -0.319 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419075826 1073773027 /nfs/dbraw/zinc/77/30/27/1073773027.db2.gz GKELXTWPMKKNIQ-MRXNPFEDSA-N 1 0 381.521 -0.319 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC[C@H]1c1ccc(F)cc1 ZINC000419075865 1073772699 /nfs/dbraw/zinc/77/26/99/1073772699.db2.gz GSIIKDOJMIVSJQ-LSDHHAIUSA-N 1 0 390.415 -0.266 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076373 1073772956 /nfs/dbraw/zinc/77/29/56/1073772956.db2.gz HLDTVMHWXZHNNQ-INIZCTEOSA-N 1 0 379.505 -0.743 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076374 1073772808 /nfs/dbraw/zinc/77/28/08/1073772808.db2.gz HLDTVMHWXZHNNQ-MRXNPFEDSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076753 1073772022 /nfs/dbraw/zinc/77/20/22/1073772022.db2.gz IHUYTFOQFZSIPU-DOTOQJQBSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076754 1073772232 /nfs/dbraw/zinc/77/22/32/1073772232.db2.gz IHUYTFOQFZSIPU-NVXWUHKLSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076755 1073772156 /nfs/dbraw/zinc/77/21/56/1073772156.db2.gz IHUYTFOQFZSIPU-RDJZCZTQSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419076756 1073772049 /nfs/dbraw/zinc/77/20/49/1073772049.db2.gz IHUYTFOQFZSIPU-WBVHZDCISA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419077044 1073771809 /nfs/dbraw/zinc/77/18/09/1073771809.db2.gz IWPWRSSZSJXWEK-GDBMZVCRSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419077045 1073772162 /nfs/dbraw/zinc/77/21/62/1073772162.db2.gz IWPWRSSZSJXWEK-GOEBONIOSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419077046 1073771765 /nfs/dbraw/zinc/77/17/65/1073771765.db2.gz IWPWRSSZSJXWEK-HOCLYGCPSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419077047 1073771978 /nfs/dbraw/zinc/77/19/78/1073771978.db2.gz IWPWRSSZSJXWEK-ZBFHGGJFSA-N 1 0 379.505 -0.696 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419077753 1073774152 /nfs/dbraw/zinc/77/41/52/1073774152.db2.gz URGUNHXXMXGDPC-AWEZNQCLSA-N 1 0 396.513 -0.049 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419077754 1073774190 /nfs/dbraw/zinc/77/41/90/1073774190.db2.gz URGUNHXXMXGDPC-CQSZACIVSA-N 1 0 396.513 -0.049 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419077783 1073774164 /nfs/dbraw/zinc/77/41/64/1073774164.db2.gz JSRCVPQEKNFGLT-CALCHBBNSA-N 1 0 391.516 -0.600 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419078292 1073774053 /nfs/dbraw/zinc/77/40/53/1073774053.db2.gz KVAKPZZZIXCXBQ-UHFFFAOYSA-N 1 0 381.521 -0.510 20 0 GBADRO O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419078471 1073774015 /nfs/dbraw/zinc/77/40/15/1073774015.db2.gz SSGDQWBVPWJRAM-HNNXBMFYSA-N 1 0 394.497 -0.045 20 0 GBADRO O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419078473 1073773945 /nfs/dbraw/zinc/77/39/45/1073773945.db2.gz SSGDQWBVPWJRAM-OAHLLOKOSA-N 1 0 394.497 -0.045 20 0 GBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419078487 1073773972 /nfs/dbraw/zinc/77/39/72/1073773972.db2.gz LCWIFBDNQUDQDG-DLBZAZTESA-N 1 0 393.532 -0.210 20 0 GBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419078489 1073774175 /nfs/dbraw/zinc/77/41/75/1073774175.db2.gz LCWIFBDNQUDQDG-IAGOWNOFSA-N 1 0 393.532 -0.210 20 0 GBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419078491 1073773877 /nfs/dbraw/zinc/77/38/77/1073773877.db2.gz LCWIFBDNQUDQDG-IRXDYDNUSA-N 1 0 393.532 -0.210 20 0 GBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419078493 1073774124 /nfs/dbraw/zinc/77/41/24/1073774124.db2.gz LCWIFBDNQUDQDG-SJORKVTESA-N 1 0 393.532 -0.210 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000419079047 1073774046 /nfs/dbraw/zinc/77/40/46/1073774046.db2.gz UHWHZVOAFSJZBH-UHFFFAOYSA-N 1 0 382.486 -0.106 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH2+]1 ZINC000419079471 1073774028 /nfs/dbraw/zinc/77/40/28/1073774028.db2.gz MTQATKJZRACBMA-GASCZTMLSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH2+]1 ZINC000419079472 1073774037 /nfs/dbraw/zinc/77/40/37/1073774037.db2.gz MTQATKJZRACBMA-GJZGRUSLSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000419079473 1073773768 /nfs/dbraw/zinc/77/37/68/1073773768.db2.gz MTQATKJZRACBMA-HUUCEWRRSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@H]1C[NH3+] ZINC000419079548 1073774083 /nfs/dbraw/zinc/77/40/83/1073774083.db2.gz NEILENDLSPCELP-DOTOQJQBSA-N 1 0 393.532 -0.510 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@H]1C[NH3+] ZINC000419079549 1073773996 /nfs/dbraw/zinc/77/39/96/1073773996.db2.gz NEILENDLSPCELP-NVXWUHKLSA-N 1 0 393.532 -0.510 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C[NH3+] ZINC000419079550 1073773909 /nfs/dbraw/zinc/77/39/09/1073773909.db2.gz NEILENDLSPCELP-RDJZCZTQSA-N 1 0 393.532 -0.510 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C[NH3+] ZINC000419079551 1073774081 /nfs/dbraw/zinc/77/40/81/1073774081.db2.gz NEILENDLSPCELP-WBVHZDCISA-N 1 0 393.532 -0.510 20 0 GBADRO O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000419079913 1073773203 /nfs/dbraw/zinc/77/32/03/1073773203.db2.gz VZCSNMADDWFOBG-UHFFFAOYSA-N 1 0 394.497 -0.091 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000419080033 1073772683 /nfs/dbraw/zinc/77/26/83/1073772683.db2.gz OFQUJJDMXHDTBS-KRWDZBQOSA-N 1 0 393.532 -0.319 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)C1CCCC1 ZINC000419080034 1073772798 /nfs/dbraw/zinc/77/27/98/1073772798.db2.gz OFQUJJDMXHDTBS-QGZVFWFLSA-N 1 0 393.532 -0.319 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000419080396 1073772707 /nfs/dbraw/zinc/77/27/07/1073772707.db2.gz PFMIJMRBMFEVLX-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000419080397 1073772609 /nfs/dbraw/zinc/77/26/09/1073772609.db2.gz PFMIJMRBMFEVLX-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCN2C(=O)CCC2=O)C2CC3CC(C2)CC1C3 ZINC000419080402 1073773170 /nfs/dbraw/zinc/77/31/70/1073773170.db2.gz PGUHNQLFRSRWKN-UHFFFAOYSA-N 1 0 376.457 -0.479 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419080447 1073774018 /nfs/dbraw/zinc/77/40/18/1073774018.db2.gz PQOYQFMNABXDIQ-UHFFFAOYSA-N 1 0 381.521 -0.319 20 0 GBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC000419080921 1073773962 /nfs/dbraw/zinc/77/39/62/1073773962.db2.gz QPLQVXJOCQTKRF-NEPJUHHUSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC000419080922 1073773928 /nfs/dbraw/zinc/77/39/28/1073773928.db2.gz QPLQVXJOCQTKRF-NWDGAFQWSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC000419080923 1073774011 /nfs/dbraw/zinc/77/40/11/1073774011.db2.gz QPLQVXJOCQTKRF-RYUDHWBXSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O ZINC000419080925 1073775047 /nfs/dbraw/zinc/77/50/47/1073775047.db2.gz QPLQVXJOCQTKRF-VXGBXAGGSA-N 1 0 393.410 -0.936 20 0 GBADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081179 1073773951 /nfs/dbraw/zinc/77/39/51/1073773951.db2.gz RCUZKBKPJXPNRC-CVEARBPZSA-N 1 0 379.505 -0.710 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081180 1073774058 /nfs/dbraw/zinc/77/40/58/1073774058.db2.gz RCUZKBKPJXPNRC-HOTGVXAUSA-N 1 0 379.505 -0.710 20 0 GBADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081181 1073773966 /nfs/dbraw/zinc/77/39/66/1073773966.db2.gz RCUZKBKPJXPNRC-HZPDHXFCSA-N 1 0 379.505 -0.710 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081182 1073774172 /nfs/dbraw/zinc/77/41/72/1073774172.db2.gz RCUZKBKPJXPNRC-JKSUJKDBSA-N 1 0 379.505 -0.710 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081256 1073774092 /nfs/dbraw/zinc/77/40/92/1073774092.db2.gz RLXDBGGDBBMWHI-DLBZAZTESA-N 1 0 393.532 -0.319 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081257 1073774070 /nfs/dbraw/zinc/77/40/70/1073774070.db2.gz RLXDBGGDBBMWHI-IAGOWNOFSA-N 1 0 393.532 -0.319 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081258 1073774063 /nfs/dbraw/zinc/77/40/63/1073774063.db2.gz RLXDBGGDBBMWHI-IRXDYDNUSA-N 1 0 393.532 -0.319 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081259 1073774104 /nfs/dbraw/zinc/77/41/04/1073774104.db2.gz RLXDBGGDBBMWHI-SJORKVTESA-N 1 0 393.532 -0.319 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081580 1073775108 /nfs/dbraw/zinc/77/51/08/1073775108.db2.gz RVMPYIOHBFKSNA-KRWDZBQOSA-N 1 0 395.548 -0.121 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081585 1073774816 /nfs/dbraw/zinc/77/48/16/1073774816.db2.gz RVMPYIOHBFKSNA-QGZVFWFLSA-N 1 0 395.548 -0.121 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081933 1073774756 /nfs/dbraw/zinc/77/47/56/1073774756.db2.gz SVOPIYNDIYAEJM-INIZCTEOSA-N 1 0 381.521 -0.464 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419081934 1073774985 /nfs/dbraw/zinc/77/49/85/1073774985.db2.gz SVOPIYNDIYAEJM-MRXNPFEDSA-N 1 0 381.521 -0.464 20 0 GBADRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419082347 1073774844 /nfs/dbraw/zinc/77/48/44/1073774844.db2.gz ZXSDGHHBCJWVEO-CYBMUJFWSA-N 1 0 382.486 -0.061 20 0 GBADRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419082348 1073775054 /nfs/dbraw/zinc/77/50/54/1073775054.db2.gz ZXSDGHHBCJWVEO-ZDUSSCGKSA-N 1 0 382.486 -0.061 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000419082748 1073775498 /nfs/dbraw/zinc/77/54/98/1073775498.db2.gz VFKRJEHZJIEQJP-UHFFFAOYSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000419082964 1073776057 /nfs/dbraw/zinc/77/60/57/1073776057.db2.gz VMJBGAZHEIYVNN-CABCVRRESA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000419082965 1073775852 /nfs/dbraw/zinc/77/58/52/1073775852.db2.gz VMJBGAZHEIYVNN-GJZGRUSLSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@H](C)C[NH2+]1 ZINC000419082966 1073775559 /nfs/dbraw/zinc/77/55/59/1073775559.db2.gz VMJBGAZHEIYVNN-HUUCEWRRSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419082968 1073775743 /nfs/dbraw/zinc/77/57/43/1073775743.db2.gz VMJBGAZHEIYVNN-LSDHHAIUSA-N 1 0 379.505 -0.744 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCCCC1 ZINC000419083627 1073775090 /nfs/dbraw/zinc/77/50/90/1073775090.db2.gz XAWDIEIHAGTYTI-UHFFFAOYSA-N 1 0 393.532 -0.175 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCC[NH2+]C1 ZINC000419083901 1073777290 /nfs/dbraw/zinc/77/72/90/1073777290.db2.gz XMSYDSODUGDSOT-FQEVSTJZSA-N 1 0 393.532 -0.447 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCC[NH2+]C1 ZINC000419083902 1073777654 /nfs/dbraw/zinc/77/76/54/1073777654.db2.gz XMSYDSODUGDSOT-HXUWFJFHSA-N 1 0 393.532 -0.447 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419083965 1073776517 /nfs/dbraw/zinc/77/65/17/1073776517.db2.gz XVMBFKIUKLDJTM-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419083966 1073774143 /nfs/dbraw/zinc/77/41/43/1073774143.db2.gz XVMBFKIUKLDJTM-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H]1C[NH3+] ZINC000419084103 1073776680 /nfs/dbraw/zinc/77/66/80/1073776680.db2.gz YANPPDWGSPFSFG-DOTOQJQBSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H]1C[NH3+] ZINC000419084104 1073776715 /nfs/dbraw/zinc/77/67/15/1073776715.db2.gz YANPPDWGSPFSFG-NVXWUHKLSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]1C[NH3+] ZINC000419084105 1073776575 /nfs/dbraw/zinc/77/65/75/1073776575.db2.gz YANPPDWGSPFSFG-RDJZCZTQSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]1C[NH3+] ZINC000419084106 1073776597 /nfs/dbraw/zinc/77/65/97/1073776597.db2.gz YANPPDWGSPFSFG-WBVHZDCISA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419084150 1073776610 /nfs/dbraw/zinc/77/66/10/1073776610.db2.gz YHTDLYFZSPHKFQ-GDBMZVCRSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419084152 1073776582 /nfs/dbraw/zinc/77/65/82/1073776582.db2.gz YHTDLYFZSPHKFQ-GOEBONIOSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419084154 1073776641 /nfs/dbraw/zinc/77/66/41/1073776641.db2.gz YHTDLYFZSPHKFQ-HOCLYGCPSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000419084156 1073776701 /nfs/dbraw/zinc/77/67/01/1073776701.db2.gz YHTDLYFZSPHKFQ-ZBFHGGJFSA-N 1 0 379.505 -0.839 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000419085372 1073777317 /nfs/dbraw/zinc/77/73/17/1073777317.db2.gz ZPVINRDOWWUZCO-AWEZNQCLSA-N 1 0 389.456 -0.555 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000419085374 1073777463 /nfs/dbraw/zinc/77/74/63/1073777463.db2.gz ZPVINRDOWWUZCO-CQSZACIVSA-N 1 0 389.456 -0.555 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N2CCOCC2)o1 ZINC000419086540 1073778406 /nfs/dbraw/zinc/77/84/06/1073778406.db2.gz XVVMBLQXDKZXRI-OWCLPIDISA-N 1 0 376.457 -0.102 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N2CCOCC2)o1 ZINC000419086542 1073778434 /nfs/dbraw/zinc/77/84/34/1073778434.db2.gz XVVMBLQXDKZXRI-PMPSAXMXSA-N 1 0 376.457 -0.102 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000419087974 1073776780 /nfs/dbraw/zinc/77/67/80/1073776780.db2.gz QEVSKCXYMSSXHX-AWEZNQCLSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000419087975 1073776471 /nfs/dbraw/zinc/77/64/71/1073776471.db2.gz QEVSKCXYMSSXHX-CQSZACIVSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1ccc(C)cc1C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCOCC1 ZINC000419089028 1073776543 /nfs/dbraw/zinc/77/65/43/1073776543.db2.gz SCGIPWGYYRVFKQ-UHFFFAOYSA-N 1 0 393.484 -0.052 20 0 GBADRO COC(=O)COc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419089110 1073776570 /nfs/dbraw/zinc/77/65/70/1073776570.db2.gz NKANQYAJXQUPNS-CABCVRRESA-N 1 0 375.425 -0.078 20 0 GBADRO COC(=O)COc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419089111 1073776661 /nfs/dbraw/zinc/77/66/61/1073776661.db2.gz NKANQYAJXQUPNS-GJZGRUSLSA-N 1 0 375.425 -0.078 20 0 GBADRO COC(=O)COc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419089112 1073776489 /nfs/dbraw/zinc/77/64/89/1073776489.db2.gz NKANQYAJXQUPNS-HUUCEWRRSA-N 1 0 375.425 -0.078 20 0 GBADRO COC(=O)COc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419089113 1073776503 /nfs/dbraw/zinc/77/65/03/1073776503.db2.gz NKANQYAJXQUPNS-LSDHHAIUSA-N 1 0 375.425 -0.078 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000419090664 1073777662 /nfs/dbraw/zinc/77/76/62/1073777662.db2.gz VFVHRKRUUFBDGW-HNNXBMFYSA-N 1 0 389.456 -0.623 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000419090670 1073777793 /nfs/dbraw/zinc/77/77/93/1073777793.db2.gz VFVHRKRUUFBDGW-OAHLLOKOSA-N 1 0 389.456 -0.623 20 0 GBADRO COc1ccc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000419091614 1073779170 /nfs/dbraw/zinc/77/91/70/1073779170.db2.gz WHMNNUYBLMLXMU-GFCCVEGCSA-N 1 0 389.378 -0.341 20 0 GBADRO COc1ccc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000419091615 1073779307 /nfs/dbraw/zinc/77/93/07/1073779307.db2.gz WHMNNUYBLMLXMU-LBPRGKRZSA-N 1 0 389.378 -0.341 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000419093704 1073780186 /nfs/dbraw/zinc/78/01/86/1073780186.db2.gz IRGJPOLIDCTVOW-AWEZNQCLSA-N 1 0 386.518 -0.340 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000419093705 1073780304 /nfs/dbraw/zinc/78/03/04/1073780304.db2.gz IRGJPOLIDCTVOW-CQSZACIVSA-N 1 0 386.518 -0.340 20 0 GBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)ncn1 ZINC000419094534 1073780403 /nfs/dbraw/zinc/78/04/03/1073780403.db2.gz JSLITXHPLLOUDI-CABCVRRESA-N 1 0 376.461 -0.690 20 0 GBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)ncn1 ZINC000419094536 1073780054 /nfs/dbraw/zinc/78/00/54/1073780054.db2.gz JSLITXHPLLOUDI-GJZGRUSLSA-N 1 0 376.461 -0.690 20 0 GBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)ncn1 ZINC000419094541 1073780083 /nfs/dbraw/zinc/78/00/83/1073780083.db2.gz JSLITXHPLLOUDI-HUUCEWRRSA-N 1 0 376.461 -0.690 20 0 GBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)ncn1 ZINC000419094542 1073780164 /nfs/dbraw/zinc/78/01/64/1073780164.db2.gz JSLITXHPLLOUDI-LSDHHAIUSA-N 1 0 376.461 -0.690 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)c3ccc(F)cc3)C[C@H]12 ZINC000419094829 1073780047 /nfs/dbraw/zinc/78/00/47/1073780047.db2.gz LFOLIYBPFKYFNC-BYCMXARLSA-N 1 0 383.445 -0.089 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000419094830 1073780006 /nfs/dbraw/zinc/78/00/06/1073780006.db2.gz LFOLIYBPFKYFNC-KCPJHIHWSA-N 1 0 383.445 -0.089 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000419094831 1073780137 /nfs/dbraw/zinc/78/01/37/1073780137.db2.gz LFOLIYBPFKYFNC-NILFDRSVSA-N 1 0 383.445 -0.089 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)c3ccc(F)cc3)C[C@H]12 ZINC000419094832 1073780132 /nfs/dbraw/zinc/78/01/32/1073780132.db2.gz LFOLIYBPFKYFNC-TUKIKUTGSA-N 1 0 383.445 -0.089 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419096097 1073780345 /nfs/dbraw/zinc/78/03/45/1073780345.db2.gz DGRYOHTZZWHMOA-AGIUHOORSA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419096108 1073780093 /nfs/dbraw/zinc/78/00/93/1073780093.db2.gz DGRYOHTZZWHMOA-AVGNSLFASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419096111 1073780028 /nfs/dbraw/zinc/78/00/28/1073780028.db2.gz DGRYOHTZZWHMOA-UPJWGTAASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419096112 1073780411 /nfs/dbraw/zinc/78/04/11/1073780411.db2.gz DGRYOHTZZWHMOA-XQQFMLRXSA-N 1 0 382.486 -0.019 20 0 GBADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419096853 1073778635 /nfs/dbraw/zinc/77/86/35/1073778635.db2.gz DCGDLEKKMLUTER-DLBZAZTESA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419096854 1073778301 /nfs/dbraw/zinc/77/83/01/1073778301.db2.gz DCGDLEKKMLUTER-IAGOWNOFSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419096855 1073778335 /nfs/dbraw/zinc/77/83/35/1073778335.db2.gz DCGDLEKKMLUTER-IRXDYDNUSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419096856 1073778441 /nfs/dbraw/zinc/77/84/41/1073778441.db2.gz DCGDLEKKMLUTER-SJORKVTESA-N 1 0 393.532 -0.210 20 0 GBADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419096879 1073778454 /nfs/dbraw/zinc/77/84/54/1073778454.db2.gz DHRGSFUSHBERLS-UHFFFAOYSA-N 1 0 393.454 -0.212 20 0 GBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)ncn1 ZINC000419098451 1073778714 /nfs/dbraw/zinc/77/87/14/1073778714.db2.gz OEOJDHRKPMEWHW-INIZCTEOSA-N 1 0 389.504 -0.855 20 0 GBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)ncn1 ZINC000419098458 1073778323 /nfs/dbraw/zinc/77/83/23/1073778323.db2.gz OEOJDHRKPMEWHW-MRXNPFEDSA-N 1 0 389.504 -0.855 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000419099619 1073779538 /nfs/dbraw/zinc/77/95/38/1073779538.db2.gz AIDFTCVGGNALKY-HNNXBMFYSA-N 1 0 376.413 -0.643 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000419099625 1073779261 /nfs/dbraw/zinc/77/92/61/1073779261.db2.gz AIDFTCVGGNALKY-OAHLLOKOSA-N 1 0 376.413 -0.643 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419099762 1073779194 /nfs/dbraw/zinc/77/91/94/1073779194.db2.gz IOHNMUIHNNZUJX-AVGNSLFASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419099763 1073779387 /nfs/dbraw/zinc/77/93/87/1073779387.db2.gz IOHNMUIHNNZUJX-FRRDWIJNSA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000419099764 1073779516 /nfs/dbraw/zinc/77/95/16/1073779516.db2.gz IOHNMUIHNNZUJX-UPJWGTAASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419099765 1073779101 /nfs/dbraw/zinc/77/91/01/1073779101.db2.gz IOHNMUIHNNZUJX-XQQFMLRXSA-N 1 0 382.486 -0.019 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2=O)c1 ZINC000419100455 1073778206 /nfs/dbraw/zinc/77/82/06/1073778206.db2.gz BSNGMDAAURCUPW-CVEARBPZSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2=O)c1 ZINC000419100456 1073779344 /nfs/dbraw/zinc/77/93/44/1073779344.db2.gz BSNGMDAAURCUPW-HOTGVXAUSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2=O)c1 ZINC000419100457 1073779494 /nfs/dbraw/zinc/77/94/94/1073779494.db2.gz BSNGMDAAURCUPW-HZPDHXFCSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2=O)c1 ZINC000419100458 1073779092 /nfs/dbraw/zinc/77/90/92/1073779092.db2.gz BSNGMDAAURCUPW-JKSUJKDBSA-N 1 0 390.440 -0.221 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC[NH2+]1 ZINC000419101753 1073779499 /nfs/dbraw/zinc/77/94/99/1073779499.db2.gz DBQYUBZQVUMHGO-CYBMUJFWSA-N 1 0 380.470 -0.337 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC[NH2+]1 ZINC000419101755 1073779155 /nfs/dbraw/zinc/77/91/55/1073779155.db2.gz DBQYUBZQVUMHGO-ZDUSSCGKSA-N 1 0 380.470 -0.337 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2=O)c1 ZINC000419102360 1073779250 /nfs/dbraw/zinc/77/92/50/1073779250.db2.gz FCXVVBUERVJQDF-ABAIWWIYSA-N 1 0 378.429 -0.364 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2=O)c1 ZINC000419102361 1073779414 /nfs/dbraw/zinc/77/94/14/1073779414.db2.gz FCXVVBUERVJQDF-IAQYHMDHSA-N 1 0 378.429 -0.364 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2=O)c1 ZINC000419102362 1073779299 /nfs/dbraw/zinc/77/92/99/1073779299.db2.gz FCXVVBUERVJQDF-NHYWBVRUSA-N 1 0 378.429 -0.364 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2=O)c1 ZINC000419102363 1073779357 /nfs/dbraw/zinc/77/93/57/1073779357.db2.gz FCXVVBUERVJQDF-XHDPSFHLSA-N 1 0 378.429 -0.364 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000419102687 1073779395 /nfs/dbraw/zinc/77/93/95/1073779395.db2.gz IYVPNAONQLMFBT-UHFFFAOYSA-N 1 0 397.907 -0.642 20 0 GBADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000419103471 1073782019 /nfs/dbraw/zinc/78/20/19/1073782019.db2.gz RXMHJBPJFHIVNB-AWEZNQCLSA-N 1 0 375.429 -0.406 20 0 GBADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000419103479 1073781908 /nfs/dbraw/zinc/78/19/08/1073781908.db2.gz RXMHJBPJFHIVNB-CQSZACIVSA-N 1 0 375.429 -0.406 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000419105718 1073780464 /nfs/dbraw/zinc/78/04/64/1073780464.db2.gz CFMXAUGYPGXRRJ-AWEZNQCLSA-N 1 0 382.486 -0.237 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000419105719 1073780018 /nfs/dbraw/zinc/78/00/18/1073780018.db2.gz CFMXAUGYPGXRRJ-CQSZACIVSA-N 1 0 382.486 -0.237 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000419106005 1073780201 /nfs/dbraw/zinc/78/02/01/1073780201.db2.gz JCWWHTINQUFFSE-BLLLJJGKSA-N 1 0 390.440 -0.254 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000419106008 1073780168 /nfs/dbraw/zinc/78/01/68/1073780168.db2.gz JCWWHTINQUFFSE-LRDDRELGSA-N 1 0 390.440 -0.254 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000419106011 1073779981 /nfs/dbraw/zinc/77/99/81/1073779981.db2.gz JCWWHTINQUFFSE-MLGOLLRUSA-N 1 0 390.440 -0.254 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000419106014 1073780175 /nfs/dbraw/zinc/78/01/75/1073780175.db2.gz JCWWHTINQUFFSE-WBMJQRKESA-N 1 0 390.440 -0.254 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000419106124 1073782828 /nfs/dbraw/zinc/78/28/28/1073782828.db2.gz CNAIGZXJVOEAPC-CHWSQXEVSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419106125 1073782786 /nfs/dbraw/zinc/78/27/86/1073782786.db2.gz CNAIGZXJVOEAPC-OLZOCXBDSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000419106126 1073782658 /nfs/dbraw/zinc/78/26/58/1073782658.db2.gz CNAIGZXJVOEAPC-QWHCGFSZSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000419106127 1073782697 /nfs/dbraw/zinc/78/26/97/1073782697.db2.gz CNAIGZXJVOEAPC-STQMWFEESA-N 1 0 382.486 -0.238 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2=O)c1 ZINC000419106476 1073782808 /nfs/dbraw/zinc/78/28/08/1073782808.db2.gz JWPXSSWRNBDSMO-HNNXBMFYSA-N 1 0 390.440 -0.077 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2=O)c1 ZINC000419106477 1073782544 /nfs/dbraw/zinc/78/25/44/1073782544.db2.gz JWPXSSWRNBDSMO-OAHLLOKOSA-N 1 0 390.440 -0.077 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000419106486 1073782814 /nfs/dbraw/zinc/78/28/14/1073782814.db2.gz JYTKYMZZDRGMDE-BLLLJJGKSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000419106487 1073782873 /nfs/dbraw/zinc/78/28/73/1073782873.db2.gz JYTKYMZZDRGMDE-LRDDRELGSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000419106488 1073782731 /nfs/dbraw/zinc/78/27/31/1073782731.db2.gz JYTKYMZZDRGMDE-MLGOLLRUSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000419106489 1073782910 /nfs/dbraw/zinc/78/29/10/1073782910.db2.gz JYTKYMZZDRGMDE-WBMJQRKESA-N 1 0 390.440 -0.207 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106710 1073780974 /nfs/dbraw/zinc/78/09/74/1073780974.db2.gz DKVCPVDKQNFOEH-BXUZGUMPSA-N 1 0 398.485 -0.097 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106711 1073781314 /nfs/dbraw/zinc/78/13/14/1073781314.db2.gz DKVCPVDKQNFOEH-FZMZJTMJSA-N 1 0 398.485 -0.097 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106712 1073781381 /nfs/dbraw/zinc/78/13/81/1073781381.db2.gz DKVCPVDKQNFOEH-RISCZKNCSA-N 1 0 398.485 -0.097 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000419106713 1073780917 /nfs/dbraw/zinc/78/09/17/1073780917.db2.gz DKVCPVDKQNFOEH-SMDDNHRTSA-N 1 0 398.485 -0.097 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2=O)c1 ZINC000419106936 1073780476 /nfs/dbraw/zinc/78/04/76/1073780476.db2.gz KEHWVMMJOJOIRR-BLLLJJGKSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2=O)c1 ZINC000419106937 1073781258 /nfs/dbraw/zinc/78/12/58/1073781258.db2.gz KEHWVMMJOJOIRR-LRDDRELGSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2=O)c1 ZINC000419106938 1073781295 /nfs/dbraw/zinc/78/12/95/1073781295.db2.gz KEHWVMMJOJOIRR-MLGOLLRUSA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2=O)c1 ZINC000419106939 1073781067 /nfs/dbraw/zinc/78/10/67/1073781067.db2.gz KEHWVMMJOJOIRR-WBMJQRKESA-N 1 0 390.440 -0.207 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2=O)c1 ZINC000419106940 1073781046 /nfs/dbraw/zinc/78/10/46/1073781046.db2.gz KEIQUWLZSGFODK-ABAIWWIYSA-N 1 0 376.413 -0.515 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2=O)c1 ZINC000419106941 1073781335 /nfs/dbraw/zinc/78/13/35/1073781335.db2.gz KEIQUWLZSGFODK-IAQYHMDHSA-N 1 0 376.413 -0.515 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2=O)c1 ZINC000419106942 1073781309 /nfs/dbraw/zinc/78/13/09/1073781309.db2.gz KEIQUWLZSGFODK-NHYWBVRUSA-N 1 0 376.413 -0.515 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2=O)c1 ZINC000419106943 1073781351 /nfs/dbraw/zinc/78/13/51/1073781351.db2.gz KEIQUWLZSGFODK-XHDPSFHLSA-N 1 0 376.413 -0.515 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419107095 1073780067 /nfs/dbraw/zinc/78/00/67/1073780067.db2.gz DRKPDDVDOPMGFX-GASCZTMLSA-N 1 0 394.497 -0.094 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2=O)c1 ZINC000419107369 1073780331 /nfs/dbraw/zinc/78/03/31/1073780331.db2.gz FGZJOAKMYMXKAA-ABAIWWIYSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2=O)c1 ZINC000419107375 1073780116 /nfs/dbraw/zinc/78/01/16/1073780116.db2.gz FGZJOAKMYMXKAA-IAQYHMDHSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2=O)c1 ZINC000419107376 1073780104 /nfs/dbraw/zinc/78/01/04/1073780104.db2.gz FGZJOAKMYMXKAA-NHYWBVRUSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2=O)c1 ZINC000419107377 1073780235 /nfs/dbraw/zinc/78/02/35/1073780235.db2.gz FGZJOAKMYMXKAA-XHDPSFHLSA-N 1 0 378.429 -0.269 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000419107709 1073781139 /nfs/dbraw/zinc/78/11/39/1073781139.db2.gz PTKOHCWAEIPRSH-AWEZNQCLSA-N 1 0 396.513 -0.049 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000419107710 1073781207 /nfs/dbraw/zinc/78/12/07/1073781207.db2.gz PTKOHCWAEIPRSH-CQSZACIVSA-N 1 0 396.513 -0.049 20 0 GBADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419107762 1073781330 /nfs/dbraw/zinc/78/13/30/1073781330.db2.gz LGARVRYNYWINPT-LLVKDONJSA-N 1 0 395.426 -0.783 20 0 GBADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419107774 1073781301 /nfs/dbraw/zinc/78/13/01/1073781301.db2.gz LGARVRYNYWINPT-NSHDSACASA-N 1 0 395.426 -0.783 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000419107997 1073781104 /nfs/dbraw/zinc/78/11/04/1073781104.db2.gz QHUNKWVSLVQGLE-GXTWGEPZSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000419108000 1073781027 /nfs/dbraw/zinc/78/10/27/1073781027.db2.gz QHUNKWVSLVQGLE-JSGCOSHPSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000419108002 1073781161 /nfs/dbraw/zinc/78/11/61/1073781161.db2.gz QHUNKWVSLVQGLE-OCCSQVGLSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000419108008 1073780930 /nfs/dbraw/zinc/78/09/30/1073780930.db2.gz QHUNKWVSLVQGLE-TZMCWYRMSA-N 1 0 382.486 -0.018 20 0 GBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCC[NH2+]CCOC)C2)ncn1 ZINC000419108747 1073781172 /nfs/dbraw/zinc/78/11/72/1073781172.db2.gz XWFLPPKLHUTWHZ-HNNXBMFYSA-N 1 0 378.477 -0.524 20 0 GBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCC[NH2+]CCOC)C2)ncn1 ZINC000419108748 1073780891 /nfs/dbraw/zinc/78/08/91/1073780891.db2.gz XWFLPPKLHUTWHZ-OAHLLOKOSA-N 1 0 378.477 -0.524 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000419108946 1073780956 /nfs/dbraw/zinc/78/09/56/1073780956.db2.gz RARLIYYASUMCKM-UHFFFAOYSA-N 1 0 382.486 -0.438 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419109604 1073781734 /nfs/dbraw/zinc/78/17/34/1073781734.db2.gz HPEWKGLNQXCFJZ-BETUJISGSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H](C)[NH2+]1 ZINC000419109612 1073781695 /nfs/dbraw/zinc/78/16/95/1073781695.db2.gz HPEWKGLNQXCFJZ-CHWSQXEVSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H](C)[NH2+]1 ZINC000419109614 1073782104 /nfs/dbraw/zinc/78/21/04/1073782104.db2.gz HPEWKGLNQXCFJZ-STQMWFEESA-N 1 0 382.486 -0.238 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2=O)c1 ZINC000419109886 1073781680 /nfs/dbraw/zinc/78/16/80/1073781680.db2.gz NMZMRFPVLAAUQO-CVEARBPZSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2=O)c1 ZINC000419109887 1073781870 /nfs/dbraw/zinc/78/18/70/1073781870.db2.gz NMZMRFPVLAAUQO-HOTGVXAUSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2=O)c1 ZINC000419109888 1073781751 /nfs/dbraw/zinc/78/17/51/1073781751.db2.gz NMZMRFPVLAAUQO-HZPDHXFCSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2=O)c1 ZINC000419109889 1073782094 /nfs/dbraw/zinc/78/20/94/1073782094.db2.gz NMZMRFPVLAAUQO-JKSUJKDBSA-N 1 0 390.440 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2=O)c1 ZINC000419110322 1073782029 /nfs/dbraw/zinc/78/20/29/1073782029.db2.gz NSHZJJWLXAIEAY-ABAIWWIYSA-N 1 0 378.429 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2=O)c1 ZINC000419110326 1073781956 /nfs/dbraw/zinc/78/19/56/1073781956.db2.gz NSHZJJWLXAIEAY-IAQYHMDHSA-N 1 0 378.429 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2=O)c1 ZINC000419110328 1073781757 /nfs/dbraw/zinc/78/17/57/1073781757.db2.gz NSHZJJWLXAIEAY-NHYWBVRUSA-N 1 0 378.429 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2=O)c1 ZINC000419110330 1073781947 /nfs/dbraw/zinc/78/19/47/1073781947.db2.gz NSHZJJWLXAIEAY-XHDPSFHLSA-N 1 0 378.429 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2=O)c1 ZINC000419110393 1073780875 /nfs/dbraw/zinc/78/08/75/1073780875.db2.gz NWMVRVFQAPTGQL-INIZCTEOSA-N 1 0 390.440 -0.253 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2=O)c1 ZINC000419110394 1073781265 /nfs/dbraw/zinc/78/12/65/1073781265.db2.gz NWMVRVFQAPTGQL-MRXNPFEDSA-N 1 0 390.440 -0.253 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[NH2+]1 ZINC000419110440 1073781894 /nfs/dbraw/zinc/78/18/94/1073781894.db2.gz NYTXNKBHECEFTN-CYBMUJFWSA-N 1 0 380.470 -0.337 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[NH2+]1 ZINC000419110442 1073781967 /nfs/dbraw/zinc/78/19/67/1073781967.db2.gz NYTXNKBHECEFTN-ZDUSSCGKSA-N 1 0 380.470 -0.337 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000419110533 1073781111 /nfs/dbraw/zinc/78/11/11/1073781111.db2.gz SGKOWZSLTMQFSZ-AWEZNQCLSA-N 1 0 396.513 -0.049 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000419110535 1073780988 /nfs/dbraw/zinc/78/09/88/1073780988.db2.gz SGKOWZSLTMQFSZ-CQSZACIVSA-N 1 0 396.513 -0.049 20 0 GBADRO Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)nc1 ZINC000419111035 1073785148 /nfs/dbraw/zinc/78/51/48/1073785148.db2.gz ZQQUQJLGVPEMBW-HNNXBMFYSA-N 1 0 390.488 -0.378 20 0 GBADRO Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)nc1 ZINC000419111041 1073785221 /nfs/dbraw/zinc/78/52/21/1073785221.db2.gz ZQQUQJLGVPEMBW-OAHLLOKOSA-N 1 0 390.488 -0.378 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccn1 ZINC000419111176 1073785293 /nfs/dbraw/zinc/78/52/93/1073785293.db2.gz DBYKMBMHZFPIFZ-AWEZNQCLSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccn1 ZINC000419111177 1073785235 /nfs/dbraw/zinc/78/52/35/1073785235.db2.gz DBYKMBMHZFPIFZ-CQSZACIVSA-N 1 0 377.445 -0.448 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419111200 1073785365 /nfs/dbraw/zinc/78/53/65/1073785365.db2.gz SXQLIBLQCCCNHT-GFCCVEGCSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419111202 1073785327 /nfs/dbraw/zinc/78/53/27/1073785327.db2.gz SXQLIBLQCCCNHT-LBPRGKRZSA-N 1 0 382.486 -0.018 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000419111359 1073785652 /nfs/dbraw/zinc/78/56/52/1073785652.db2.gz IZNNQZOEXVEQLW-INIZCTEOSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000419111360 1073785379 /nfs/dbraw/zinc/78/53/79/1073785379.db2.gz IZNNQZOEXVEQLW-MRXNPFEDSA-N 1 0 398.467 -0.198 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419111405 1073782715 /nfs/dbraw/zinc/78/27/15/1073782715.db2.gz OOPUGTZXRJVDGR-BLLLJJGKSA-N 1 0 392.456 -0.103 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419111406 1073782800 /nfs/dbraw/zinc/78/28/00/1073782800.db2.gz OOPUGTZXRJVDGR-LRDDRELGSA-N 1 0 392.456 -0.103 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419111407 1073782758 /nfs/dbraw/zinc/78/27/58/1073782758.db2.gz OOPUGTZXRJVDGR-MLGOLLRUSA-N 1 0 392.456 -0.103 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419111408 1073782994 /nfs/dbraw/zinc/78/29/94/1073782994.db2.gz OOPUGTZXRJVDGR-WBMJQRKESA-N 1 0 392.456 -0.103 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2=O)c1 ZINC000419112046 1073785186 /nfs/dbraw/zinc/78/51/86/1073785186.db2.gz PMYYJEOQRNGLHM-BLLLJJGKSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2=O)c1 ZINC000419112047 1073785042 /nfs/dbraw/zinc/78/50/42/1073785042.db2.gz PMYYJEOQRNGLHM-LRDDRELGSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2=O)c1 ZINC000419112048 1073785522 /nfs/dbraw/zinc/78/55/22/1073785522.db2.gz PMYYJEOQRNGLHM-MLGOLLRUSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2=O)c1 ZINC000419112049 1073785420 /nfs/dbraw/zinc/78/54/20/1073785420.db2.gz PMYYJEOQRNGLHM-WBMJQRKESA-N 1 0 390.440 -0.254 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419112663 1073785354 /nfs/dbraw/zinc/78/53/54/1073785354.db2.gz PVZRPYYUBYZQDI-HNNXBMFYSA-N 1 0 378.429 -0.349 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419112664 1073785173 /nfs/dbraw/zinc/78/51/73/1073785173.db2.gz PVZRPYYUBYZQDI-OAHLLOKOSA-N 1 0 378.429 -0.349 20 0 GBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419115017 1073786411 /nfs/dbraw/zinc/78/64/11/1073786411.db2.gz IQANBHZXWBHGJX-KRWDZBQOSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419115018 1073786257 /nfs/dbraw/zinc/78/62/57/1073786257.db2.gz IQANBHZXWBHGJX-QGZVFWFLSA-N 1 0 393.532 -0.354 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2=O)c1 ZINC000419115218 1073786355 /nfs/dbraw/zinc/78/63/55/1073786355.db2.gz SRAQGPDXZFSMHH-MLGOLLRUSA-N 1 0 390.440 -0.125 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2=O)c1 ZINC000419115219 1073786573 /nfs/dbraw/zinc/78/65/73/1073786573.db2.gz SRAQGPDXZFSMHH-WBMJQRKESA-N 1 0 390.440 -0.125 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000419115262 1073786117 /nfs/dbraw/zinc/78/61/17/1073786117.db2.gz SYBBTOKSVOCXAQ-CYBMUJFWSA-N 1 0 380.470 -0.337 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000419115263 1073786491 /nfs/dbraw/zinc/78/64/91/1073786491.db2.gz SYBBTOKSVOCXAQ-ZDUSSCGKSA-N 1 0 380.470 -0.337 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccn1 ZINC000419115585 1073786531 /nfs/dbraw/zinc/78/65/31/1073786531.db2.gz JZYLMKWELLYIKJ-HNNXBMFYSA-N 1 0 389.456 -0.623 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccn1 ZINC000419115586 1073786230 /nfs/dbraw/zinc/78/62/30/1073786230.db2.gz JZYLMKWELLYIKJ-OAHLLOKOSA-N 1 0 389.456 -0.623 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419115676 1073786480 /nfs/dbraw/zinc/78/64/80/1073786480.db2.gz ODOLYCCHIXGFGV-DZGCQCFKSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000419115677 1073786606 /nfs/dbraw/zinc/78/66/06/1073786606.db2.gz ODOLYCCHIXGFGV-HIFRSBDPSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419115678 1073786386 /nfs/dbraw/zinc/78/63/86/1073786386.db2.gz ODOLYCCHIXGFGV-UKRRQHHQSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000419115679 1073786112 /nfs/dbraw/zinc/78/61/12/1073786112.db2.gz ODOLYCCHIXGFGV-ZFWWWQNUSA-N 1 0 396.513 -0.004 20 0 GBADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419115684 1073786461 /nfs/dbraw/zinc/78/64/61/1073786461.db2.gz OFGRTKWUJNQFHL-KBPBESRZSA-N 1 0 383.470 -0.459 20 0 GBADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419115685 1073786338 /nfs/dbraw/zinc/78/63/38/1073786338.db2.gz OFGRTKWUJNQFHL-KGLIPLIRSA-N 1 0 383.470 -0.459 20 0 GBADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419115686 1073786247 /nfs/dbraw/zinc/78/62/47/1073786247.db2.gz OFGRTKWUJNQFHL-UONOGXRCSA-N 1 0 383.470 -0.459 20 0 GBADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419115687 1073786346 /nfs/dbraw/zinc/78/63/46/1073786346.db2.gz OFGRTKWUJNQFHL-ZIAGYGMSSA-N 1 0 383.470 -0.459 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCOCC1 ZINC000419115719 1073786053 /nfs/dbraw/zinc/78/60/53/1073786053.db2.gz KEWNJEQDLDJRIH-DLBZAZTESA-N 1 0 384.521 -0.266 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCOCC1 ZINC000419115720 1073786324 /nfs/dbraw/zinc/78/63/24/1073786324.db2.gz KEWNJEQDLDJRIH-IAGOWNOFSA-N 1 0 384.521 -0.266 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCOCC1 ZINC000419115721 1073786151 /nfs/dbraw/zinc/78/61/51/1073786151.db2.gz KEWNJEQDLDJRIH-IRXDYDNUSA-N 1 0 384.521 -0.266 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCOCC1 ZINC000419115722 1073786096 /nfs/dbraw/zinc/78/60/96/1073786096.db2.gz KEWNJEQDLDJRIH-SJORKVTESA-N 1 0 384.521 -0.266 20 0 GBADRO O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)NCC1C[NH2+]C1 ZINC000419115947 1073786282 /nfs/dbraw/zinc/78/62/82/1073786282.db2.gz YXNJMCMZCVPJCR-UHFFFAOYSA-N 1 0 379.892 -0.086 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419116521 1073786307 /nfs/dbraw/zinc/78/63/07/1073786307.db2.gz UPWBLPXNSSXNED-INIZCTEOSA-N 1 0 392.456 -0.007 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419116524 1073786046 /nfs/dbraw/zinc/78/60/46/1073786046.db2.gz UPWBLPXNSSXNED-MRXNPFEDSA-N 1 0 392.456 -0.007 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000419116729 1073786146 /nfs/dbraw/zinc/78/61/46/1073786146.db2.gz OVWXPWKDJYIEDW-GXTWGEPZSA-N 1 0 390.440 -0.094 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000419116731 1073786140 /nfs/dbraw/zinc/78/61/40/1073786140.db2.gz OVWXPWKDJYIEDW-JSGCOSHPSA-N 1 0 390.440 -0.094 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000419116733 1073786429 /nfs/dbraw/zinc/78/64/29/1073786429.db2.gz OVWXPWKDJYIEDW-OCCSQVGLSA-N 1 0 390.440 -0.094 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc2c(c1)OCO2 ZINC000419116734 1073786314 /nfs/dbraw/zinc/78/63/14/1073786314.db2.gz OVWXPWKDJYIEDW-TZMCWYRMSA-N 1 0 390.440 -0.094 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CCO1 ZINC000419116818 1073786400 /nfs/dbraw/zinc/78/64/00/1073786400.db2.gz GUZBCFQHBZGTDV-JTQLQIEISA-N 1 0 387.339 -0.181 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CCO1 ZINC000419116838 1073786272 /nfs/dbraw/zinc/78/62/72/1073786272.db2.gz GUZBCFQHBZGTDV-SNVBAGLBSA-N 1 0 387.339 -0.181 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000419117748 1073787305 /nfs/dbraw/zinc/78/73/05/1073787305.db2.gz WEKKWVILVSJBDU-ABAIWWIYSA-N 1 0 376.413 -0.597 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000419117749 1073787466 /nfs/dbraw/zinc/78/74/66/1073787466.db2.gz WEKKWVILVSJBDU-IAQYHMDHSA-N 1 0 376.413 -0.597 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000419117750 1073787087 /nfs/dbraw/zinc/78/70/87/1073787087.db2.gz WEKKWVILVSJBDU-NHYWBVRUSA-N 1 0 376.413 -0.597 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000419117751 1073787294 /nfs/dbraw/zinc/78/72/94/1073787294.db2.gz WEKKWVILVSJBDU-XHDPSFHLSA-N 1 0 376.413 -0.597 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419118106 1073787284 /nfs/dbraw/zinc/78/72/84/1073787284.db2.gz WKTYKQRGVXPYFM-HNNXBMFYSA-N 1 0 378.429 -0.349 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419118107 1073787459 /nfs/dbraw/zinc/78/74/59/1073787459.db2.gz WKTYKQRGVXPYFM-OAHLLOKOSA-N 1 0 378.429 -0.349 20 0 GBADRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419118241 1073787408 /nfs/dbraw/zinc/78/74/08/1073787408.db2.gz QVEKQMPGNKYMHC-HNNXBMFYSA-N 1 0 396.513 -0.624 20 0 GBADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419118242 1073787237 /nfs/dbraw/zinc/78/72/37/1073787237.db2.gz QVEKQMPGNKYMHC-OAHLLOKOSA-N 1 0 396.513 -0.624 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 ZINC000419118685 1073787265 /nfs/dbraw/zinc/78/72/65/1073787265.db2.gz RBOAVEFAYVCEMX-DLBZAZTESA-N 1 0 388.468 -0.005 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 ZINC000419118686 1073787478 /nfs/dbraw/zinc/78/74/78/1073787478.db2.gz RBOAVEFAYVCEMX-IAGOWNOFSA-N 1 0 388.468 -0.005 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 ZINC000419118687 1073786992 /nfs/dbraw/zinc/78/69/92/1073786992.db2.gz RBOAVEFAYVCEMX-IRXDYDNUSA-N 1 0 388.468 -0.005 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 ZINC000419118688 1073787398 /nfs/dbraw/zinc/78/73/98/1073787398.db2.gz RBOAVEFAYVCEMX-SJORKVTESA-N 1 0 388.468 -0.005 20 0 GBADRO CC(C)Oc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000419119525 1073787068 /nfs/dbraw/zinc/78/70/68/1073787068.db2.gz YGNKLYXODQOXEX-HNNXBMFYSA-N 1 0 391.472 -0.202 20 0 GBADRO CC(C)Oc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccn1 ZINC000419119526 1073787213 /nfs/dbraw/zinc/78/72/13/1073787213.db2.gz YGNKLYXODQOXEX-OAHLLOKOSA-N 1 0 391.472 -0.202 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2=O)c1 ZINC000419119529 1073787038 /nfs/dbraw/zinc/78/70/38/1073787038.db2.gz YGQSOGICCKYPSM-AWEZNQCLSA-N 1 0 378.429 -0.221 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2=O)c1 ZINC000419119530 1073787187 /nfs/dbraw/zinc/78/71/87/1073787187.db2.gz YGQSOGICCKYPSM-CQSZACIVSA-N 1 0 378.429 -0.221 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419119627 1073782768 /nfs/dbraw/zinc/78/27/68/1073782768.db2.gz SGGPXMLITPMRBK-UHFFFAOYSA-N 1 0 396.513 -0.010 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccn1 ZINC000419119856 1073782950 /nfs/dbraw/zinc/78/29/50/1073782950.db2.gz PNZAPSCXHXUHGE-GFCCVEGCSA-N 1 0 389.378 -0.341 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccn1 ZINC000419119857 1073782672 /nfs/dbraw/zinc/78/26/72/1073782672.db2.gz PNZAPSCXHXUHGE-LBPRGKRZSA-N 1 0 389.378 -0.341 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419119996 1072248293 /nfs/dbraw/zinc/24/82/93/1072248293.db2.gz YQBDSXPBOLKGSY-HNNXBMFYSA-N 1 0 378.429 -0.397 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419119997 1072248167 /nfs/dbraw/zinc/24/81/67/1072248167.db2.gz YQBDSXPBOLKGSY-OAHLLOKOSA-N 1 0 378.429 -0.397 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2=O)c1 ZINC000419120643 1073783708 /nfs/dbraw/zinc/78/37/08/1073783708.db2.gz ZUMZCTUDHCVCRU-BLLLJJGKSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2=O)c1 ZINC000419120648 1073783576 /nfs/dbraw/zinc/78/35/76/1073783576.db2.gz ZUMZCTUDHCVCRU-LRDDRELGSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2=O)c1 ZINC000419120652 1073783811 /nfs/dbraw/zinc/78/38/11/1073783811.db2.gz ZUMZCTUDHCVCRU-MLGOLLRUSA-N 1 0 390.440 -0.254 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2=O)c1 ZINC000419120656 1073783497 /nfs/dbraw/zinc/78/34/97/1073783497.db2.gz ZUMZCTUDHCVCRU-WBMJQRKESA-N 1 0 390.440 -0.254 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000419121030 1073782682 /nfs/dbraw/zinc/78/26/82/1073782682.db2.gz RFRYXMPUHDZWOJ-KRWDZBQOSA-N 1 0 383.537 -0.739 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000419121031 1073782918 /nfs/dbraw/zinc/78/29/18/1073782918.db2.gz RFRYXMPUHDZWOJ-QGZVFWFLSA-N 1 0 383.537 -0.739 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419121158 1073782552 /nfs/dbraw/zinc/78/25/52/1073782552.db2.gz AKKKMSNCPDWGQV-INIZCTEOSA-N 1 0 396.513 -0.096 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419121159 1073782884 /nfs/dbraw/zinc/78/28/84/1073782884.db2.gz AKKKMSNCPDWGQV-MRXNPFEDSA-N 1 0 396.513 -0.096 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C[C@H]1[NH3+] ZINC000419121536 1073782959 /nfs/dbraw/zinc/78/29/59/1073782959.db2.gz AUROJNPKEIKVCO-NVXWUHKLSA-N 1 0 390.484 -0.181 20 0 GBADRO COc1cc2c(cc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1)O[C@H](C)C2 ZINC000419122370 1073783365 /nfs/dbraw/zinc/78/33/65/1073783365.db2.gz FWDBOKMDCMUOAN-CYBMUJFWSA-N 1 0 376.457 -0.344 20 0 GBADRO COc1cc2c(cc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1)O[C@@H](C)C2 ZINC000419122375 1073783806 /nfs/dbraw/zinc/78/38/06/1073783806.db2.gz FWDBOKMDCMUOAN-ZDUSSCGKSA-N 1 0 376.457 -0.344 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000419122934 1073783452 /nfs/dbraw/zinc/78/34/52/1073783452.db2.gz XKIJJLUHYBQDTJ-UHFFFAOYSA-N 1 0 394.497 -0.304 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419123990 1073783663 /nfs/dbraw/zinc/78/36/63/1073783663.db2.gz HXVBMIATNOJLGB-AWEZNQCLSA-N 1 0 382.848 -0.319 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419123991 1073783765 /nfs/dbraw/zinc/78/37/65/1073783765.db2.gz HXVBMIATNOJLGB-CQSZACIVSA-N 1 0 382.848 -0.319 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419124418 1073783469 /nfs/dbraw/zinc/78/34/69/1073783469.db2.gz ZTNRWOWDHAXNSW-AWEZNQCLSA-N 1 0 382.486 -0.189 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419124420 1073783792 /nfs/dbraw/zinc/78/37/92/1073783792.db2.gz ZTNRWOWDHAXNSW-CQSZACIVSA-N 1 0 382.486 -0.189 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419124466 1073783410 /nfs/dbraw/zinc/78/34/10/1073783410.db2.gz ZVGLDNBXEAWPPX-UHFFFAOYSA-N 1 0 382.486 -0.237 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000419124647 1073783555 /nfs/dbraw/zinc/78/35/55/1073783555.db2.gz RHEQSOLRCGWCMF-UHFFFAOYSA-N 1 0 375.328 -0.588 20 0 GBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419125228 1073783680 /nfs/dbraw/zinc/78/36/80/1073783680.db2.gz JPXIBXMUSBOCCD-INIZCTEOSA-N 1 0 376.457 -0.354 20 0 GBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419125232 1073783354 /nfs/dbraw/zinc/78/33/54/1073783354.db2.gz JPXIBXMUSBOCCD-MRXNPFEDSA-N 1 0 376.457 -0.354 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCOCC1 ZINC000419125333 1073783342 /nfs/dbraw/zinc/78/33/42/1073783342.db2.gz ZHPXAVDHNFKMAI-DLBZAZTESA-N 1 0 384.521 -0.184 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCOCC1 ZINC000419125334 1073783798 /nfs/dbraw/zinc/78/37/98/1073783798.db2.gz ZHPXAVDHNFKMAI-IAGOWNOFSA-N 1 0 384.521 -0.184 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCOCC1 ZINC000419125335 1073783480 /nfs/dbraw/zinc/78/34/80/1073783480.db2.gz ZHPXAVDHNFKMAI-IRXDYDNUSA-N 1 0 384.521 -0.184 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N1CCOCC1 ZINC000419125336 1073783735 /nfs/dbraw/zinc/78/37/35/1073783735.db2.gz ZHPXAVDHNFKMAI-SJORKVTESA-N 1 0 384.521 -0.184 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000419125339 1073783598 /nfs/dbraw/zinc/78/35/98/1073783598.db2.gz ZJKNDKYYZZJYBJ-BRWVUGGUSA-N 1 0 384.521 -0.186 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000419125340 1073783427 /nfs/dbraw/zinc/78/34/27/1073783427.db2.gz ZJKNDKYYZZJYBJ-GVDBMIGSSA-N 1 0 384.521 -0.186 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000419125341 1073783729 /nfs/dbraw/zinc/78/37/29/1073783729.db2.gz ZJKNDKYYZZJYBJ-IXDOHACOSA-N 1 0 384.521 -0.186 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000419125342 1073783689 /nfs/dbraw/zinc/78/36/89/1073783689.db2.gz ZJKNDKYYZZJYBJ-YESZJQIVSA-N 1 0 384.521 -0.186 20 0 GBADRO COc1ccc(OC)c(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419125582 1073783569 /nfs/dbraw/zinc/78/35/69/1073783569.db2.gz KEPIEMKFLODBPN-CYBMUJFWSA-N 1 0 392.456 -0.367 20 0 GBADRO COc1ccc(OC)c(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419125583 1073783387 /nfs/dbraw/zinc/78/33/87/1073783387.db2.gz KEPIEMKFLODBPN-ZDUSSCGKSA-N 1 0 392.456 -0.367 20 0 GBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419126919 1073784790 /nfs/dbraw/zinc/78/47/90/1073784790.db2.gz OISPLHLEASPXLH-UHFFFAOYSA-N 1 0 375.473 -0.827 20 0 GBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419127238 1073784713 /nfs/dbraw/zinc/78/47/13/1073784713.db2.gz PFRIDHIHDNIWLA-INIZCTEOSA-N 1 0 376.457 -0.273 20 0 GBADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419127239 1073784750 /nfs/dbraw/zinc/78/47/50/1073784750.db2.gz PFRIDHIHDNIWLA-MRXNPFEDSA-N 1 0 376.457 -0.273 20 0 GBADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419127786 1073784762 /nfs/dbraw/zinc/78/47/62/1073784762.db2.gz SLPJZAYACIVHGR-UHFFFAOYSA-N 1 0 381.864 -0.793 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419128503 1073784373 /nfs/dbraw/zinc/78/43/73/1073784373.db2.gz ATHYDODJSKIIPW-YESZJQIVSA-N 1 0 386.500 -0.614 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419128504 1073784500 /nfs/dbraw/zinc/78/45/00/1073784500.db2.gz ATHYDODJSKIIPW-ZACQAIPSSA-N 1 0 386.500 -0.614 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128590 530348253 /nfs/dbraw/zinc/34/82/53/530348253.db2.gz BGTFNAVLCRUSAM-CYBMUJFWSA-N 1 0 388.877 -0.412 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128591 530348375 /nfs/dbraw/zinc/34/83/75/530348375.db2.gz BGTFNAVLCRUSAM-ZDUSSCGKSA-N 1 0 388.877 -0.412 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128886 530348511 /nfs/dbraw/zinc/34/85/11/530348511.db2.gz CEFSSJKLLYKUFP-CYBMUJFWSA-N 1 0 388.877 -0.412 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000419128888 530348532 /nfs/dbraw/zinc/34/85/32/530348532.db2.gz CEFSSJKLLYKUFP-ZDUSSCGKSA-N 1 0 388.877 -0.412 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419129126 1073786019 /nfs/dbraw/zinc/78/60/19/1073786019.db2.gz CPFDDQRYXVRLEQ-BBWFWOEESA-N 1 0 388.516 -0.178 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419129127 1073786178 /nfs/dbraw/zinc/78/61/78/1073786178.db2.gz CPFDDQRYXVRLEQ-BRWVUGGUSA-N 1 0 388.516 -0.178 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419129128 1073786363 /nfs/dbraw/zinc/78/63/63/1073786363.db2.gz CPFDDQRYXVRLEQ-GVDBMIGSSA-N 1 0 388.516 -0.178 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419129129 1073786512 /nfs/dbraw/zinc/78/65/12/1073786512.db2.gz CPFDDQRYXVRLEQ-ZACQAIPSSA-N 1 0 388.516 -0.178 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419129134 530348327 /nfs/dbraw/zinc/34/83/27/530348327.db2.gz CRBARCSZBMJNNX-LLVKDONJSA-N 1 0 388.877 -0.445 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419129135 530348548 /nfs/dbraw/zinc/34/85/48/530348548.db2.gz CRBARCSZBMJNNX-NSHDSACASA-N 1 0 388.877 -0.445 20 0 GBADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000419129735 1073788403 /nfs/dbraw/zinc/78/84/03/1073788403.db2.gz ADHUJUNBVDNBSO-DLBZAZTESA-N 1 0 388.472 -0.150 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000419129736 1073787992 /nfs/dbraw/zinc/78/79/92/1073787992.db2.gz ADHUJUNBVDNBSO-IAGOWNOFSA-N 1 0 388.472 -0.150 20 0 GBADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000419129737 1073788184 /nfs/dbraw/zinc/78/81/84/1073788184.db2.gz ADHUJUNBVDNBSO-IRXDYDNUSA-N 1 0 388.472 -0.150 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000419129738 1073788137 /nfs/dbraw/zinc/78/81/37/1073788137.db2.gz ADHUJUNBVDNBSO-SJORKVTESA-N 1 0 388.472 -0.150 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC(C[NH3+])CC2)s1 ZINC000419129787 530348291 /nfs/dbraw/zinc/34/82/91/530348291.db2.gz AJZCEBYABUJJGI-UHFFFAOYSA-N 1 0 388.515 -0.352 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419129894 1073788470 /nfs/dbraw/zinc/78/84/70/1073788470.db2.gz DRJGGXWBMKPEFH-DLBZAZTESA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419129897 1073788511 /nfs/dbraw/zinc/78/85/11/1073788511.db2.gz DRJGGXWBMKPEFH-IAGOWNOFSA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419129899 1073788236 /nfs/dbraw/zinc/78/82/36/1073788236.db2.gz DRJGGXWBMKPEFH-IRXDYDNUSA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419129901 1073788210 /nfs/dbraw/zinc/78/82/10/1073788210.db2.gz DRJGGXWBMKPEFH-SJORKVTESA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419129976 1073787894 /nfs/dbraw/zinc/78/78/94/1073787894.db2.gz DVQNQVOVVLOQBF-DLBZAZTESA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419129978 1073788192 /nfs/dbraw/zinc/78/81/92/1073788192.db2.gz DVQNQVOVVLOQBF-IAGOWNOFSA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419129979 1073788356 /nfs/dbraw/zinc/78/83/56/1073788356.db2.gz DVQNQVOVVLOQBF-IRXDYDNUSA-N 1 0 388.516 -0.176 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419129981 1073788261 /nfs/dbraw/zinc/78/82/61/1073788261.db2.gz DVQNQVOVVLOQBF-SJORKVTESA-N 1 0 388.516 -0.176 20 0 GBADRO O=C(NCCOC(F)(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419130121 530348527 /nfs/dbraw/zinc/34/85/27/530348527.db2.gz CBTQSOZTDZDINS-MRVPVSSYSA-N 1 0 380.289 -0.409 20 0 GBADRO O=C(NCCOC(F)(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419130122 530348243 /nfs/dbraw/zinc/34/82/43/530348243.db2.gz CBTQSOZTDZDINS-QMMMGPOBSA-N 1 0 380.289 -0.409 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)s1 ZINC000419130172 530348504 /nfs/dbraw/zinc/34/85/04/530348504.db2.gz AXCLSJXPCBUSEM-GFCCVEGCSA-N 1 0 388.515 -0.291 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419130217 1073788057 /nfs/dbraw/zinc/78/80/57/1073788057.db2.gz DYKNTXAWKGWICK-BRWVUGGUSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419130222 1073788365 /nfs/dbraw/zinc/78/83/65/1073788365.db2.gz DYKNTXAWKGWICK-IKGGRYGDSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419130224 1073788159 /nfs/dbraw/zinc/78/81/59/1073788159.db2.gz DYKNTXAWKGWICK-IXDOHACOSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419130225 1073787872 /nfs/dbraw/zinc/78/78/72/1073787872.db2.gz DYKNTXAWKGWICK-ZACQAIPSSA-N 1 0 388.516 -0.083 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCC[NH2+]CC1 ZINC000419130238 530348303 /nfs/dbraw/zinc/34/83/03/530348303.db2.gz FACHJUKWKCECDQ-UHFFFAOYSA-N 1 0 388.877 -0.444 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419130287 1073788007 /nfs/dbraw/zinc/78/80/07/1073788007.db2.gz FDLZDAIJCACXCY-BBWFWOEESA-N 1 0 386.500 -0.471 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419130288 1073788410 /nfs/dbraw/zinc/78/84/10/1073788410.db2.gz FDLZDAIJCACXCY-ZACQAIPSSA-N 1 0 386.500 -0.471 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419130341 530348353 /nfs/dbraw/zinc/34/83/53/530348353.db2.gz FJUYXFQUUIBESZ-UHFFFAOYSA-N 1 0 376.866 -0.540 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccc(Cl)cc2)CCCO1 ZINC000419130375 1073788345 /nfs/dbraw/zinc/78/83/45/1073788345.db2.gz ZXEPTPXIKYOKRU-AWEZNQCLSA-N 1 0 382.848 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccc(Cl)cc2)CCCO1 ZINC000419130378 1073788306 /nfs/dbraw/zinc/78/83/06/1073788306.db2.gz ZXEPTPXIKYOKRU-CQSZACIVSA-N 1 0 382.848 -0.238 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419130650 1073788986 /nfs/dbraw/zinc/78/89/86/1073788986.db2.gz BJONBJUGVYFXOW-OAHLLOKOSA-N 1 0 378.473 -0.275 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419131685 1073789213 /nfs/dbraw/zinc/78/92/13/1073789213.db2.gz CSLPQUIFYRCHRO-UHFFFAOYSA-N 1 0 378.473 -0.133 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419131863 530348466 /nfs/dbraw/zinc/34/84/66/530348466.db2.gz HDNDBHZELAYSMP-JTQLQIEISA-N 1 0 376.866 -0.555 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419131864 530348523 /nfs/dbraw/zinc/34/85/23/530348523.db2.gz HDNDBHZELAYSMP-SNVBAGLBSA-N 1 0 376.866 -0.555 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000419132069 530348334 /nfs/dbraw/zinc/34/83/34/530348334.db2.gz DKIIQQQFDCDKIT-CMPLNLGQSA-N 1 0 388.515 -0.353 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000419132072 530348348 /nfs/dbraw/zinc/34/83/48/530348348.db2.gz DKIIQQQFDCDKIT-JQWIXIFHSA-N 1 0 388.515 -0.353 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000419132075 530348540 /nfs/dbraw/zinc/34/85/40/530348540.db2.gz DKIIQQQFDCDKIT-PWSUYJOCSA-N 1 0 388.515 -0.353 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000419132077 530348285 /nfs/dbraw/zinc/34/82/85/530348285.db2.gz DKIIQQQFDCDKIT-ZYHUDNBSSA-N 1 0 388.515 -0.353 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419132238 1073789176 /nfs/dbraw/zinc/78/91/76/1073789176.db2.gz DQRPABXAXDHZGJ-HRCADAONSA-N 1 0 394.497 -0.520 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419132239 1073789120 /nfs/dbraw/zinc/78/91/20/1073789120.db2.gz DQRPABXAXDHZGJ-OWCLPIDISA-N 1 0 394.497 -0.520 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419132482 530348351 /nfs/dbraw/zinc/34/83/51/530348351.db2.gz HSWNQCUAZSYLRR-CYBMUJFWSA-N 1 0 390.893 -0.166 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419132489 530348552 /nfs/dbraw/zinc/34/85/52/530348552.db2.gz HSWNQCUAZSYLRR-ZDUSSCGKSA-N 1 0 390.893 -0.166 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419132531 1073789322 /nfs/dbraw/zinc/78/93/22/1073789322.db2.gz HVHNVZBIYGYLTD-JXFKEZNVSA-N 1 0 388.516 -0.094 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419132538 1073789238 /nfs/dbraw/zinc/78/92/38/1073789238.db2.gz HVHNVZBIYGYLTD-OXJNMPFZSA-N 1 0 388.516 -0.094 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419132539 1073789154 /nfs/dbraw/zinc/78/91/54/1073789154.db2.gz HVHNVZBIYGYLTD-OXQOHEQNSA-N 1 0 388.516 -0.094 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419132540 1073789053 /nfs/dbraw/zinc/78/90/53/1073789053.db2.gz HVHNVZBIYGYLTD-UZLBHIALSA-N 1 0 388.516 -0.094 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419132543 530348247 /nfs/dbraw/zinc/34/82/47/530348247.db2.gz HVKYNCNGOLLPEK-GFCCVEGCSA-N 1 0 388.877 -0.397 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419132545 530348413 /nfs/dbraw/zinc/34/84/13/530348413.db2.gz HVKYNCNGOLLPEK-LBPRGKRZSA-N 1 0 388.877 -0.397 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419132766 1072249644 /nfs/dbraw/zinc/24/96/44/1072249644.db2.gz FGGZSMKNQJYRFV-UHFFFAOYSA-N 1 0 378.473 -0.308 20 0 GBADRO CN(C(=O)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419133086 1073789144 /nfs/dbraw/zinc/78/91/44/1073789144.db2.gz ILPNXSJWQMUKOH-STQMWFEESA-N 1 0 393.831 -0.160 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419133401 1073789069 /nfs/dbraw/zinc/78/90/69/1073789069.db2.gz INWJBHYYXVDWGD-GASCZTMLSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@H]1CN(C(=O)c2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419133403 1073789402 /nfs/dbraw/zinc/78/94/02/1073789402.db2.gz INWJBHYYXVDWGD-GJZGRUSLSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)C(=O)N3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000419133406 1073789132 /nfs/dbraw/zinc/78/91/32/1073789132.db2.gz INWJBHYYXVDWGD-HUUCEWRRSA-N 1 0 388.468 -0.016 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[NH2+]1 ZINC000419133882 530348440 /nfs/dbraw/zinc/34/84/40/530348440.db2.gz IZYLXGSVFBLJED-LLVKDONJSA-N 1 0 388.877 -0.445 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[NH2+]1 ZINC000419133884 530348314 /nfs/dbraw/zinc/34/83/14/530348314.db2.gz IZYLXGSVFBLJED-NSHDSACASA-N 1 0 388.877 -0.445 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419133888 1073789413 /nfs/dbraw/zinc/78/94/13/1073789413.db2.gz JAUNBQVECQWBBZ-INIZCTEOSA-N 1 0 388.516 -0.094 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419133890 1073789103 /nfs/dbraw/zinc/78/91/03/1073789103.db2.gz JAUNBQVECQWBBZ-MRXNPFEDSA-N 1 0 388.516 -0.094 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)s1 ZINC000419134111 530347945 /nfs/dbraw/zinc/34/79/45/530347945.db2.gz GZNQBXWOMKJQQJ-UHFFFAOYSA-N 1 0 388.515 -0.339 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419134956 530348392 /nfs/dbraw/zinc/34/83/92/530348392.db2.gz LJGDSZILGHILLY-UHFFFAOYSA-N 1 0 390.893 -0.150 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419135265 1073789034 /nfs/dbraw/zinc/78/90/34/1073789034.db2.gz MGKNGFGAJRHLMU-INIZCTEOSA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419135266 1073788961 /nfs/dbraw/zinc/78/89/61/1073788961.db2.gz MGKNGFGAJRHLMU-MRXNPFEDSA-N 1 0 388.516 -0.033 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419135408 530348360 /nfs/dbraw/zinc/34/83/60/530348360.db2.gz MODYIOUZSPRCGA-UHFFFAOYSA-N 1 0 390.893 -0.198 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419135456 1073788921 /nfs/dbraw/zinc/78/89/21/1073788921.db2.gz MTGZZSWLPHVOQA-CVEARBPZSA-N 1 0 376.505 -0.192 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419135457 1073789353 /nfs/dbraw/zinc/78/93/53/1073789353.db2.gz MTGZZSWLPHVOQA-HOTGVXAUSA-N 1 0 376.505 -0.192 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419135458 1073789369 /nfs/dbraw/zinc/78/93/69/1073789369.db2.gz MTGZZSWLPHVOQA-HZPDHXFCSA-N 1 0 376.505 -0.192 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419135459 1073789000 /nfs/dbraw/zinc/78/90/00/1073789000.db2.gz MTGZZSWLPHVOQA-JKSUJKDBSA-N 1 0 376.505 -0.192 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419135460 530348338 /nfs/dbraw/zinc/34/83/38/530348338.db2.gz MTHRIHHSGZQTIE-LLVKDONJSA-N 1 0 390.893 -0.151 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419135505 530348486 /nfs/dbraw/zinc/34/84/86/530348486.db2.gz MZHOUYRGPIHHQW-UHFFFAOYSA-N 1 0 376.866 -0.410 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419135810 1073790143 /nfs/dbraw/zinc/79/01/43/1073790143.db2.gz NQNRWYQRGJVUOC-DLBZAZTESA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419135811 1073789973 /nfs/dbraw/zinc/78/99/73/1073789973.db2.gz NQNRWYQRGJVUOC-IAGOWNOFSA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419135812 1073790432 /nfs/dbraw/zinc/79/04/32/1073790432.db2.gz NQNRWYQRGJVUOC-IRXDYDNUSA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419135813 1073789905 /nfs/dbraw/zinc/78/99/05/1073789905.db2.gz NQNRWYQRGJVUOC-SJORKVTESA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000419136108 1073790117 /nfs/dbraw/zinc/79/01/17/1073790117.db2.gz OJXSFPOHQAHWGX-BRWVUGGUSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419136109 1073790277 /nfs/dbraw/zinc/79/02/77/1073790277.db2.gz OJXSFPOHQAHWGX-IKGGRYGDSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419136110 1073790323 /nfs/dbraw/zinc/79/03/23/1073790323.db2.gz OJXSFPOHQAHWGX-IXDOHACOSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000419136111 1073790199 /nfs/dbraw/zinc/79/01/99/1073790199.db2.gz OJXSFPOHQAHWGX-ZACQAIPSSA-N 1 0 388.516 -0.096 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC1 ZINC000419136389 530348342 /nfs/dbraw/zinc/34/83/42/530348342.db2.gz OYNSEVGOWVXQSG-UHFFFAOYSA-N 1 0 388.877 -0.268 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136532 1073790377 /nfs/dbraw/zinc/79/03/77/1073790377.db2.gz PHFGBDNORKSSJP-DLBZAZTESA-N 1 0 388.516 -0.081 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136535 1073790302 /nfs/dbraw/zinc/79/03/02/1073790302.db2.gz PHFGBDNORKSSJP-IAGOWNOFSA-N 1 0 388.516 -0.081 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136538 1073789840 /nfs/dbraw/zinc/78/98/40/1073789840.db2.gz PHFGBDNORKSSJP-IRXDYDNUSA-N 1 0 388.516 -0.081 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136541 1073790103 /nfs/dbraw/zinc/79/01/03/1073790103.db2.gz PHFGBDNORKSSJP-SJORKVTESA-N 1 0 388.516 -0.081 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136699 1073791382 /nfs/dbraw/zinc/79/13/82/1073791382.db2.gz PMEJMIUMYHYSGC-CVEARBPZSA-N 1 0 376.505 -0.320 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136701 1073791087 /nfs/dbraw/zinc/79/10/87/1073791087.db2.gz PMEJMIUMYHYSGC-HOTGVXAUSA-N 1 0 376.505 -0.320 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136704 1073791251 /nfs/dbraw/zinc/79/12/51/1073791251.db2.gz PMEJMIUMYHYSGC-HZPDHXFCSA-N 1 0 376.505 -0.320 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419136706 1073790850 /nfs/dbraw/zinc/79/08/50/1073790850.db2.gz PMEJMIUMYHYSGC-JKSUJKDBSA-N 1 0 376.505 -0.320 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419136751 1073790864 /nfs/dbraw/zinc/79/08/64/1073790864.db2.gz PNYMZOXPJXNIFR-INIZCTEOSA-N 1 0 388.516 -0.081 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419136752 1073790816 /nfs/dbraw/zinc/79/08/16/1073790816.db2.gz PNYMZOXPJXNIFR-MRXNPFEDSA-N 1 0 388.516 -0.081 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419136871 1073790035 /nfs/dbraw/zinc/79/00/35/1073790035.db2.gz PUMWVOCKPQLWCA-BRWVUGGUSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419136873 1073790351 /nfs/dbraw/zinc/79/03/51/1073790351.db2.gz PUMWVOCKPQLWCA-IKGGRYGDSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419136875 1073791011 /nfs/dbraw/zinc/79/10/11/1073791011.db2.gz PUMWVOCKPQLWCA-YESZJQIVSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419136878 1073791060 /nfs/dbraw/zinc/79/10/60/1073791060.db2.gz PUMWVOCKPQLWCA-ZACQAIPSSA-N 1 0 388.516 -0.083 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419137107 1073790264 /nfs/dbraw/zinc/79/02/64/1073790264.db2.gz QCTHACROHDGDDZ-BBWFWOEESA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419137109 1073789997 /nfs/dbraw/zinc/78/99/97/1073789997.db2.gz QCTHACROHDGDDZ-BRWVUGGUSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419137111 1073790214 /nfs/dbraw/zinc/79/02/14/1073790214.db2.gz QCTHACROHDGDDZ-GVDBMIGSSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419137113 1073790160 /nfs/dbraw/zinc/79/01/60/1073790160.db2.gz QCTHACROHDGDDZ-ZACQAIPSSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419137148 530348372 /nfs/dbraw/zinc/34/83/72/530348372.db2.gz QDYONKVGCLOPRH-JTQLQIEISA-N 1 0 376.866 -0.412 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419137150 530348484 /nfs/dbraw/zinc/34/84/84/530348484.db2.gz QDYONKVGCLOPRH-SNVBAGLBSA-N 1 0 376.866 -0.412 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419137185 1073790395 /nfs/dbraw/zinc/79/03/95/1073790395.db2.gz QFAXZFHFJCLPLI-BRWVUGGUSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419137187 1073790011 /nfs/dbraw/zinc/79/00/11/1073790011.db2.gz QFAXZFHFJCLPLI-IKGGRYGDSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419137189 1073789952 /nfs/dbraw/zinc/78/99/52/1073789952.db2.gz QFAXZFHFJCLPLI-IXDOHACOSA-N 1 0 388.516 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419137191 1073789869 /nfs/dbraw/zinc/78/98/69/1073789869.db2.gz QFAXZFHFJCLPLI-ZACQAIPSSA-N 1 0 388.516 -0.096 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000419137386 530348260 /nfs/dbraw/zinc/34/82/60/530348260.db2.gz QLDQDHMBFPXLGF-GFCCVEGCSA-N 1 0 388.877 -0.316 20 0 GBADRO O=C(NCCOC(F)(F)F)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419138051 1073787249 /nfs/dbraw/zinc/78/72/49/1073787249.db2.gz PZVNPMQKZJXIPR-LLVKDONJSA-N 1 0 380.367 -0.691 20 0 GBADRO O=C(NCCOC(F)(F)F)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419138056 1073787019 /nfs/dbraw/zinc/78/70/19/1073787019.db2.gz PZVNPMQKZJXIPR-NSHDSACASA-N 1 0 380.367 -0.691 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419138078 530348521 /nfs/dbraw/zinc/34/85/21/530348521.db2.gz SBIMPMSSWYQLAV-UHFFFAOYSA-N 1 0 376.866 -0.412 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000419138129 530348234 /nfs/dbraw/zinc/34/82/34/530348234.db2.gz SEBGSXJXKOFGGK-UHFFFAOYSA-N 1 0 388.877 -0.316 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419138341 530348458 /nfs/dbraw/zinc/34/84/58/530348458.db2.gz SLDUMTYRPGZKHX-GFCCVEGCSA-N 1 0 388.877 -0.397 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419138342 530348257 /nfs/dbraw/zinc/34/82/57/530348257.db2.gz SLDUMTYRPGZKHX-LBPRGKRZSA-N 1 0 388.877 -0.397 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419139126 530348235 /nfs/dbraw/zinc/34/82/35/530348235.db2.gz UGJDJIASIPHFJO-JTQLQIEISA-N 1 0 376.866 -0.460 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419139129 530348514 /nfs/dbraw/zinc/34/85/14/530348514.db2.gz UGJDJIASIPHFJO-SNVBAGLBSA-N 1 0 376.866 -0.460 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419139427 530077127 /nfs/dbraw/zinc/07/71/27/530077127.db2.gz URORLOWHZVTMHU-UHFFFAOYSA-N 1 0 376.866 -0.588 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CCO1 ZINC000419139701 1073791966 /nfs/dbraw/zinc/79/19/66/1073791966.db2.gz BHIFZAVUBAHCAF-SECBINFHSA-N 1 0 376.339 -0.790 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CCO1 ZINC000419139702 1073792166 /nfs/dbraw/zinc/79/21/66/1073792166.db2.gz BHIFZAVUBAHCAF-VIFPVBQESA-N 1 0 376.339 -0.790 20 0 GBADRO COc1cc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000419140541 1073791918 /nfs/dbraw/zinc/79/19/18/1073791918.db2.gz UIECWEIRHCZFJE-INIZCTEOSA-N 1 0 390.484 -0.024 20 0 GBADRO COc1cc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000419140542 1073792039 /nfs/dbraw/zinc/79/20/39/1073792039.db2.gz UIECWEIRHCZFJE-MRXNPFEDSA-N 1 0 390.484 -0.024 20 0 GBADRO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)nc2c1 ZINC000419140900 1073792074 /nfs/dbraw/zinc/79/20/74/1073792074.db2.gz URKFVCMUAHYPPP-CYBMUJFWSA-N 1 0 386.456 -0.199 20 0 GBADRO Cc1ccc2[nH]c(CNC(=O)C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)nc2c1 ZINC000419140901 1073791877 /nfs/dbraw/zinc/79/18/77/1073791877.db2.gz URKFVCMUAHYPPP-ZDUSSCGKSA-N 1 0 386.456 -0.199 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000419141352 530348271 /nfs/dbraw/zinc/34/82/71/530348271.db2.gz WYTQKZLHUUJHLJ-LLVKDONJSA-N 1 0 388.877 -0.458 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000419141353 530348464 /nfs/dbraw/zinc/34/84/64/530348464.db2.gz WYTQKZLHUUJHLJ-NSHDSACASA-N 1 0 388.877 -0.458 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419141823 530348438 /nfs/dbraw/zinc/34/84/38/530348438.db2.gz XKGKNGAKYGYJTM-LLVKDONJSA-N 1 0 390.893 -0.294 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419141824 530348320 /nfs/dbraw/zinc/34/83/20/530348320.db2.gz XKGKNGAKYGYJTM-NSHDSACASA-N 1 0 390.893 -0.294 20 0 GBADRO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419141923 1073792728 /nfs/dbraw/zinc/79/27/28/1073792728.db2.gz BGJKOPXCNSVEFA-DLBZAZTESA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419141924 1073793003 /nfs/dbraw/zinc/79/30/03/1073793003.db2.gz BGJKOPXCNSVEFA-IAGOWNOFSA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419141926 1073793245 /nfs/dbraw/zinc/79/32/45/1073793245.db2.gz BGJKOPXCNSVEFA-IRXDYDNUSA-N 1 0 394.447 -0.580 20 0 GBADRO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419141928 1073793056 /nfs/dbraw/zinc/79/30/56/1073793056.db2.gz BGJKOPXCNSVEFA-SJORKVTESA-N 1 0 394.447 -0.580 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000419142381 530348448 /nfs/dbraw/zinc/34/84/48/530348448.db2.gz XWALKAOYRWMUFU-GFCCVEGCSA-N 1 0 388.877 -0.445 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000419142384 530348462 /nfs/dbraw/zinc/34/84/62/530348462.db2.gz XWALKAOYRWMUFU-LBPRGKRZSA-N 1 0 388.877 -0.445 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419142462 1073792099 /nfs/dbraw/zinc/79/20/99/1073792099.db2.gz YBHKJCMMYBOLKC-CVEARBPZSA-N 1 0 376.505 -0.178 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419142464 1073792027 /nfs/dbraw/zinc/79/20/27/1073792027.db2.gz YBHKJCMMYBOLKC-HZPDHXFCSA-N 1 0 376.505 -0.178 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419142548 1073792128 /nfs/dbraw/zinc/79/21/28/1073792128.db2.gz YIOGXRRPLLOLRT-INIZCTEOSA-N 1 0 376.505 -0.176 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419142550 1073792289 /nfs/dbraw/zinc/79/22/89/1073792289.db2.gz YIOGXRRPLLOLRT-MRXNPFEDSA-N 1 0 376.505 -0.176 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000419143040 530348495 /nfs/dbraw/zinc/34/84/95/530348495.db2.gz YOVIRSQFCHGZGY-UHFFFAOYSA-N 1 0 376.866 -0.540 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419143153 1073793040 /nfs/dbraw/zinc/79/30/40/1073793040.db2.gz YXVYADOPVROMBO-INIZCTEOSA-N 1 0 376.505 -0.224 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000419143154 1073792975 /nfs/dbraw/zinc/79/29/75/1073792975.db2.gz YXVYADOPVROMBO-MRXNPFEDSA-N 1 0 376.505 -0.224 20 0 GBADRO COC(=O)CCCOc1ccc(CNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000419143663 1073792961 /nfs/dbraw/zinc/79/29/61/1073792961.db2.gz ZJZXZKRYBWOXBT-HOTGVXAUSA-N 1 0 393.440 -0.574 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419143674 1073793232 /nfs/dbraw/zinc/79/32/32/1073793232.db2.gz ZLKSRZVQRCZGJY-DLBZAZTESA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419143675 1073792915 /nfs/dbraw/zinc/79/29/15/1073792915.db2.gz ZLKSRZVQRCZGJY-IAGOWNOFSA-N 1 0 388.516 -0.033 20 0 GBADRO O=C(NCCn1cncn1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419143909 1073792848 /nfs/dbraw/zinc/79/28/48/1073792848.db2.gz DUBDRSRWASSGAF-DOMZBBRYSA-N 1 0 378.383 -0.066 20 0 GBADRO O=C(NCCn1cncn1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419143926 1073792745 /nfs/dbraw/zinc/79/27/45/1073792745.db2.gz DUBDRSRWASSGAF-IUODEOHRSA-N 1 0 378.383 -0.066 20 0 GBADRO O=C(NCCn1cncn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419143929 1073792782 /nfs/dbraw/zinc/79/27/82/1073792782.db2.gz DUBDRSRWASSGAF-SWLSCSKDSA-N 1 0 378.383 -0.066 20 0 GBADRO O=C(NCCn1cncn1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419143932 1073793112 /nfs/dbraw/zinc/79/31/12/1073793112.db2.gz DUBDRSRWASSGAF-WFASDCNBSA-N 1 0 378.383 -0.066 20 0 GBADRO COC(=O)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419144161 1073792949 /nfs/dbraw/zinc/79/29/49/1073792949.db2.gz ZVOHFMLDZVFYKY-INIZCTEOSA-N 1 0 393.440 -0.179 20 0 GBADRO COC(=O)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419144162 1073793268 /nfs/dbraw/zinc/79/32/68/1073793268.db2.gz ZVOHFMLDZVFYKY-MRXNPFEDSA-N 1 0 393.440 -0.179 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C(C)(C)C ZINC000419144169 1073793093 /nfs/dbraw/zinc/79/30/93/1073793093.db2.gz ZVVFLKNBCMXCQD-CVEARBPZSA-N 1 0 395.548 -0.108 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C(C)(C)C ZINC000419144170 1073792931 /nfs/dbraw/zinc/79/29/31/1073792931.db2.gz ZVVFLKNBCMXCQD-HOTGVXAUSA-N 1 0 395.548 -0.108 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C(C)(C)C ZINC000419144171 1073793186 /nfs/dbraw/zinc/79/31/86/1073793186.db2.gz ZVVFLKNBCMXCQD-HZPDHXFCSA-N 1 0 395.548 -0.108 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C(C)(C)C ZINC000419144172 1073793222 /nfs/dbraw/zinc/79/32/22/1073793222.db2.gz ZVVFLKNBCMXCQD-JKSUJKDBSA-N 1 0 395.548 -0.108 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419144342 1072252030 /nfs/dbraw/zinc/25/20/30/1072252030.db2.gz GSCFLJGWZFCDGK-UHFFFAOYSA-N 1 0 378.473 -0.308 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCn2cnc3ccccc32)C1 ZINC000419144434 1073793210 /nfs/dbraw/zinc/79/32/10/1073793210.db2.gz JNEGNOVRAYWAEO-AWEZNQCLSA-N 1 0 386.456 -0.534 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cnc3ccccc32)C1 ZINC000419144437 1073793021 /nfs/dbraw/zinc/79/30/21/1073793021.db2.gz JNEGNOVRAYWAEO-CQSZACIVSA-N 1 0 386.456 -0.534 20 0 GBADRO COc1ccc(CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000419144492 1073793229 /nfs/dbraw/zinc/79/32/29/1073793229.db2.gz FIYKJRLQRGFPKX-UHFFFAOYSA-N 1 0 378.473 -0.226 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419144913 1073792885 /nfs/dbraw/zinc/79/28/85/1073792885.db2.gz HAICOAXBESUEFX-INIZCTEOSA-N 1 0 376.457 -0.427 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419144914 1073793162 /nfs/dbraw/zinc/79/31/62/1073793162.db2.gz HAICOAXBESUEFX-MRXNPFEDSA-N 1 0 376.457 -0.427 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419145369 1073792855 /nfs/dbraw/zinc/79/28/55/1073792855.db2.gz HKJWXERGBRBPHV-INIZCTEOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419145385 1073793195 /nfs/dbraw/zinc/79/31/95/1073793195.db2.gz HKJWXERGBRBPHV-MRXNPFEDSA-N 1 0 390.484 -0.166 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N1CC[NH2+]CC1 ZINC000419145611 1073792804 /nfs/dbraw/zinc/79/28/04/1073792804.db2.gz HQLKVBHJSSRJHJ-UHFFFAOYSA-N 1 0 376.457 -0.554 20 0 GBADRO COc1cc(F)cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419145669 1073793582 /nfs/dbraw/zinc/79/35/82/1073793582.db2.gz ZACICKIGHFZYQQ-CYBMUJFWSA-N 1 0 380.420 -0.236 20 0 GBADRO COc1cc(F)cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419145678 1073793529 /nfs/dbraw/zinc/79/35/29/1073793529.db2.gz ZACICKIGHFZYQQ-ZDUSSCGKSA-N 1 0 380.420 -0.236 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419146275 1073794030 /nfs/dbraw/zinc/79/40/30/1073794030.db2.gz IFBVLCBTTDRJNW-KRWDZBQOSA-N 1 0 390.484 -0.118 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419146278 1073793954 /nfs/dbraw/zinc/79/39/54/1073793954.db2.gz IFBVLCBTTDRJNW-QGZVFWFLSA-N 1 0 390.484 -0.118 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419146316 1073793871 /nfs/dbraw/zinc/79/38/71/1073793871.db2.gz IIQOZXGKRUIKAY-QGZVFWFLSA-N 1 0 390.484 -0.037 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)N1CC[NH2+]CC1 ZINC000419146790 1073793696 /nfs/dbraw/zinc/79/36/96/1073793696.db2.gz IMNDDLBVLQPELJ-UHFFFAOYSA-N 1 0 376.457 -0.554 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419147236 530348295 /nfs/dbraw/zinc/34/82/95/530348295.db2.gz IBIUEGPRJGSEPT-JTQLQIEISA-N 1 0 376.504 -0.577 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419147237 530348446 /nfs/dbraw/zinc/34/84/46/530348446.db2.gz IBIUEGPRJGSEPT-SNVBAGLBSA-N 1 0 376.504 -0.577 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)CC[NH2+]1 ZINC000419147720 1073790981 /nfs/dbraw/zinc/79/09/81/1073790981.db2.gz JNGDETCYZDYJDO-INIZCTEOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)CC[NH2+]1 ZINC000419147722 1073790892 /nfs/dbraw/zinc/79/08/92/1073790892.db2.gz JNGDETCYZDYJDO-MRXNPFEDSA-N 1 0 390.484 -0.166 20 0 GBADRO CCCOc1ncccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419147734 1073791134 /nfs/dbraw/zinc/79/11/34/1073791134.db2.gz JPXMVKVLLMVAOD-HNNXBMFYSA-N 1 0 391.472 -0.200 20 0 GBADRO CCCOc1ncccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419147735 1073791320 /nfs/dbraw/zinc/79/13/20/1073791320.db2.gz JPXMVKVLLMVAOD-OAHLLOKOSA-N 1 0 391.472 -0.200 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419147825 530348425 /nfs/dbraw/zinc/34/84/25/530348425.db2.gz IQTLDTHGGIQMTM-UHFFFAOYSA-N 1 0 376.504 -0.433 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419148049 1073791146 /nfs/dbraw/zinc/79/11/46/1073791146.db2.gz NXQISNVRYQCTDL-HNNXBMFYSA-N 1 0 375.473 -0.318 20 0 GBADRO CN(C)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419148060 1073790779 /nfs/dbraw/zinc/79/07/79/1073790779.db2.gz NXQISNVRYQCTDL-OAHLLOKOSA-N 1 0 375.473 -0.318 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C[C@H]1[NH3+] ZINC000419148708 1073791153 /nfs/dbraw/zinc/79/11/53/1073791153.db2.gz KGSKHJCHOMGQOP-CRAIPNDOSA-N 1 0 390.484 -0.181 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419148752 1073791461 /nfs/dbraw/zinc/79/14/61/1073791461.db2.gz KNABGCJUZNJVQF-INIZCTEOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419148753 1073791272 /nfs/dbraw/zinc/79/12/72/1073791272.db2.gz KNABGCJUZNJVQF-MRXNPFEDSA-N 1 0 390.484 -0.166 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000419148781 530348411 /nfs/dbraw/zinc/34/84/11/530348411.db2.gz JFOCQOLUYHGSJC-NEPJUHHUSA-N 1 0 386.499 -0.729 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)s1 ZINC000419148857 530348250 /nfs/dbraw/zinc/34/82/50/530348250.db2.gz JQLKIRIJZUQPJV-GFCCVEGCSA-N 1 0 390.531 -0.059 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)s1 ZINC000419148858 530348506 /nfs/dbraw/zinc/34/85/06/530348506.db2.gz JQLKIRIJZUQPJV-LBPRGKRZSA-N 1 0 390.531 -0.059 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419150160 530348518 /nfs/dbraw/zinc/34/85/18/530348518.db2.gz KUAPPAIKGAJHRM-UHFFFAOYSA-N 1 0 376.504 -0.481 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419150178 1073790920 /nfs/dbraw/zinc/79/09/20/1073790920.db2.gz LZKSEJRQHVAKPO-KRWDZBQOSA-N 1 0 390.484 -0.037 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419150180 1073791043 /nfs/dbraw/zinc/79/10/43/1073791043.db2.gz LZKSEJRQHVAKPO-QGZVFWFLSA-N 1 0 390.484 -0.037 20 0 GBADRO O=C(NCCNc1nccc(C(F)(F)F)n1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419150686 1073790801 /nfs/dbraw/zinc/79/08/01/1073790801.db2.gz RJYYMKFOYNPQGK-UHFFFAOYSA-N 1 0 389.382 -0.955 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419151093 1073791418 /nfs/dbraw/zinc/79/14/18/1073791418.db2.gz NAMNNJGEFBKPKQ-HNNXBMFYSA-N 1 0 378.473 -0.181 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419151095 1073791332 /nfs/dbraw/zinc/79/13/32/1073791332.db2.gz NAMNNJGEFBKPKQ-OAHLLOKOSA-N 1 0 378.473 -0.181 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419151776 1073790839 /nfs/dbraw/zinc/79/08/39/1073790839.db2.gz NTCUONXSZIDHRB-UHFFFAOYSA-N 1 0 378.473 -0.133 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000419151901 530348397 /nfs/dbraw/zinc/34/83/97/530348397.db2.gz MSZAGWVQVQIPQW-TXEJJXNPSA-N 1 0 386.499 -0.871 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)s1 ZINC000419151906 530348275 /nfs/dbraw/zinc/34/82/75/530348275.db2.gz MTTHAHJXVYPOQI-GHMZBOCLSA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000419151907 530348310 /nfs/dbraw/zinc/34/83/10/530348310.db2.gz MTTHAHJXVYPOQI-MNOVXSKESA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)s1 ZINC000419151908 530348356 /nfs/dbraw/zinc/34/83/56/530348356.db2.gz MTTHAHJXVYPOQI-QWRGUYRKSA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)s1 ZINC000419151909 530348946 /nfs/dbraw/zinc/34/89/46/530348946.db2.gz MTTHAHJXVYPOQI-WDEREUQCSA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])s1 ZINC000419151962 530348832 /nfs/dbraw/zinc/34/88/32/530348832.db2.gz MYENCCZZXZFFCM-UHFFFAOYSA-N 1 0 390.531 -0.106 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419152347 530348922 /nfs/dbraw/zinc/34/89/22/530348922.db2.gz NJRANEQPNCSXCD-SNVBAGLBSA-N 1 0 376.504 -0.435 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419153685 1073798450 /nfs/dbraw/zinc/79/84/50/1073798450.db2.gz PYIJNPVICIDRBP-KRWDZBQOSA-N 1 0 390.484 -0.118 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419153687 1073798492 /nfs/dbraw/zinc/79/84/92/1073798492.db2.gz PYIJNPVICIDRBP-QGZVFWFLSA-N 1 0 390.484 -0.118 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)s1 ZINC000419153697 530348776 /nfs/dbraw/zinc/34/87/76/530348776.db2.gz PEVYBNLEOUPKIM-GHMZBOCLSA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)s1 ZINC000419153699 530348840 /nfs/dbraw/zinc/34/88/40/530348840.db2.gz PEVYBNLEOUPKIM-PHIMTYICSA-N 1 0 388.515 -0.340 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)s1 ZINC000419153702 530348765 /nfs/dbraw/zinc/34/87/65/530348765.db2.gz PEVYBNLEOUPKIM-QWRGUYRKSA-N 1 0 388.515 -0.340 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CC1 ZINC000419153994 1073793927 /nfs/dbraw/zinc/79/39/27/1073793927.db2.gz QKKDPTCFZKKSSF-GOSISDBHSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CC1 ZINC000419153996 1073794000 /nfs/dbraw/zinc/79/40/00/1073794000.db2.gz QKKDPTCFZKKSSF-SFHVURJKSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419154025 1073792251 /nfs/dbraw/zinc/79/22/51/1073792251.db2.gz QQEVTELBDUBJJQ-QGZVFWFLSA-N 1 0 390.484 -0.037 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)s1 ZINC000419154939 530348805 /nfs/dbraw/zinc/34/88/05/530348805.db2.gz QWKOWXOVYJGOCL-GFCCVEGCSA-N 1 0 388.515 -0.291 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)s1 ZINC000419154940 530348953 /nfs/dbraw/zinc/34/89/53/530348953.db2.gz QWKOWXOVYJGOCL-LBPRGKRZSA-N 1 0 388.515 -0.291 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419154989 1073799459 /nfs/dbraw/zinc/79/94/59/1073799459.db2.gz SEEHUAXGIZQNRJ-KRWDZBQOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419154990 1073799121 /nfs/dbraw/zinc/79/91/21/1073799121.db2.gz SEEHUAXGIZQNRJ-QGZVFWFLSA-N 1 0 390.484 -0.166 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N1CCC[NH2+]CC1 ZINC000419155000 1073799286 /nfs/dbraw/zinc/79/92/86/1073799286.db2.gz SHJGLZQQTIWRIT-UHFFFAOYSA-N 1 0 390.484 -0.164 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419155310 1073799415 /nfs/dbraw/zinc/79/94/15/1073799415.db2.gz ASAHHPLQFJDUFO-AWEZNQCLSA-N 1 0 382.486 -0.271 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419155311 1073799105 /nfs/dbraw/zinc/79/91/05/1073799105.db2.gz ASAHHPLQFJDUFO-CQSZACIVSA-N 1 0 382.486 -0.271 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000419155358 1073798446 /nfs/dbraw/zinc/79/84/46/1073798446.db2.gz BASHLWFERFZBKF-HNNXBMFYSA-N 1 0 396.513 -0.152 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000419155359 1073798282 /nfs/dbraw/zinc/79/82/82/1073798282.db2.gz BASHLWFERFZBKF-OAHLLOKOSA-N 1 0 396.513 -0.152 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419155360 1073798294 /nfs/dbraw/zinc/79/82/94/1073798294.db2.gz BAYJBYMCBJANHI-CYBMUJFWSA-N 1 0 379.461 -0.384 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419155361 1073798013 /nfs/dbraw/zinc/79/80/13/1073798013.db2.gz BAYJBYMCBJANHI-ZDUSSCGKSA-N 1 0 379.461 -0.384 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419155433 1073798579 /nfs/dbraw/zinc/79/85/79/1073798579.db2.gz TTZJYRKCFXZVGF-KRWDZBQOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419155436 1073798078 /nfs/dbraw/zinc/79/80/78/1073798078.db2.gz TTZJYRKCFXZVGF-QGZVFWFLSA-N 1 0 390.484 -0.166 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)C1CC1 ZINC000419155711 1073793891 /nfs/dbraw/zinc/79/38/91/1073793891.db2.gz UIAAJUDMNJLBOR-KRWDZBQOSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)C1CC1 ZINC000419155712 1073793756 /nfs/dbraw/zinc/79/37/56/1073793756.db2.gz UIAAJUDMNJLBOR-QGZVFWFLSA-N 1 0 390.484 -0.133 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419155784 530348488 /nfs/dbraw/zinc/34/84/88/530348488.db2.gz RUIYADSGPNFICK-GFCCVEGCSA-N 1 0 388.515 -0.339 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)N1CCC[NH2+]CC1 ZINC000419155786 1073799233 /nfs/dbraw/zinc/79/92/33/1073799233.db2.gz UNIPSCBNZNHROU-UHFFFAOYSA-N 1 0 390.484 -0.164 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419155787 530348369 /nfs/dbraw/zinc/34/83/69/530348369.db2.gz RUIYADSGPNFICK-LBPRGKRZSA-N 1 0 388.515 -0.339 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419156009 1073799409 /nfs/dbraw/zinc/79/94/09/1073799409.db2.gz BMXAZASDJXQRTP-OKILXGFUSA-N 1 0 380.470 -0.933 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419156050 1073799181 /nfs/dbraw/zinc/79/91/81/1073799181.db2.gz BSNHFOASFCRNMF-AWEZNQCLSA-N 1 0 382.486 -0.413 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419156051 1073799353 /nfs/dbraw/zinc/79/93/53/1073799353.db2.gz BSNHFOASFCRNMF-CQSZACIVSA-N 1 0 382.486 -0.413 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000419156227 530077367 /nfs/dbraw/zinc/07/73/67/530077367.db2.gz SPVRRDYDCYFVGV-NEPJUHHUSA-N 1 0 388.515 -0.163 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000419156228 530077460 /nfs/dbraw/zinc/07/74/60/530077460.db2.gz SPVRRDYDCYFVGV-NWDGAFQWSA-N 1 0 388.515 -0.163 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000419156229 530077364 /nfs/dbraw/zinc/07/73/64/530077364.db2.gz SPVRRDYDCYFVGV-RYUDHWBXSA-N 1 0 388.515 -0.163 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000419156230 530077302 /nfs/dbraw/zinc/07/73/02/530077302.db2.gz SPVRRDYDCYFVGV-VXGBXAGGSA-N 1 0 388.515 -0.163 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CCO1 ZINC000419156352 1073799025 /nfs/dbraw/zinc/79/90/25/1073799025.db2.gz JNRPVYWAZPCOBP-DLBZAZTESA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CCO1 ZINC000419156353 1073799031 /nfs/dbraw/zinc/79/90/31/1073799031.db2.gz JNRPVYWAZPCOBP-IAGOWNOFSA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 ZINC000419156354 1073799313 /nfs/dbraw/zinc/79/93/13/1073799313.db2.gz JNRPVYWAZPCOBP-IRXDYDNUSA-N 1 0 394.447 -0.499 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 ZINC000419156355 1073799521 /nfs/dbraw/zinc/79/95/21/1073799521.db2.gz JNRPVYWAZPCOBP-SJORKVTESA-N 1 0 394.447 -0.499 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000419156392 1073799361 /nfs/dbraw/zinc/79/93/61/1073799361.db2.gz BXMAIDFTKSJCGC-CQSZACIVSA-N 1 0 382.486 -0.352 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419156408 1073799076 /nfs/dbraw/zinc/79/90/76/1073799076.db2.gz VBVXMQHMCQSRAQ-HNNXBMFYSA-N 1 0 388.534 -0.045 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419156409 1073799037 /nfs/dbraw/zinc/79/90/37/1073799037.db2.gz VBVXMQHMCQSRAQ-OAHLLOKOSA-N 1 0 388.534 -0.045 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000419156418 1073799515 /nfs/dbraw/zinc/79/95/15/1073799515.db2.gz BYYAEMFKMHWTSP-CYBMUJFWSA-N 1 0 379.461 -0.303 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419156457 1073799268 /nfs/dbraw/zinc/79/92/68/1073799268.db2.gz VFGBCHPUPJIDHB-INIZCTEOSA-N 1 0 376.457 -0.427 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000419156459 1073799343 /nfs/dbraw/zinc/79/93/43/1073799343.db2.gz VFGBCHPUPJIDHB-MRXNPFEDSA-N 1 0 376.457 -0.427 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000419156708 530348240 /nfs/dbraw/zinc/34/82/40/530348240.db2.gz UBHKAKPVKXCPSM-CMPLNLGQSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000419156710 530348290 /nfs/dbraw/zinc/34/82/90/530348290.db2.gz UBHKAKPVKXCPSM-JQWIXIFHSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000419156713 530348546 /nfs/dbraw/zinc/34/85/46/530348546.db2.gz UBHKAKPVKXCPSM-PWSUYJOCSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000419156715 530348255 /nfs/dbraw/zinc/34/82/55/530348255.db2.gz UBHKAKPVKXCPSM-ZYHUDNBSSA-N 1 0 388.515 -0.435 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419156797 1073794931 /nfs/dbraw/zinc/79/49/31/1073794931.db2.gz VOKKGVDFXQSOEK-HNNXBMFYSA-N 1 0 378.473 -0.181 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419156798 1073795089 /nfs/dbraw/zinc/79/50/89/1073795089.db2.gz VOKKGVDFXQSOEK-OAHLLOKOSA-N 1 0 378.473 -0.181 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)s1 ZINC000419157040 530348407 /nfs/dbraw/zinc/34/84/07/530348407.db2.gz UQCFNVOSLRHFHR-LLVKDONJSA-N 1 0 376.504 -0.449 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)s1 ZINC000419157042 530348322 /nfs/dbraw/zinc/34/83/22/530348322.db2.gz UQCFNVOSLRHFHR-NSHDSACASA-N 1 0 376.504 -0.449 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCOCC(F)(F)F ZINC000419157092 1073793615 /nfs/dbraw/zinc/79/36/15/1073793615.db2.gz CIEUNHBHAYUDNF-LLVKDONJSA-N 1 0 382.383 -0.472 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCOCC(F)(F)F ZINC000419157093 1073793566 /nfs/dbraw/zinc/79/35/66/1073793566.db2.gz CIEUNHBHAYUDNF-NSHDSACASA-N 1 0 382.383 -0.472 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419157094 1073793981 /nfs/dbraw/zinc/79/39/81/1073793981.db2.gz CIKXTXOEVNONPU-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419157095 1073793805 /nfs/dbraw/zinc/79/38/05/1073793805.db2.gz CIKXTXOEVNONPU-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419157110 1073793746 /nfs/dbraw/zinc/79/37/46/1073793746.db2.gz CJYIVVBBXNVADE-UHFFFAOYSA-N 1 0 381.477 -0.137 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000419157115 1073794646 /nfs/dbraw/zinc/79/46/46/1073794646.db2.gz CKRZPXSSCHPZMG-GASCZTMLSA-N 1 0 394.497 -0.258 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)C1CC1 ZINC000419157235 1073793775 /nfs/dbraw/zinc/79/37/75/1073793775.db2.gz WDMIMXBBMPBQJP-KRWDZBQOSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)C1CC1 ZINC000419157236 1073793914 /nfs/dbraw/zinc/79/39/14/1073793914.db2.gz WDMIMXBBMPBQJP-QGZVFWFLSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419157409 1073793822 /nfs/dbraw/zinc/79/38/22/1073793822.db2.gz WNFRODDIVBEOGX-KRWDZBQOSA-N 1 0 390.484 -0.037 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000419157418 1073793838 /nfs/dbraw/zinc/79/38/38/1073793838.db2.gz WNFRODDIVBEOGX-QGZVFWFLSA-N 1 0 390.484 -0.037 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000419157517 1073794100 /nfs/dbraw/zinc/79/41/00/1073794100.db2.gz CWSHAABNRXAWQG-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000419157518 1073794168 /nfs/dbraw/zinc/79/41/68/1073794168.db2.gz CWSHAABNRXAWQG-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000419157523 1073793683 /nfs/dbraw/zinc/79/36/83/1073793683.db2.gz CXMDWVCEDQYLFW-CYBMUJFWSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000419157524 1073793509 /nfs/dbraw/zinc/79/35/09/1073793509.db2.gz CXMDWVCEDQYLFW-ZDUSSCGKSA-N 1 0 379.461 -0.399 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000419157545 1073793556 /nfs/dbraw/zinc/79/35/56/1073793556.db2.gz DAJUKOVSYWTBJQ-AWEZNQCLSA-N 1 0 392.456 -0.367 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000419157546 1073793544 /nfs/dbraw/zinc/79/35/44/1073793544.db2.gz DAJUKOVSYWTBJQ-CQSZACIVSA-N 1 0 392.456 -0.367 20 0 GBADRO CC1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC000419157551 1073793668 /nfs/dbraw/zinc/79/36/68/1073793668.db2.gz DBFGRHAQXMDEJW-UHFFFAOYSA-N 1 0 382.486 -0.413 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC[NH2+]1 ZINC000419157903 1073794797 /nfs/dbraw/zinc/79/47/97/1073794797.db2.gz XAPHAQAITZTYQT-INIZCTEOSA-N 1 0 390.484 -0.166 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC[NH2+]1 ZINC000419157904 1073795068 /nfs/dbraw/zinc/79/50/68/1073795068.db2.gz XAPHAQAITZTYQT-MRXNPFEDSA-N 1 0 390.484 -0.166 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419157966 1073794997 /nfs/dbraw/zinc/79/49/97/1073794997.db2.gz XBHGXFYZFBQIQM-HNNXBMFYSA-N 1 0 378.473 -0.275 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000419157968 1073795018 /nfs/dbraw/zinc/79/50/18/1073795018.db2.gz XBHGXFYZFBQIQM-OAHLLOKOSA-N 1 0 378.473 -0.275 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CC1 ZINC000419157985 1073794778 /nfs/dbraw/zinc/79/47/78/1073794778.db2.gz XBUUXUZJQIGUDT-GOSISDBHSA-N 1 0 390.484 -0.133 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CC1 ZINC000419157988 1073794745 /nfs/dbraw/zinc/79/47/45/1073794745.db2.gz XBUUXUZJQIGUDT-SFHVURJKSA-N 1 0 390.484 -0.133 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000419158300 1073794847 /nfs/dbraw/zinc/79/48/47/1073794847.db2.gz DYJHWRIELBRRTB-GOSISDBHSA-N 1 0 396.513 -0.105 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000419158301 1073794493 /nfs/dbraw/zinc/79/44/93/1073794493.db2.gz DYJHWRIELBRRTB-SFHVURJKSA-N 1 0 396.513 -0.105 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419158420 1073795057 /nfs/dbraw/zinc/79/50/57/1073795057.db2.gz XPIWBJFDHXAHAA-KRWDZBQOSA-N 1 0 390.484 -0.118 20 0 GBADRO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419158423 1073794693 /nfs/dbraw/zinc/79/46/93/1073794693.db2.gz XPIWBJFDHXAHAA-QGZVFWFLSA-N 1 0 390.484 -0.118 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1F ZINC000419158635 1073794858 /nfs/dbraw/zinc/79/48/58/1073794858.db2.gz FCVNBEBILHGXCW-UHFFFAOYSA-N 1 0 379.436 -0.998 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000419158646 1073795825 /nfs/dbraw/zinc/79/58/25/1073795825.db2.gz FECAVRFLKHZJRM-AWEZNQCLSA-N 1 0 382.486 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419158647 1073795841 /nfs/dbraw/zinc/79/58/41/1073795841.db2.gz FECAVRFLKHZJRM-CQSZACIVSA-N 1 0 382.486 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419158681 1073794899 /nfs/dbraw/zinc/79/48/99/1073794899.db2.gz FKVWVDOUAYKNFY-HIFRSBDPSA-N 1 0 380.470 -0.790 20 0 GBADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419158716 1073795499 /nfs/dbraw/zinc/79/54/99/1073795499.db2.gz NCLHYZVEEOTSAJ-INIZCTEOSA-N 1 0 379.505 -0.743 20 0 GBADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419158717 1073795577 /nfs/dbraw/zinc/79/55/77/1073795577.db2.gz NCLHYZVEEOTSAJ-MRXNPFEDSA-N 1 0 379.505 -0.743 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419159493 1073794919 /nfs/dbraw/zinc/79/49/19/1073794919.db2.gz ZIRLMEDCKOTZMV-KRWDZBQOSA-N 1 0 390.484 -0.118 20 0 GBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419159494 1073794482 /nfs/dbraw/zinc/79/44/82/1073794482.db2.gz ZIRLMEDCKOTZMV-QGZVFWFLSA-N 1 0 390.484 -0.118 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000419159557 1073794989 /nfs/dbraw/zinc/79/49/89/1073794989.db2.gz GAEITGQNUWHIIE-UHFFFAOYSA-N 1 0 384.502 -0.167 20 0 GBADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000419159587 1073795083 /nfs/dbraw/zinc/79/50/83/1073795083.db2.gz GFHGAXBRTPXSGJ-AWEZNQCLSA-N 1 0 382.486 -0.332 20 0 GBADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000419159589 1073794908 /nfs/dbraw/zinc/79/49/08/1073794908.db2.gz GFHGAXBRTPXSGJ-CQSZACIVSA-N 1 0 382.486 -0.332 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000419159642 1073794764 /nfs/dbraw/zinc/79/47/64/1073794764.db2.gz GOFFIBYOLFORMF-GDBMZVCRSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000419159646 1073795733 /nfs/dbraw/zinc/79/57/33/1073795733.db2.gz GOFFIBYOLFORMF-GOEBONIOSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000419159649 1073795601 /nfs/dbraw/zinc/79/56/01/1073795601.db2.gz GOFFIBYOLFORMF-HOCLYGCPSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000419159651 1073795815 /nfs/dbraw/zinc/79/58/15/1073795815.db2.gz GOFFIBYOLFORMF-ZBFHGGJFSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000419159701 1073795649 /nfs/dbraw/zinc/79/56/49/1073795649.db2.gz GRHVUAPOWKFEEG-HNNXBMFYSA-N 1 0 396.513 -0.023 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)s1 ZINC000419159708 530348550 /nfs/dbraw/zinc/34/85/50/530348550.db2.gz XSEANSSVISYUNR-HNNXBMFYSA-N 1 0 388.515 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000419159709 1073795860 /nfs/dbraw/zinc/79/58/60/1073795860.db2.gz GRHVUAPOWKFEEG-OAHLLOKOSA-N 1 0 396.513 -0.023 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)s1 ZINC000419159710 530348429 /nfs/dbraw/zinc/34/84/29/530348429.db2.gz XSEANSSVISYUNR-OAHLLOKOSA-N 1 0 388.515 -0.352 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419159819 1073795562 /nfs/dbraw/zinc/79/55/62/1073795562.db2.gz ZPXXYSHKIFASSW-HNNXBMFYSA-N 1 0 382.486 -0.486 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419159820 1073795616 /nfs/dbraw/zinc/79/56/16/1073795616.db2.gz ZPXXYSHKIFASSW-OAHLLOKOSA-N 1 0 382.486 -0.486 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419160112 1073795654 /nfs/dbraw/zinc/79/56/54/1073795654.db2.gz GXMRMGYLPBKYTB-CYBMUJFWSA-N 1 0 381.477 -0.138 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160113 1073795805 /nfs/dbraw/zinc/79/58/05/1073795805.db2.gz GXNNQPZJYRRZGK-HNNXBMFYSA-N 1 0 396.513 -0.025 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160114 1073795555 /nfs/dbraw/zinc/79/55/55/1073795555.db2.gz GXNNQPZJYRRZGK-OAHLLOKOSA-N 1 0 396.513 -0.025 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160120 1073795534 /nfs/dbraw/zinc/79/55/34/1073795534.db2.gz GXPGEEGTKVQSQM-DZGCQCFKSA-N 1 0 382.486 -0.285 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160122 1073795700 /nfs/dbraw/zinc/79/57/00/1073795700.db2.gz GXPGEEGTKVQSQM-HIFRSBDPSA-N 1 0 382.486 -0.285 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160124 1073795621 /nfs/dbraw/zinc/79/56/21/1073795621.db2.gz GXPGEEGTKVQSQM-UKRRQHHQSA-N 1 0 382.486 -0.285 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160126 1073795592 /nfs/dbraw/zinc/79/55/92/1073795592.db2.gz GXPGEEGTKVQSQM-ZFWWWQNUSA-N 1 0 382.486 -0.285 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160134 1073795883 /nfs/dbraw/zinc/79/58/83/1073795883.db2.gz GYBMCMQOTVSVKY-HNNXBMFYSA-N 1 0 384.502 -0.087 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419160139 1073795772 /nfs/dbraw/zinc/79/57/72/1073795772.db2.gz GYBMCMQOTVSVKY-OAHLLOKOSA-N 1 0 384.502 -0.087 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419160174 1073795660 /nfs/dbraw/zinc/79/56/60/1073795660.db2.gz HAAKKXMRKISGCF-CABCVRRESA-N 1 0 394.497 -0.258 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000419160233 1073795887 /nfs/dbraw/zinc/79/58/87/1073795887.db2.gz PJTXVBAWMUPABI-INIZCTEOSA-N 1 0 382.436 -0.905 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000419160235 1073795586 /nfs/dbraw/zinc/79/55/86/1073795586.db2.gz PJTXVBAWMUPABI-MRXNPFEDSA-N 1 0 382.436 -0.905 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCC[NH2+]C2CC2)s1 ZINC000419160365 530348472 /nfs/dbraw/zinc/34/84/72/530348472.db2.gz ZAMDNDXCGLAJGD-UHFFFAOYSA-N 1 0 388.515 -0.291 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419160467 1073795632 /nfs/dbraw/zinc/79/56/32/1073795632.db2.gz HLIOCGGEVNNABB-CVEARBPZSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419160468 1073795899 /nfs/dbraw/zinc/79/58/99/1073795899.db2.gz HLIOCGGEVNNABB-HOTGVXAUSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@H](C)C[NH2+]1 ZINC000419160469 1073795670 /nfs/dbraw/zinc/79/56/70/1073795670.db2.gz HLIOCGGEVNNABB-HZPDHXFCSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160470 1073795870 /nfs/dbraw/zinc/79/58/70/1073795870.db2.gz HLIOCGGEVNNABB-JKSUJKDBSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160694 1073796299 /nfs/dbraw/zinc/79/62/99/1073796299.db2.gz HOPCRHSTKVXTSP-CVEARBPZSA-N 1 0 389.504 -0.781 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160695 1073796493 /nfs/dbraw/zinc/79/64/93/1073796493.db2.gz HOPCRHSTKVXTSP-HOTGVXAUSA-N 1 0 389.504 -0.781 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160696 1073796811 /nfs/dbraw/zinc/79/68/11/1073796811.db2.gz HOPCRHSTKVXTSP-HZPDHXFCSA-N 1 0 389.504 -0.781 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419160697 1073796830 /nfs/dbraw/zinc/79/68/30/1073796830.db2.gz HOPCRHSTKVXTSP-JKSUJKDBSA-N 1 0 389.504 -0.781 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CCC[NH2+]C1 ZINC000419160736 1073795748 /nfs/dbraw/zinc/79/57/48/1073795748.db2.gz HVQUVOIATMWNOJ-KRWDZBQOSA-N 1 0 382.486 -0.413 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CCC[NH2+]C1 ZINC000419160737 1073795613 /nfs/dbraw/zinc/79/56/13/1073795613.db2.gz HVQUVOIATMWNOJ-QGZVFWFLSA-N 1 0 382.486 -0.413 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000419160754 1073795597 /nfs/dbraw/zinc/79/55/97/1073795597.db2.gz HXFSSXBAJOSDGM-DZGCQCFKSA-N 1 0 382.486 -0.367 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000419160755 1073795705 /nfs/dbraw/zinc/79/57/05/1073795705.db2.gz HXFSSXBAJOSDGM-HIFRSBDPSA-N 1 0 382.486 -0.367 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000419160756 1073795522 /nfs/dbraw/zinc/79/55/22/1073795522.db2.gz HXFSSXBAJOSDGM-UKRRQHHQSA-N 1 0 382.486 -0.367 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000419160757 1073795921 /nfs/dbraw/zinc/79/59/21/1073795921.db2.gz HXFSSXBAJOSDGM-ZFWWWQNUSA-N 1 0 382.486 -0.367 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419161131 1073795543 /nfs/dbraw/zinc/79/55/43/1073795543.db2.gz IGNCTBJCSWKDJU-HNNXBMFYSA-N 1 0 377.493 -0.796 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419161132 1073795929 /nfs/dbraw/zinc/79/59/29/1073795929.db2.gz IGNCTBJCSWKDJU-OAHLLOKOSA-N 1 0 377.493 -0.796 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000419161906 1073796706 /nfs/dbraw/zinc/79/67/06/1073796706.db2.gz JFXGIRYAMXUPFG-CWRNSKLLSA-N 1 0 394.497 -0.333 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@H]21 ZINC000419161907 1073796219 /nfs/dbraw/zinc/79/62/19/1073796219.db2.gz JFXGIRYAMXUPFG-FVQBIDKESA-N 1 0 394.497 -0.333 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@H]21 ZINC000419161908 1073796825 /nfs/dbraw/zinc/79/68/25/1073796825.db2.gz JFXGIRYAMXUPFG-NUEKZKHPSA-N 1 0 394.497 -0.333 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000419161909 1073796516 /nfs/dbraw/zinc/79/65/16/1073796516.db2.gz JFXGIRYAMXUPFG-VNQPRFMTSA-N 1 0 394.497 -0.333 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000419161945 1073796650 /nfs/dbraw/zinc/79/66/50/1073796650.db2.gz JLEHBNYXZFZRSK-AWEZNQCLSA-N 1 0 382.486 -0.318 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000419161946 1073796714 /nfs/dbraw/zinc/79/67/14/1073796714.db2.gz JLEHBNYXZFZRSK-CQSZACIVSA-N 1 0 382.486 -0.318 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000419161959 1073796350 /nfs/dbraw/zinc/79/63/50/1073796350.db2.gz JOXKMENNRHXGJY-UHFFFAOYSA-N 1 0 394.497 -0.184 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419162402 1073796400 /nfs/dbraw/zinc/79/64/00/1073796400.db2.gz JUPDZFGTLKMMOS-CYBMUJFWSA-N 1 0 379.461 -0.384 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419162404 1073796456 /nfs/dbraw/zinc/79/64/56/1073796456.db2.gz JUPDZFGTLKMMOS-ZDUSSCGKSA-N 1 0 379.461 -0.384 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000419162422 1073796236 /nfs/dbraw/zinc/79/62/36/1073796236.db2.gz JWBKRUZEGLFRDC-UHFFFAOYSA-N 1 0 382.486 -0.413 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419162441 1073796756 /nfs/dbraw/zinc/79/67/56/1073796756.db2.gz JYVMRNCUKUYAKM-INIZCTEOSA-N 1 0 389.504 -0.685 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419162442 1073796584 /nfs/dbraw/zinc/79/65/84/1073796584.db2.gz JYVMRNCUKUYAKM-MRXNPFEDSA-N 1 0 389.504 -0.685 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000419162477 1073796416 /nfs/dbraw/zinc/79/64/16/1073796416.db2.gz KEXHOXZFEGZSLH-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000419162478 1073796617 /nfs/dbraw/zinc/79/66/17/1073796617.db2.gz KEXHOXZFEGZSLH-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419162540 1073796262 /nfs/dbraw/zinc/79/62/62/1073796262.db2.gz UTRGXJUVMRDKLJ-JZXOWHBKSA-N 1 0 390.459 -0.007 20 0 GBADRO O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419162541 1073796795 /nfs/dbraw/zinc/79/67/95/1073796795.db2.gz UTRGXJUVMRDKLJ-SOLBZPMBSA-N 1 0 390.459 -0.007 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162583 1073796362 /nfs/dbraw/zinc/79/63/62/1073796362.db2.gz UXMUEXPMQDSYPO-DLBZAZTESA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162584 1073796727 /nfs/dbraw/zinc/79/67/27/1073796727.db2.gz UXMUEXPMQDSYPO-IAGOWNOFSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162587 1073796799 /nfs/dbraw/zinc/79/67/99/1073796799.db2.gz UXMUEXPMQDSYPO-IRXDYDNUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162589 1073796661 /nfs/dbraw/zinc/79/66/61/1073796661.db2.gz UXMUEXPMQDSYPO-SJORKVTESA-N 1 0 393.532 -0.354 20 0 GBADRO O=C(NCCOCC(F)(F)F)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419162704 1073796675 /nfs/dbraw/zinc/79/66/75/1073796675.db2.gz KKHSUBHSVLYUPN-GFCCVEGCSA-N 1 0 394.394 -0.648 20 0 GBADRO O=C(NCCOCC(F)(F)F)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419162705 1073796768 /nfs/dbraw/zinc/79/67/68/1073796768.db2.gz KKHSUBHSVLYUPN-LBPRGKRZSA-N 1 0 394.394 -0.648 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000419162844 1073796604 /nfs/dbraw/zinc/79/66/04/1073796604.db2.gz KSAYXZMIWNTOIE-UHFFFAOYSA-N 1 0 396.513 -0.071 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000419162884 1073796792 /nfs/dbraw/zinc/79/67/92/1073796792.db2.gz KTYSCJNNNLRKJP-UHFFFAOYSA-N 1 0 382.486 -0.352 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419163196 1073796819 /nfs/dbraw/zinc/79/68/19/1073796819.db2.gz LDCSKUBIBHVELI-KGLIPLIRSA-N 1 0 391.472 -0.432 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419163236 1073796786 /nfs/dbraw/zinc/79/67/86/1073796786.db2.gz LIKCEGMDBCMDGN-GOSISDBHSA-N 1 0 394.497 -0.398 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419163238 1073796779 /nfs/dbraw/zinc/79/67/79/1073796779.db2.gz LIKCEGMDBCMDGN-SFHVURJKSA-N 1 0 394.497 -0.398 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419163467 1073796441 /nfs/dbraw/zinc/79/64/41/1073796441.db2.gz LLZDXLMKJYVWEG-HNNXBMFYSA-N 1 0 396.513 -0.105 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000419163469 1073796834 /nfs/dbraw/zinc/79/68/34/1073796834.db2.gz LLZDXLMKJYVWEG-OAHLLOKOSA-N 1 0 396.513 -0.105 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419163934 1073797292 /nfs/dbraw/zinc/79/72/92/1073797292.db2.gz LZCSBCLWBRTUET-KGLIPLIRSA-N 1 0 380.470 -0.566 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000419163964 1073797306 /nfs/dbraw/zinc/79/73/06/1073797306.db2.gz MFKGDKBAHXGMEE-KRWDZBQOSA-N 1 0 382.486 -0.413 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000419163965 1073797131 /nfs/dbraw/zinc/79/71/31/1073797131.db2.gz MFKGDKBAHXGMEE-QGZVFWFLSA-N 1 0 382.486 -0.413 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419163981 1073797200 /nfs/dbraw/zinc/79/72/00/1073797200.db2.gz MHXCPKYMICQFFR-UHFFFAOYSA-N 1 0 394.497 -0.317 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419164339 1073797173 /nfs/dbraw/zinc/79/71/73/1073797173.db2.gz MPSKSJSNYJHCLX-KBPBESRZSA-N 1 0 380.470 -0.851 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419164340 1073797377 /nfs/dbraw/zinc/79/73/77/1073797377.db2.gz MPSKSJSNYJHCLX-KGLIPLIRSA-N 1 0 380.470 -0.851 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419164341 1073797226 /nfs/dbraw/zinc/79/72/26/1073797226.db2.gz MPSKSJSNYJHCLX-UONOGXRCSA-N 1 0 380.470 -0.851 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419164342 1073797402 /nfs/dbraw/zinc/79/74/02/1073797402.db2.gz MPSKSJSNYJHCLX-ZIAGYGMSSA-N 1 0 380.470 -0.851 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000419164345 1073797526 /nfs/dbraw/zinc/79/75/26/1073797526.db2.gz MQAMVGPSIVYATR-AWEZNQCLSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000419164346 1073797573 /nfs/dbraw/zinc/79/75/73/1073797573.db2.gz MQAMVGPSIVYATR-CQSZACIVSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000419164347 1073797617 /nfs/dbraw/zinc/79/76/17/1073797617.db2.gz MQKQTAQJOITIDD-AWEZNQCLSA-N 1 0 380.420 -0.444 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1F ZINC000419164348 1073797440 /nfs/dbraw/zinc/79/74/40/1073797440.db2.gz MQKQTAQJOITIDD-CQSZACIVSA-N 1 0 380.420 -0.444 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000419164398 1073796720 /nfs/dbraw/zinc/79/67/20/1073796720.db2.gz MSKRSHJXIXNLIZ-CABCVRRESA-N 1 0 396.513 -0.167 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000419164399 1073796694 /nfs/dbraw/zinc/79/66/94/1073796694.db2.gz MSKRSHJXIXNLIZ-GJZGRUSLSA-N 1 0 396.513 -0.167 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000419164400 1073797153 /nfs/dbraw/zinc/79/71/53/1073797153.db2.gz MSKRSHJXIXNLIZ-HUUCEWRRSA-N 1 0 396.513 -0.167 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000419164401 1073797669 /nfs/dbraw/zinc/79/76/69/1073797669.db2.gz MSKRSHJXIXNLIZ-LSDHHAIUSA-N 1 0 396.513 -0.167 20 0 GBADRO O=C(NCCOCC(F)(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419164420 1073797160 /nfs/dbraw/zinc/79/71/60/1073797160.db2.gz MUSLDGVTRRFXHF-SECBINFHSA-N 1 0 394.316 -0.366 20 0 GBADRO O=C(NCCOCC(F)(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419164425 1073797245 /nfs/dbraw/zinc/79/72/45/1073797245.db2.gz MUSLDGVTRRFXHF-VIFPVBQESA-N 1 0 394.316 -0.366 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000419164904 1073797659 /nfs/dbraw/zinc/79/76/59/1073797659.db2.gz NIQSMRWOUJDBJT-AWEZNQCLSA-N 1 0 382.486 -0.495 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419164905 1073797264 /nfs/dbraw/zinc/79/72/64/1073797264.db2.gz NIQSMRWOUJDBJT-CQSZACIVSA-N 1 0 382.486 -0.495 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000419164915 1073797487 /nfs/dbraw/zinc/79/74/87/1073797487.db2.gz NJNQKQLAGBOESK-BPUTZDHNSA-N 1 0 394.497 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000419164919 1073797589 /nfs/dbraw/zinc/79/75/89/1073797589.db2.gz NJNQKQLAGBOESK-CWRNSKLLSA-N 1 0 394.497 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000419164922 1073797423 /nfs/dbraw/zinc/79/74/23/1073797423.db2.gz NJNQKQLAGBOESK-IMJJTQAJSA-N 1 0 394.497 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000419164924 1073797300 /nfs/dbraw/zinc/79/73/00/1073797300.db2.gz NJNQKQLAGBOESK-NUEKZKHPSA-N 1 0 394.497 -0.415 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CC[NH2+]C1 ZINC000419164926 1073797258 /nfs/dbraw/zinc/79/72/58/1073797258.db2.gz NJUOFLFUSZSCPQ-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CC[NH2+]C1 ZINC000419164928 1073797167 /nfs/dbraw/zinc/79/71/67/1073797167.db2.gz NJUOFLFUSZSCPQ-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000419164948 1073797145 /nfs/dbraw/zinc/79/71/45/1073797145.db2.gz NKZHKIGVPCOTSQ-AWEZNQCLSA-N 1 0 380.420 -0.525 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1F ZINC000419164949 1073797179 /nfs/dbraw/zinc/79/71/79/1073797179.db2.gz NKZHKIGVPCOTSQ-CQSZACIVSA-N 1 0 380.420 -0.525 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000419165559 1073797113 /nfs/dbraw/zinc/79/71/13/1073797113.db2.gz BWAVPAPPLCCSFF-KBPBESRZSA-N 1 0 380.445 -0.071 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000419165564 1073797288 /nfs/dbraw/zinc/79/72/88/1073797288.db2.gz BWAVPAPPLCCSFF-KGLIPLIRSA-N 1 0 380.445 -0.071 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000419165565 1073797139 /nfs/dbraw/zinc/79/71/39/1073797139.db2.gz BWAVPAPPLCCSFF-UONOGXRCSA-N 1 0 380.445 -0.071 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000419165566 1073797345 /nfs/dbraw/zinc/79/73/45/1073797345.db2.gz BWAVPAPPLCCSFF-ZIAGYGMSSA-N 1 0 380.445 -0.071 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419165688 1073798540 /nfs/dbraw/zinc/79/85/40/1073798540.db2.gz NQARPTUDQDDFFJ-CABCVRRESA-N 1 0 394.497 -0.543 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419165690 1073798287 /nfs/dbraw/zinc/79/82/87/1073798287.db2.gz NQARPTUDQDDFFJ-GJZGRUSLSA-N 1 0 394.497 -0.543 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419165693 1073798515 /nfs/dbraw/zinc/79/85/15/1073798515.db2.gz NQARPTUDQDDFFJ-HUUCEWRRSA-N 1 0 394.497 -0.543 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419165696 1073798050 /nfs/dbraw/zinc/79/80/50/1073798050.db2.gz NQARPTUDQDDFFJ-LSDHHAIUSA-N 1 0 394.497 -0.543 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419165757 1073798338 /nfs/dbraw/zinc/79/83/38/1073798338.db2.gz NUDSIDZBJJNZER-KBPBESRZSA-N 1 0 382.486 -0.402 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419165759 1073798214 /nfs/dbraw/zinc/79/82/14/1073798214.db2.gz NUDSIDZBJJNZER-KGLIPLIRSA-N 1 0 382.486 -0.402 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419165762 1073797993 /nfs/dbraw/zinc/79/79/93/1073797993.db2.gz NUDSIDZBJJNZER-UONOGXRCSA-N 1 0 382.486 -0.402 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419165764 1073798063 /nfs/dbraw/zinc/79/80/63/1073798063.db2.gz NUDSIDZBJJNZER-ZIAGYGMSSA-N 1 0 382.486 -0.402 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000419165765 1073798350 /nfs/dbraw/zinc/79/83/50/1073798350.db2.gz NUMIDVGBLMSFGY-UHFFFAOYSA-N 1 0 396.513 -0.071 20 0 GBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419166228 1073798596 /nfs/dbraw/zinc/79/85/96/1073798596.db2.gz HISTUKPMXAERAD-DLBZAZTESA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419166230 1073798022 /nfs/dbraw/zinc/79/80/22/1073798022.db2.gz HISTUKPMXAERAD-IAGOWNOFSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419166232 1073798163 /nfs/dbraw/zinc/79/81/63/1073798163.db2.gz HISTUKPMXAERAD-IRXDYDNUSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419166233 1073797961 /nfs/dbraw/zinc/79/79/61/1073797961.db2.gz HISTUKPMXAERAD-SJORKVTESA-N 1 0 393.532 -0.354 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCC1 ZINC000419166400 1073798526 /nfs/dbraw/zinc/79/85/26/1073798526.db2.gz OLJCTAAFWWQDLI-UHFFFAOYSA-N 1 0 379.461 -0.255 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000419166968 1073798274 /nfs/dbraw/zinc/79/82/74/1073798274.db2.gz OVSBLUGJTDHEBQ-UHFFFAOYSA-N 1 0 396.513 -0.105 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419167012 1073798366 /nfs/dbraw/zinc/79/83/66/1073798366.db2.gz OZROWBXKMPNEGS-UHFFFAOYSA-N 1 0 396.513 -0.152 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@@H]1C[NH3+] ZINC000419167472 1073798401 /nfs/dbraw/zinc/79/84/01/1073798401.db2.gz PLJASRJWZZNFQG-DZGCQCFKSA-N 1 0 382.486 -0.333 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H]1C[NH3+] ZINC000419167473 1073798229 /nfs/dbraw/zinc/79/82/29/1073798229.db2.gz PLJASRJWZZNFQG-HIFRSBDPSA-N 1 0 382.486 -0.333 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@@H]1C[NH3+] ZINC000419167474 1073798194 /nfs/dbraw/zinc/79/81/94/1073798194.db2.gz PLJASRJWZZNFQG-UKRRQHHQSA-N 1 0 382.486 -0.333 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H]1C[NH3+] ZINC000419167475 1073798566 /nfs/dbraw/zinc/79/85/66/1073798566.db2.gz PLJASRJWZZNFQG-ZFWWWQNUSA-N 1 0 382.486 -0.333 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419167548 1073798326 /nfs/dbraw/zinc/79/83/26/1073798326.db2.gz PQXSXHTZSSRUNV-INIZCTEOSA-N 1 0 391.520 -0.406 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419167550 1073798106 /nfs/dbraw/zinc/79/81/06/1073798106.db2.gz PQXSXHTZSSRUNV-MRXNPFEDSA-N 1 0 391.520 -0.406 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000419168177 1073797899 /nfs/dbraw/zinc/79/78/99/1073797899.db2.gz QBPINMALVKSTOK-KBPBESRZSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000419168190 1073798421 /nfs/dbraw/zinc/79/84/21/1073798421.db2.gz QBPINMALVKSTOK-KGLIPLIRSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419168193 1073798552 /nfs/dbraw/zinc/79/85/52/1073798552.db2.gz QBPINMALVKSTOK-UONOGXRCSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)[C@H](C)C[NH2+]1 ZINC000419168195 1073797944 /nfs/dbraw/zinc/79/79/44/1073797944.db2.gz QBPINMALVKSTOK-ZIAGYGMSSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419169309 1073803697 /nfs/dbraw/zinc/80/36/97/1073803697.db2.gz RCJCMCSEGNBPKE-KBPBESRZSA-N 1 0 393.488 -0.138 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419169310 1073803860 /nfs/dbraw/zinc/80/38/60/1073803860.db2.gz RCJCMCSEGNBPKE-KGLIPLIRSA-N 1 0 393.488 -0.138 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419169311 1073804288 /nfs/dbraw/zinc/80/42/88/1073804288.db2.gz RCJCMCSEGNBPKE-UONOGXRCSA-N 1 0 393.488 -0.138 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419169312 1073804187 /nfs/dbraw/zinc/80/41/87/1073804187.db2.gz RCJCMCSEGNBPKE-ZIAGYGMSSA-N 1 0 393.488 -0.138 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000419169323 1073804143 /nfs/dbraw/zinc/80/41/43/1073804143.db2.gz RDHSGUPPLRQDSF-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000419169324 1073804276 /nfs/dbraw/zinc/80/42/76/1073804276.db2.gz RDHSGUPPLRQDSF-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C[NH3+])C1 ZINC000419169858 1073799444 /nfs/dbraw/zinc/79/94/44/1073799444.db2.gz RSYUOEFBIKOMHH-CABCVRRESA-N 1 0 394.447 -0.055 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C[NH3+])C1 ZINC000419169861 1073799394 /nfs/dbraw/zinc/79/93/94/1073799394.db2.gz RSYUOEFBIKOMHH-GJZGRUSLSA-N 1 0 394.447 -0.055 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)[C@@H](C[NH3+])C1 ZINC000419169863 1073799419 /nfs/dbraw/zinc/79/94/19/1073799419.db2.gz RSYUOEFBIKOMHH-HUUCEWRRSA-N 1 0 394.447 -0.055 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)[C@H](C[NH3+])C1 ZINC000419169865 1073799401 /nfs/dbraw/zinc/79/94/01/1073799401.db2.gz RSYUOEFBIKOMHH-LSDHHAIUSA-N 1 0 394.447 -0.055 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000419170446 1073799373 /nfs/dbraw/zinc/79/93/73/1073799373.db2.gz SDBVZCNOLUCVGM-KBPBESRZSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000419170447 1073799080 /nfs/dbraw/zinc/79/90/80/1073799080.db2.gz SDBVZCNOLUCVGM-KGLIPLIRSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000419170448 1073799368 /nfs/dbraw/zinc/79/93/68/1073799368.db2.gz SDBVZCNOLUCVGM-UONOGXRCSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000419170449 1073798983 /nfs/dbraw/zinc/79/89/83/1073798983.db2.gz SDBVZCNOLUCVGM-ZIAGYGMSSA-N 1 0 382.486 -0.415 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000419171003 1073799422 /nfs/dbraw/zinc/79/94/22/1073799422.db2.gz SYDSFPWTAGZNAJ-UHFFFAOYSA-N 1 0 389.504 -0.685 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000419171662 1073800099 /nfs/dbraw/zinc/80/00/99/1073800099.db2.gz UBQQQGFWCOYUDX-AWEZNQCLSA-N 1 0 384.502 -0.121 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000419171663 1073800145 /nfs/dbraw/zinc/80/01/45/1073800145.db2.gz UBQQQGFWCOYUDX-CQSZACIVSA-N 1 0 384.502 -0.121 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000419171684 1073799953 /nfs/dbraw/zinc/79/99/53/1073799953.db2.gz UEBXMGMIVHCCPA-DZGCQCFKSA-N 1 0 382.486 -0.496 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000419171685 1073800090 /nfs/dbraw/zinc/80/00/90/1073800090.db2.gz UEBXMGMIVHCCPA-HIFRSBDPSA-N 1 0 382.486 -0.496 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000419171686 1073800862 /nfs/dbraw/zinc/80/08/62/1073800862.db2.gz UEBXMGMIVHCCPA-UKRRQHHQSA-N 1 0 382.486 -0.496 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000419171687 1073799989 /nfs/dbraw/zinc/79/99/89/1073799989.db2.gz UEBXMGMIVHCCPA-ZFWWWQNUSA-N 1 0 382.486 -0.496 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419172115 1073800588 /nfs/dbraw/zinc/80/05/88/1073800588.db2.gz UJCBHYATBDSJFL-HOTGVXAUSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000419172117 1073800017 /nfs/dbraw/zinc/80/00/17/1073800017.db2.gz UJCBHYATBDSJFL-HZPDHXFCSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419172120 1073800809 /nfs/dbraw/zinc/80/08/09/1073800809.db2.gz UJCBHYATBDSJFL-IYBDPMFKSA-N 1 0 389.504 -0.686 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000419172205 1073800647 /nfs/dbraw/zinc/80/06/47/1073800647.db2.gz ULULKFQCUZPEAR-KBPBESRZSA-N 1 0 382.486 -0.476 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000419172206 1073800078 /nfs/dbraw/zinc/80/00/78/1073800078.db2.gz ULULKFQCUZPEAR-KGLIPLIRSA-N 1 0 382.486 -0.476 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000419172209 1073799852 /nfs/dbraw/zinc/79/98/52/1073799852.db2.gz ULULKFQCUZPEAR-UONOGXRCSA-N 1 0 382.486 -0.476 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000419172212 1073800222 /nfs/dbraw/zinc/80/02/22/1073800222.db2.gz ULULKFQCUZPEAR-ZIAGYGMSSA-N 1 0 382.486 -0.476 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000419172346 1073800731 /nfs/dbraw/zinc/80/07/31/1073800731.db2.gz UPVOPEOUMQGPKZ-AWEZNQCLSA-N 1 0 382.486 -0.400 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000419172347 1073800521 /nfs/dbraw/zinc/80/05/21/1073800521.db2.gz UPVOPEOUMQGPKZ-CQSZACIVSA-N 1 0 382.486 -0.400 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000419172357 1073800277 /nfs/dbraw/zinc/80/02/77/1073800277.db2.gz UQUWHTNFNFJFBN-CABCVRRESA-N 1 0 396.513 -0.106 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000419172361 1073800009 /nfs/dbraw/zinc/80/00/09/1073800009.db2.gz UQUWHTNFNFJFBN-GJZGRUSLSA-N 1 0 396.513 -0.106 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000419172362 1073800082 /nfs/dbraw/zinc/80/00/82/1073800082.db2.gz UQUWHTNFNFJFBN-HUUCEWRRSA-N 1 0 396.513 -0.106 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000419172363 1073800616 /nfs/dbraw/zinc/80/06/16/1073800616.db2.gz UQUWHTNFNFJFBN-LSDHHAIUSA-N 1 0 396.513 -0.106 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000419173127 1073799976 /nfs/dbraw/zinc/79/99/76/1073799976.db2.gz VEWAZIIAOVGNFQ-CABCVRRESA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000419173128 1073800631 /nfs/dbraw/zinc/80/06/31/1073800631.db2.gz VEWAZIIAOVGNFQ-GJZGRUSLSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000419173129 1073800072 /nfs/dbraw/zinc/80/00/72/1073800072.db2.gz VEWAZIIAOVGNFQ-HUUCEWRRSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000419173130 1073801535 /nfs/dbraw/zinc/80/15/35/1073801535.db2.gz VEWAZIIAOVGNFQ-LSDHHAIUSA-N 1 0 396.513 -0.025 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173562 1073800570 /nfs/dbraw/zinc/80/05/70/1073800570.db2.gz VLHRFXJATOTWHD-GXTWGEPZSA-N 1 0 398.485 -0.690 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173564 1073800400 /nfs/dbraw/zinc/80/04/00/1073800400.db2.gz VLHRFXJATOTWHD-JSGCOSHPSA-N 1 0 398.485 -0.690 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173565 1073800773 /nfs/dbraw/zinc/80/07/73/1073800773.db2.gz VLHRFXJATOTWHD-OCCSQVGLSA-N 1 0 398.485 -0.690 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419173566 1073799872 /nfs/dbraw/zinc/79/98/72/1073799872.db2.gz VLHRFXJATOTWHD-TZMCWYRMSA-N 1 0 398.485 -0.690 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC[NH2+]1 ZINC000419173578 1073800160 /nfs/dbraw/zinc/80/01/60/1073800160.db2.gz VOFYOAZRGRYATA-UHFFFAOYSA-N 1 0 393.488 -0.042 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000419173579 1073799941 /nfs/dbraw/zinc/79/99/41/1073799941.db2.gz MAQNDOPCJADLSH-HNNXBMFYSA-N 1 0 383.443 -0.295 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000419173582 1073800323 /nfs/dbraw/zinc/80/03/23/1073800323.db2.gz MAQNDOPCJADLSH-OAHLLOKOSA-N 1 0 383.443 -0.295 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419173594 1073800040 /nfs/dbraw/zinc/80/00/40/1073800040.db2.gz VRGNFMTYUBHRQB-INIZCTEOSA-N 1 0 389.504 -0.637 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419173597 1073800109 /nfs/dbraw/zinc/80/01/09/1073800109.db2.gz VRGNFMTYUBHRQB-MRXNPFEDSA-N 1 0 389.504 -0.637 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000419173989 1073801550 /nfs/dbraw/zinc/80/15/50/1073801550.db2.gz VWYBGQCTMLKOQR-HNNXBMFYSA-N 1 0 382.486 -0.285 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000419173990 1073801857 /nfs/dbraw/zinc/80/18/57/1073801857.db2.gz VWYBGQCTMLKOQR-OAHLLOKOSA-N 1 0 382.486 -0.285 20 0 GBADRO CS(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419174519 1073801049 /nfs/dbraw/zinc/80/10/49/1073801049.db2.gz WGYMPJGCELLRCM-HNNXBMFYSA-N 1 0 378.454 -0.379 20 0 GBADRO CS(=O)(=O)NCCNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419174520 1073801503 /nfs/dbraw/zinc/80/15/03/1073801503.db2.gz WGYMPJGCELLRCM-OAHLLOKOSA-N 1 0 378.454 -0.379 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N1CCC[NH2+]CC1 ZINC000419174560 1073801163 /nfs/dbraw/zinc/80/11/63/1073801163.db2.gz WLGDBNXTBYWIBF-UHFFFAOYSA-N 1 0 379.461 -0.431 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419174571 1073801594 /nfs/dbraw/zinc/80/15/94/1073801594.db2.gz WMXMIRHWUZWAGY-CYBMUJFWSA-N 1 0 381.477 -0.281 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419174572 1073801405 /nfs/dbraw/zinc/80/14/05/1073801405.db2.gz WMXMIRHWUZWAGY-ZDUSSCGKSA-N 1 0 381.477 -0.281 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419174583 1073801148 /nfs/dbraw/zinc/80/11/48/1073801148.db2.gz WNSJMEDFVUCNBP-KRWDZBQOSA-N 1 0 380.470 -0.707 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419174847 1073801719 /nfs/dbraw/zinc/80/17/19/1073801719.db2.gz WUBJSVRFIHRJRQ-AWEZNQCLSA-N 1 0 393.488 -0.042 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419174848 1073801239 /nfs/dbraw/zinc/80/12/39/1073801239.db2.gz WUBJSVRFIHRJRQ-CQSZACIVSA-N 1 0 393.488 -0.042 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000419174873 1073801179 /nfs/dbraw/zinc/80/11/79/1073801179.db2.gz WXTOQRREBOXFKO-DZGCQCFKSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000419174874 1073801792 /nfs/dbraw/zinc/80/17/92/1073801792.db2.gz WXTOQRREBOXFKO-HIFRSBDPSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000419174875 1073801607 /nfs/dbraw/zinc/80/16/07/1073801607.db2.gz WXTOQRREBOXFKO-UKRRQHHQSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000419174876 1073801079 /nfs/dbraw/zinc/80/10/79/1073801079.db2.gz WXTOQRREBOXFKO-ZFWWWQNUSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419174877 1073801472 /nfs/dbraw/zinc/80/14/72/1073801472.db2.gz WXXCZFGXGQOMEW-UHFFFAOYSA-N 1 0 382.486 -0.400 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)[NH2+]1 ZINC000419174889 1073801638 /nfs/dbraw/zinc/80/16/38/1073801638.db2.gz WZAQQSSVTPBDAN-KBPBESRZSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)[NH2+]1 ZINC000419174890 1073801960 /nfs/dbraw/zinc/80/19/60/1073801960.db2.gz WZAQQSSVTPBDAN-OKILXGFUSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C)[NH2+]1 ZINC000419174891 1073801766 /nfs/dbraw/zinc/80/17/66/1073801766.db2.gz WZAQQSSVTPBDAN-ZIAGYGMSSA-N 1 0 393.488 -0.044 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419174894 1073801745 /nfs/dbraw/zinc/80/17/45/1073801745.db2.gz WZZCQHQRVBLXMT-OKILXGFUSA-N 1 0 380.470 -0.566 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CCCCC1 ZINC000419175125 1073801932 /nfs/dbraw/zinc/80/19/32/1073801932.db2.gz XCUIEGQMTKFVAQ-UHFFFAOYSA-N 1 0 382.486 -0.141 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419175153 1073801572 /nfs/dbraw/zinc/80/15/72/1073801572.db2.gz XJVQPTGIFMHJDX-AWEZNQCLSA-N 1 0 382.486 -0.318 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419175154 1073801106 /nfs/dbraw/zinc/80/11/06/1073801106.db2.gz XJVQPTGIFMHJDX-CQSZACIVSA-N 1 0 382.486 -0.318 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419175592 1073801700 /nfs/dbraw/zinc/80/17/00/1073801700.db2.gz XZUPCRGOHCBTHG-OKILXGFUSA-N 1 0 391.472 -0.575 20 0 GBADRO [NH3+]CCNC(=O)C(=O)NCCOc1ccc(I)cc1 ZINC000419175857 530348433 /nfs/dbraw/zinc/34/84/33/530348433.db2.gz PXZWAYVHLNXHQA-UHFFFAOYSA-N 1 0 377.182 -0.139 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000419176039 1073802962 /nfs/dbraw/zinc/80/29/62/1073802962.db2.gz YFBWTBCIYSHKQB-UHFFFAOYSA-N 1 0 391.520 -0.261 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419176209 1073802337 /nfs/dbraw/zinc/80/23/37/1073802337.db2.gz QDJXAKSRUKBMQP-HNNXBMFYSA-N 1 0 395.504 -0.649 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CCCCC1 ZINC000419176210 1073802933 /nfs/dbraw/zinc/80/29/33/1073802933.db2.gz QDJXAKSRUKBMQP-OAHLLOKOSA-N 1 0 395.504 -0.649 20 0 GBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419176217 1073803114 /nfs/dbraw/zinc/80/31/14/1073803114.db2.gz QEKUMTXBVIXCJA-CABCVRRESA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419176218 1073803031 /nfs/dbraw/zinc/80/30/31/1073803031.db2.gz QEKUMTXBVIXCJA-GJZGRUSLSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419176219 1073802487 /nfs/dbraw/zinc/80/24/87/1073802487.db2.gz QEKUMTXBVIXCJA-HUUCEWRRSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419176220 1073802922 /nfs/dbraw/zinc/80/29/22/1073802922.db2.gz QEKUMTXBVIXCJA-LSDHHAIUSA-N 1 0 390.488 -0.074 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000419176332 1073802227 /nfs/dbraw/zinc/80/22/27/1073802227.db2.gz YSBIOHZSXHCASZ-DZGCQCFKSA-N 1 0 382.486 -0.354 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000419176333 1073802194 /nfs/dbraw/zinc/80/21/94/1073802194.db2.gz YSBIOHZSXHCASZ-HIFRSBDPSA-N 1 0 382.486 -0.354 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000419176334 1073802599 /nfs/dbraw/zinc/80/25/99/1073802599.db2.gz YSBIOHZSXHCASZ-UKRRQHHQSA-N 1 0 382.486 -0.354 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000419176335 1073802527 /nfs/dbraw/zinc/80/25/27/1073802527.db2.gz YSBIOHZSXHCASZ-ZFWWWQNUSA-N 1 0 382.486 -0.354 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419176932 1073802268 /nfs/dbraw/zinc/80/22/68/1073802268.db2.gz ZDKCEFMKJLYGKL-DZGCQCFKSA-N 1 0 382.486 -0.191 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419176935 1073803084 /nfs/dbraw/zinc/80/30/84/1073803084.db2.gz ZDKCEFMKJLYGKL-HIFRSBDPSA-N 1 0 382.486 -0.191 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419176936 1073802950 /nfs/dbraw/zinc/80/29/50/1073802950.db2.gz ZDKCEFMKJLYGKL-UKRRQHHQSA-N 1 0 382.486 -0.191 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000419176937 1073802906 /nfs/dbraw/zinc/80/29/06/1073802906.db2.gz ZDKCEFMKJLYGKL-ZFWWWQNUSA-N 1 0 382.486 -0.191 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419176953 1073802627 /nfs/dbraw/zinc/80/26/27/1073802627.db2.gz ZERSWPDXNNPSLN-KBPBESRZSA-N 1 0 382.486 -0.402 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419176954 1073802287 /nfs/dbraw/zinc/80/22/87/1073802287.db2.gz ZERSWPDXNNPSLN-OKILXGFUSA-N 1 0 382.486 -0.402 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000419176955 1073802381 /nfs/dbraw/zinc/80/23/81/1073802381.db2.gz ZERSWPDXNNPSLN-ZIAGYGMSSA-N 1 0 382.486 -0.402 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419176958 1073802561 /nfs/dbraw/zinc/80/25/61/1073802561.db2.gz ZFGGMKAUJHXGIU-CYBMUJFWSA-N 1 0 381.477 -0.153 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000419176959 1073802856 /nfs/dbraw/zinc/80/28/56/1073802856.db2.gz ZFGGMKAUJHXGIU-ZDUSSCGKSA-N 1 0 381.477 -0.153 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC[NH2+]1 ZINC000419177005 1073802745 /nfs/dbraw/zinc/80/27/45/1073802745.db2.gz ZNAAWJAVFOVBQI-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC[NH2+]1 ZINC000419177006 1073802501 /nfs/dbraw/zinc/80/25/01/1073802501.db2.gz ZNAAWJAVFOVBQI-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO CS(=O)(=O)NCCNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419177443 1073802686 /nfs/dbraw/zinc/80/26/86/1073802686.db2.gz ZSVWBDKABDVULP-KGLIPLIRSA-N 1 0 386.449 -0.866 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000419177477 1073802242 /nfs/dbraw/zinc/80/22/42/1073802242.db2.gz ZWSUYUMGNYUZIJ-CYBMUJFWSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000419177478 1073802820 /nfs/dbraw/zinc/80/28/20/1073802820.db2.gz ZWSUYUMGNYUZIJ-ZDUSSCGKSA-N 1 0 379.461 -0.399 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177791 1073804218 /nfs/dbraw/zinc/80/42/18/1073804218.db2.gz SJEWAGXVWUYHDJ-GUTXKFCHSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177792 1073803920 /nfs/dbraw/zinc/80/39/20/1073803920.db2.gz SJEWAGXVWUYHDJ-GZBFAFLISA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177794 1073804330 /nfs/dbraw/zinc/80/43/30/1073804330.db2.gz SJEWAGXVWUYHDJ-KCQAQPDRSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000419177796 1073802353 /nfs/dbraw/zinc/80/23/53/1073802353.db2.gz SJEWAGXVWUYHDJ-YDHLFZDLSA-N 1 0 378.477 -0.266 20 0 GBADRO CO[C@@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(F)(F)F ZINC000419177909 1073803828 /nfs/dbraw/zinc/80/38/28/1073803828.db2.gz ASLLXVHXWLGWCZ-NEPJUHHUSA-N 1 0 396.410 -0.084 20 0 GBADRO CO[C@H](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(F)(F)F ZINC000419177910 1073803892 /nfs/dbraw/zinc/80/38/92/1073803892.db2.gz ASLLXVHXWLGWCZ-NWDGAFQWSA-N 1 0 396.410 -0.084 20 0 GBADRO CO[C@@H](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(F)(F)F ZINC000419177911 1073803812 /nfs/dbraw/zinc/80/38/12/1073803812.db2.gz ASLLXVHXWLGWCZ-RYUDHWBXSA-N 1 0 396.410 -0.084 20 0 GBADRO CO[C@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(F)(F)F ZINC000419177912 1073804508 /nfs/dbraw/zinc/80/45/08/1073804508.db2.gz ASLLXVHXWLGWCZ-VXGBXAGGSA-N 1 0 396.410 -0.084 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(C)o1 ZINC000419180329 1073805314 /nfs/dbraw/zinc/80/53/14/1073805314.db2.gz JOKYUIJJUNUFII-KBPBESRZSA-N 1 0 380.445 -0.295 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(C)o1 ZINC000419180331 1073805511 /nfs/dbraw/zinc/80/55/11/1073805511.db2.gz JOKYUIJJUNUFII-KGLIPLIRSA-N 1 0 380.445 -0.295 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(C)o1 ZINC000419180336 1073804817 /nfs/dbraw/zinc/80/48/17/1073804817.db2.gz JOKYUIJJUNUFII-UONOGXRCSA-N 1 0 380.445 -0.295 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(C)o1 ZINC000419180338 1073805424 /nfs/dbraw/zinc/80/54/24/1073805424.db2.gz JOKYUIJJUNUFII-ZIAGYGMSSA-N 1 0 380.445 -0.295 20 0 GBADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000419180443 1073805458 /nfs/dbraw/zinc/80/54/58/1073805458.db2.gz JVIIUTZWFUYIJS-DZGCQCFKSA-N 1 0 394.472 -0.041 20 0 GBADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000419180445 1073804871 /nfs/dbraw/zinc/80/48/71/1073804871.db2.gz JVIIUTZWFUYIJS-HIFRSBDPSA-N 1 0 394.472 -0.041 20 0 GBADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000419180447 1073805415 /nfs/dbraw/zinc/80/54/15/1073805415.db2.gz JVIIUTZWFUYIJS-UKRRQHHQSA-N 1 0 394.472 -0.041 20 0 GBADRO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000419180449 1073805582 /nfs/dbraw/zinc/80/55/82/1073805582.db2.gz JVIIUTZWFUYIJS-ZFWWWQNUSA-N 1 0 394.472 -0.041 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000419181092 1073805822 /nfs/dbraw/zinc/80/58/22/1073805822.db2.gz KMGWCTXIZBWYGY-CABCVRRESA-N 1 0 392.456 -0.246 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000419181100 1073805954 /nfs/dbraw/zinc/80/59/54/1073805954.db2.gz KMGWCTXIZBWYGY-GJZGRUSLSA-N 1 0 392.456 -0.246 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000419181102 1073806378 /nfs/dbraw/zinc/80/63/78/1073806378.db2.gz KMGWCTXIZBWYGY-HUUCEWRRSA-N 1 0 392.456 -0.246 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000419181103 1073806472 /nfs/dbraw/zinc/80/64/72/1073806472.db2.gz KMGWCTXIZBWYGY-LSDHHAIUSA-N 1 0 392.456 -0.246 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419182976 1073806154 /nfs/dbraw/zinc/80/61/54/1073806154.db2.gz CKTAYTNFUUPJDC-GDBMZVCRSA-N 1 0 394.447 -0.057 20 0 GBADRO CO[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419182977 1073806467 /nfs/dbraw/zinc/80/64/67/1073806467.db2.gz CKTAYTNFUUPJDC-GOEBONIOSA-N 1 0 394.447 -0.057 20 0 GBADRO CO[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419182978 1073806898 /nfs/dbraw/zinc/80/68/98/1073806898.db2.gz CKTAYTNFUUPJDC-HOCLYGCPSA-N 1 0 394.447 -0.057 20 0 GBADRO CO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419182979 1073806437 /nfs/dbraw/zinc/80/64/37/1073806437.db2.gz CKTAYTNFUUPJDC-ZBFHGGJFSA-N 1 0 394.447 -0.057 20 0 GBADRO CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000419185651 1073805853 /nfs/dbraw/zinc/80/58/53/1073805853.db2.gz GFMASXGGOJYWEV-KBPBESRZSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000419185652 1073806070 /nfs/dbraw/zinc/80/60/70/1073806070.db2.gz GFMASXGGOJYWEV-KGLIPLIRSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000419185653 1073806752 /nfs/dbraw/zinc/80/67/52/1073806752.db2.gz GFMASXGGOJYWEV-UONOGXRCSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000419185654 1073806846 /nfs/dbraw/zinc/80/68/46/1073806846.db2.gz GFMASXGGOJYWEV-ZIAGYGMSSA-N 1 0 395.504 -0.652 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000419186266 1073806459 /nfs/dbraw/zinc/80/64/59/1073806459.db2.gz LUCPKFLVWJIOBD-BHOIQGAFSA-N 1 0 392.500 -0.143 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000419186268 1073806829 /nfs/dbraw/zinc/80/68/29/1073806829.db2.gz LUCPKFLVWJIOBD-BVOVVCLWSA-N 1 0 392.500 -0.143 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000419186270 1073805977 /nfs/dbraw/zinc/80/59/77/1073805977.db2.gz LUCPKFLVWJIOBD-DXFIHEEPSA-N 1 0 392.500 -0.143 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000419186271 1073806814 /nfs/dbraw/zinc/80/68/14/1073806814.db2.gz LUCPKFLVWJIOBD-PVWIJFIWSA-N 1 0 392.500 -0.143 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000419187610 1073806166 /nfs/dbraw/zinc/80/61/66/1073806166.db2.gz JCEOZZSZFSQZPO-HNNXBMFYSA-N 1 0 388.534 -0.093 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000419187611 1073806347 /nfs/dbraw/zinc/80/63/47/1073806347.db2.gz JCEOZZSZFSQZPO-OAHLLOKOSA-N 1 0 388.534 -0.093 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419188181 1073804300 /nfs/dbraw/zinc/80/43/00/1073804300.db2.gz JYWQAFIDBYVYAX-HIFRSBDPSA-N 1 0 388.534 -0.107 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419188182 1073804262 /nfs/dbraw/zinc/80/42/62/1073804262.db2.gz JYWQAFIDBYVYAX-UKRRQHHQSA-N 1 0 388.534 -0.107 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419188183 1073803550 /nfs/dbraw/zinc/80/35/50/1073803550.db2.gz JYWQAFIDBYVYAX-ZFWWWQNUSA-N 1 0 388.534 -0.107 20 0 GBADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1=O ZINC000419194213 1073804936 /nfs/dbraw/zinc/80/49/36/1073804936.db2.gz VWIFTYLTNIBGBA-JKJDWNRSSA-N 1 0 390.484 -0.661 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1=O ZINC000419194214 1073805042 /nfs/dbraw/zinc/80/50/42/1073805042.db2.gz VWIFTYLTNIBGBA-LEOABGAYSA-N 1 0 390.484 -0.661 20 0 GBADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1=O ZINC000419194215 1073805473 /nfs/dbraw/zinc/80/54/73/1073805473.db2.gz VWIFTYLTNIBGBA-QCODTGAPSA-N 1 0 390.484 -0.661 20 0 GBADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1=O ZINC000419194216 1073804979 /nfs/dbraw/zinc/80/49/79/1073804979.db2.gz VWIFTYLTNIBGBA-SUJAAXHWSA-N 1 0 390.484 -0.661 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419195587 530348919 /nfs/dbraw/zinc/34/89/19/530348919.db2.gz YECGKTKUIHVJHI-CYBMUJFWSA-N 1 0 399.289 -0.076 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419195588 530348689 /nfs/dbraw/zinc/34/86/89/530348689.db2.gz YECGKTKUIHVJHI-ZDUSSCGKSA-N 1 0 399.289 -0.076 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000419197046 1073807610 /nfs/dbraw/zinc/80/76/10/1073807610.db2.gz BNBCMVYGIJUONY-HNNXBMFYSA-N 1 0 376.457 -0.020 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000419197047 1073807495 /nfs/dbraw/zinc/80/74/95/1073807495.db2.gz BNBCMVYGIJUONY-OAHLLOKOSA-N 1 0 376.457 -0.020 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000419197065 1073807631 /nfs/dbraw/zinc/80/76/31/1073807631.db2.gz BOPMFFNHERENKZ-HNNXBMFYSA-N 1 0 387.484 -0.489 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000419197066 1073807392 /nfs/dbraw/zinc/80/73/92/1073807392.db2.gz BOPMFFNHERENKZ-OAHLLOKOSA-N 1 0 387.484 -0.489 20 0 GBADRO COc1cccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419197111 1073808153 /nfs/dbraw/zinc/80/81/53/1073808153.db2.gz XNRHRKCHZAJINX-HNNXBMFYSA-N 1 0 376.457 -0.333 20 0 GBADRO COc1cccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419197112 1073808141 /nfs/dbraw/zinc/80/81/41/1073808141.db2.gz XNRHRKCHZAJINX-OAHLLOKOSA-N 1 0 376.457 -0.333 20 0 GBADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000419197253 1073808597 /nfs/dbraw/zinc/80/85/97/1073808597.db2.gz UONFEZLLFIRZQH-GRYCIOLGSA-N 1 0 380.411 -0.132 20 0 GBADRO CO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000419197254 1073809209 /nfs/dbraw/zinc/80/92/09/1073809209.db2.gz UONFEZLLFIRZQH-IJLUTSLNSA-N 1 0 380.411 -0.132 20 0 GBADRO CO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000419197255 1073809289 /nfs/dbraw/zinc/80/92/89/1073809289.db2.gz UONFEZLLFIRZQH-QJPTWQEYSA-N 1 0 380.411 -0.132 20 0 GBADRO CO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000419197256 1073808563 /nfs/dbraw/zinc/80/85/63/1073808563.db2.gz UONFEZLLFIRZQH-SDDRHHMPSA-N 1 0 380.411 -0.132 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CCO1 ZINC000419197314 1073808893 /nfs/dbraw/zinc/80/88/93/1073808893.db2.gz BMTPTUBLLREFMS-NCOADZHNSA-N 1 0 386.452 -0.554 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CCO1 ZINC000419197316 1073809131 /nfs/dbraw/zinc/80/91/31/1073809131.db2.gz BMTPTUBLLREFMS-QBPKDAKJSA-N 1 0 386.452 -0.554 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CCO1 ZINC000419197318 1073809169 /nfs/dbraw/zinc/80/91/69/1073809169.db2.gz BMTPTUBLLREFMS-VQHPVUNQSA-N 1 0 386.452 -0.554 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CCO1 ZINC000419197319 1073808713 /nfs/dbraw/zinc/80/87/13/1073808713.db2.gz BMTPTUBLLREFMS-WCXIOVBPSA-N 1 0 386.452 -0.554 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419197627 1073803517 /nfs/dbraw/zinc/80/35/17/1073803517.db2.gz BSECFCWGHDKCJA-KBPBESRZSA-N 1 0 376.457 -0.021 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419197630 1073803954 /nfs/dbraw/zinc/80/39/54/1073803954.db2.gz BSECFCWGHDKCJA-KGLIPLIRSA-N 1 0 376.457 -0.021 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000419197631 1073804364 /nfs/dbraw/zinc/80/43/64/1073804364.db2.gz BSECFCWGHDKCJA-UONOGXRCSA-N 1 0 376.457 -0.021 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)[C@H](C)C[NH2+]1 ZINC000419197633 1073804349 /nfs/dbraw/zinc/80/43/49/1073804349.db2.gz BSECFCWGHDKCJA-ZIAGYGMSSA-N 1 0 376.457 -0.021 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419198049 1073807161 /nfs/dbraw/zinc/80/71/61/1073807161.db2.gz CGEZBBNYGWVHFK-FGTMMUONSA-N 1 0 399.495 -0.719 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419198064 1073807951 /nfs/dbraw/zinc/80/79/51/1073807951.db2.gz CGEZBBNYGWVHFK-KURKYZTESA-N 1 0 399.495 -0.719 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419198067 1073807142 /nfs/dbraw/zinc/80/71/42/1073807142.db2.gz CGEZBBNYGWVHFK-KZNAEPCWSA-N 1 0 399.495 -0.719 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419198069 1073807210 /nfs/dbraw/zinc/80/72/10/1073807210.db2.gz CGEZBBNYGWVHFK-SQNIBIBYSA-N 1 0 399.495 -0.719 20 0 GBADRO CC(C)C[C@H](CCO)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419198954 1073808662 /nfs/dbraw/zinc/80/86/62/1073808662.db2.gz VWBBEZNQDOHJRF-DLBZAZTESA-N 1 0 396.532 -0.182 20 0 GBADRO CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419198956 1073808838 /nfs/dbraw/zinc/80/88/38/1073808838.db2.gz VWBBEZNQDOHJRF-IAGOWNOFSA-N 1 0 396.532 -0.182 20 0 GBADRO CC(C)C[C@H](CCO)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419198959 1073808754 /nfs/dbraw/zinc/80/87/54/1073808754.db2.gz VWBBEZNQDOHJRF-IRXDYDNUSA-N 1 0 396.532 -0.182 20 0 GBADRO CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419198961 1073808490 /nfs/dbraw/zinc/80/84/90/1073808490.db2.gz VWBBEZNQDOHJRF-SJORKVTESA-N 1 0 396.532 -0.182 20 0 GBADRO O=C1CCc2cc(OC[C@@H](O)C[N@H+](CCO)CCN3CCOCC3)ccc2N1 ZINC000419200997 1072295452 /nfs/dbraw/zinc/29/54/52/1072295452.db2.gz BKPZOXRADCYMCW-KRWDZBQOSA-N 1 0 393.484 -0.063 20 0 GBADRO O=C1CCc2cc(OC[C@H](O)C[N@H+](CCO)CCN3CCOCC3)ccc2N1 ZINC000419200998 1072295191 /nfs/dbraw/zinc/29/51/91/1072295191.db2.gz BKPZOXRADCYMCW-QGZVFWFLSA-N 1 0 393.484 -0.063 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419201477 1073809316 /nfs/dbraw/zinc/80/93/16/1073809316.db2.gz GIPJNCGWBIDJGY-GDBMZVCRSA-N 1 0 394.447 -0.057 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419201479 1073808535 /nfs/dbraw/zinc/80/85/35/1073808535.db2.gz GIPJNCGWBIDJGY-GOEBONIOSA-N 1 0 394.447 -0.057 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419201481 1073809928 /nfs/dbraw/zinc/80/99/28/1073809928.db2.gz GIPJNCGWBIDJGY-HOCLYGCPSA-N 1 0 394.447 -0.057 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000419201483 1073809586 /nfs/dbraw/zinc/80/95/86/1073809586.db2.gz GIPJNCGWBIDJGY-ZBFHGGJFSA-N 1 0 394.447 -0.057 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000419203248 1073811773 /nfs/dbraw/zinc/81/17/73/1073811773.db2.gz NZGLYGXBFTYQGW-CXAGYDPISA-N 1 0 392.456 -0.497 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000419203249 1073811760 /nfs/dbraw/zinc/81/17/60/1073811760.db2.gz NZGLYGXBFTYQGW-DYVFJYSZSA-N 1 0 392.456 -0.497 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000419203250 1073811536 /nfs/dbraw/zinc/81/15/36/1073811536.db2.gz NZGLYGXBFTYQGW-GUYCJALGSA-N 1 0 392.456 -0.497 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000419203251 1073810817 /nfs/dbraw/zinc/81/08/17/1073810817.db2.gz NZGLYGXBFTYQGW-SUMWQHHRSA-N 1 0 392.456 -0.497 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000419204238 1073813092 /nfs/dbraw/zinc/81/30/92/1073813092.db2.gz IQDLKZNIWLVBFD-CYBMUJFWSA-N 1 0 392.456 -0.353 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000419204241 1073812167 /nfs/dbraw/zinc/81/21/67/1073812167.db2.gz IQDLKZNIWLVBFD-ZDUSSCGKSA-N 1 0 392.456 -0.353 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000419205082 1073813595 /nfs/dbraw/zinc/81/35/95/1073813595.db2.gz KAHCYHARSUJTOF-INIZCTEOSA-N 1 0 398.891 -0.391 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000419205084 1073814039 /nfs/dbraw/zinc/81/40/39/1073814039.db2.gz KAHCYHARSUJTOF-MRXNPFEDSA-N 1 0 398.891 -0.391 20 0 GBADRO CC1CCN(c2ccc(CNC(=O)C(=O)NCCN3CC[NH2+]CC3)cn2)CC1 ZINC000419205497 1073813954 /nfs/dbraw/zinc/81/39/54/1073813954.db2.gz LFIODDJFJWFYPO-UHFFFAOYSA-N 1 0 388.516 -0.045 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)c1 ZINC000419206188 1073816724 /nfs/dbraw/zinc/81/67/24/1073816724.db2.gz RIDRWOJWOXTCDN-CXAGYDPISA-N 1 0 392.456 -0.415 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000419206189 1073816238 /nfs/dbraw/zinc/81/62/38/1073816238.db2.gz RIDRWOJWOXTCDN-DYVFJYSZSA-N 1 0 392.456 -0.415 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000419206190 1073816190 /nfs/dbraw/zinc/81/61/90/1073816190.db2.gz RIDRWOJWOXTCDN-GUYCJALGSA-N 1 0 392.456 -0.415 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)c1 ZINC000419206191 1073816711 /nfs/dbraw/zinc/81/67/11/1073816711.db2.gz RIDRWOJWOXTCDN-SUMWQHHRSA-N 1 0 392.456 -0.415 20 0 GBADRO CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419206206 1073817187 /nfs/dbraw/zinc/81/71/87/1073817187.db2.gz RKWXNJPTJMGKCZ-CVEARBPZSA-N 1 0 376.457 -0.149 20 0 GBADRO CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419206207 1073817076 /nfs/dbraw/zinc/81/70/76/1073817076.db2.gz RKWXNJPTJMGKCZ-HOTGVXAUSA-N 1 0 376.457 -0.149 20 0 GBADRO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419206208 1073817247 /nfs/dbraw/zinc/81/72/47/1073817247.db2.gz RKWXNJPTJMGKCZ-HZPDHXFCSA-N 1 0 376.457 -0.149 20 0 GBADRO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419206209 1073817464 /nfs/dbraw/zinc/81/74/64/1073817464.db2.gz RKWXNJPTJMGKCZ-JKSUJKDBSA-N 1 0 376.457 -0.149 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419207999 1073825747 /nfs/dbraw/zinc/82/57/47/1073825747.db2.gz NOMDDJSJJZVVIH-ALYAQQCSSA-N 1 0 386.452 -0.949 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419208000 1073825660 /nfs/dbraw/zinc/82/56/60/1073825660.db2.gz NOMDDJSJJZVVIH-MTSZKFMLSA-N 1 0 386.452 -0.949 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419208001 1073825687 /nfs/dbraw/zinc/82/56/87/1073825687.db2.gz NOMDDJSJJZVVIH-NRKLIOEPSA-N 1 0 386.452 -0.949 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419208002 1073825624 /nfs/dbraw/zinc/82/56/24/1073825624.db2.gz NOMDDJSJJZVVIH-XAJHFOFHSA-N 1 0 386.452 -0.949 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[C@H]([NH3+])C1)CC2 ZINC000419208400 1073823660 /nfs/dbraw/zinc/82/36/60/1073823660.db2.gz AFHCGPWDCCFKJO-HNNXBMFYSA-N 1 0 376.457 -0.262 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)CC2 ZINC000419208401 1073823778 /nfs/dbraw/zinc/82/37/78/1073823778.db2.gz AFHCGPWDCCFKJO-OAHLLOKOSA-N 1 0 376.457 -0.262 20 0 GBADRO COc1ccc(OC(F)F)c(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419208554 1073822179 /nfs/dbraw/zinc/82/21/79/1073822179.db2.gz VRRBNFYAXMVVJW-UHFFFAOYSA-N 1 0 386.399 -0.066 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419208682 1073821254 /nfs/dbraw/zinc/82/12/54/1073821254.db2.gz OJTAGIJRQGTDMC-LTIDMASMSA-N 1 0 386.452 -0.636 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419208683 1073821376 /nfs/dbraw/zinc/82/13/76/1073821376.db2.gz OJTAGIJRQGTDMC-QZWWFDLISA-N 1 0 386.452 -0.636 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419208684 1073821937 /nfs/dbraw/zinc/82/19/37/1073821937.db2.gz OJTAGIJRQGTDMC-TWMKSMIVSA-N 1 0 386.452 -0.636 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419208685 1073821702 /nfs/dbraw/zinc/82/17/02/1073821702.db2.gz OJTAGIJRQGTDMC-YYIAUSFCSA-N 1 0 386.452 -0.636 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)c1 ZINC000419209426 1073830310 /nfs/dbraw/zinc/83/03/10/1073830310.db2.gz WUCPPJHRUHEMKZ-CYBMUJFWSA-N 1 0 380.445 -0.822 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)c1 ZINC000419209428 1073829768 /nfs/dbraw/zinc/82/97/68/1073829768.db2.gz WUCPPJHRUHEMKZ-ZDUSSCGKSA-N 1 0 380.445 -0.822 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419210187 1073831586 /nfs/dbraw/zinc/83/15/86/1073831586.db2.gz UPEBZMZCYZHGAD-CABCVRRESA-N 1 0 389.500 -0.197 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000419210362 1073829955 /nfs/dbraw/zinc/82/99/55/1073829955.db2.gz YARDTYVGUIXNKO-CYBMUJFWSA-N 1 0 381.427 -0.319 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000419210365 1073830222 /nfs/dbraw/zinc/83/02/22/1073830222.db2.gz YARDTYVGUIXNKO-ZDUSSCGKSA-N 1 0 381.427 -0.319 20 0 GBADRO NCC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419212108 1073833431 /nfs/dbraw/zinc/83/34/31/1073833431.db2.gz UGHUNAXGDMDBGS-HZSPNIEDSA-N 1 0 380.395 -0.030 20 0 GBADRO NCC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212109 1073833680 /nfs/dbraw/zinc/83/36/80/1073833680.db2.gz UGHUNAXGDMDBGS-MCIONIFRSA-N 1 0 380.395 -0.030 20 0 GBADRO NCC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212110 1073833536 /nfs/dbraw/zinc/83/35/36/1073833536.db2.gz UGHUNAXGDMDBGS-MGPQQGTHSA-N 1 0 380.395 -0.030 20 0 GBADRO NCC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419212116 1073833835 /nfs/dbraw/zinc/83/38/35/1073833835.db2.gz UGHUNAXGDMDBGS-RDBSUJKOSA-N 1 0 380.395 -0.030 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419212125 1073833931 /nfs/dbraw/zinc/83/39/31/1073833931.db2.gz ZCYCBXSWVFGQBD-AWEZNQCLSA-N 1 0 375.473 -0.586 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419212126 1073833584 /nfs/dbraw/zinc/83/35/84/1073833584.db2.gz ZCYCBXSWVFGQBD-CQSZACIVSA-N 1 0 375.473 -0.586 20 0 GBADRO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419212637 1073833257 /nfs/dbraw/zinc/83/32/57/1073833257.db2.gz VCGHRDHFDAFNHW-CWQOZTLDSA-N 1 0 382.464 -0.063 20 0 GBADRO O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419212638 1073833419 /nfs/dbraw/zinc/83/34/19/1073833419.db2.gz VCGHRDHFDAFNHW-ILOCAZANSA-N 1 0 382.464 -0.063 20 0 GBADRO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419212639 1073833822 /nfs/dbraw/zinc/83/38/22/1073833822.db2.gz VCGHRDHFDAFNHW-MDMSPXHWSA-N 1 0 382.464 -0.063 20 0 GBADRO O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419212641 1073833368 /nfs/dbraw/zinc/83/33/68/1073833368.db2.gz VCGHRDHFDAFNHW-WKULXVSPSA-N 1 0 382.464 -0.063 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212881 1073836646 /nfs/dbraw/zinc/83/66/46/1073836646.db2.gz VNJXBIYYSUWKHF-BRWVUGGUSA-N 1 0 388.468 -0.388 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000419212887 1073836937 /nfs/dbraw/zinc/83/69/37/1073836937.db2.gz VNJXBIYYSUWKHF-IKGGRYGDSA-N 1 0 388.468 -0.388 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000419212890 1073836886 /nfs/dbraw/zinc/83/68/86/1073836886.db2.gz VNJXBIYYSUWKHF-IXDOHACOSA-N 1 0 388.468 -0.388 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000419212893 1073837167 /nfs/dbraw/zinc/83/71/67/1073837167.db2.gz VNJXBIYYSUWKHF-ZACQAIPSSA-N 1 0 388.468 -0.388 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000419214123 1073841356 /nfs/dbraw/zinc/84/13/56/1073841356.db2.gz MIRNNUQUZJIJST-HNNXBMFYSA-N 1 0 387.484 -0.489 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000419214124 1073841208 /nfs/dbraw/zinc/84/12/08/1073841208.db2.gz MIRNNUQUZJIJST-OAHLLOKOSA-N 1 0 387.484 -0.489 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419214208 1073839998 /nfs/dbraw/zinc/83/99/98/1073839998.db2.gz ANWNCPCMERTJTD-INIZCTEOSA-N 1 0 389.500 -0.059 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419214213 1073840270 /nfs/dbraw/zinc/84/02/70/1073840270.db2.gz ANWNCPCMERTJTD-MRXNPFEDSA-N 1 0 389.500 -0.059 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C[C@H](C)[NH2+]1 ZINC000419214525 1073839188 /nfs/dbraw/zinc/83/91/88/1073839188.db2.gz MZTIULMGSUPDCG-KBPBESRZSA-N 1 0 376.457 -0.021 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C[C@H](C)[NH2+]1 ZINC000419214526 1073838934 /nfs/dbraw/zinc/83/89/34/1073838934.db2.gz MZTIULMGSUPDCG-OKILXGFUSA-N 1 0 376.457 -0.021 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C[C@@H](C)[NH2+]1 ZINC000419214527 1073838916 /nfs/dbraw/zinc/83/89/16/1073838916.db2.gz MZTIULMGSUPDCG-ZIAGYGMSSA-N 1 0 376.457 -0.021 20 0 GBADRO COc1cccc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000419217484 1073852510 /nfs/dbraw/zinc/85/25/10/1073852510.db2.gz PRAMDMBSDBKPEZ-GFCCVEGCSA-N 1 0 389.378 -0.341 20 0 GBADRO COc1cccc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000419217485 1073852114 /nfs/dbraw/zinc/85/21/14/1073852114.db2.gz PRAMDMBSDBKPEZ-LBPRGKRZSA-N 1 0 389.378 -0.341 20 0 GBADRO CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000419219621 1073856577 /nfs/dbraw/zinc/85/65/77/1073856577.db2.gz UIGKJTULZRLYHO-UHFFFAOYSA-N 1 0 376.457 -0.020 20 0 GBADRO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419220937 1073859366 /nfs/dbraw/zinc/85/93/66/1073859366.db2.gz VIWRDBNAHKWMGD-NEPJUHHUSA-N 1 0 396.410 -0.084 20 0 GBADRO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419220939 1073859399 /nfs/dbraw/zinc/85/93/99/1073859399.db2.gz VIWRDBNAHKWMGD-NWDGAFQWSA-N 1 0 396.410 -0.084 20 0 GBADRO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419220940 1073859407 /nfs/dbraw/zinc/85/94/07/1073859407.db2.gz VIWRDBNAHKWMGD-RYUDHWBXSA-N 1 0 396.410 -0.084 20 0 GBADRO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419220942 1073859521 /nfs/dbraw/zinc/85/95/21/1073859521.db2.gz VIWRDBNAHKWMGD-VXGBXAGGSA-N 1 0 396.410 -0.084 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000419222148 1073861076 /nfs/dbraw/zinc/86/10/76/1073861076.db2.gz WRLKKOPMSDXUFS-AWEZNQCLSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000419222149 1073861139 /nfs/dbraw/zinc/86/11/39/1073861139.db2.gz WRLKKOPMSDXUFS-CQSZACIVSA-N 1 0 377.445 -0.448 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000419222997 1073862664 /nfs/dbraw/zinc/86/26/64/1073862664.db2.gz XWQNMITZUNCBTP-CYBMUJFWSA-N 1 0 392.456 -0.353 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000419222999 1073862637 /nfs/dbraw/zinc/86/26/37/1073862637.db2.gz XWQNMITZUNCBTP-ZDUSSCGKSA-N 1 0 392.456 -0.353 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000419224196 1073864009 /nfs/dbraw/zinc/86/40/09/1073864009.db2.gz ZHIWUULWFAWIRB-AWEZNQCLSA-N 1 0 389.456 -0.623 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000419224198 1073863415 /nfs/dbraw/zinc/86/34/15/1073863415.db2.gz ZHIWUULWFAWIRB-CQSZACIVSA-N 1 0 389.456 -0.623 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224718 1073865071 /nfs/dbraw/zinc/86/50/71/1073865071.db2.gz BSLCIYLCQSFCJN-INIZCTEOSA-N 1 0 390.484 -0.002 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000419224719 1073866184 /nfs/dbraw/zinc/86/61/84/1073866184.db2.gz BSLCIYLCQSFCJN-MRXNPFEDSA-N 1 0 390.484 -0.002 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[NH2+]CC1)CC2 ZINC000419225172 1073864720 /nfs/dbraw/zinc/86/47/20/1073864720.db2.gz CDPQILCBQVHISN-UHFFFAOYSA-N 1 0 376.457 -0.390 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000419225581 1073864421 /nfs/dbraw/zinc/86/44/21/1073864421.db2.gz PFKHUFMHFSMCMS-BBWFWOEESA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000419225582 1073864582 /nfs/dbraw/zinc/86/45/82/1073864582.db2.gz PFKHUFMHFSMCMS-GVDBMIGSSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)cc1 ZINC000419225583 1073864530 /nfs/dbraw/zinc/86/45/30/1073864530.db2.gz PFKHUFMHFSMCMS-ULQDDVLXSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)cc1 ZINC000419225584 1073864540 /nfs/dbraw/zinc/86/45/40/1073864540.db2.gz PFKHUFMHFSMCMS-YESZJQIVSA-N 1 0 388.468 -0.006 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)CC2 ZINC000419225962 1073867052 /nfs/dbraw/zinc/86/70/52/1073867052.db2.gz CZPBFKPRQGGNPN-AWEZNQCLSA-N 1 0 390.484 -0.015 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)CC2 ZINC000419225963 1073867338 /nfs/dbraw/zinc/86/73/38/1073867338.db2.gz CZPBFKPRQGGNPN-CQSZACIVSA-N 1 0 390.484 -0.015 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000419226206 1073866031 /nfs/dbraw/zinc/86/60/31/1073866031.db2.gz DEDXNRNVAWBLHD-UHFFFAOYSA-N 1 0 378.473 -0.096 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000419226684 1073865307 /nfs/dbraw/zinc/86/53/07/1073865307.db2.gz DLFAAMKXFFVKKP-CYBMUJFWSA-N 1 0 378.473 -0.111 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000419226686 1073864947 /nfs/dbraw/zinc/86/49/47/1073864947.db2.gz DLFAAMKXFFVKKP-ZDUSSCGKSA-N 1 0 378.473 -0.111 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCc2sccc2C1 ZINC000419228245 1073869524 /nfs/dbraw/zinc/86/95/24/1073869524.db2.gz GQSWJRCTISJWHG-AWEZNQCLSA-N 1 0 379.530 -0.368 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCc2sccc2C1 ZINC000419228250 1073869151 /nfs/dbraw/zinc/86/91/51/1073869151.db2.gz GQSWJRCTISJWHG-CQSZACIVSA-N 1 0 379.530 -0.368 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000419229022 1073871273 /nfs/dbraw/zinc/87/12/73/1073871273.db2.gz HFGDBVZHKBPGKZ-AWEZNQCLSA-N 1 0 390.484 -0.002 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000419229023 1073871928 /nfs/dbraw/zinc/87/19/28/1073871928.db2.gz HFGDBVZHKBPGKZ-CQSZACIVSA-N 1 0 390.484 -0.002 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000419230891 1073871578 /nfs/dbraw/zinc/87/15/78/1073871578.db2.gz JEDIPSDCMYZTGC-CYBMUJFWSA-N 1 0 378.473 -0.098 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000419230892 1073871382 /nfs/dbraw/zinc/87/13/82/1073871382.db2.gz JEDIPSDCMYZTGC-ZDUSSCGKSA-N 1 0 378.473 -0.098 20 0 GBADRO COC1CCC(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419231104 1073871617 /nfs/dbraw/zinc/87/16/17/1073871617.db2.gz ZLTMYWXIUVVCMK-AQFXKWCLSA-N 1 0 394.516 -0.022 20 0 GBADRO COC1CCC(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419231105 1073871862 /nfs/dbraw/zinc/87/18/62/1073871862.db2.gz ZLTMYWXIUVVCMK-CGZBRXJRSA-N 1 0 394.516 -0.022 20 0 GBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419231352 1073872002 /nfs/dbraw/zinc/87/20/02/1073872002.db2.gz ZOXWMWSKVIHMSV-INIZCTEOSA-N 1 0 377.489 -0.823 20 0 GBADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419231353 1073871542 /nfs/dbraw/zinc/87/15/42/1073871542.db2.gz ZOXWMWSKVIHMSV-MRXNPFEDSA-N 1 0 377.489 -0.823 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000419232123 1073872720 /nfs/dbraw/zinc/87/27/20/1073872720.db2.gz KMRNXKKYUBQELM-AWEZNQCLSA-N 1 0 390.484 -0.002 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000419232124 1073873475 /nfs/dbraw/zinc/87/34/75/1073873475.db2.gz KMRNXKKYUBQELM-CQSZACIVSA-N 1 0 390.484 -0.002 20 0 GBADRO O=C(NCc1ccn2ccnc2c1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419232162 1073873206 /nfs/dbraw/zinc/87/32/06/1073873206.db2.gz DREOVJHAYNBPJA-INIZCTEOSA-N 1 0 398.467 -0.379 20 0 GBADRO O=C(NCc1ccn2ccnc2c1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419232163 1073872865 /nfs/dbraw/zinc/87/28/65/1073872865.db2.gz DREOVJHAYNBPJA-MRXNPFEDSA-N 1 0 398.467 -0.379 20 0 GBADRO CN(C(=O)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419232491 1073873347 /nfs/dbraw/zinc/87/33/47/1073873347.db2.gz URBZIDUURBPHPI-RYUDHWBXSA-N 1 0 379.804 -0.203 20 0 GBADRO CN(C(=O)C(=O)NCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419234298 1073872910 /nfs/dbraw/zinc/87/29/10/1073872910.db2.gz XLQZUUSQGZMVMW-RYUDHWBXSA-N 1 0 379.804 -0.203 20 0 GBADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419234606 1073873979 /nfs/dbraw/zinc/87/39/79/1073873979.db2.gz MEUVZGOIERJHRV-KRWDZBQOSA-N 1 0 393.532 -0.210 20 0 GBADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419234609 1073874283 /nfs/dbraw/zinc/87/42/83/1073874283.db2.gz MEUVZGOIERJHRV-QGZVFWFLSA-N 1 0 393.532 -0.210 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000419236216 1073874628 /nfs/dbraw/zinc/87/46/28/1073874628.db2.gz NREJVHMKCUOYIM-BBRMVZONSA-N 1 0 390.484 -0.016 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)CC2 ZINC000419236218 1073875743 /nfs/dbraw/zinc/87/57/43/1073875743.db2.gz NREJVHMKCUOYIM-CJNGLKHVSA-N 1 0 390.484 -0.016 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236220 1073875777 /nfs/dbraw/zinc/87/57/77/1073875777.db2.gz NREJVHMKCUOYIM-CZUORRHYSA-N 1 0 390.484 -0.016 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)CC2 ZINC000419236221 1073875556 /nfs/dbraw/zinc/87/55/56/1073875556.db2.gz NREJVHMKCUOYIM-XJKSGUPXSA-N 1 0 390.484 -0.016 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000419236543 1073874160 /nfs/dbraw/zinc/87/41/60/1073874160.db2.gz BDOLKHPMUPTASY-CMPLNLGQSA-N 1 0 394.453 -0.424 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000419236544 1073873755 /nfs/dbraw/zinc/87/37/55/1073873755.db2.gz BDOLKHPMUPTASY-JQWIXIFHSA-N 1 0 394.453 -0.424 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000419236545 1073874482 /nfs/dbraw/zinc/87/44/82/1073874482.db2.gz BDOLKHPMUPTASY-PWSUYJOCSA-N 1 0 394.453 -0.424 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000419236546 1073874132 /nfs/dbraw/zinc/87/41/32/1073874132.db2.gz BDOLKHPMUPTASY-ZYHUDNBSSA-N 1 0 394.453 -0.424 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC000419236818 1073875636 /nfs/dbraw/zinc/87/56/36/1073875636.db2.gz OGFFBDJQJFSBNY-CVEARBPZSA-N 1 0 388.468 -0.048 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000419236819 1073875731 /nfs/dbraw/zinc/87/57/31/1073875731.db2.gz OGFFBDJQJFSBNY-HOTGVXAUSA-N 1 0 388.468 -0.048 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC000419236820 1073875267 /nfs/dbraw/zinc/87/52/67/1073875267.db2.gz OGFFBDJQJFSBNY-HZPDHXFCSA-N 1 0 388.468 -0.048 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000419236821 1073875522 /nfs/dbraw/zinc/87/55/22/1073875522.db2.gz OGFFBDJQJFSBNY-JKSUJKDBSA-N 1 0 388.468 -0.048 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1=O ZINC000419236932 1073875422 /nfs/dbraw/zinc/87/54/22/1073875422.db2.gz BKRXLGOSRAAEAM-PWSUYJOCSA-N 1 0 394.453 -0.294 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1=O ZINC000419236933 1073875473 /nfs/dbraw/zinc/87/54/73/1073875473.db2.gz BKRXLGOSRAAEAM-ZYHUDNBSSA-N 1 0 394.453 -0.294 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419236994 1073875002 /nfs/dbraw/zinc/87/50/02/1073875002.db2.gz BRSRRIFZZGYYJQ-GFCCVEGCSA-N 1 0 396.469 -0.128 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419236995 1073875373 /nfs/dbraw/zinc/87/53/73/1073875373.db2.gz BRSRRIFZZGYYJQ-LBPRGKRZSA-N 1 0 396.469 -0.128 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1=O ZINC000419237630 1073875596 /nfs/dbraw/zinc/87/55/96/1073875596.db2.gz CKGNPHMTSPDGHJ-JTQLQIEISA-N 1 0 382.442 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C1=O ZINC000419237631 1073875996 /nfs/dbraw/zinc/87/59/96/1073875996.db2.gz CKGNPHMTSPDGHJ-SNVBAGLBSA-N 1 0 382.442 -0.390 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2 ZINC000419237899 1073876401 /nfs/dbraw/zinc/87/64/01/1073876401.db2.gz PFLZYUJDGXOELO-CYBMUJFWSA-N 1 0 378.473 -0.016 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2 ZINC000419237901 1073876608 /nfs/dbraw/zinc/87/66/08/1073876608.db2.gz PFLZYUJDGXOELO-ZDUSSCGKSA-N 1 0 378.473 -0.016 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1=O ZINC000419239111 1073877626 /nfs/dbraw/zinc/87/76/26/1073877626.db2.gz DWRXBBNDDQOUST-GXSJLCMTSA-N 1 0 380.426 -0.684 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000419239115 1073877583 /nfs/dbraw/zinc/87/75/83/1073877583.db2.gz DWRXBBNDDQOUST-KOLCDFICSA-N 1 0 380.426 -0.684 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000419239117 1073878020 /nfs/dbraw/zinc/87/80/20/1073878020.db2.gz DWRXBBNDDQOUST-MWLCHTKSSA-N 1 0 380.426 -0.684 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1=O ZINC000419239119 1073877979 /nfs/dbraw/zinc/87/79/79/1073877979.db2.gz DWRXBBNDDQOUST-ONGXEEELSA-N 1 0 380.426 -0.684 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000419239614 1073877223 /nfs/dbraw/zinc/87/72/23/1073877223.db2.gz NZKJBVBWOMZITF-HNNXBMFYSA-N 1 0 386.456 -0.203 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000419239615 1073878001 /nfs/dbraw/zinc/87/80/01/1073878001.db2.gz NZKJBVBWOMZITF-OAHLLOKOSA-N 1 0 386.456 -0.203 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000419241011 1073878931 /nfs/dbraw/zinc/87/89/31/1073878931.db2.gz RNIPWBDUWSKQDG-HNNXBMFYSA-N 1 0 376.457 -0.344 20 0 GBADRO COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000419241012 1073879265 /nfs/dbraw/zinc/87/92/65/1073879265.db2.gz RNIPWBDUWSKQDG-OAHLLOKOSA-N 1 0 376.457 -0.344 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419241826 1073879185 /nfs/dbraw/zinc/87/91/85/1073879185.db2.gz HKOIHMONFLSTJB-LLVKDONJSA-N 1 0 382.442 -0.518 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419241854 1073879233 /nfs/dbraw/zinc/87/92/33/1073879233.db2.gz HKOIHMONFLSTJB-NSHDSACASA-N 1 0 382.442 -0.518 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1=O ZINC000419242236 1073879103 /nfs/dbraw/zinc/87/91/03/1073879103.db2.gz HOOPCDZDVRPUDC-NEPJUHHUSA-N 1 0 396.469 -0.144 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1=O ZINC000419242240 1073878673 /nfs/dbraw/zinc/87/86/73/1073878673.db2.gz HOOPCDZDVRPUDC-NWDGAFQWSA-N 1 0 396.469 -0.144 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1=O ZINC000419242246 1073878432 /nfs/dbraw/zinc/87/84/32/1073878432.db2.gz HOOPCDZDVRPUDC-RYUDHWBXSA-N 1 0 396.469 -0.144 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1=O ZINC000419242249 1073879241 /nfs/dbraw/zinc/87/92/41/1073879241.db2.gz HOOPCDZDVRPUDC-VXGBXAGGSA-N 1 0 396.469 -0.144 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000419244730 1073880518 /nfs/dbraw/zinc/88/05/18/1073880518.db2.gz VMLAWWCDZMIBKR-UHFFFAOYSA-N 1 0 378.473 -0.096 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419244916 1073880995 /nfs/dbraw/zinc/88/09/95/1073880995.db2.gz KRWYSQBEHZQFEW-LLVKDONJSA-N 1 0 382.442 -0.518 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419244917 1073880905 /nfs/dbraw/zinc/88/09/05/1073880905.db2.gz KRWYSQBEHZQFEW-NSHDSACASA-N 1 0 382.442 -0.518 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419246014 1073880745 /nfs/dbraw/zinc/88/07/45/1073880745.db2.gz LZYKYHXBXTWENE-FPCVCCKLSA-N 1 0 390.484 -0.517 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419246016 1073881306 /nfs/dbraw/zinc/88/13/06/1073881306.db2.gz LZYKYHXBXTWENE-QXSJWSMHSA-N 1 0 390.484 -0.517 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419246019 1073880802 /nfs/dbraw/zinc/88/08/02/1073880802.db2.gz LZYKYHXBXTWENE-UGUYLWEFSA-N 1 0 390.484 -0.517 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419246021 1073880921 /nfs/dbraw/zinc/88/09/21/1073880921.db2.gz LZYKYHXBXTWENE-WCVJEAGWSA-N 1 0 390.484 -0.517 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1=O ZINC000419246601 1073879462 /nfs/dbraw/zinc/87/94/62/1073879462.db2.gz MOOXFVALLLCSFF-CMPLNLGQSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1=O ZINC000419246602 1073879477 /nfs/dbraw/zinc/87/94/77/1073879477.db2.gz MOOXFVALLLCSFF-JQWIXIFHSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1=O ZINC000419246603 1073879784 /nfs/dbraw/zinc/87/97/84/1073879784.db2.gz MOOXFVALLLCSFF-PWSUYJOCSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1=O ZINC000419246604 1073880170 /nfs/dbraw/zinc/88/01/70/1073880170.db2.gz MOOXFVALLLCSFF-ZYHUDNBSSA-N 1 0 394.453 -0.376 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)n1 ZINC000419247036 1073881153 /nfs/dbraw/zinc/88/11/53/1073881153.db2.gz MULTVJNUXARXTI-HNNXBMFYSA-N 1 0 392.504 -0.079 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)n1 ZINC000419247038 1073880729 /nfs/dbraw/zinc/88/07/29/1073880729.db2.gz MULTVJNUXARXTI-OAHLLOKOSA-N 1 0 392.504 -0.079 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1=O ZINC000419247073 1073882005 /nfs/dbraw/zinc/88/20/05/1073882005.db2.gz MVNSSWUPRSJFKK-CMPLNLGQSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1=O ZINC000419247074 1073882135 /nfs/dbraw/zinc/88/21/35/1073882135.db2.gz MVNSSWUPRSJFKK-JQWIXIFHSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1=O ZINC000419247075 1073881839 /nfs/dbraw/zinc/88/18/39/1073881839.db2.gz MVNSSWUPRSJFKK-PWSUYJOCSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1=O ZINC000419247076 1073882231 /nfs/dbraw/zinc/88/22/31/1073882231.db2.gz MVNSSWUPRSJFKK-ZYHUDNBSSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1=O ZINC000419247084 1073881787 /nfs/dbraw/zinc/88/17/87/1073881787.db2.gz MWJWQBVSSJTWPE-NEPJUHHUSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1=O ZINC000419247085 1073881754 /nfs/dbraw/zinc/88/17/54/1073881754.db2.gz MWJWQBVSSJTWPE-NWDGAFQWSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1=O ZINC000419247086 1073882098 /nfs/dbraw/zinc/88/20/98/1073882098.db2.gz MWJWQBVSSJTWPE-RYUDHWBXSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1=O ZINC000419247087 1073882187 /nfs/dbraw/zinc/88/21/87/1073882187.db2.gz MWJWQBVSSJTWPE-VXGBXAGGSA-N 1 0 394.453 -0.390 20 0 GBADRO COCCC1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCC1 ZINC000419247778 1073882621 /nfs/dbraw/zinc/88/26/21/1073882621.db2.gz CFWAPDQAYRGMBN-HNNXBMFYSA-N 1 0 380.489 -0.268 20 0 GBADRO COCCC1(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCC1 ZINC000419247779 1073883237 /nfs/dbraw/zinc/88/32/37/1073883237.db2.gz CFWAPDQAYRGMBN-OAHLLOKOSA-N 1 0 380.489 -0.268 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1=O ZINC000419249738 1073885298 /nfs/dbraw/zinc/88/52/98/1073885298.db2.gz PLRWEEFWKVYRRX-CMPLNLGQSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1=O ZINC000419249739 1073885012 /nfs/dbraw/zinc/88/50/12/1073885012.db2.gz PLRWEEFWKVYRRX-JQWIXIFHSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1=O ZINC000419249740 1073884989 /nfs/dbraw/zinc/88/49/89/1073884989.db2.gz PLRWEEFWKVYRRX-PWSUYJOCSA-N 1 0 394.453 -0.424 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1=O ZINC000419249741 1073884755 /nfs/dbraw/zinc/88/47/55/1073884755.db2.gz PLRWEEFWKVYRRX-ZYHUDNBSSA-N 1 0 394.453 -0.424 20 0 GBADRO O=C(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000419251525 1073883802 /nfs/dbraw/zinc/88/38/02/1073883802.db2.gz AYDWNXVIUCZLIN-WBVHZDCISA-N 1 0 385.468 -0.728 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419251763 1073886574 /nfs/dbraw/zinc/88/65/74/1073886574.db2.gz RNHLDPIZDFQMOQ-KKUMJFAQSA-N 1 0 393.488 -0.898 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000419251765 1073886630 /nfs/dbraw/zinc/88/66/30/1073886630.db2.gz RNHLDPIZDFQMOQ-RRFJBIMHSA-N 1 0 393.488 -0.898 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000419251766 1073886127 /nfs/dbraw/zinc/88/61/27/1073886127.db2.gz RNHLDPIZDFQMOQ-SOUVJXGZSA-N 1 0 393.488 -0.898 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419251769 1073886644 /nfs/dbraw/zinc/88/66/44/1073886644.db2.gz RNHLDPIZDFQMOQ-ZNMIVQPWSA-N 1 0 393.488 -0.898 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419251890 1073886163 /nfs/dbraw/zinc/88/61/63/1073886163.db2.gz RRQZETYXXVIRIC-GFCCVEGCSA-N 1 0 396.469 -0.176 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419251893 1073886060 /nfs/dbraw/zinc/88/60/60/1073886060.db2.gz RRQZETYXXVIRIC-LBPRGKRZSA-N 1 0 396.469 -0.176 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419251967 1073886234 /nfs/dbraw/zinc/88/62/34/1073886234.db2.gz RUOPHBUMHDRPRV-PWSUYJOCSA-N 1 0 396.469 -0.130 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419251970 1073885892 /nfs/dbraw/zinc/88/58/92/1073885892.db2.gz RUOPHBUMHDRPRV-ZYHUDNBSSA-N 1 0 396.469 -0.130 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419252004 1073885939 /nfs/dbraw/zinc/88/59/39/1073885939.db2.gz BQGFVPUOUTXAKL-OAHLLOKOSA-N 1 0 375.473 -0.434 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1=O ZINC000419252082 1073887073 /nfs/dbraw/zinc/88/70/73/1073887073.db2.gz SBQZQDGPEFPGAP-GXSJLCMTSA-N 1 0 382.442 -0.533 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1=O ZINC000419252085 1073887394 /nfs/dbraw/zinc/88/73/94/1073887394.db2.gz SBQZQDGPEFPGAP-KOLCDFICSA-N 1 0 382.442 -0.533 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C1=O ZINC000419252087 1073886930 /nfs/dbraw/zinc/88/69/30/1073886930.db2.gz SBQZQDGPEFPGAP-MWLCHTKSSA-N 1 0 382.442 -0.533 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C1=O ZINC000419252090 1073886892 /nfs/dbraw/zinc/88/68/92/1073886892.db2.gz SBQZQDGPEFPGAP-ONGXEEELSA-N 1 0 382.442 -0.533 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1=O ZINC000419252108 1073887308 /nfs/dbraw/zinc/88/73/08/1073887308.db2.gz SCRWIHXWCBKDHG-LLVKDONJSA-N 1 0 380.426 -0.812 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)C1=O ZINC000419252121 1073886585 /nfs/dbraw/zinc/88/65/85/1073886585.db2.gz SCRWIHXWCBKDHG-NSHDSACASA-N 1 0 380.426 -0.812 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419252310 1073885182 /nfs/dbraw/zinc/88/51/82/1073885182.db2.gz BXLPKBLLUXQTQP-CVEARBPZSA-N 1 0 387.484 -0.340 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1=O ZINC000419252311 1073885414 /nfs/dbraw/zinc/88/54/14/1073885414.db2.gz SIZBWLASGVNSGV-GXSJLCMTSA-N 1 0 382.442 -0.438 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419252313 1073884844 /nfs/dbraw/zinc/88/48/44/1073884844.db2.gz BXLPKBLLUXQTQP-HOTGVXAUSA-N 1 0 387.484 -0.340 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1=O ZINC000419252315 1073884794 /nfs/dbraw/zinc/88/47/94/1073884794.db2.gz SIZBWLASGVNSGV-KOLCDFICSA-N 1 0 382.442 -0.438 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000419252316 1073885500 /nfs/dbraw/zinc/88/55/00/1073885500.db2.gz BXLPKBLLUXQTQP-HZPDHXFCSA-N 1 0 387.484 -0.340 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C1=O ZINC000419252317 1073884672 /nfs/dbraw/zinc/88/46/72/1073884672.db2.gz SIZBWLASGVNSGV-MWLCHTKSSA-N 1 0 382.442 -0.438 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1=O ZINC000419252319 1073885172 /nfs/dbraw/zinc/88/51/72/1073885172.db2.gz SIZBWLASGVNSGV-ONGXEEELSA-N 1 0 382.442 -0.438 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419252320 1073885060 /nfs/dbraw/zinc/88/50/60/1073885060.db2.gz BXLPKBLLUXQTQP-JKSUJKDBSA-N 1 0 387.484 -0.340 20 0 GBADRO O=C(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419252655 1073885036 /nfs/dbraw/zinc/88/50/36/1073885036.db2.gz CCUPOJDAZWSWCI-INIZCTEOSA-N 1 0 387.484 -0.433 20 0 GBADRO O=C(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419252662 1073885156 /nfs/dbraw/zinc/88/51/56/1073885156.db2.gz CCUPOJDAZWSWCI-MRXNPFEDSA-N 1 0 387.484 -0.433 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419252824 1073886479 /nfs/dbraw/zinc/88/64/79/1073886479.db2.gz SWEFQICJSLLSCR-LLVKDONJSA-N 1 0 382.442 -0.566 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419252825 1073886459 /nfs/dbraw/zinc/88/64/59/1073886459.db2.gz SWEFQICJSLLSCR-NSHDSACASA-N 1 0 382.442 -0.566 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000419253242 1073887168 /nfs/dbraw/zinc/88/71/68/1073887168.db2.gz TYUFYIAJQXUIBB-CMPLNLGQSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1=O ZINC000419253244 1073886857 /nfs/dbraw/zinc/88/68/57/1073886857.db2.gz TYUFYIAJQXUIBB-JQWIXIFHSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000419253246 1073887102 /nfs/dbraw/zinc/88/71/02/1073887102.db2.gz TYUFYIAJQXUIBB-PWSUYJOCSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1=O ZINC000419253247 1073886967 /nfs/dbraw/zinc/88/69/67/1073886967.db2.gz TYUFYIAJQXUIBB-ZYHUDNBSSA-N 1 0 394.453 -0.376 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419253419 1073887445 /nfs/dbraw/zinc/88/74/45/1073887445.db2.gz DKIOXIPQIHLJEU-DLBZAZTESA-N 1 0 399.495 -0.481 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419253420 1073887057 /nfs/dbraw/zinc/88/70/57/1073887057.db2.gz DKIOXIPQIHLJEU-IAGOWNOFSA-N 1 0 399.495 -0.481 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419253421 1073887264 /nfs/dbraw/zinc/88/72/64/1073887264.db2.gz DKIOXIPQIHLJEU-IRXDYDNUSA-N 1 0 399.495 -0.481 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419253422 1073887210 /nfs/dbraw/zinc/88/72/10/1073887210.db2.gz DKIOXIPQIHLJEU-SJORKVTESA-N 1 0 399.495 -0.481 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419253898 1073886989 /nfs/dbraw/zinc/88/69/89/1073886989.db2.gz FEWUEZLMQFPICE-INIZCTEOSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419253899 1073887198 /nfs/dbraw/zinc/88/71/98/1073887198.db2.gz FEWUEZLMQFPICE-MRXNPFEDSA-N 1 0 387.484 -0.290 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255006 1073887744 /nfs/dbraw/zinc/88/77/44/1073887744.db2.gz GCSRPMMIDAVPSY-FQEVSTJZSA-N 1 0 387.484 -0.351 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255007 1073887932 /nfs/dbraw/zinc/88/79/32/1073887932.db2.gz GCSRPMMIDAVPSY-HXUWFJFHSA-N 1 0 387.484 -0.351 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419255015 1073887736 /nfs/dbraw/zinc/88/77/36/1073887736.db2.gz GEUKQYMREXTJCZ-UHFFFAOYSA-N 1 0 375.473 -0.433 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1=O ZINC000419255305 1073888472 /nfs/dbraw/zinc/88/84/72/1073888472.db2.gz WHNNBKCPUWCBRU-NEPJUHHUSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1=O ZINC000419255306 1073887787 /nfs/dbraw/zinc/88/77/87/1073887787.db2.gz WHNNBKCPUWCBRU-NWDGAFQWSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1=O ZINC000419255307 1073887779 /nfs/dbraw/zinc/88/77/79/1073887779.db2.gz WHNNBKCPUWCBRU-RYUDHWBXSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1=O ZINC000419255308 1073887825 /nfs/dbraw/zinc/88/78/25/1073887825.db2.gz WHNNBKCPUWCBRU-VXGBXAGGSA-N 1 0 394.453 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1=O ZINC000419255749 1073887156 /nfs/dbraw/zinc/88/71/56/1073887156.db2.gz WPKGQDGRISSMRE-GXSJLCMTSA-N 1 0 382.442 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1=O ZINC000419255750 1073887337 /nfs/dbraw/zinc/88/73/37/1073887337.db2.gz WPKGQDGRISSMRE-KOLCDFICSA-N 1 0 382.442 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C1=O ZINC000419255751 1073886910 /nfs/dbraw/zinc/88/69/10/1073886910.db2.gz WPKGQDGRISSMRE-MWLCHTKSSA-N 1 0 382.442 -0.390 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C1=O ZINC000419255752 1073887083 /nfs/dbraw/zinc/88/70/83/1073887083.db2.gz WPKGQDGRISSMRE-ONGXEEELSA-N 1 0 382.442 -0.390 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255854 1073889154 /nfs/dbraw/zinc/88/91/54/1073889154.db2.gz GYKJEZUXEJFJOS-CVEARBPZSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255855 1073888966 /nfs/dbraw/zinc/88/89/66/1073888966.db2.gz GYKJEZUXEJFJOS-HOTGVXAUSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255856 1073889274 /nfs/dbraw/zinc/88/92/74/1073889274.db2.gz GYKJEZUXEJFJOS-HZPDHXFCSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419255857 1073889104 /nfs/dbraw/zinc/88/91/04/1073889104.db2.gz GYKJEZUXEJFJOS-JKSUJKDBSA-N 1 0 387.484 -0.353 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1=O ZINC000419256561 1073887411 /nfs/dbraw/zinc/88/74/11/1073887411.db2.gz XOYQZXAYZKLSPK-GFCCVEGCSA-N 1 0 394.453 -0.422 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CCC[NH2+]CC2)C1=O ZINC000419256562 1073887231 /nfs/dbraw/zinc/88/72/31/1073887231.db2.gz XOYQZXAYZKLSPK-LBPRGKRZSA-N 1 0 394.453 -0.422 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419256823 1073888013 /nfs/dbraw/zinc/88/80/13/1073888013.db2.gz HYUJHLOUTGHJEK-UHFFFAOYSA-N 1 0 389.500 -0.105 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCCO1 ZINC000419256978 1073888205 /nfs/dbraw/zinc/88/82/05/1073888205.db2.gz LTJBSGLSQLFVPP-HRCADAONSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCCO1 ZINC000419256979 1073888434 /nfs/dbraw/zinc/88/84/34/1073888434.db2.gz LTJBSGLSQLFVPP-JYJNAYRXSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCCO1 ZINC000419256980 1073888356 /nfs/dbraw/zinc/88/83/56/1073888356.db2.gz LTJBSGLSQLFVPP-OWCLPIDISA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCCO1 ZINC000419256981 1073887806 /nfs/dbraw/zinc/88/78/06/1073887806.db2.gz LTJBSGLSQLFVPP-PMPSAXMXSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000419257099 1073888814 /nfs/dbraw/zinc/88/88/14/1073888814.db2.gz IICRNHHOHNCFTK-DOTOQJQBSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000419257100 1073889016 /nfs/dbraw/zinc/88/90/16/1073889016.db2.gz IICRNHHOHNCFTK-NVXWUHKLSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000419257101 1073889141 /nfs/dbraw/zinc/88/91/41/1073889141.db2.gz IICRNHHOHNCFTK-RDJZCZTQSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000419257102 1073889096 /nfs/dbraw/zinc/88/90/96/1073889096.db2.gz IICRNHHOHNCFTK-WBVHZDCISA-N 1 0 387.484 -0.353 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419257510 1073889204 /nfs/dbraw/zinc/88/92/04/1073889204.db2.gz ISMADJGMZDAINB-KRWDZBQOSA-N 1 0 387.484 -0.338 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419257511 1073889249 /nfs/dbraw/zinc/88/92/49/1073889249.db2.gz ISMADJGMZDAINB-QGZVFWFLSA-N 1 0 387.484 -0.338 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419257684 1073889178 /nfs/dbraw/zinc/88/91/78/1073889178.db2.gz YRGZDTXVWRIIOC-CMPLNLGQSA-N 1 0 396.469 -0.272 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419257685 1073888947 /nfs/dbraw/zinc/88/89/47/1073888947.db2.gz YRGZDTXVWRIIOC-JQWIXIFHSA-N 1 0 396.469 -0.272 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419257686 1073888958 /nfs/dbraw/zinc/88/89/58/1073888958.db2.gz YRGZDTXVWRIIOC-PWSUYJOCSA-N 1 0 396.469 -0.272 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000419257687 1073888763 /nfs/dbraw/zinc/88/87/63/1073888763.db2.gz YRGZDTXVWRIIOC-ZYHUDNBSSA-N 1 0 396.469 -0.272 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419258577 1073887952 /nfs/dbraw/zinc/88/79/52/1073887952.db2.gz JPCRZSPTGXWRRO-CVEARBPZSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419258578 1073887872 /nfs/dbraw/zinc/88/78/72/1073887872.db2.gz JPCRZSPTGXWRRO-HOTGVXAUSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419258579 1073887943 /nfs/dbraw/zinc/88/79/43/1073887943.db2.gz JPCRZSPTGXWRRO-HZPDHXFCSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419258580 1073887918 /nfs/dbraw/zinc/88/79/18/1073887918.db2.gz JPCRZSPTGXWRRO-JKSUJKDBSA-N 1 0 387.484 -0.353 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1=O ZINC000419258782 1073889222 /nfs/dbraw/zinc/88/92/22/1073889222.db2.gz ZYLJTPXBGVGMDM-LLVKDONJSA-N 1 0 394.453 -0.246 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCC2)C1=O ZINC000419258783 1073888818 /nfs/dbraw/zinc/88/88/18/1073888818.db2.gz ZYLJTPXBGVGMDM-NSHDSACASA-N 1 0 394.453 -0.246 20 0 GBADRO O=C(CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2)CC1 ZINC000419258964 1073888866 /nfs/dbraw/zinc/88/88/66/1073888866.db2.gz KCCQBMJYGPULBW-NRFANRHFSA-N 1 0 399.495 -0.337 20 0 GBADRO O=C(CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2)CC1 ZINC000419258965 1073888917 /nfs/dbraw/zinc/88/89/17/1073888917.db2.gz KCCQBMJYGPULBW-OAQYLSRUSA-N 1 0 399.495 -0.337 20 0 GBADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419259028 1072341154 /nfs/dbraw/zinc/34/11/54/1072341154.db2.gz KKXXNKXCFXHDGD-CVEARBPZSA-N 1 0 387.484 -0.163 20 0 GBADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419259029 1072341621 /nfs/dbraw/zinc/34/16/21/1072341621.db2.gz KKXXNKXCFXHDGD-HOTGVXAUSA-N 1 0 387.484 -0.163 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419259030 1072341205 /nfs/dbraw/zinc/34/12/05/1072341205.db2.gz KKXXNKXCFXHDGD-HZPDHXFCSA-N 1 0 387.484 -0.163 20 0 GBADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419259031 1072340182 /nfs/dbraw/zinc/34/01/82/1072340182.db2.gz KKXXNKXCFXHDGD-JKSUJKDBSA-N 1 0 387.484 -0.163 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419259059 1073888833 /nfs/dbraw/zinc/88/88/33/1073888833.db2.gz KPXNPGXXKAAMPE-DOTOQJQBSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419259060 1073889191 /nfs/dbraw/zinc/88/91/91/1073889191.db2.gz KPXNPGXXKAAMPE-NVXWUHKLSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419259061 1073889168 /nfs/dbraw/zinc/88/91/68/1073889168.db2.gz KPXNPGXXKAAMPE-RDJZCZTQSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419259062 1073888922 /nfs/dbraw/zinc/88/89/22/1073888922.db2.gz KPXNPGXXKAAMPE-WBVHZDCISA-N 1 0 387.484 -0.434 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000419259526 1073889001 /nfs/dbraw/zinc/88/90/01/1073889001.db2.gz LWSHMZGJOLCZFR-UHFFFAOYSA-N 1 0 387.484 -0.351 20 0 GBADRO COCCC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419259850 1073890125 /nfs/dbraw/zinc/89/01/25/1073890125.db2.gz PQJSZLGLMRWPDU-INIZCTEOSA-N 1 0 394.516 -0.020 20 0 GBADRO COCCC1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419259951 1073891166 /nfs/dbraw/zinc/89/11/66/1073891166.db2.gz PQJSZLGLMRWPDU-MRXNPFEDSA-N 1 0 394.516 -0.020 20 0 GBADRO CN(C(=O)C(=O)NCCOc1ccc(Br)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419260264 530348934 /nfs/dbraw/zinc/34/89/34/530348934.db2.gz NMTAQDHIVANZSM-STQMWFEESA-N 1 0 386.246 -0.265 20 0 GBADRO O=C(NCCOc1ccc(Br)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419260270 530348748 /nfs/dbraw/zinc/34/87/48/530348748.db2.gz NNPQVDGYRBZFHM-UHFFFAOYSA-N 1 0 399.289 -0.035 20 0 GBADRO O=C(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000419260579 1073888993 /nfs/dbraw/zinc/88/89/93/1073888993.db2.gz OLEKJHHQVJWYIG-MRXNPFEDSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2)CC1 ZINC000419260800 1073889844 /nfs/dbraw/zinc/88/98/44/1073889844.db2.gz PCJSPDBSXSKNNS-SJORKVTESA-N 1 0 399.495 -0.196 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419260849 1073890118 /nfs/dbraw/zinc/89/01/18/1073890118.db2.gz PISMWCLYVWJPEX-UHFFFAOYSA-N 1 0 375.473 -0.481 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261025 1073888888 /nfs/dbraw/zinc/88/88/88/1073888888.db2.gz PJWVKRAAJCDMQU-HNNXBMFYSA-N 1 0 375.473 -0.577 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261026 1073888781 /nfs/dbraw/zinc/88/87/81/1073888781.db2.gz PJWVKRAAJCDMQU-OAHLLOKOSA-N 1 0 375.473 -0.577 20 0 GBADRO O=C(CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000419261035 1073889354 /nfs/dbraw/zinc/88/93/54/1073889354.db2.gz PMGYDQIXCAMPJX-UHFFFAOYSA-N 1 0 399.495 -0.123 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419261333 1073889043 /nfs/dbraw/zinc/88/90/43/1073889043.db2.gz PWHRQSLTHZUFON-INIZCTEOSA-N 1 0 387.484 -0.433 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419261334 1073889234 /nfs/dbraw/zinc/88/92/34/1073889234.db2.gz PWHRQSLTHZUFON-MRXNPFEDSA-N 1 0 387.484 -0.433 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419261405 1073889289 /nfs/dbraw/zinc/88/92/89/1073889289.db2.gz QHSRFRMDJAJINY-HOTGVXAUSA-N 1 0 387.484 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419261406 1073889113 /nfs/dbraw/zinc/88/91/13/1073889113.db2.gz QHSRFRMDJAJINY-HZPDHXFCSA-N 1 0 387.484 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419261407 1073888796 /nfs/dbraw/zinc/88/87/96/1073888796.db2.gz QHSRFRMDJAJINY-IYBDPMFKSA-N 1 0 387.484 -0.340 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2)CC1 ZINC000419261447 1073889125 /nfs/dbraw/zinc/88/91/25/1073889125.db2.gz QLETXGBZFROTPW-CALCHBBNSA-N 1 0 399.495 -0.196 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261449 1073888984 /nfs/dbraw/zinc/88/89/84/1073888984.db2.gz QMFVTWFBCVOIPG-INIZCTEOSA-N 1 0 375.473 -0.449 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261450 1073889071 /nfs/dbraw/zinc/88/90/71/1073889071.db2.gz QMFVTWFBCVOIPG-MRXNPFEDSA-N 1 0 375.473 -0.449 20 0 GBADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261938 1073890510 /nfs/dbraw/zinc/89/05/10/1073890510.db2.gz RNKXHJOWWLJMGY-DOTOQJQBSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261939 1073890425 /nfs/dbraw/zinc/89/04/25/1073890425.db2.gz RNKXHJOWWLJMGY-NVXWUHKLSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261940 1073890096 /nfs/dbraw/zinc/89/00/96/1073890096.db2.gz RNKXHJOWWLJMGY-RDJZCZTQSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419261941 1073890402 /nfs/dbraw/zinc/89/04/02/1073890402.db2.gz RNKXHJOWWLJMGY-WBVHZDCISA-N 1 0 387.484 -0.434 20 0 GBADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419262131 1073890145 /nfs/dbraw/zinc/89/01/45/1073890145.db2.gz RYMJVGCJMWMCGI-CVEARBPZSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419262132 1073889995 /nfs/dbraw/zinc/88/99/95/1073889995.db2.gz RYMJVGCJMWMCGI-HOTGVXAUSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419262133 1073890411 /nfs/dbraw/zinc/89/04/11/1073890411.db2.gz RYMJVGCJMWMCGI-HZPDHXFCSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419262134 1073889958 /nfs/dbraw/zinc/88/99/58/1073889958.db2.gz RYMJVGCJMWMCGI-JKSUJKDBSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419262974 1073890258 /nfs/dbraw/zinc/89/02/58/1073890258.db2.gz USWUFNWJWTWIRZ-KRWDZBQOSA-N 1 0 387.484 -0.209 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419262975 1073890150 /nfs/dbraw/zinc/89/01/50/1073890150.db2.gz USWUFNWJWTWIRZ-QGZVFWFLSA-N 1 0 387.484 -0.209 20 0 GBADRO O=C(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419263164 1073890323 /nfs/dbraw/zinc/89/03/23/1073890323.db2.gz VCJMTQFIQNNXHY-IYBDPMFKSA-N 1 0 385.468 -0.871 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419264350 1073890276 /nfs/dbraw/zinc/89/02/76/1073890276.db2.gz XMOGJIKMGBTKLA-CVEARBPZSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419264351 1073890067 /nfs/dbraw/zinc/89/00/67/1073890067.db2.gz XMOGJIKMGBTKLA-HOTGVXAUSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419264353 1073890268 /nfs/dbraw/zinc/89/02/68/1073890268.db2.gz XMOGJIKMGBTKLA-HZPDHXFCSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419264355 1073890178 /nfs/dbraw/zinc/89/01/78/1073890178.db2.gz XMOGJIKMGBTKLA-JKSUJKDBSA-N 1 0 387.484 -0.292 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419265580 1073889764 /nfs/dbraw/zinc/88/97/64/1073889764.db2.gz ZEVFLHQHRPZKCB-UHFFFAOYSA-N 1 0 387.484 -0.338 20 0 GBADRO O=C(CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCN(c2ccccc2)CC1 ZINC000419265889 1073890805 /nfs/dbraw/zinc/89/08/05/1073890805.db2.gz ZTCOWHXQLGJWAY-UHFFFAOYSA-N 1 0 387.484 -0.290 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 ZINC000419266247 1073890974 /nfs/dbraw/zinc/89/09/74/1073890974.db2.gz GAOMALLJISRYFZ-LLVKDONJSA-N 1 0 376.335 -0.175 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccnc2OCC(F)(F)F)CCO1 ZINC000419266248 1073891158 /nfs/dbraw/zinc/89/11/58/1073891158.db2.gz GAOMALLJISRYFZ-NSHDSACASA-N 1 0 376.335 -0.175 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419267533 1073891287 /nfs/dbraw/zinc/89/12/87/1073891287.db2.gz JQGISJWMJKJYOX-GFCCVEGCSA-N 1 0 389.378 -0.341 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419267534 1073891226 /nfs/dbraw/zinc/89/12/26/1073891226.db2.gz JQGISJWMJKJYOX-LBPRGKRZSA-N 1 0 389.378 -0.341 20 0 GBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419267880 1073891098 /nfs/dbraw/zinc/89/10/98/1073891098.db2.gz KTXNAJZIYPDGAN-HNNXBMFYSA-N 1 0 391.472 -0.057 20 0 GBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419267881 1073890928 /nfs/dbraw/zinc/89/09/28/1073890928.db2.gz KTXNAJZIYPDGAN-OAHLLOKOSA-N 1 0 391.472 -0.057 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1 ZINC000419268536 1073891493 /nfs/dbraw/zinc/89/14/93/1073891493.db2.gz MWYWJNFQHWKCIW-LLVKDONJSA-N 1 0 376.335 -0.175 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1 ZINC000419268537 1073890908 /nfs/dbraw/zinc/89/09/08/1073890908.db2.gz MWYWJNFQHWKCIW-NSHDSACASA-N 1 0 376.335 -0.175 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419268873 1073891994 /nfs/dbraw/zinc/89/19/94/1073891994.db2.gz NRSWEWBKDTXUDJ-AWEZNQCLSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419268874 1073892018 /nfs/dbraw/zinc/89/20/18/1073892018.db2.gz NRSWEWBKDTXUDJ-CQSZACIVSA-N 1 0 377.445 -0.448 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419269424 1073892372 /nfs/dbraw/zinc/89/23/72/1073892372.db2.gz ONBKGLMACDYIGJ-HNNXBMFYSA-N 1 0 389.456 -0.623 20 0 GBADRO COc1ncccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419269425 1073892538 /nfs/dbraw/zinc/89/25/38/1073892538.db2.gz ONBKGLMACDYIGJ-OAHLLOKOSA-N 1 0 389.456 -0.623 20 0 GBADRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419269568 1073892258 /nfs/dbraw/zinc/89/22/58/1073892258.db2.gz MHDJAZDTXWXJKE-JYJNAYRXSA-N 1 0 382.505 -0.133 20 0 GBADRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419269569 1073892550 /nfs/dbraw/zinc/89/25/50/1073892550.db2.gz MHDJAZDTXWXJKE-OAGGEKHMSA-N 1 0 382.505 -0.133 20 0 GBADRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419269570 1073892030 /nfs/dbraw/zinc/89/20/30/1073892030.db2.gz MHDJAZDTXWXJKE-PMPSAXMXSA-N 1 0 382.505 -0.133 20 0 GBADRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419269571 1073892430 /nfs/dbraw/zinc/89/24/30/1073892430.db2.gz MHDJAZDTXWXJKE-XHSDSOJGSA-N 1 0 382.505 -0.133 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1O ZINC000419270770 1073892056 /nfs/dbraw/zinc/89/20/56/1073892056.db2.gz DLMGVFRZUHTCJD-AWEZNQCLSA-N 1 0 392.456 -0.137 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1O ZINC000419270771 1073892602 /nfs/dbraw/zinc/89/26/02/1073892602.db2.gz DLMGVFRZUHTCJD-CQSZACIVSA-N 1 0 392.456 -0.137 20 0 GBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419271316 1073892484 /nfs/dbraw/zinc/89/24/84/1073892484.db2.gz SKYUHILTDFGESF-AWEZNQCLSA-N 1 0 377.445 -0.590 20 0 GBADRO CCOc1ncccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419271317 1073892352 /nfs/dbraw/zinc/89/23/52/1073892352.db2.gz SKYUHILTDFGESF-CQSZACIVSA-N 1 0 377.445 -0.590 20 0 GBADRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419272433 1073892184 /nfs/dbraw/zinc/89/21/84/1073892184.db2.gz PONPOAMBCACDFE-BBWFWOEESA-N 1 0 394.516 -0.166 20 0 GBADRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419272434 1073892285 /nfs/dbraw/zinc/89/22/85/1073892285.db2.gz PONPOAMBCACDFE-IKGGRYGDSA-N 1 0 394.516 -0.166 20 0 GBADRO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419272435 1073892156 /nfs/dbraw/zinc/89/21/56/1073892156.db2.gz PONPOAMBCACDFE-ULQDDVLXSA-N 1 0 394.516 -0.166 20 0 GBADRO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419272436 1073892066 /nfs/dbraw/zinc/89/20/66/1073892066.db2.gz PONPOAMBCACDFE-ZACQAIPSSA-N 1 0 394.516 -0.166 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 ZINC000419281050 1073894598 /nfs/dbraw/zinc/89/45/98/1073894598.db2.gz XNVUJDKSHJVZQG-INMHGKMJSA-N 1 0 390.488 -0.061 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 ZINC000419281051 1073894403 /nfs/dbraw/zinc/89/44/03/1073894403.db2.gz XNVUJDKSHJVZQG-UXLLHSPISA-N 1 0 390.488 -0.061 20 0 GBADRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419290300 1073896921 /nfs/dbraw/zinc/89/69/21/1073896921.db2.gz VHLQSBJHJPUCFP-AWEZNQCLSA-N 1 0 376.457 -0.126 20 0 GBADRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419290301 1073896685 /nfs/dbraw/zinc/89/66/85/1073896685.db2.gz VHLQSBJHJPUCFP-CQSZACIVSA-N 1 0 376.457 -0.126 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000419291259 1073896451 /nfs/dbraw/zinc/89/64/51/1073896451.db2.gz WSYMUXPSWCECHY-CYBMUJFWSA-N 1 0 382.411 -0.063 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000419291261 1073896802 /nfs/dbraw/zinc/89/68/02/1073896802.db2.gz WSYMUXPSWCECHY-ZDUSSCGKSA-N 1 0 382.411 -0.063 20 0 GBADRO CCc1nc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000419292160 1073897013 /nfs/dbraw/zinc/89/70/13/1073897013.db2.gz XXJNWSROHFZCCK-CYBMUJFWSA-N 1 0 395.529 -0.014 20 0 GBADRO CCc1nc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000419292161 1073896838 /nfs/dbraw/zinc/89/68/38/1073896838.db2.gz XXJNWSROHFZCCK-ZDUSSCGKSA-N 1 0 395.529 -0.014 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419294194 1073898309 /nfs/dbraw/zinc/89/83/09/1073898309.db2.gz AQWIAFAPVUHIEU-INIZCTEOSA-N 1 0 376.457 -0.020 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419294195 1073897650 /nfs/dbraw/zinc/89/76/50/1073897650.db2.gz AQWIAFAPVUHIEU-MRXNPFEDSA-N 1 0 376.457 -0.020 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc(O)c1 ZINC000419296693 1073898267 /nfs/dbraw/zinc/89/82/67/1073898267.db2.gz FCPZBNPJVZBZLJ-HNNXBMFYSA-N 1 0 376.457 -0.103 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc(O)c1 ZINC000419296694 1073897957 /nfs/dbraw/zinc/89/79/57/1073897957.db2.gz FCPZBNPJVZBZLJ-OAHLLOKOSA-N 1 0 376.457 -0.103 20 0 GBADRO O=C(NCCc1cccc(O)c1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419297557 1073897788 /nfs/dbraw/zinc/89/77/88/1073897788.db2.gz GSGKGCSTXZVPRA-INIZCTEOSA-N 1 0 388.468 -0.279 20 0 GBADRO O=C(NCCc1cccc(O)c1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419297558 1073897684 /nfs/dbraw/zinc/89/76/84/1073897684.db2.gz GSGKGCSTXZVPRA-MRXNPFEDSA-N 1 0 388.468 -0.279 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419300531 1073900508 /nfs/dbraw/zinc/90/05/08/1073900508.db2.gz MBEUKRXAZUYVFK-LSDHHAIUSA-N 1 0 382.486 -0.616 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419300674 1073898951 /nfs/dbraw/zinc/89/89/51/1073898951.db2.gz JQIKODSPNQVYEP-BBRMVZONSA-N 1 0 376.457 -0.116 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419300675 1073899204 /nfs/dbraw/zinc/89/92/04/1073899204.db2.gz JQIKODSPNQVYEP-CJNGLKHVSA-N 1 0 376.457 -0.116 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419300676 1073899291 /nfs/dbraw/zinc/89/92/91/1073899291.db2.gz JQIKODSPNQVYEP-CZUORRHYSA-N 1 0 376.457 -0.116 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000419300677 1073898840 /nfs/dbraw/zinc/89/88/40/1073898840.db2.gz JQIKODSPNQVYEP-XJKSGUPXSA-N 1 0 376.457 -0.116 20 0 GBADRO CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301230 1073898919 /nfs/dbraw/zinc/89/89/19/1073898919.db2.gz KPFVKWAXDHJZCW-CKEIUWERSA-N 1 0 396.438 -0.027 20 0 GBADRO CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000419301231 1073898699 /nfs/dbraw/zinc/89/86/99/1073898699.db2.gz KPFVKWAXDHJZCW-CPUCHLNUSA-N 1 0 396.438 -0.027 20 0 GBADRO CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301232 1073899538 /nfs/dbraw/zinc/89/95/38/1073899538.db2.gz KPFVKWAXDHJZCW-JKIFEVAISA-N 1 0 396.438 -0.027 20 0 GBADRO CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000419301233 1073898673 /nfs/dbraw/zinc/89/86/73/1073898673.db2.gz KPFVKWAXDHJZCW-KEYYUXOJSA-N 1 0 396.438 -0.027 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000419301548 1073898868 /nfs/dbraw/zinc/89/88/68/1073898868.db2.gz LEHCSSQRHQQCGK-BZSNNMDCSA-N 1 0 390.484 -0.296 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000419301549 1073898629 /nfs/dbraw/zinc/89/86/29/1073898629.db2.gz LEHCSSQRHQQCGK-FGTMMUONSA-N 1 0 390.484 -0.296 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000419301550 1073899412 /nfs/dbraw/zinc/89/94/12/1073899412.db2.gz LEHCSSQRHQQCGK-OKZBNKHCSA-N 1 0 390.484 -0.296 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000419301551 1073899445 /nfs/dbraw/zinc/89/94/45/1073899445.db2.gz LEHCSSQRHQQCGK-SQNIBIBYSA-N 1 0 390.484 -0.296 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000419301577 1073899176 /nfs/dbraw/zinc/89/91/76/1073899176.db2.gz NZSUNZYFMIMKAP-CVEARBPZSA-N 1 0 396.513 -0.369 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419301910 1073898655 /nfs/dbraw/zinc/89/86/55/1073898655.db2.gz PAAGSLIONZIUKR-UHFFFAOYSA-N 1 0 384.502 -0.192 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419301915 1073898853 /nfs/dbraw/zinc/89/88/53/1073898853.db2.gz PASWXNIGNFRTDY-CABCVRRESA-N 1 0 388.534 -0.189 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419301916 1073899197 /nfs/dbraw/zinc/89/91/97/1073899197.db2.gz PASWXNIGNFRTDY-GJZGRUSLSA-N 1 0 388.534 -0.189 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419301917 1073899059 /nfs/dbraw/zinc/89/90/59/1073899059.db2.gz PASWXNIGNFRTDY-HUUCEWRRSA-N 1 0 388.534 -0.189 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419301918 1073899114 /nfs/dbraw/zinc/89/91/14/1073899114.db2.gz PASWXNIGNFRTDY-LSDHHAIUSA-N 1 0 388.534 -0.189 20 0 GBADRO CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000419303189 1073900539 /nfs/dbraw/zinc/90/05/39/1073900539.db2.gz NSDWFLGBWLQOJP-UHFFFAOYSA-N 1 0 376.457 -0.170 20 0 GBADRO O=C(N[C@@H]1COc2ccccc21)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419303949 1073900498 /nfs/dbraw/zinc/90/04/98/1073900498.db2.gz ONZUJCMBSYWZQR-GDBMZVCRSA-N 1 0 386.452 -0.093 20 0 GBADRO O=C(N[C@@H]1COc2ccccc21)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419303950 1073899816 /nfs/dbraw/zinc/89/98/16/1073899816.db2.gz ONZUJCMBSYWZQR-GOEBONIOSA-N 1 0 386.452 -0.093 20 0 GBADRO O=C(N[C@H]1COc2ccccc21)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419303951 1073900204 /nfs/dbraw/zinc/90/02/04/1073900204.db2.gz ONZUJCMBSYWZQR-HOCLYGCPSA-N 1 0 386.452 -0.093 20 0 GBADRO O=C(N[C@H]1COc2ccccc21)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419303952 1073899971 /nfs/dbraw/zinc/89/99/71/1073899971.db2.gz ONZUJCMBSYWZQR-ZBFHGGJFSA-N 1 0 386.452 -0.093 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419305031 1073901182 /nfs/dbraw/zinc/90/11/82/1073901182.db2.gz VWKRISLYQUIMRY-CVEARBPZSA-N 1 0 376.457 -0.196 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419305032 1073901319 /nfs/dbraw/zinc/90/13/19/1073901319.db2.gz VWKRISLYQUIMRY-HOTGVXAUSA-N 1 0 376.457 -0.196 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419305033 1073901057 /nfs/dbraw/zinc/90/10/57/1073901057.db2.gz VWKRISLYQUIMRY-HZPDHXFCSA-N 1 0 376.457 -0.196 20 0 GBADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419305034 1073901366 /nfs/dbraw/zinc/90/13/66/1073901366.db2.gz VWKRISLYQUIMRY-JKSUJKDBSA-N 1 0 376.457 -0.196 20 0 GBADRO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000419305169 1073900100 /nfs/dbraw/zinc/90/01/00/1073900100.db2.gz QUSQWAMMCAZPRL-HLLBOEOZSA-N 1 0 386.452 -0.410 20 0 GBADRO COc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000419305170 1073900517 /nfs/dbraw/zinc/90/05/17/1073900517.db2.gz QUSQWAMMCAZPRL-UXLLHSPISA-N 1 0 386.452 -0.410 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)nc1 ZINC000419306152 1073900367 /nfs/dbraw/zinc/90/03/67/1073900367.db2.gz APDRWNGOBANFAA-UHFFFAOYSA-N 1 0 387.440 -0.401 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419306233 530348844 /nfs/dbraw/zinc/34/88/44/530348844.db2.gz XYBAPRGIFIDBOH-UHFFFAOYSA-N 1 0 376.523 -0.141 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)nc1 ZINC000419306472 1073900990 /nfs/dbraw/zinc/90/09/90/1073900990.db2.gz ATBBZANOWRCMDN-KBPBESRZSA-N 1 0 389.456 -0.051 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)nc1 ZINC000419306474 1073901118 /nfs/dbraw/zinc/90/11/18/1073901118.db2.gz ATBBZANOWRCMDN-KGLIPLIRSA-N 1 0 389.456 -0.051 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2)nc1 ZINC000419306476 1073901045 /nfs/dbraw/zinc/90/10/45/1073901045.db2.gz ATBBZANOWRCMDN-UONOGXRCSA-N 1 0 389.456 -0.051 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2)nc1 ZINC000419306478 1073901481 /nfs/dbraw/zinc/90/14/81/1073901481.db2.gz ATBBZANOWRCMDN-ZIAGYGMSSA-N 1 0 389.456 -0.051 20 0 GBADRO CCCC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419307105 1073901260 /nfs/dbraw/zinc/90/12/60/1073901260.db2.gz BTTWKZIPWNSJEZ-CVEARBPZSA-N 1 0 382.505 -0.022 20 0 GBADRO CCCC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419307106 1073900870 /nfs/dbraw/zinc/90/08/70/1073900870.db2.gz BTTWKZIPWNSJEZ-HOTGVXAUSA-N 1 0 382.505 -0.022 20 0 GBADRO CCCC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419307107 1073901370 /nfs/dbraw/zinc/90/13/70/1073901370.db2.gz BTTWKZIPWNSJEZ-HZPDHXFCSA-N 1 0 382.505 -0.022 20 0 GBADRO CCCC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419307108 1073901502 /nfs/dbraw/zinc/90/15/02/1073901502.db2.gz BTTWKZIPWNSJEZ-JKSUJKDBSA-N 1 0 382.505 -0.022 20 0 GBADRO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2=O)cc1 ZINC000419307560 1073901160 /nfs/dbraw/zinc/90/11/60/1073901160.db2.gz ULPBEHXSKNEKFJ-OIISXLGYSA-N 1 0 386.452 -0.267 20 0 GBADRO COc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2=O)cc1 ZINC000419307561 1073901034 /nfs/dbraw/zinc/90/10/34/1073901034.db2.gz ULPBEHXSKNEKFJ-PVAVHDDUSA-N 1 0 386.452 -0.267 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)C2)nc1 ZINC000419307746 1073900376 /nfs/dbraw/zinc/90/03/76/1073900376.db2.gz CYQNQKTVDGIACG-GFCCVEGCSA-N 1 0 377.445 -0.465 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)C2)nc1 ZINC000419307747 1073900225 /nfs/dbraw/zinc/90/02/25/1073900225.db2.gz CYQNQKTVDGIACG-LBPRGKRZSA-N 1 0 377.445 -0.465 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)nc1 ZINC000419307873 1073902163 /nfs/dbraw/zinc/90/21/63/1073902163.db2.gz DNUQKZXZSBUKQV-OKILXGFUSA-N 1 0 387.440 -0.759 20 0 GBADRO CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000419308219 1073902301 /nfs/dbraw/zinc/90/23/01/1073902301.db2.gz UXFKTMQEKCEGIQ-UHFFFAOYSA-N 1 0 390.484 -0.127 20 0 GBADRO COc1cc(OC)cc(OCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000419308988 1073901078 /nfs/dbraw/zinc/90/10/78/1073901078.db2.gz BFLPMIKVGBNVEI-INIZCTEOSA-N 1 0 381.429 -0.307 20 0 GBADRO COc1cc(OC)cc(OCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000419308989 1073901486 /nfs/dbraw/zinc/90/14/86/1073901486.db2.gz BFLPMIKVGBNVEI-MRXNPFEDSA-N 1 0 381.429 -0.307 20 0 GBADRO COc1cc(OC)cc(OCCCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000419309127 1073901409 /nfs/dbraw/zinc/90/14/09/1073901409.db2.gz BMAUYXBEGIPUHC-HOTGVXAUSA-N 1 0 381.429 -0.620 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)nc1 ZINC000419309823 1073901906 /nfs/dbraw/zinc/90/19/06/1073901906.db2.gz HASIPICNKGQHNP-GXTWGEPZSA-N 1 0 389.456 -0.193 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)nc1 ZINC000419309824 1073902098 /nfs/dbraw/zinc/90/20/98/1073902098.db2.gz HASIPICNKGQHNP-JSGCOSHPSA-N 1 0 389.456 -0.193 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)nc1 ZINC000419309825 1073902193 /nfs/dbraw/zinc/90/21/93/1073902193.db2.gz HASIPICNKGQHNP-OCCSQVGLSA-N 1 0 389.456 -0.193 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)nc1 ZINC000419309826 1073901918 /nfs/dbraw/zinc/90/19/18/1073901918.db2.gz HASIPICNKGQHNP-TZMCWYRMSA-N 1 0 389.456 -0.193 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)nc1 ZINC000419310429 1073902156 /nfs/dbraw/zinc/90/21/56/1073902156.db2.gz HMHKHAJSJDOCLB-GFCCVEGCSA-N 1 0 375.429 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc1 ZINC000419310430 1073901930 /nfs/dbraw/zinc/90/19/30/1073901930.db2.gz HMHKHAJSJDOCLB-LBPRGKRZSA-N 1 0 375.429 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)nc1 ZINC000419310488 1073902151 /nfs/dbraw/zinc/90/21/51/1073902151.db2.gz HSDVEUXSBUEMIZ-UHFFFAOYSA-N 1 0 389.456 -0.240 20 0 GBADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419310596 1073902167 /nfs/dbraw/zinc/90/21/67/1073902167.db2.gz CTOCMGQFQBUZPH-DUVNUKRYSA-N 1 0 391.447 -0.001 20 0 GBADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419310601 1073902279 /nfs/dbraw/zinc/90/22/79/1073902279.db2.gz CTOCMGQFQBUZPH-IVMMDQJWSA-N 1 0 391.447 -0.001 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)nc1 ZINC000419310864 1073902885 /nfs/dbraw/zinc/90/28/85/1073902885.db2.gz HWDTZVINFZIBNN-DOMZBBRYSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)nc1 ZINC000419310865 1073902846 /nfs/dbraw/zinc/90/28/46/1073902846.db2.gz HWDTZVINFZIBNN-IUODEOHRSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)nc1 ZINC000419310866 1073902878 /nfs/dbraw/zinc/90/28/78/1073902878.db2.gz HWDTZVINFZIBNN-SWLSCSKDSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)nc1 ZINC000419310867 1073903324 /nfs/dbraw/zinc/90/33/24/1073903324.db2.gz HWDTZVINFZIBNN-WFASDCNBSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000419310878 1073903114 /nfs/dbraw/zinc/90/31/14/1073903114.db2.gz HXCNMHWSDQCPJA-CYBMUJFWSA-N 1 0 389.456 -0.321 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000419310882 1073902771 /nfs/dbraw/zinc/90/27/71/1073902771.db2.gz HXCNMHWSDQCPJA-ZDUSSCGKSA-N 1 0 389.456 -0.321 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)nc1 ZINC000419311674 1073902197 /nfs/dbraw/zinc/90/21/97/1073902197.db2.gz IUMTUEFFFKHSFO-GXTWGEPZSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)C2)nc1 ZINC000419311675 1073902249 /nfs/dbraw/zinc/90/22/49/1073902249.db2.gz IUMTUEFFFKHSFO-JSGCOSHPSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)nc1 ZINC000419311677 1073902229 /nfs/dbraw/zinc/90/22/29/1073902229.db2.gz IUMTUEFFFKHSFO-OCCSQVGLSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)C2)nc1 ZINC000419311679 1073901947 /nfs/dbraw/zinc/90/19/47/1073901947.db2.gz IUMTUEFFFKHSFO-TZMCWYRMSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC[NH2+]CC3)C2)nc1 ZINC000419311695 1073901999 /nfs/dbraw/zinc/90/19/99/1073901999.db2.gz IVGXIRCHDKFVJK-UHFFFAOYSA-N 1 0 375.429 -0.615 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2=O)cn1 ZINC000419312268 1073903297 /nfs/dbraw/zinc/90/32/97/1073903297.db2.gz DLDMHJGGRZRERG-CABCVRRESA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2=O)cn1 ZINC000419312270 1073903000 /nfs/dbraw/zinc/90/30/00/1073903000.db2.gz DLDMHJGGRZRERG-GJZGRUSLSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2=O)cn1 ZINC000419312271 1073903331 /nfs/dbraw/zinc/90/33/31/1073903331.db2.gz DLDMHJGGRZRERG-HUUCEWRRSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2=O)cn1 ZINC000419312272 1073903262 /nfs/dbraw/zinc/90/32/62/1073903262.db2.gz DLDMHJGGRZRERG-LSDHHAIUSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419312973 1073904078 /nfs/dbraw/zinc/90/40/78/1073904078.db2.gz FKZJRIBWKAAMIG-KBPBESRZSA-N 1 0 376.461 -0.464 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419312974 1073904316 /nfs/dbraw/zinc/90/43/16/1073904316.db2.gz FKZJRIBWKAAMIG-KGLIPLIRSA-N 1 0 376.461 -0.464 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419312975 1073903997 /nfs/dbraw/zinc/90/39/97/1073903997.db2.gz FKZJRIBWKAAMIG-UONOGXRCSA-N 1 0 376.461 -0.464 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)cn1 ZINC000419312976 1073903830 /nfs/dbraw/zinc/90/38/30/1073903830.db2.gz FKZJRIBWKAAMIG-ZIAGYGMSSA-N 1 0 376.461 -0.464 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC([NH3+])CC3)C2)nc1 ZINC000419313088 1073903989 /nfs/dbraw/zinc/90/39/89/1073903989.db2.gz KNDOFWOTORUJGB-UHFFFAOYSA-N 1 0 375.429 -0.487 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N(C)CCC[NH2+]C)C2)nc1 ZINC000419313149 1073904234 /nfs/dbraw/zinc/90/42/34/1073904234.db2.gz KSZVIQMBJCBPOX-UHFFFAOYSA-N 1 0 377.445 -0.369 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)nc1 ZINC000419313477 1073903191 /nfs/dbraw/zinc/90/31/91/1073903191.db2.gz KYGRPRTVXWROPJ-UHFFFAOYSA-N 1 0 389.456 -0.227 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)C2)nc1 ZINC000419313508 1073902852 /nfs/dbraw/zinc/90/28/52/1073902852.db2.gz KZJGAOPSCIMGPH-GXTWGEPZSA-N 1 0 389.456 -0.180 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)C2)nc1 ZINC000419313509 1073903200 /nfs/dbraw/zinc/90/32/00/1073903200.db2.gz KZJGAOPSCIMGPH-JSGCOSHPSA-N 1 0 389.456 -0.180 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)C2)nc1 ZINC000419313510 1073903377 /nfs/dbraw/zinc/90/33/77/1073903377.db2.gz KZJGAOPSCIMGPH-OCCSQVGLSA-N 1 0 389.456 -0.180 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)C2)nc1 ZINC000419313511 1073903271 /nfs/dbraw/zinc/90/32/71/1073903271.db2.gz KZJGAOPSCIMGPH-TZMCWYRMSA-N 1 0 389.456 -0.180 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)nc1 ZINC000419313530 1073903171 /nfs/dbraw/zinc/90/31/71/1073903171.db2.gz LBDWSNLGSIOXIT-GFCCVEGCSA-N 1 0 375.429 -0.630 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)nc1 ZINC000419313531 1073903291 /nfs/dbraw/zinc/90/32/91/1073903291.db2.gz LBDWSNLGSIOXIT-LBPRGKRZSA-N 1 0 375.429 -0.630 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(O)cc2)C1 ZINC000419313831 1073904122 /nfs/dbraw/zinc/90/41/22/1073904122.db2.gz LTITWNJLVGEQES-HNNXBMFYSA-N 1 0 376.457 -0.246 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(O)cc2)C1 ZINC000419313832 1073904001 /nfs/dbraw/zinc/90/40/01/1073904001.db2.gz LTITWNJLVGEQES-OAHLLOKOSA-N 1 0 376.457 -0.246 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)C2)nc1 ZINC000419314254 1073904224 /nfs/dbraw/zinc/90/42/24/1073904224.db2.gz MHCOFXOGLIQMAK-CQSZACIVSA-N 1 0 389.456 -0.179 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000419314304 1073902938 /nfs/dbraw/zinc/90/29/38/1073902938.db2.gz MNAFOKCCNJOCHL-CYBMUJFWSA-N 1 0 375.429 -0.569 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000419314305 1073902834 /nfs/dbraw/zinc/90/28/34/1073902834.db2.gz MNAFOKCCNJOCHL-ZDUSSCGKSA-N 1 0 375.429 -0.569 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)nc1 ZINC000419314335 1073904297 /nfs/dbraw/zinc/90/42/97/1073904297.db2.gz MRMWJOMDCBJQGS-UHFFFAOYSA-N 1 0 389.456 -0.227 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)C2)nc1 ZINC000419315104 1073904054 /nfs/dbraw/zinc/90/40/54/1073904054.db2.gz NVZIQHIASMRGQY-CYBMUJFWSA-N 1 0 389.456 -0.369 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)C2)nc1 ZINC000419315105 1073904180 /nfs/dbraw/zinc/90/41/80/1073904180.db2.gz NVZIQHIASMRGQY-ZDUSSCGKSA-N 1 0 389.456 -0.369 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)nc1 ZINC000419315471 1073904173 /nfs/dbraw/zinc/90/41/73/1073904173.db2.gz OMAJKUIOBARISJ-CYBMUJFWSA-N 1 0 375.429 -0.569 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000419315472 1073903888 /nfs/dbraw/zinc/90/38/88/1073903888.db2.gz OMAJKUIOBARISJ-ZDUSSCGKSA-N 1 0 375.429 -0.569 20 0 GBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)C[C@H](C)O1 ZINC000419315806 1073903875 /nfs/dbraw/zinc/90/38/75/1073903875.db2.gz WNRHMJNWVAJGPH-MDBPOYHNSA-N 1 0 387.484 -0.011 20 0 GBADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)C[C@H](C)O1 ZINC000419315807 1073904325 /nfs/dbraw/zinc/90/43/25/1073904325.db2.gz WNRHMJNWVAJGPH-NXNVCVFFSA-N 1 0 387.484 -0.011 20 0 GBADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)C[C@@H](C)O1 ZINC000419315808 1073904071 /nfs/dbraw/zinc/90/40/71/1073904071.db2.gz WNRHMJNWVAJGPH-SRABZTEZSA-N 1 0 387.484 -0.011 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)nc1 ZINC000419316002 1073904871 /nfs/dbraw/zinc/90/48/71/1073904871.db2.gz PLYREEZGYUIKKR-DOMZBBRYSA-N 1 0 387.440 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)C2)nc1 ZINC000419316021 1073904981 /nfs/dbraw/zinc/90/49/81/1073904981.db2.gz POIZNMMCIUAUPI-CHWSQXEVSA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)C2)nc1 ZINC000419316022 1073904974 /nfs/dbraw/zinc/90/49/74/1073904974.db2.gz POIZNMMCIUAUPI-OLZOCXBDSA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)C2)nc1 ZINC000419316023 1073905065 /nfs/dbraw/zinc/90/50/65/1073905065.db2.gz POIZNMMCIUAUPI-QWHCGFSZSA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)C2)nc1 ZINC000419316024 1073904925 /nfs/dbraw/zinc/90/49/25/1073904925.db2.gz POIZNMMCIUAUPI-STQMWFEESA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000419316033 1073904996 /nfs/dbraw/zinc/90/49/96/1073904996.db2.gz POUUPERTIXYLMX-AWEZNQCLSA-N 1 0 389.456 -0.179 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000419316034 1073905279 /nfs/dbraw/zinc/90/52/79/1073905279.db2.gz POUUPERTIXYLMX-CQSZACIVSA-N 1 0 389.456 -0.179 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)nc1 ZINC000419316227 1073903867 /nfs/dbraw/zinc/90/38/67/1073903867.db2.gz PRVGAFBUEIOPSV-CYBMUJFWSA-N 1 0 375.429 -0.487 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)nc1 ZINC000419316336 1073904015 /nfs/dbraw/zinc/90/40/15/1073904015.db2.gz QBPWEELHBGPYEK-AWEZNQCLSA-N 1 0 375.429 -0.583 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)nc1 ZINC000419316337 1073904163 /nfs/dbraw/zinc/90/41/63/1073904163.db2.gz QBPWEELHBGPYEK-CQSZACIVSA-N 1 0 375.429 -0.583 20 0 GBADRO CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419316403 1073904040 /nfs/dbraw/zinc/90/40/40/1073904040.db2.gz LHGHLOVNWJTMRA-HRCADAONSA-N 1 0 391.447 -0.001 20 0 GBADRO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419316404 1073903855 /nfs/dbraw/zinc/90/38/55/1073903855.db2.gz LHGHLOVNWJTMRA-OWCLPIDISA-N 1 0 391.447 -0.001 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)C2)nc1 ZINC000419316461 1073903950 /nfs/dbraw/zinc/90/39/50/1073903950.db2.gz QDXFHILYBZTOKF-CHWSQXEVSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)C2)nc1 ZINC000419316462 1073904189 /nfs/dbraw/zinc/90/41/89/1073904189.db2.gz QDXFHILYBZTOKF-OLZOCXBDSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)C2)nc1 ZINC000419316463 1073904229 /nfs/dbraw/zinc/90/42/29/1073904229.db2.gz QDXFHILYBZTOKF-QWHCGFSZSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)C2)nc1 ZINC000419316464 1073904330 /nfs/dbraw/zinc/90/43/30/1073904330.db2.gz QDXFHILYBZTOKF-STQMWFEESA-N 1 0 389.456 -0.241 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 ZINC000419316775 1073905022 /nfs/dbraw/zinc/90/50/22/1073905022.db2.gz QUGIDDSBSGXYMB-GFCCVEGCSA-N 1 0 377.445 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)C2)nc1 ZINC000419318517 1073904967 /nfs/dbraw/zinc/90/49/67/1073904967.db2.gz UNNGKLVOAPORAU-DOMZBBRYSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)nc1 ZINC000419318520 1073904948 /nfs/dbraw/zinc/90/49/48/1073904948.db2.gz UNNGKLVOAPORAU-IUODEOHRSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)nc1 ZINC000419318521 1073905108 /nfs/dbraw/zinc/90/51/08/1073905108.db2.gz UNNGKLVOAPORAU-SWLSCSKDSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)nc1 ZINC000419318523 1073905000 /nfs/dbraw/zinc/90/50/00/1073905000.db2.gz UNNGKLVOAPORAU-WFASDCNBSA-N 1 0 389.456 -0.323 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC([NH2+]C)CC3)C2)nc1 ZINC000419318848 1073904889 /nfs/dbraw/zinc/90/48/89/1073904889.db2.gz UZCCRFIGZHLDIM-UHFFFAOYSA-N 1 0 389.456 -0.227 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)C2)nc1 ZINC000419318856 1073905018 /nfs/dbraw/zinc/90/50/18/1073905018.db2.gz VAHSGRANFMRHDJ-HNNXBMFYSA-N 1 0 389.456 -0.227 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)C2)nc1 ZINC000419318857 1073904988 /nfs/dbraw/zinc/90/49/88/1073904988.db2.gz VAHSGRANFMRHDJ-OAHLLOKOSA-N 1 0 389.456 -0.227 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)C2)nc1 ZINC000419319002 1073905112 /nfs/dbraw/zinc/90/51/12/1073905112.db2.gz VKCRSAKGKIJEFG-DOMZBBRYSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)C2)nc1 ZINC000419319004 1073904941 /nfs/dbraw/zinc/90/49/41/1073904941.db2.gz VKCRSAKGKIJEFG-IUODEOHRSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)C2)nc1 ZINC000419319007 1073904998 /nfs/dbraw/zinc/90/49/98/1073904998.db2.gz VKCRSAKGKIJEFG-SWLSCSKDSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)C2)nc1 ZINC000419319008 1073905203 /nfs/dbraw/zinc/90/52/03/1073905203.db2.gz VKCRSAKGKIJEFG-WFASDCNBSA-N 1 0 389.456 -0.241 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000419319182 1073905015 /nfs/dbraw/zinc/90/50/15/1073905015.db2.gz VRQZYHKTGNUPBN-CYBMUJFWSA-N 1 0 389.456 -0.321 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000419319183 1073905039 /nfs/dbraw/zinc/90/50/39/1073905039.db2.gz VRQZYHKTGNUPBN-ZDUSSCGKSA-N 1 0 389.456 -0.321 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)nc1 ZINC000419319192 1073905011 /nfs/dbraw/zinc/90/50/11/1073905011.db2.gz VSJRDVHUJDRMRZ-AWEZNQCLSA-N 1 0 375.429 -0.583 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)nc1 ZINC000419319193 1073905047 /nfs/dbraw/zinc/90/50/47/1073905047.db2.gz VSJRDVHUJDRMRZ-CQSZACIVSA-N 1 0 375.429 -0.583 20 0 GBADRO COc1cc(OC)cc(OCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000419319885 1073906339 /nfs/dbraw/zinc/90/63/39/1073906339.db2.gz PDXSHWMRWABDMZ-INIZCTEOSA-N 1 0 381.429 -0.225 20 0 GBADRO COc1cc(OC)cc(OCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000419319886 1073906005 /nfs/dbraw/zinc/90/60/05/1073906005.db2.gz PDXSHWMRWABDMZ-MRXNPFEDSA-N 1 0 381.429 -0.225 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C2)nc1 ZINC000419320009 1073905729 /nfs/dbraw/zinc/90/57/29/1073905729.db2.gz WXMAPYBILHGNSK-AWEZNQCLSA-N 1 0 377.445 -0.337 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)nc1 ZINC000419320010 1073906541 /nfs/dbraw/zinc/90/65/41/1073906541.db2.gz WXMAPYBILHGNSK-CQSZACIVSA-N 1 0 377.445 -0.337 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC3CCC([NH3+])CC3)C2)nc1 ZINC000419320161 1073905966 /nfs/dbraw/zinc/90/59/66/1073905966.db2.gz XCLDSMMRKOQVIG-UHFFFAOYSA-N 1 0 389.456 -0.051 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)C2)nc1 ZINC000419320204 1073906529 /nfs/dbraw/zinc/90/65/29/1073906529.db2.gz XEXWZLBSKRWQRH-IBGZPJMESA-N 1 0 389.456 -0.240 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)C2)nc1 ZINC000419320208 1073906475 /nfs/dbraw/zinc/90/64/75/1073906475.db2.gz XEXWZLBSKRWQRH-LJQANCHMSA-N 1 0 389.456 -0.240 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)nc1 ZINC000419320500 1073906194 /nfs/dbraw/zinc/90/61/94/1073906194.db2.gz XRDMHJOVOJAYCD-BETUJISGSA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)C2)nc1 ZINC000419320503 1073906238 /nfs/dbraw/zinc/90/62/38/1073906238.db2.gz XRDMHJOVOJAYCD-CHWSQXEVSA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)C2)nc1 ZINC000419320507 1073906089 /nfs/dbraw/zinc/90/60/89/1073906089.db2.gz XRDMHJOVOJAYCD-STQMWFEESA-N 1 0 389.456 -0.228 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)nc1 ZINC000419320624 1073906304 /nfs/dbraw/zinc/90/63/04/1073906304.db2.gz XXWHBZLGJXZGKS-GFCCVEGCSA-N 1 0 375.429 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)nc1 ZINC000419320625 1073906072 /nfs/dbraw/zinc/90/60/72/1073906072.db2.gz XXWHBZLGJXZGKS-LBPRGKRZSA-N 1 0 375.429 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCC3([NH3+])CCC3)C2)nc1 ZINC000419320886 1073905933 /nfs/dbraw/zinc/90/59/33/1073905933.db2.gz YFMAEQDOVAAREG-UHFFFAOYSA-N 1 0 375.429 -0.439 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)C2)nc1 ZINC000419321520 1073906500 /nfs/dbraw/zinc/90/65/00/1073906500.db2.gz ZOQAIZBANPAEBR-CYBMUJFWSA-N 1 0 375.429 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)C2)nc1 ZINC000419321521 1073906486 /nfs/dbraw/zinc/90/64/86/1073906486.db2.gz ZOQAIZBANPAEBR-ZDUSSCGKSA-N 1 0 375.429 -0.617 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)nn2)cc1 ZINC000419322840 1073907241 /nfs/dbraw/zinc/90/72/41/1073907241.db2.gz SUBADMLMCXAXKG-KBPBESRZSA-N 1 0 384.440 -0.040 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)nn2)cc1 ZINC000419322841 1073907268 /nfs/dbraw/zinc/90/72/68/1073907268.db2.gz SUBADMLMCXAXKG-KGLIPLIRSA-N 1 0 384.440 -0.040 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)nn2)cc1 ZINC000419322842 1073906872 /nfs/dbraw/zinc/90/68/72/1073906872.db2.gz SUBADMLMCXAXKG-UONOGXRCSA-N 1 0 384.440 -0.040 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)nn2)cc1 ZINC000419322843 1073906909 /nfs/dbraw/zinc/90/69/09/1073906909.db2.gz SUBADMLMCXAXKG-ZIAGYGMSSA-N 1 0 384.440 -0.040 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCCC3)C2=O)cn1 ZINC000419329797 1073909577 /nfs/dbraw/zinc/90/95/77/1073909577.db2.gz OYQYHXGYSWSZKG-AWEZNQCLSA-N 1 0 376.461 -0.191 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCCC3)C2=O)cn1 ZINC000419329798 1073909473 /nfs/dbraw/zinc/90/94/73/1073909473.db2.gz OYQYHXGYSWSZKG-CQSZACIVSA-N 1 0 376.461 -0.191 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000419331890 1073910480 /nfs/dbraw/zinc/91/04/80/1073910480.db2.gz QYABQKNTHIVWGU-RVMXOQNASA-N 1 0 392.422 -0.132 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000419331893 1073910460 /nfs/dbraw/zinc/91/04/60/1073910460.db2.gz QYABQKNTHIVWGU-WUHRBBMRSA-N 1 0 392.422 -0.132 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000419331895 1073910442 /nfs/dbraw/zinc/91/04/42/1073910442.db2.gz QYABQKNTHIVWGU-XQHKEYJVSA-N 1 0 392.422 -0.132 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCO[C@H]21 ZINC000419331897 1073910346 /nfs/dbraw/zinc/91/03/46/1073910346.db2.gz QYABQKNTHIVWGU-YVECIDJPSA-N 1 0 392.422 -0.132 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)C2=O)cn1 ZINC000419333611 1073910405 /nfs/dbraw/zinc/91/04/05/1073910405.db2.gz SOLFLMSQKZIAQC-BBWFWOEESA-N 1 0 396.451 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Cc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCOCC2)c1 ZINC000419338422 1073913024 /nfs/dbraw/zinc/91/30/24/1073913024.db2.gz BZFQHCLTSQALTK-ROUUACIJSA-N 1 0 390.484 -0.411 20 0 GBADRO Cc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCOCC2)c1 ZINC000419338423 1073913210 /nfs/dbraw/zinc/91/32/10/1073913210.db2.gz BZFQHCLTSQALTK-ZWKOTPCHSA-N 1 0 390.484 -0.411 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@@H]2CCO[C@@H]21 ZINC000419339951 1073913187 /nfs/dbraw/zinc/91/31/87/1073913187.db2.gz YHPHUQDBMSWVSC-CLWVCHIJSA-N 1 0 380.489 -0.238 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@@H]2CCO[C@H]21 ZINC000419339952 1073913182 /nfs/dbraw/zinc/91/31/82/1073913182.db2.gz YHPHUQDBMSWVSC-OCVGTWLNSA-N 1 0 380.489 -0.238 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@H]2CCO[C@H]21 ZINC000419339953 1073912834 /nfs/dbraw/zinc/91/28/34/1073912834.db2.gz YHPHUQDBMSWVSC-RRCSTGOVSA-N 1 0 380.489 -0.238 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@H]2CCO[C@@H]21 ZINC000419339954 1073913276 /nfs/dbraw/zinc/91/32/76/1073913276.db2.gz YHPHUQDBMSWVSC-XOUADPBQSA-N 1 0 380.489 -0.238 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2=O)cn1 ZINC000419341080 1073912989 /nfs/dbraw/zinc/91/29/89/1073912989.db2.gz ZYMVCUWBZPXFJJ-INIZCTEOSA-N 1 0 384.440 -0.371 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2=O)cn1 ZINC000419341081 1073912850 /nfs/dbraw/zinc/91/28/50/1073912850.db2.gz ZYMVCUWBZPXFJJ-MRXNPFEDSA-N 1 0 384.440 -0.371 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419341408 1073913048 /nfs/dbraw/zinc/91/30/48/1073913048.db2.gz AGNGLZCXMFSNQY-UHFFFAOYSA-N 1 0 375.473 -0.433 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419341761 1073913923 /nfs/dbraw/zinc/91/39/23/1073913923.db2.gz BCHDOXVUSUMWSW-NVXWUHKLSA-N 1 0 387.484 -0.353 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419342834 1073915269 /nfs/dbraw/zinc/91/52/69/1073915269.db2.gz DRDJBFSVQPTFCA-UHFFFAOYSA-N 1 0 389.500 -0.043 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419343104 1073913950 /nfs/dbraw/zinc/91/39/50/1073913950.db2.gz DZSFGGMXYOPXLD-HNNXBMFYSA-N 1 0 388.472 -0.943 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419343105 1073913987 /nfs/dbraw/zinc/91/39/87/1073913987.db2.gz DZSFGGMXYOPXLD-OAHLLOKOSA-N 1 0 388.472 -0.943 20 0 GBADRO O=C(CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419343287 1073915155 /nfs/dbraw/zinc/91/51/55/1073915155.db2.gz FJBZNKJTYVXHRL-INIZCTEOSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2)CC1 ZINC000419343289 1073915359 /nfs/dbraw/zinc/91/53/59/1073915359.db2.gz FJBZNKJTYVXHRL-MRXNPFEDSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419343397 1073914835 /nfs/dbraw/zinc/91/48/35/1073914835.db2.gz FOFHSEDZUSKXGD-CALCHBBNSA-N 1 0 399.495 -0.481 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419343414 1073914938 /nfs/dbraw/zinc/91/49/38/1073914938.db2.gz FQPHXIBRIFLGAB-CVEARBPZSA-N 1 0 376.432 -0.047 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343551 1073913791 /nfs/dbraw/zinc/91/37/91/1073913791.db2.gz FXRTVNOFJDMAQJ-DOMZBBRYSA-N 1 0 394.447 -0.170 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343552 1073914291 /nfs/dbraw/zinc/91/42/91/1073914291.db2.gz FXRTVNOFJDMAQJ-IUODEOHRSA-N 1 0 394.447 -0.170 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343553 1073913805 /nfs/dbraw/zinc/91/38/05/1073913805.db2.gz FXRTVNOFJDMAQJ-SWLSCSKDSA-N 1 0 394.447 -0.170 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000419343554 1073913776 /nfs/dbraw/zinc/91/37/76/1073913776.db2.gz FXRTVNOFJDMAQJ-WFASDCNBSA-N 1 0 394.447 -0.170 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419343564 1073914196 /nfs/dbraw/zinc/91/41/96/1073914196.db2.gz FZGRMWYZTMMUAV-MRXNPFEDSA-N 1 0 389.500 -0.044 20 0 GBADRO O=C(CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000419343892 1073915252 /nfs/dbraw/zinc/91/52/52/1073915252.db2.gz GZVUFMOVHWCOTD-INIZCTEOSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000419343893 1073914905 /nfs/dbraw/zinc/91/49/05/1073914905.db2.gz GZVUFMOVHWCOTD-MRXNPFEDSA-N 1 0 387.484 -0.290 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419343942 1073915078 /nfs/dbraw/zinc/91/50/78/1073915078.db2.gz HHYQUWYNRZHAKZ-UHFFFAOYSA-N 1 0 375.473 -0.305 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419344164 1073914379 /nfs/dbraw/zinc/91/43/79/1073914379.db2.gz HLCCEYBRWYJVEK-UHFFFAOYSA-N 1 0 389.500 -0.091 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419344182 1073914180 /nfs/dbraw/zinc/91/41/80/1073914180.db2.gz HNKWODFCOWWHTP-INIZCTEOSA-N 1 0 387.484 -0.338 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419344183 1073913873 /nfs/dbraw/zinc/91/38/73/1073913873.db2.gz HNKWODFCOWWHTP-MRXNPFEDSA-N 1 0 387.484 -0.338 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419344187 1073914170 /nfs/dbraw/zinc/91/41/70/1073914170.db2.gz HNWQLPHXDIWVCV-INIZCTEOSA-N 1 0 387.484 -0.338 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419344188 1073914278 /nfs/dbraw/zinc/91/42/78/1073914278.db2.gz HNWQLPHXDIWVCV-MRXNPFEDSA-N 1 0 387.484 -0.338 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419344203 1073914301 /nfs/dbraw/zinc/91/43/01/1073914301.db2.gz HQHYAQITDKLLIN-KRWDZBQOSA-N 1 0 389.500 -0.059 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419344204 1073914223 /nfs/dbraw/zinc/91/42/23/1073914223.db2.gz HQHYAQITDKLLIN-QGZVFWFLSA-N 1 0 389.500 -0.059 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cn2)CC1 ZINC000419344854 1073916340 /nfs/dbraw/zinc/91/63/40/1073916340.db2.gz SIKLYPSRIFTQRT-UHFFFAOYSA-N 1 0 384.431 -0.450 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419344983 1073916293 /nfs/dbraw/zinc/91/62/93/1073916293.db2.gz JMYHQZOCLODECP-IYBDPMFKSA-N 1 0 376.432 -0.047 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419345204 1073916236 /nfs/dbraw/zinc/91/62/36/1073916236.db2.gz KKJMKABZMGPDPB-IBGZPJMESA-N 1 0 376.432 -0.187 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419345205 1073915967 /nfs/dbraw/zinc/91/59/67/1073915967.db2.gz KKJMKABZMGPDPB-LJQANCHMSA-N 1 0 376.432 -0.187 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419345489 1073917313 /nfs/dbraw/zinc/91/73/13/1073917313.db2.gz LBRYWDYTKRGUFN-HNNXBMFYSA-N 1 0 375.473 -0.305 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419345490 1073917244 /nfs/dbraw/zinc/91/72/44/1073917244.db2.gz LBRYWDYTKRGUFN-OAHLLOKOSA-N 1 0 375.473 -0.305 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000419345669 1073916054 /nfs/dbraw/zinc/91/60/54/1073916054.db2.gz LOTONTHNKXJAOS-KRWDZBQOSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000419345670 1073916065 /nfs/dbraw/zinc/91/60/65/1073916065.db2.gz LOTONTHNKXJAOS-QGZVFWFLSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000419345716 1073916148 /nfs/dbraw/zinc/91/61/48/1073916148.db2.gz LTHPRYGLBMNGMP-KRWDZBQOSA-N 1 0 387.484 -0.305 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000419345717 1073916260 /nfs/dbraw/zinc/91/62/60/1073916260.db2.gz LTHPRYGLBMNGMP-QGZVFWFLSA-N 1 0 387.484 -0.305 20 0 GBADRO COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000419345722 1073916100 /nfs/dbraw/zinc/91/61/00/1073916100.db2.gz LTXUZOZODYGZKJ-CVEARBPZSA-N 1 0 398.504 -0.787 20 0 GBADRO COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000419345723 1073916212 /nfs/dbraw/zinc/91/62/12/1073916212.db2.gz LTXUZOZODYGZKJ-HOTGVXAUSA-N 1 0 398.504 -0.787 20 0 GBADRO COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000419345724 1073916120 /nfs/dbraw/zinc/91/61/20/1073916120.db2.gz LTXUZOZODYGZKJ-HZPDHXFCSA-N 1 0 398.504 -0.787 20 0 GBADRO COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000419345725 1073916150 /nfs/dbraw/zinc/91/61/50/1073916150.db2.gz LTXUZOZODYGZKJ-JKSUJKDBSA-N 1 0 398.504 -0.787 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419346020 1073917108 /nfs/dbraw/zinc/91/71/08/1073917108.db2.gz MIGLJADGRACROF-OAHLLOKOSA-N 1 0 390.488 -0.649 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419346304 1073917182 /nfs/dbraw/zinc/91/71/82/1073917182.db2.gz NFUCKQYOBIVNLZ-CABCVRRESA-N 1 0 376.432 -0.332 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419346305 1073916847 /nfs/dbraw/zinc/91/68/47/1073916847.db2.gz NFUCKQYOBIVNLZ-GJZGRUSLSA-N 1 0 376.432 -0.332 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419346306 1073917331 /nfs/dbraw/zinc/91/73/31/1073917331.db2.gz NFUCKQYOBIVNLZ-HUUCEWRRSA-N 1 0 376.432 -0.332 20 0 GBADRO O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419346307 1073916890 /nfs/dbraw/zinc/91/68/90/1073916890.db2.gz NFUCKQYOBIVNLZ-LSDHHAIUSA-N 1 0 376.432 -0.332 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419346728 1073916204 /nfs/dbraw/zinc/91/62/04/1073916204.db2.gz ODRYNYRCVNSGQJ-INIZCTEOSA-N 1 0 387.484 -0.209 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000419346730 1073915721 /nfs/dbraw/zinc/91/57/21/1073915721.db2.gz ODRYNYRCVNSGQJ-MRXNPFEDSA-N 1 0 387.484 -0.209 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419347296 1073917235 /nfs/dbraw/zinc/91/72/35/1073917235.db2.gz PWESNZBCYRWQSU-INIZCTEOSA-N 1 0 389.500 -0.187 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419347299 1073917325 /nfs/dbraw/zinc/91/73/25/1073917325.db2.gz PWESNZBCYRWQSU-MRXNPFEDSA-N 1 0 389.500 -0.187 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419347791 1073917124 /nfs/dbraw/zinc/91/71/24/1073917124.db2.gz QZIMXOBCUVUXGB-INIZCTEOSA-N 1 0 387.484 -0.338 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419347792 1073916979 /nfs/dbraw/zinc/91/69/79/1073916979.db2.gz QZIMXOBCUVUXGB-MRXNPFEDSA-N 1 0 387.484 -0.338 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419348076 1073917188 /nfs/dbraw/zinc/91/71/88/1073917188.db2.gz RJIBIZLHAKHLRU-UHFFFAOYSA-N 1 0 375.473 -0.433 20 0 GBADRO O=C(CCNC(=O)C(=O)N1CCC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000419348995 1073918533 /nfs/dbraw/zinc/91/85/33/1073918533.db2.gz SXRKITIFZXILGS-UHFFFAOYSA-N 1 0 387.484 -0.337 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[NH2+]1 ZINC000419349356 1073918518 /nfs/dbraw/zinc/91/85/18/1073918518.db2.gz UDHFOAMFGFPCKR-HNNXBMFYSA-N 1 0 388.472 -0.943 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[NH2+]1 ZINC000419349357 1073917893 /nfs/dbraw/zinc/91/78/93/1073917893.db2.gz UDHFOAMFGFPCKR-OAHLLOKOSA-N 1 0 388.472 -0.943 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000419349401 1073918149 /nfs/dbraw/zinc/91/81/49/1073918149.db2.gz UKQBWFDISLWTMG-OAHLLOKOSA-N 1 0 388.472 -0.814 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419349430 1073918328 /nfs/dbraw/zinc/91/83/28/1073918328.db2.gz UQLHWHCUSRSIOL-HNNXBMFYSA-N 1 0 375.473 -0.448 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419349431 1073918118 /nfs/dbraw/zinc/91/81/18/1073918118.db2.gz UQLHWHCUSRSIOL-OAHLLOKOSA-N 1 0 375.473 -0.448 20 0 GBADRO O=C(CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000419349751 1073918181 /nfs/dbraw/zinc/91/81/81/1073918181.db2.gz UVFYSBMFMWBTGV-AEFFLSMTSA-N 1 0 399.495 -0.338 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419349789 1073916897 /nfs/dbraw/zinc/91/68/97/1073916897.db2.gz VCYVNPZTHGTKLD-UHFFFAOYSA-N 1 0 390.488 -0.648 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419349833 1073918461 /nfs/dbraw/zinc/91/84/61/1073918461.db2.gz VLCGVIAMLMUALS-HNNXBMFYSA-N 1 0 375.473 -0.353 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419349834 1073918004 /nfs/dbraw/zinc/91/80/04/1073918004.db2.gz VLCGVIAMLMUALS-OAHLLOKOSA-N 1 0 375.473 -0.353 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCC1 ZINC000419350181 1073918927 /nfs/dbraw/zinc/91/89/27/1073918927.db2.gz VVAWVJQZXDXEIH-UHFFFAOYSA-N 1 0 387.484 -0.161 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419350215 1072475032 /nfs/dbraw/zinc/47/50/32/1072475032.db2.gz WCNOSRRBDZIAEO-UHFFFAOYSA-N 1 0 375.473 -0.481 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419350954 1073919160 /nfs/dbraw/zinc/91/91/60/1073919160.db2.gz XSCJRJTWZDBJJS-HNNXBMFYSA-N 1 0 390.488 -0.664 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000419350957 1073919031 /nfs/dbraw/zinc/91/90/31/1073919031.db2.gz XSCJRJTWZDBJJS-OAHLLOKOSA-N 1 0 390.488 -0.664 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000419351842 1073919013 /nfs/dbraw/zinc/91/90/13/1073919013.db2.gz YSWKEDQNKXUPNN-QGZVFWFLSA-N 1 0 387.484 -0.209 20 0 GBADRO Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419352468 1073919097 /nfs/dbraw/zinc/91/90/97/1073919097.db2.gz ZLJOFVGWSMJDSL-UHFFFAOYSA-N 1 0 388.447 -0.043 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419352920 1073920339 /nfs/dbraw/zinc/92/03/39/1073920339.db2.gz BNMLJCBRSGWQPZ-UHFFFAOYSA-N 1 0 381.864 -0.560 20 0 GBADRO COCc1ccccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419353136 1073920112 /nfs/dbraw/zinc/92/01/12/1073920112.db2.gz KXZFLJPJHDGRJE-HNNXBMFYSA-N 1 0 376.457 -0.237 20 0 GBADRO COCc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419353138 1073920390 /nfs/dbraw/zinc/92/03/90/1073920390.db2.gz KXZFLJPJHDGRJE-OAHLLOKOSA-N 1 0 376.457 -0.237 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419353791 1073919347 /nfs/dbraw/zinc/91/93/47/1073919347.db2.gz CVXBVZBUIYHZCY-UHFFFAOYSA-N 1 0 381.864 -0.430 20 0 GBADRO O=C(NCCNC(=O)c1cnccn1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419355816 1073920975 /nfs/dbraw/zinc/92/09/75/1073920975.db2.gz MLAWPSLJOBNGMQ-UHFFFAOYSA-N 1 0 376.461 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COCc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419358343 1073924076 /nfs/dbraw/zinc/92/40/76/1073924076.db2.gz QDBOAGAWTPEHCR-INIZCTEOSA-N 1 0 376.457 -0.237 20 0 GBADRO COCc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419358345 1073924354 /nfs/dbraw/zinc/92/43/54/1073924354.db2.gz QDBOAGAWTPEHCR-MRXNPFEDSA-N 1 0 376.457 -0.237 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419358733 1073923929 /nfs/dbraw/zinc/92/39/29/1073923929.db2.gz KNJPEBWKBJNAHB-CYBMUJFWSA-N 1 0 395.891 -0.184 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419358734 1073924504 /nfs/dbraw/zinc/92/45/04/1073924504.db2.gz KNJPEBWKBJNAHB-ZDUSSCGKSA-N 1 0 395.891 -0.184 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419358755 1072523907 /nfs/dbraw/zinc/52/39/07/1072523907.db2.gz KPEYGQYRFQXJDZ-UHFFFAOYSA-N 1 0 395.891 -0.217 20 0 GBADRO CC(C)(C)C(=O)NCCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419358772 1073923784 /nfs/dbraw/zinc/92/37/84/1073923784.db2.gz KQRXOJRCKHNKNA-LLVKDONJSA-N 1 0 395.426 -0.783 20 0 GBADRO CC(C)(C)C(=O)NCCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419358775 1073923868 /nfs/dbraw/zinc/92/38/68/1073923868.db2.gz KQRXOJRCKHNKNA-NSHDSACASA-N 1 0 395.426 -0.783 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000419359737 1073923835 /nfs/dbraw/zinc/92/38/35/1073923835.db2.gz MMNNVOQAHQGHKQ-AWEZNQCLSA-N 1 0 393.875 -0.336 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000419359738 1073924219 /nfs/dbraw/zinc/92/42/19/1073924219.db2.gz MMNNVOQAHQGHKQ-CQSZACIVSA-N 1 0 393.875 -0.336 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419359815 1073924463 /nfs/dbraw/zinc/92/44/63/1073924463.db2.gz MNLPCBMKXFXFFH-UHFFFAOYSA-N 1 0 395.891 -0.170 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419360126 1073924881 /nfs/dbraw/zinc/92/48/81/1073924881.db2.gz NDTWQKXBMDMRNU-UHFFFAOYSA-N 1 0 395.891 -0.170 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419361198 1073926269 /nfs/dbraw/zinc/92/62/69/1073926269.db2.gz OASIVSUBWYQSEN-CYBMUJFWSA-N 1 0 395.891 -0.042 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419361201 1073926750 /nfs/dbraw/zinc/92/67/50/1073926750.db2.gz OASIVSUBWYQSEN-ZDUSSCGKSA-N 1 0 395.891 -0.042 20 0 GBADRO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000419361524 1073926392 /nfs/dbraw/zinc/92/63/92/1073926392.db2.gz SWVVTFLIRPLGKI-UHFFFAOYSA-N 1 0 384.440 -0.300 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419363101 1073927377 /nfs/dbraw/zinc/92/73/77/1073927377.db2.gz QLRPPXATAXLIRG-UHFFFAOYSA-N 1 0 395.891 -0.042 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000419363158 1073927641 /nfs/dbraw/zinc/92/76/41/1073927641.db2.gz VCDUMIVSALQNIP-INIZCTEOSA-N 1 0 378.473 -0.138 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000419363159 1073927296 /nfs/dbraw/zinc/92/72/96/1073927296.db2.gz VCDUMIVSALQNIP-MRXNPFEDSA-N 1 0 378.473 -0.138 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419364672 1073927482 /nfs/dbraw/zinc/92/74/82/1073927482.db2.gz SBWXTPKVLDGVMJ-UHFFFAOYSA-N 1 0 395.891 -0.040 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419365918 1073928743 /nfs/dbraw/zinc/92/87/43/1073928743.db2.gz UJWABGYGZLUNBI-CYBMUJFWSA-N 1 0 395.891 -0.090 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419365919 1073928290 /nfs/dbraw/zinc/92/82/90/1073928290.db2.gz UJWABGYGZLUNBI-ZDUSSCGKSA-N 1 0 395.891 -0.090 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000419366018 1073928340 /nfs/dbraw/zinc/92/83/40/1073928340.db2.gz YFNJJRDMUMCSGI-CABCVRRESA-N 1 0 388.468 -0.018 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000419366019 1073928502 /nfs/dbraw/zinc/92/85/02/1073928502.db2.gz YFNJJRDMUMCSGI-GJZGRUSLSA-N 1 0 388.468 -0.018 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000419366020 1073928708 /nfs/dbraw/zinc/92/87/08/1073928708.db2.gz YFNJJRDMUMCSGI-HUUCEWRRSA-N 1 0 388.468 -0.018 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000419366021 1073928471 /nfs/dbraw/zinc/92/84/71/1073928471.db2.gz YFNJJRDMUMCSGI-LSDHHAIUSA-N 1 0 388.468 -0.018 20 0 GBADRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000419366491 1073928587 /nfs/dbraw/zinc/92/85/87/1073928587.db2.gz YXXXOSBFBXOJKG-SECBINFHSA-N 1 0 382.339 -0.482 20 0 GBADRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000419366494 1073928826 /nfs/dbraw/zinc/92/88/26/1073928826.db2.gz YXXXOSBFBXOJKG-VIFPVBQESA-N 1 0 382.339 -0.482 20 0 GBADRO COCc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419367025 1073928783 /nfs/dbraw/zinc/92/87/83/1073928783.db2.gz ZXGZEJWMCDUMMZ-INIZCTEOSA-N 1 0 376.457 -0.237 20 0 GBADRO COCc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419367026 1073928775 /nfs/dbraw/zinc/92/87/75/1073928775.db2.gz ZXGZEJWMCDUMMZ-MRXNPFEDSA-N 1 0 376.457 -0.237 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000419367432 1073928670 /nfs/dbraw/zinc/92/86/70/1073928670.db2.gz XENVPQMXUCOYBX-UHFFFAOYSA-N 1 0 381.864 -0.478 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419367615 1073928200 /nfs/dbraw/zinc/92/82/00/1073928200.db2.gz DHYBDQZKIFSOBI-UHFFFAOYSA-N 1 0 375.473 -0.746 20 0 GBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419371841 1073929595 /nfs/dbraw/zinc/92/95/95/1073929595.db2.gz FFLZVJHXFXCNGX-DOMZBBRYSA-N 1 0 376.457 -0.066 20 0 GBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419371842 1073929335 /nfs/dbraw/zinc/92/93/35/1073929335.db2.gz FFLZVJHXFXCNGX-IUODEOHRSA-N 1 0 376.457 -0.066 20 0 GBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419371843 1073929265 /nfs/dbraw/zinc/92/92/65/1073929265.db2.gz FFLZVJHXFXCNGX-SWLSCSKDSA-N 1 0 376.457 -0.066 20 0 GBADRO CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419371844 1073929657 /nfs/dbraw/zinc/92/96/57/1073929657.db2.gz FFLZVJHXFXCNGX-WFASDCNBSA-N 1 0 376.457 -0.066 20 0 GBADRO Cc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N2CCOCC2)c1 ZINC000419372975 1073931464 /nfs/dbraw/zinc/93/14/64/1073931464.db2.gz NHFNOMPZOIOKOF-MSOLQXFVSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)N2CCOCC2)c1 ZINC000419372976 1073931707 /nfs/dbraw/zinc/93/17/07/1073931707.db2.gz NHFNOMPZOIOKOF-QZTJIDSGSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N2CCOCC2)c1 ZINC000419372977 1073931717 /nfs/dbraw/zinc/93/17/17/1073931717.db2.gz NHFNOMPZOIOKOF-ROUUACIJSA-N 1 0 390.484 -0.329 20 0 GBADRO Cc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)N2CCOCC2)c1 ZINC000419372978 1073931673 /nfs/dbraw/zinc/93/16/73/1073931673.db2.gz NHFNOMPZOIOKOF-ZWKOTPCHSA-N 1 0 390.484 -0.329 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419373126 1073931527 /nfs/dbraw/zinc/93/15/27/1073931527.db2.gz NOAFQUCTGWJQFI-UHFFFAOYSA-N 1 0 389.500 -0.356 20 0 GBADRO Cc1cccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N2CCOCC2)c1 ZINC000419373858 1073931451 /nfs/dbraw/zinc/93/14/51/1073931451.db2.gz OUPFVKRRNADTOU-KRWDZBQOSA-N 1 0 378.473 -0.736 20 0 GBADRO Cc1cccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N2CCOCC2)c1 ZINC000419373859 1073931579 /nfs/dbraw/zinc/93/15/79/1073931579.db2.gz OUPFVKRRNADTOU-QGZVFWFLSA-N 1 0 378.473 -0.736 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000419373984 1073930349 /nfs/dbraw/zinc/93/03/49/1073930349.db2.gz PAUQHQGWHCNNIW-INIZCTEOSA-N 1 0 398.891 -0.391 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000419373986 1073930721 /nfs/dbraw/zinc/93/07/21/1073930721.db2.gz PAUQHQGWHCNNIW-MRXNPFEDSA-N 1 0 398.891 -0.391 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419376252 1073931868 /nfs/dbraw/zinc/93/18/68/1073931868.db2.gz AWQKZWHDAPIUEA-HNNXBMFYSA-N 1 0 396.513 -0.705 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419376288 1073931683 /nfs/dbraw/zinc/93/16/83/1073931683.db2.gz AWQKZWHDAPIUEA-OAHLLOKOSA-N 1 0 396.513 -0.705 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419376949 1073932705 /nfs/dbraw/zinc/93/27/05/1073932705.db2.gz AFKQPGOKHVRIKM-CABCVRRESA-N 1 0 394.497 -0.046 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000419377977 1073932452 /nfs/dbraw/zinc/93/24/52/1073932452.db2.gz CNGDDIIWVXVEDK-GXTWGEPZSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000419377978 1073932863 /nfs/dbraw/zinc/93/28/63/1073932863.db2.gz CNGDDIIWVXVEDK-JSGCOSHPSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000419377979 1073933510 /nfs/dbraw/zinc/93/35/10/1073933510.db2.gz CNGDDIIWVXVEDK-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000419377980 1073933656 /nfs/dbraw/zinc/93/36/56/1073933656.db2.gz CNGDDIIWVXVEDK-TZMCWYRMSA-N 1 0 382.486 -0.203 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419378110 1073932866 /nfs/dbraw/zinc/93/28/66/1073932866.db2.gz CWXCXMLANQUWLS-HNNXBMFYSA-N 1 0 393.875 -0.417 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419378111 1073932337 /nfs/dbraw/zinc/93/23/37/1073932337.db2.gz CWXCXMLANQUWLS-OAHLLOKOSA-N 1 0 393.875 -0.417 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419379164 1073933674 /nfs/dbraw/zinc/93/36/74/1073933674.db2.gz FIWXWTCWSFPSRV-AWEZNQCLSA-N 1 0 382.486 -0.059 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419379165 1073933424 /nfs/dbraw/zinc/93/34/24/1073933424.db2.gz FIWXWTCWSFPSRV-CQSZACIVSA-N 1 0 382.486 -0.059 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000419380833 1073932899 /nfs/dbraw/zinc/93/28/99/1073932899.db2.gz HJRLIWQSJZEJQY-AWEZNQCLSA-N 1 0 382.486 -0.189 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000419380835 1073932832 /nfs/dbraw/zinc/93/28/32/1073932832.db2.gz HJRLIWQSJZEJQY-CQSZACIVSA-N 1 0 382.486 -0.189 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419380891 1073935706 /nfs/dbraw/zinc/93/57/06/1073935706.db2.gz HLZCGCJZPARHNI-HIFRSBDPSA-N 1 0 380.470 -0.579 20 0 GBADRO CCC(O)(CC)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419381020 1073935464 /nfs/dbraw/zinc/93/54/64/1073935464.db2.gz CALHAEOULJHHPP-GFCCVEGCSA-N 1 0 382.427 -0.004 20 0 GBADRO CCC(O)(CC)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419381021 1073935226 /nfs/dbraw/zinc/93/52/26/1073935226.db2.gz CALHAEOULJHHPP-LBPRGKRZSA-N 1 0 382.427 -0.004 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419381336 1073935394 /nfs/dbraw/zinc/93/53/94/1073935394.db2.gz YHKCAIJTXBRKDC-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419381337 1073935317 /nfs/dbraw/zinc/93/53/17/1073935317.db2.gz YHKCAIJTXBRKDC-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419381339 1073935432 /nfs/dbraw/zinc/93/54/32/1073935432.db2.gz YHKCAIJTXBRKDC-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419381341 1073935384 /nfs/dbraw/zinc/93/53/84/1073935384.db2.gz YHKCAIJTXBRKDC-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO O=C(NCC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419381434 1073936164 /nfs/dbraw/zinc/93/61/64/1073936164.db2.gz WAEVEEQULHDAFO-CVEARBPZSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419381435 1073936054 /nfs/dbraw/zinc/93/60/54/1073936054.db2.gz WAEVEEQULHDAFO-HOTGVXAUSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419381436 1073936594 /nfs/dbraw/zinc/93/65/94/1073936594.db2.gz WAEVEEQULHDAFO-HZPDHXFCSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(NCC[C@H]1CCCCO1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419381437 1073936500 /nfs/dbraw/zinc/93/65/00/1073936500.db2.gz WAEVEEQULHDAFO-JKSUJKDBSA-N 1 0 380.489 -0.268 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419381829 1073933796 /nfs/dbraw/zinc/93/37/96/1073933796.db2.gz YSHORSQEUSZYGQ-DLBZAZTESA-N 1 0 387.484 -0.780 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419382921 1073937638 /nfs/dbraw/zinc/93/76/38/1073937638.db2.gz JYQUOBYNQAKROZ-CHWSQXEVSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419382923 1073937485 /nfs/dbraw/zinc/93/74/85/1073937485.db2.gz JYQUOBYNQAKROZ-OLZOCXBDSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419382925 1073937284 /nfs/dbraw/zinc/93/72/84/1073937284.db2.gz JYQUOBYNQAKROZ-QWHCGFSZSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419382927 1073938490 /nfs/dbraw/zinc/93/84/90/1073938490.db2.gz JYQUOBYNQAKROZ-STQMWFEESA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000419383544 1073937481 /nfs/dbraw/zinc/93/74/81/1073937481.db2.gz KYGUVWLKXXRFOS-DOMZBBRYSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000419383545 1073937660 /nfs/dbraw/zinc/93/76/60/1073937660.db2.gz KYGUVWLKXXRFOS-IUODEOHRSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000419383546 1073937440 /nfs/dbraw/zinc/93/74/40/1073937440.db2.gz KYGUVWLKXXRFOS-SWLSCSKDSA-N 1 0 382.486 -0.285 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000419383547 1073937428 /nfs/dbraw/zinc/93/74/28/1073937428.db2.gz KYGUVWLKXXRFOS-WFASDCNBSA-N 1 0 382.486 -0.285 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000419383582 1073937179 /nfs/dbraw/zinc/93/71/79/1073937179.db2.gz LCTCPEVBHLVEFE-UHFFFAOYSA-N 1 0 398.529 -0.736 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419384608 1073938180 /nfs/dbraw/zinc/93/81/80/1073938180.db2.gz BDWGIDLRZARDAE-AWEZNQCLSA-N 1 0 396.513 -0.086 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419384621 1073938637 /nfs/dbraw/zinc/93/86/37/1073938637.db2.gz BDWGIDLRZARDAE-CQSZACIVSA-N 1 0 396.513 -0.086 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384929 1073939523 /nfs/dbraw/zinc/93/95/23/1073939523.db2.gz KXCOMNYJBNHTET-KBPBESRZSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384930 1073939429 /nfs/dbraw/zinc/93/94/29/1073939429.db2.gz KXCOMNYJBNHTET-KGLIPLIRSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384931 1073939471 /nfs/dbraw/zinc/93/94/71/1073939471.db2.gz KXCOMNYJBNHTET-UONOGXRCSA-N 1 0 380.832 -0.334 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419384932 1073939682 /nfs/dbraw/zinc/93/96/82/1073939682.db2.gz KXCOMNYJBNHTET-ZIAGYGMSSA-N 1 0 380.832 -0.334 20 0 GBADRO CCOCCC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419385302 1073938468 /nfs/dbraw/zinc/93/84/68/1073938468.db2.gz NUULUKMTNYJSGG-INIZCTEOSA-N 1 0 394.516 -0.020 20 0 GBADRO CCOCCC1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419385303 1073938453 /nfs/dbraw/zinc/93/84/53/1073938453.db2.gz NUULUKMTNYJSGG-MRXNPFEDSA-N 1 0 394.516 -0.020 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000419385328 1073938386 /nfs/dbraw/zinc/93/83/86/1073938386.db2.gz OAAGCPISHNJOMA-AWEZNQCLSA-N 1 0 382.486 -0.141 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419385329 1073938225 /nfs/dbraw/zinc/93/82/25/1073938225.db2.gz OAAGCPISHNJOMA-CQSZACIVSA-N 1 0 382.486 -0.141 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419386678 1073939408 /nfs/dbraw/zinc/93/94/08/1073939408.db2.gz PSUAKURKEISXSV-UHFFFAOYSA-N 1 0 382.486 -0.189 20 0 GBADRO CN(C)c1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419388156 1073939304 /nfs/dbraw/zinc/93/93/04/1073939304.db2.gz GIVKSQCHYFXQDN-HNNXBMFYSA-N 1 0 390.488 -0.390 20 0 GBADRO CN(C)c1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419388159 1073939323 /nfs/dbraw/zinc/93/93/23/1073939323.db2.gz GIVKSQCHYFXQDN-OAHLLOKOSA-N 1 0 390.488 -0.390 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419388707 1073939614 /nfs/dbraw/zinc/93/96/14/1073939614.db2.gz BWIRJGMWODERQI-MSOLQXFVSA-N 1 0 392.500 -0.438 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419388708 1073939508 /nfs/dbraw/zinc/93/95/08/1073939508.db2.gz BWIRJGMWODERQI-QZTJIDSGSA-N 1 0 392.500 -0.438 20 0 GBADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419388709 1073939566 /nfs/dbraw/zinc/93/95/66/1073939566.db2.gz BWIRJGMWODERQI-ROUUACIJSA-N 1 0 392.500 -0.438 20 0 GBADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419388710 1073939443 /nfs/dbraw/zinc/93/94/43/1073939443.db2.gz BWIRJGMWODERQI-ZWKOTPCHSA-N 1 0 392.500 -0.438 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000419389535 1073939538 /nfs/dbraw/zinc/93/95/38/1073939538.db2.gz TVDPLGVKEQJFFI-GASCZTMLSA-N 1 0 394.497 -0.046 20 0 GBADRO O=C(NCc1cc(F)ccc1N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419390572 1073940687 /nfs/dbraw/zinc/94/06/87/1073940687.db2.gz VJLXPFACGNODDR-GASCZTMLSA-N 1 0 376.432 -0.044 20 0 GBADRO CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000419391318 1073942248 /nfs/dbraw/zinc/94/22/48/1073942248.db2.gz JTJZPMBDGBUEBW-HNNXBMFYSA-N 1 0 390.488 -0.390 20 0 GBADRO CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000419391319 1073942163 /nfs/dbraw/zinc/94/21/63/1073942163.db2.gz JTJZPMBDGBUEBW-OAHLLOKOSA-N 1 0 390.488 -0.390 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000419391832 1073940171 /nfs/dbraw/zinc/94/01/71/1073940171.db2.gz RTTXCFUDZRUPLT-KBPBESRZSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000419391833 1073940727 /nfs/dbraw/zinc/94/07/27/1073940727.db2.gz RTTXCFUDZRUPLT-KGLIPLIRSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000419391834 1073940664 /nfs/dbraw/zinc/94/06/64/1073940664.db2.gz RTTXCFUDZRUPLT-UONOGXRCSA-N 1 0 380.832 -0.252 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000419391835 1073940268 /nfs/dbraw/zinc/94/02/68/1073940268.db2.gz RTTXCFUDZRUPLT-ZIAGYGMSSA-N 1 0 380.832 -0.252 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419391837 1073940729 /nfs/dbraw/zinc/94/07/29/1073940729.db2.gz RULRTRWOAKWYHH-KFWWJZLASA-N 1 0 379.482 -0.049 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419391838 1073940567 /nfs/dbraw/zinc/94/05/67/1073940567.db2.gz RULRTRWOAKWYHH-SOUVJXGZSA-N 1 0 379.482 -0.049 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419391928 1073952035 /nfs/dbraw/zinc/95/20/35/1073952035.db2.gz XSBGIUUSSCVQTL-BETUJISGSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000419391929 1073951797 /nfs/dbraw/zinc/95/17/97/1073951797.db2.gz XSBGIUUSSCVQTL-CHWSQXEVSA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419391930 1073952083 /nfs/dbraw/zinc/95/20/83/1073952083.db2.gz XSBGIUUSSCVQTL-STQMWFEESA-N 1 0 382.486 -0.190 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000419392304 1073952937 /nfs/dbraw/zinc/95/29/37/1073952937.db2.gz YFRUQQMQAJARHB-GXTWGEPZSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000419392306 1073952765 /nfs/dbraw/zinc/95/27/65/1073952765.db2.gz YFRUQQMQAJARHB-JSGCOSHPSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000419392308 1073952837 /nfs/dbraw/zinc/95/28/37/1073952837.db2.gz YFRUQQMQAJARHB-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000419392310 1073952720 /nfs/dbraw/zinc/95/27/20/1073952720.db2.gz YFRUQQMQAJARHB-TZMCWYRMSA-N 1 0 382.486 -0.203 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419392385 1073952700 /nfs/dbraw/zinc/95/27/00/1073952700.db2.gz SJKBLXOUQVZJTG-AWEZNQCLSA-N 1 0 382.848 -0.086 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000419392386 1073952819 /nfs/dbraw/zinc/95/28/19/1073952819.db2.gz SJKBLXOUQVZJTG-CQSZACIVSA-N 1 0 382.848 -0.086 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000419392464 1073952610 /nfs/dbraw/zinc/95/26/10/1073952610.db2.gz LBPBLPGLDJPIKP-DLBZAZTESA-N 1 0 381.436 -0.119 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000419392649 1073952822 /nfs/dbraw/zinc/95/28/22/1073952822.db2.gz YYDCKSCLLKUJDF-DOMZBBRYSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000419392650 1073952856 /nfs/dbraw/zinc/95/28/56/1073952856.db2.gz YYDCKSCLLKUJDF-IUODEOHRSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000419392651 1073952876 /nfs/dbraw/zinc/95/28/76/1073952876.db2.gz YYDCKSCLLKUJDF-SWLSCSKDSA-N 1 0 382.486 -0.142 20 0 GBADRO CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000419392652 1073952684 /nfs/dbraw/zinc/95/26/84/1073952684.db2.gz YYDCKSCLLKUJDF-WFASDCNBSA-N 1 0 382.486 -0.142 20 0 GBADRO COc1cc(OC)cc(OCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000419394771 1073952434 /nfs/dbraw/zinc/95/24/34/1073952434.db2.gz AMKQVPWJLJQVEG-INIZCTEOSA-N 1 0 381.429 -0.225 20 0 GBADRO COc1cc(OC)cc(OCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000419394772 1073952854 /nfs/dbraw/zinc/95/28/54/1073952854.db2.gz AMKQVPWJLJQVEG-MRXNPFEDSA-N 1 0 381.429 -0.225 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419395744 1073972544 /nfs/dbraw/zinc/97/25/44/1073972544.db2.gz YRADLOVXIJQFPK-KBPBESRZSA-N 1 0 383.470 -0.540 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419395747 1073972603 /nfs/dbraw/zinc/97/26/03/1073972603.db2.gz YRADLOVXIJQFPK-KGLIPLIRSA-N 1 0 383.470 -0.540 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419395750 1073972447 /nfs/dbraw/zinc/97/24/47/1073972447.db2.gz YRADLOVXIJQFPK-UONOGXRCSA-N 1 0 383.470 -0.540 20 0 GBADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419395753 1073972400 /nfs/dbraw/zinc/97/24/00/1073972400.db2.gz YRADLOVXIJQFPK-ZIAGYGMSSA-N 1 0 383.470 -0.540 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C(F)(F)F)cn2)CCO1 ZINC000419395773 1073974540 /nfs/dbraw/zinc/97/45/40/1073974540.db2.gz BUECMBMLBKRGRZ-LLVKDONJSA-N 1 0 376.335 -0.219 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C(F)(F)F)cn2)CCO1 ZINC000419395776 1073971773 /nfs/dbraw/zinc/97/17/73/1073971773.db2.gz BUECMBMLBKRGRZ-NSHDSACASA-N 1 0 376.335 -0.219 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419396683 1073982588 /nfs/dbraw/zinc/98/25/88/1073982588.db2.gz SQQXIMUONUQDPL-AWEZNQCLSA-N 1 0 396.513 -0.072 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419396684 1073982616 /nfs/dbraw/zinc/98/26/16/1073982616.db2.gz SQQXIMUONUQDPL-CQSZACIVSA-N 1 0 396.513 -0.072 20 0 GBADRO Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419396948 1072161535 /nfs/dbraw/zinc/16/15/35/1072161535.db2.gz TXGUQAHQJYMSPH-HOTGVXAUSA-N 1 0 375.404 -0.273 20 0 GBADRO CCC(O)(CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419397643 1072161252 /nfs/dbraw/zinc/16/12/52/1072161252.db2.gz YFGIRUKWGSCKFK-HNNXBMFYSA-N 1 0 382.505 -0.286 20 0 GBADRO CCC(O)(CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419397644 1072161213 /nfs/dbraw/zinc/16/12/13/1072161213.db2.gz YFGIRUKWGSCKFK-OAHLLOKOSA-N 1 0 382.505 -0.286 20 0 GBADRO CN1CCO[C@@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397672 1072161101 /nfs/dbraw/zinc/16/11/01/1072161101.db2.gz YHVQQJQDUPLNLQ-CVEARBPZSA-N 1 0 398.891 -0.393 20 0 GBADRO CN1CCO[C@H]([C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397673 1072159667 /nfs/dbraw/zinc/15/96/67/1072159667.db2.gz YHVQQJQDUPLNLQ-HOTGVXAUSA-N 1 0 398.891 -0.393 20 0 GBADRO CN1CCO[C@@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397674 1072158719 /nfs/dbraw/zinc/15/87/19/1072158719.db2.gz YHVQQJQDUPLNLQ-HZPDHXFCSA-N 1 0 398.891 -0.393 20 0 GBADRO CN1CCO[C@H]([C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000419397675 1072158654 /nfs/dbraw/zinc/15/86/54/1072158654.db2.gz YHVQQJQDUPLNLQ-JKSUJKDBSA-N 1 0 398.891 -0.393 20 0 GBADRO 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O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000419398205 1072162360 /nfs/dbraw/zinc/16/23/60/1072162360.db2.gz YZWKDNAJVUQKNF-RWMBFGLXSA-N 1 0 378.395 -0.378 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CCO1 ZINC000419398650 1072162161 /nfs/dbraw/zinc/16/21/61/1072162161.db2.gz IFYCMALIJOFDOZ-DLBZAZTESA-N 1 0 392.525 -0.094 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CCO1 ZINC000419398651 1072162263 /nfs/dbraw/zinc/16/22/63/1072162263.db2.gz IFYCMALIJOFDOZ-IAGOWNOFSA-N 1 0 392.525 -0.094 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CCO1 ZINC000419398652 1072162334 /nfs/dbraw/zinc/16/23/34/1072162334.db2.gz IFYCMALIJOFDOZ-IRXDYDNUSA-N 1 0 392.525 -0.094 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CCO1 ZINC000419398653 1072162460 /nfs/dbraw/zinc/16/24/60/1072162460.db2.gz IFYCMALIJOFDOZ-SJORKVTESA-N 1 0 392.525 -0.094 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419399001 1072162560 /nfs/dbraw/zinc/16/25/60/1072162560.db2.gz YDLYBPCOBSPYNV-UHFFFAOYSA-N 1 0 394.497 -0.365 20 0 GBADRO O=C(NCCOc1ccc(C(F)(F)F)cn1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419399122 1072161975 /nfs/dbraw/zinc/16/19/75/1072161975.db2.gz IHCCSOFZTXMWAJ-UHFFFAOYSA-N 1 0 389.378 -0.383 20 0 GBADRO CN(C(=O)C(=O)NCCOc1ccc(C(F)(F)F)cn1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419399912 1072162491 /nfs/dbraw/zinc/16/24/91/1072162491.db2.gz JKXDVDLPOSDTAG-QWRGUYRKSA-N 1 0 376.335 -0.614 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000419400905 1072161986 /nfs/dbraw/zinc/16/19/86/1072161986.db2.gz NYUUDJXFBKXGJR-CVEARBPZSA-N 1 0 382.411 -0.068 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000419400906 1072162149 /nfs/dbraw/zinc/16/21/49/1072162149.db2.gz NYUUDJXFBKXGJR-HOTGVXAUSA-N 1 0 382.411 -0.068 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000419400907 1072162578 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RJQUYUAFNZQORL-KKUMJFAQSA-N 1 0 384.477 -0.857 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H]1CCCO1 ZINC000419403136 1072162416 /nfs/dbraw/zinc/16/24/16/1072162416.db2.gz RJQUYUAFNZQORL-QLFBSQMISA-N 1 0 384.477 -0.857 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H]1CCCO1 ZINC000419403137 1072162522 /nfs/dbraw/zinc/16/25/22/1072162522.db2.gz RJQUYUAFNZQORL-SOUVJXGZSA-N 1 0 384.477 -0.857 20 0 GBADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419403232 530348780 /nfs/dbraw/zinc/34/87/80/530348780.db2.gz PTGSOMAZCTVMGP-JTQLQIEISA-N 1 0 377.228 -0.012 20 0 GBADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419403234 530348684 /nfs/dbraw/zinc/34/86/84/530348684.db2.gz PTGSOMAZCTVMGP-SNVBAGLBSA-N 1 0 377.228 -0.012 20 0 GBADRO COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000419403778 1072162132 /nfs/dbraw/zinc/16/21/32/1072162132.db2.gz QUSVLAMVFBCSMN-INIZCTEOSA-N 1 0 381.429 -0.307 20 0 GBADRO COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000419403779 1072162366 /nfs/dbraw/zinc/16/23/66/1072162366.db2.gz QUSVLAMVFBCSMN-MRXNPFEDSA-N 1 0 381.429 -0.307 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419404255 1072161959 /nfs/dbraw/zinc/16/19/59/1072161959.db2.gz SRALVFLTRMQYMW-INIZCTEOSA-N 1 0 380.514 -0.500 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419404256 1072162424 /nfs/dbraw/zinc/16/24/24/1072162424.db2.gz SRALVFLTRMQYMW-MRXNPFEDSA-N 1 0 380.514 -0.500 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419404325 1072162540 /nfs/dbraw/zinc/16/25/40/1072162540.db2.gz SZNNPXJUPAGDAK-DLBZAZTESA-N 1 0 392.525 -0.175 20 0 GBADRO O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419404327 1072162525 /nfs/dbraw/zinc/16/25/25/1072162525.db2.gz SZNNPXJUPAGDAK-IAGOWNOFSA-N 1 0 392.525 -0.175 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419404329 1072162088 /nfs/dbraw/zinc/16/20/88/1072162088.db2.gz SZNNPXJUPAGDAK-IRXDYDNUSA-N 1 0 392.525 -0.175 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419404493 1072162009 /nfs/dbraw/zinc/16/20/09/1072162009.db2.gz SZNNPXJUPAGDAK-SJORKVTESA-N 1 0 392.525 -0.175 20 0 GBADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NCCN1CC[NH2+]CC1 ZINC000419405134 530348784 /nfs/dbraw/zinc/34/87/84/530348784.db2.gz SBVNKLOERHBNBH-UHFFFAOYSA-N 1 0 390.271 -0.095 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)c1ccccc1 ZINC000419405503 1072161952 /nfs/dbraw/zinc/16/19/52/1072161952.db2.gz HREXVSBJXBQYLM-CVEARBPZSA-N 1 0 389.500 -0.059 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)c1ccccc1 ZINC000419405505 1072162202 /nfs/dbraw/zinc/16/22/02/1072162202.db2.gz HREXVSBJXBQYLM-HOTGVXAUSA-N 1 0 389.500 -0.059 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)c1ccccc1 ZINC000419405506 1072162478 /nfs/dbraw/zinc/16/24/78/1072162478.db2.gz HREXVSBJXBQYLM-HZPDHXFCSA-N 1 0 389.500 -0.059 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)c1ccccc1 ZINC000419405508 1072162502 /nfs/dbraw/zinc/16/25/02/1072162502.db2.gz HREXVSBJXBQYLM-JKSUJKDBSA-N 1 0 389.500 -0.059 20 0 GBADRO COc1cc(OC)cc(OCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419409088 1072164582 /nfs/dbraw/zinc/16/45/82/1072164582.db2.gz YRPVXPXRHAVZTP-UHFFFAOYSA-N 1 0 380.445 -0.780 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000419410398 1072164414 /nfs/dbraw/zinc/16/44/14/1072164414.db2.gz AJCHGLISGOFAOP-UHFFFAOYSA-N 1 0 382.486 -0.011 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)O1 ZINC000419411710 1072164431 /nfs/dbraw/zinc/16/44/31/1072164431.db2.gz IBSXEFBEZPNNRV-OGQKDESGSA-N 1 0 378.473 -0.595 20 0 GBADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)O1 ZINC000419411711 1072164219 /nfs/dbraw/zinc/16/42/19/1072164219.db2.gz IBSXEFBEZPNNRV-SDBWEGMWSA-N 1 0 378.473 -0.595 20 0 GBADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)O1 ZINC000419411712 1072164575 /nfs/dbraw/zinc/16/45/75/1072164575.db2.gz IBSXEFBEZPNNRV-URFOAQBISA-N 1 0 378.473 -0.595 20 0 GBADRO NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)O1 ZINC000419411713 1072164552 /nfs/dbraw/zinc/16/45/52/1072164552.db2.gz IBSXEFBEZPNNRV-XRWUMCPYSA-N 1 0 378.473 -0.595 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000419411903 1072165147 /nfs/dbraw/zinc/16/51/47/1072165147.db2.gz CGLBDIRFLNDBIQ-DOMZBBRYSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000419411904 1072165318 /nfs/dbraw/zinc/16/53/18/1072165318.db2.gz CGLBDIRFLNDBIQ-IUODEOHRSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000419411906 1072165410 /nfs/dbraw/zinc/16/54/10/1072165410.db2.gz CGLBDIRFLNDBIQ-SWLSCSKDSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000419411908 1072165326 /nfs/dbraw/zinc/16/53/26/1072165326.db2.gz CGLBDIRFLNDBIQ-WFASDCNBSA-N 1 0 382.486 -0.203 20 0 GBADRO C[C@@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@@H](C)C[N@@H+]1CCO ZINC000419412322 1072165299 /nfs/dbraw/zinc/16/52/99/1072165299.db2.gz CVXHIJNTODXNAA-CABCVRRESA-N 1 0 380.493 -0.132 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000419412336 1072165211 /nfs/dbraw/zinc/16/52/11/1072165211.db2.gz CVXHIJNTODXNAA-GJZGRUSLSA-N 1 0 380.493 -0.132 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000419412337 1072165680 /nfs/dbraw/zinc/16/56/80/1072165680.db2.gz CVXHIJNTODXNAA-HUUCEWRRSA-N 1 0 380.493 -0.132 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000419412338 1072165373 /nfs/dbraw/zinc/16/53/73/1072165373.db2.gz CVXHIJNTODXNAA-LSDHHAIUSA-N 1 0 380.493 -0.132 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000419412361 1072165136 /nfs/dbraw/zinc/16/51/36/1072165136.db2.gz CYNARJSGYHTQRY-OKILXGFUSA-N 1 0 380.470 -0.436 20 0 GBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419413074 1072165177 /nfs/dbraw/zinc/16/51/77/1072165177.db2.gz RLCLSJSATMOAQS-CVEARBPZSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000419413075 1072165102 /nfs/dbraw/zinc/16/51/02/1072165102.db2.gz RLCLSJSATMOAQS-HOTGVXAUSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419413076 1072165775 /nfs/dbraw/zinc/16/57/75/1072165775.db2.gz RLCLSJSATMOAQS-HZPDHXFCSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000419413077 1072165419 /nfs/dbraw/zinc/16/54/19/1072165419.db2.gz RLCLSJSATMOAQS-JKSUJKDBSA-N 1 0 379.505 -0.743 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncccc2Cl)C1 ZINC000419414328 1072165169 /nfs/dbraw/zinc/16/51/69/1072165169.db2.gz LUAMQAFQKSDDSG-GFCCVEGCSA-N 1 0 397.863 -0.457 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ncccc2Cl)C1 ZINC000419414332 1072165366 /nfs/dbraw/zinc/16/53/66/1072165366.db2.gz LUAMQAFQKSDDSG-LBPRGKRZSA-N 1 0 397.863 -0.457 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000419414339 1072165722 /nfs/dbraw/zinc/16/57/22/1072165722.db2.gz GSNRKTYJVGPVHV-AWEZNQCLSA-N 1 0 382.486 -0.189 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000419414341 1072165062 /nfs/dbraw/zinc/16/50/62/1072165062.db2.gz GSNRKTYJVGPVHV-CQSZACIVSA-N 1 0 382.486 -0.189 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000419415352 1072165350 /nfs/dbraw/zinc/16/53/50/1072165350.db2.gz HVQFFDBAEXFWEM-HNNXBMFYSA-N 1 0 382.486 -0.155 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000419415354 1072165446 /nfs/dbraw/zinc/16/54/46/1072165446.db2.gz HVQFFDBAEXFWEM-OAHLLOKOSA-N 1 0 382.486 -0.155 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419416559 530348789 /nfs/dbraw/zinc/34/87/89/530348789.db2.gz WNLOUOMSLODIDC-UHFFFAOYSA-N 1 0 385.262 -0.208 20 0 GBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419416595 1072165483 /nfs/dbraw/zinc/16/54/83/1072165483.db2.gz WLDUTIZOUKDNIT-INIZCTEOSA-N 1 0 379.505 -0.743 20 0 GBADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419416597 1072165240 /nfs/dbraw/zinc/16/52/40/1072165240.db2.gz WLDUTIZOUKDNIT-MRXNPFEDSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)C1 ZINC000419417694 1072165642 /nfs/dbraw/zinc/16/56/42/1072165642.db2.gz KGIGMVXMIHWELJ-CYBMUJFWSA-N 1 0 382.486 -0.202 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419417701 1072165413 /nfs/dbraw/zinc/16/54/13/1072165413.db2.gz IBNWUOMERNRZLK-NEPJUHHUSA-N 1 0 376.383 -0.660 20 0 GBADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419417705 1072165290 /nfs/dbraw/zinc/16/52/90/1072165290.db2.gz IBNWUOMERNRZLK-NWDGAFQWSA-N 1 0 376.383 -0.660 20 0 GBADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)C1 ZINC000419417708 1072165200 /nfs/dbraw/zinc/16/52/00/1072165200.db2.gz KGIGMVXMIHWELJ-ZDUSSCGKSA-N 1 0 382.486 -0.202 20 0 GBADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419417709 1072166498 /nfs/dbraw/zinc/16/64/98/1072166498.db2.gz IBNWUOMERNRZLK-RYUDHWBXSA-N 1 0 376.383 -0.660 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419417711 1072166572 /nfs/dbraw/zinc/16/65/72/1072166572.db2.gz IBNWUOMERNRZLK-VXGBXAGGSA-N 1 0 376.383 -0.660 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419418016 1072163137 /nfs/dbraw/zinc/16/31/37/1072163137.db2.gz KRMARYVIGSFEBG-DLBZAZTESA-N 1 0 391.520 -0.305 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419418025 1072163176 /nfs/dbraw/zinc/16/31/76/1072163176.db2.gz KRMARYVIGSFEBG-IAGOWNOFSA-N 1 0 391.520 -0.305 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419418026 1072163595 /nfs/dbraw/zinc/16/35/95/1072163595.db2.gz KRMARYVIGSFEBG-IRXDYDNUSA-N 1 0 391.520 -0.305 20 0 GBADRO C[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419418027 1072163162 /nfs/dbraw/zinc/16/31/62/1072163162.db2.gz KRMARYVIGSFEBG-SJORKVTESA-N 1 0 391.520 -0.305 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418395 1072163118 /nfs/dbraw/zinc/16/31/18/1072163118.db2.gz YHAUYUTYPDRBBS-DZGCQCFKSA-N 1 0 395.529 -0.220 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418399 1072163566 /nfs/dbraw/zinc/16/35/66/1072163566.db2.gz YHAUYUTYPDRBBS-HIFRSBDPSA-N 1 0 395.529 -0.220 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418402 1072163197 /nfs/dbraw/zinc/16/31/97/1072163197.db2.gz YHAUYUTYPDRBBS-UKRRQHHQSA-N 1 0 395.529 -0.220 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418405 1072163310 /nfs/dbraw/zinc/16/33/10/1072163310.db2.gz YHAUYUTYPDRBBS-ZFWWWQNUSA-N 1 0 395.529 -0.220 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419419147 1072163410 /nfs/dbraw/zinc/16/34/10/1072163410.db2.gz LZDVIKMSHKNPSI-BXUZGUMPSA-N 1 0 398.485 -0.560 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419419148 1072163446 /nfs/dbraw/zinc/16/34/46/1072163446.db2.gz LZDVIKMSHKNPSI-FZMZJTMJSA-N 1 0 398.485 -0.560 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419419149 1072163330 /nfs/dbraw/zinc/16/33/30/1072163330.db2.gz LZDVIKMSHKNPSI-RISCZKNCSA-N 1 0 398.485 -0.560 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419419150 1072163491 /nfs/dbraw/zinc/16/34/91/1072163491.db2.gz LZDVIKMSHKNPSI-SMDDNHRTSA-N 1 0 398.485 -0.560 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419420321 1072163102 /nfs/dbraw/zinc/16/31/02/1072163102.db2.gz MXSKQEXZDWKCFE-UHFFFAOYSA-N 1 0 382.848 -0.251 20 0 GBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419420629 1072163626 /nfs/dbraw/zinc/16/36/26/1072163626.db2.gz JZYDBNRPOWPOKN-CVEARBPZSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419420631 1072163505 /nfs/dbraw/zinc/16/35/05/1072163505.db2.gz JZYDBNRPOWPOKN-HOTGVXAUSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419420633 1072163255 /nfs/dbraw/zinc/16/32/55/1072163255.db2.gz JZYDBNRPOWPOKN-HZPDHXFCSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419420636 1072163207 /nfs/dbraw/zinc/16/32/07/1072163207.db2.gz JZYDBNRPOWPOKN-JKSUJKDBSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419421128 1072163298 /nfs/dbraw/zinc/16/32/98/1072163298.db2.gz LFXNQJZTZSLRFU-CABCVRRESA-N 1 0 376.461 -0.942 20 0 GBADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419421129 1072163422 /nfs/dbraw/zinc/16/34/22/1072163422.db2.gz LFXNQJZTZSLRFU-GJZGRUSLSA-N 1 0 376.461 -0.942 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419421130 1072163647 /nfs/dbraw/zinc/16/36/47/1072163647.db2.gz LFXNQJZTZSLRFU-HUUCEWRRSA-N 1 0 376.461 -0.942 20 0 GBADRO C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419421131 1072163430 /nfs/dbraw/zinc/16/34/30/1072163430.db2.gz LFXNQJZTZSLRFU-LSDHHAIUSA-N 1 0 376.461 -0.942 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000419421790 1072163152 /nfs/dbraw/zinc/16/31/52/1072163152.db2.gz WBXSJMKKFPHURY-GFCCVEGCSA-N 1 0 397.863 -0.457 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000419421791 1072163501 /nfs/dbraw/zinc/16/35/01/1072163501.db2.gz WBXSJMKKFPHURY-LBPRGKRZSA-N 1 0 397.863 -0.457 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000419422179 1072163520 /nfs/dbraw/zinc/16/35/20/1072163520.db2.gz QGSMBHKFWZJEQK-DOMZBBRYSA-N 1 0 382.486 -0.061 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000419422181 1072163113 /nfs/dbraw/zinc/16/31/13/1072163113.db2.gz QGSMBHKFWZJEQK-IUODEOHRSA-N 1 0 382.486 -0.061 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000419422183 1072163641 /nfs/dbraw/zinc/16/36/41/1072163641.db2.gz QGSMBHKFWZJEQK-SWLSCSKDSA-N 1 0 382.486 -0.061 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000419422185 1072163418 /nfs/dbraw/zinc/16/34/18/1072163418.db2.gz QGSMBHKFWZJEQK-WFASDCNBSA-N 1 0 382.486 -0.061 20 0 GBADRO NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)O1 ZINC000419422257 1072163580 /nfs/dbraw/zinc/16/35/80/1072163580.db2.gz WLIGPGZRCBGMEI-CAOSSQGBSA-N 1 0 392.431 -0.382 20 0 GBADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)O1 ZINC000419422258 1072163188 /nfs/dbraw/zinc/16/31/88/1072163188.db2.gz WLIGPGZRCBGMEI-JONQDZQNSA-N 1 0 392.431 -0.382 20 0 GBADRO NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)O1 ZINC000419422259 1072163559 /nfs/dbraw/zinc/16/35/59/1072163559.db2.gz WLIGPGZRCBGMEI-QKPAOTATSA-N 1 0 392.431 -0.382 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)O1 ZINC000419422260 1072163322 /nfs/dbraw/zinc/16/33/22/1072163322.db2.gz WLIGPGZRCBGMEI-QXSJWSMHSA-N 1 0 392.431 -0.382 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000419422649 1072163468 /nfs/dbraw/zinc/16/34/68/1072163468.db2.gz QZTUKLRAIKZNHL-GXTWGEPZSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000419422651 1072163400 /nfs/dbraw/zinc/16/34/00/1072163400.db2.gz QZTUKLRAIKZNHL-JSGCOSHPSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000419422652 1072163577 /nfs/dbraw/zinc/16/35/77/1072163577.db2.gz QZTUKLRAIKZNHL-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000419422955 1072163528 /nfs/dbraw/zinc/16/35/28/1072163528.db2.gz QZTUKLRAIKZNHL-TZMCWYRMSA-N 1 0 382.486 -0.203 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000419423103 1072163159 /nfs/dbraw/zinc/16/31/59/1072163159.db2.gz YBRLNKFFONINFK-CAOSSQGBSA-N 1 0 380.489 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000419423104 1072163128 /nfs/dbraw/zinc/16/31/28/1072163128.db2.gz YBRLNKFFONINFK-JJXSEGSLSA-N 1 0 380.489 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000419423105 1072163482 /nfs/dbraw/zinc/16/34/82/1072163482.db2.gz YBRLNKFFONINFK-JONQDZQNSA-N 1 0 380.489 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000419423106 1072163440 /nfs/dbraw/zinc/16/34/40/1072163440.db2.gz YBRLNKFFONINFK-ZJIFWQFVSA-N 1 0 380.489 -0.094 20 0 GBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419428071 1072164490 /nfs/dbraw/zinc/16/44/90/1072164490.db2.gz SOLOXUSIKYHNHO-JLJPHGGASA-N 1 0 378.448 -0.084 20 0 GBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419428074 1072164466 /nfs/dbraw/zinc/16/44/66/1072164466.db2.gz SOLOXUSIKYHNHO-UKPHBRMFSA-N 1 0 378.448 -0.084 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429511 1072164208 /nfs/dbraw/zinc/16/42/08/1072164208.db2.gz JMXHNQQOCPBQOF-DZGCQCFKSA-N 1 0 376.457 -0.010 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429512 1072164160 /nfs/dbraw/zinc/16/41/60/1072164160.db2.gz JMXHNQQOCPBQOF-HIFRSBDPSA-N 1 0 376.457 -0.010 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429513 1072164577 /nfs/dbraw/zinc/16/45/77/1072164577.db2.gz JMXHNQQOCPBQOF-UKRRQHHQSA-N 1 0 376.457 -0.010 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000419429514 1072164345 /nfs/dbraw/zinc/16/43/45/1072164345.db2.gz JMXHNQQOCPBQOF-ZFWWWQNUSA-N 1 0 376.457 -0.010 20 0 GBADRO O=C(NCCNC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419430326 530348737 /nfs/dbraw/zinc/34/87/37/530348737.db2.gz CDCXXRNJKSAKNW-GFCCVEGCSA-N 1 0 383.246 -0.227 20 0 GBADRO O=C(NCCNC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419430329 530348771 /nfs/dbraw/zinc/34/87/71/530348771.db2.gz CDCXXRNJKSAKNW-LBPRGKRZSA-N 1 0 383.246 -0.227 20 0 GBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419431640 1072164340 /nfs/dbraw/zinc/16/43/40/1072164340.db2.gz XMEAJVRIKDUIKF-RRQGHBQHSA-N 1 0 378.448 -0.084 20 0 GBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419431641 1072164092 /nfs/dbraw/zinc/16/40/92/1072164092.db2.gz XMEAJVRIKDUIKF-XOKHGSTOSA-N 1 0 378.448 -0.084 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000419434705 530348653 /nfs/dbraw/zinc/34/86/53/530348653.db2.gz JIKALRXQFVRKSR-GFCCVEGCSA-N 1 0 383.246 -0.145 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000419434707 530348914 /nfs/dbraw/zinc/34/89/14/530348914.db2.gz JIKALRXQFVRKSR-LBPRGKRZSA-N 1 0 383.246 -0.145 20 0 GBADRO O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CC[NH2+]CC1 ZINC000419435124 1072167313 /nfs/dbraw/zinc/16/73/13/1072167313.db2.gz BZRGSGHQJVTZJK-UHFFFAOYSA-N 1 0 394.497 -0.091 20 0 GBADRO O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419437545 1072167284 /nfs/dbraw/zinc/16/72/84/1072167284.db2.gz FHNIUTKAOXCDIA-HNNXBMFYSA-N 1 0 394.497 -0.045 20 0 GBADRO O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419437547 1072167692 /nfs/dbraw/zinc/16/76/92/1072167692.db2.gz FHNIUTKAOXCDIA-OAHLLOKOSA-N 1 0 394.497 -0.045 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000419438410 1072167687 /nfs/dbraw/zinc/16/76/87/1072167687.db2.gz GMPHYOVFHHYCRH-HNNXBMFYSA-N 1 0 375.473 -0.589 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH2+]CC3)C2)c1 ZINC000419438411 1072167661 /nfs/dbraw/zinc/16/76/61/1072167661.db2.gz GMPHYOVFHHYCRH-OAHLLOKOSA-N 1 0 375.473 -0.589 20 0 GBADRO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419439088 1072167297 /nfs/dbraw/zinc/16/72/97/1072167297.db2.gz PJHKLKMERLRVKR-CYBMUJFWSA-N 1 0 384.864 -0.177 20 0 GBADRO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419439089 1072167275 /nfs/dbraw/zinc/16/72/75/1072167275.db2.gz PJHKLKMERLRVKR-ZDUSSCGKSA-N 1 0 384.864 -0.177 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])CC(F)(F)F ZINC000419439187 1072167198 /nfs/dbraw/zinc/16/71/98/1072167198.db2.gz IXXTZSAHRZJTMN-GFCCVEGCSA-N 1 0 395.426 -0.557 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])CC(F)(F)F ZINC000419439188 1072167677 /nfs/dbraw/zinc/16/76/77/1072167677.db2.gz IXXTZSAHRZJTMN-LBPRGKRZSA-N 1 0 395.426 -0.557 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000419439636 1072167591 /nfs/dbraw/zinc/16/75/91/1072167591.db2.gz HJBCTIALDVPFMH-PBHICJAKSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000419439639 1072167447 /nfs/dbraw/zinc/16/74/47/1072167447.db2.gz HJBCTIALDVPFMH-RHSMWYFYSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000419439641 1072167207 /nfs/dbraw/zinc/16/72/07/1072167207.db2.gz HJBCTIALDVPFMH-WMLDXEAASA-N 1 0 376.457 -0.034 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)C2)c1 ZINC000419439643 1072167169 /nfs/dbraw/zinc/16/71/69/1072167169.db2.gz HJBCTIALDVPFMH-YOEHRIQHSA-N 1 0 376.457 -0.034 20 0 GBADRO C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419440574 1072167364 /nfs/dbraw/zinc/16/73/64/1072167364.db2.gz PNTSLZQAAUCATN-BZUAXINKSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H](C[C@@H]1CCCO1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419440575 1072167340 /nfs/dbraw/zinc/16/73/40/1072167340.db2.gz PNTSLZQAAUCATN-OAGGEKHMSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419440576 1072167614 /nfs/dbraw/zinc/16/76/14/1072167614.db2.gz PNTSLZQAAUCATN-OWCLPIDISA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H](C[C@@H]1CCCO1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419440577 1072167402 /nfs/dbraw/zinc/16/74/02/1072167402.db2.gz PNTSLZQAAUCATN-PMPSAXMXSA-N 1 0 380.489 -0.269 20 0 GBADRO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419441860 1072167239 /nfs/dbraw/zinc/16/72/39/1072167239.db2.gz URYAJGWYEWIUFG-HNNXBMFYSA-N 1 0 387.484 -0.208 20 0 GBADRO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419441861 1072167303 /nfs/dbraw/zinc/16/73/03/1072167303.db2.gz URYAJGWYEWIUFG-OAHLLOKOSA-N 1 0 387.484 -0.208 20 0 GBADRO O=C(NCCNC(=O)c1cccc(Br)c1)C(=O)N1CC[NH2+]CC1 ZINC000419442326 530348859 /nfs/dbraw/zinc/34/88/59/530348859.db2.gz VBTLVPVGJAMYIK-UHFFFAOYSA-N 1 0 383.246 -0.273 20 0 GBADRO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419442369 1072167250 /nfs/dbraw/zinc/16/72/50/1072167250.db2.gz VIENDPQBQVYNFZ-HNNXBMFYSA-N 1 0 387.484 -0.208 20 0 GBADRO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419442370 1072167475 /nfs/dbraw/zinc/16/74/75/1072167475.db2.gz VIENDPQBQVYNFZ-OAHLLOKOSA-N 1 0 387.484 -0.208 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419443641 1072167181 /nfs/dbraw/zinc/16/71/81/1072167181.db2.gz BPZLYTMHPAURLO-KURKYZTESA-N 1 0 385.512 -0.009 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419443642 1072167369 /nfs/dbraw/zinc/16/73/69/1072167369.db2.gz BPZLYTMHPAURLO-OKZBNKHCSA-N 1 0 385.512 -0.009 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419443782 1072167372 /nfs/dbraw/zinc/16/73/72/1072167372.db2.gz BZSKWCLHMNLSEW-AEFFLSMTSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419443785 1072167357 /nfs/dbraw/zinc/16/73/57/1072167357.db2.gz BZSKWCLHMNLSEW-FUHWJXTLSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419443788 1072167229 /nfs/dbraw/zinc/16/72/29/1072167229.db2.gz BZSKWCLHMNLSEW-SJLPKXTDSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419443792 1072167639 /nfs/dbraw/zinc/16/76/39/1072167639.db2.gz BZSKWCLHMNLSEW-WMZOPIPTSA-N 1 0 389.500 -0.582 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419446261 1072167353 /nfs/dbraw/zinc/16/73/53/1072167353.db2.gz VGOFPZSZFRXENK-JHJVBQTASA-N 1 0 380.411 -0.130 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419446269 1072167331 /nfs/dbraw/zinc/16/73/31/1072167331.db2.gz VGOFPZSZFRXENK-UPJWGTAASA-N 1 0 380.411 -0.130 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419446270 1072167698 /nfs/dbraw/zinc/16/76/98/1072167698.db2.gz VGOFPZSZFRXENK-XQQFMLRXSA-N 1 0 380.411 -0.130 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419446271 1072167392 /nfs/dbraw/zinc/16/73/92/1072167392.db2.gz VGOFPZSZFRXENK-YNEHKIRRSA-N 1 0 380.411 -0.130 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419446354 1072167412 /nfs/dbraw/zinc/16/74/12/1072167412.db2.gz VPLNFJPARIOWFU-ARFHVFGLSA-N 1 0 380.489 -0.412 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419446355 1072167521 /nfs/dbraw/zinc/16/75/21/1072167521.db2.gz VPLNFJPARIOWFU-BZUAXINKSA-N 1 0 380.489 -0.412 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419446356 1072168468 /nfs/dbraw/zinc/16/84/68/1072168468.db2.gz VPLNFJPARIOWFU-HRCADAONSA-N 1 0 380.489 -0.412 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419446357 1072168299 /nfs/dbraw/zinc/16/82/99/1072168299.db2.gz VPLNFJPARIOWFU-OWCLPIDISA-N 1 0 380.489 -0.412 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)C1 ZINC000419448461 1072168438 /nfs/dbraw/zinc/16/84/38/1072168438.db2.gz QBPBHQWXEOXQGT-HNNXBMFYSA-N 1 0 395.504 -0.887 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)C1 ZINC000419448466 1072168272 /nfs/dbraw/zinc/16/82/72/1072168272.db2.gz QBPBHQWXEOXQGT-OAHLLOKOSA-N 1 0 395.504 -0.887 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000419448509 1072168399 /nfs/dbraw/zinc/16/83/99/1072168399.db2.gz QIZPEYHVDVBGGN-UHFFFAOYSA-N 1 0 382.486 -0.106 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCCC1 ZINC000419448676 1072168054 /nfs/dbraw/zinc/16/80/54/1072168054.db2.gz XNVJBXDGGVYPCB-GFCCVEGCSA-N 1 0 393.410 -0.933 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCCC1 ZINC000419448678 1072168581 /nfs/dbraw/zinc/16/85/81/1072168581.db2.gz XNVJBXDGGVYPCB-LBPRGKRZSA-N 1 0 393.410 -0.933 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419452226 1072168146 /nfs/dbraw/zinc/16/81/46/1072168146.db2.gz OVLONBVWEDTHJP-INIZCTEOSA-N 1 0 377.489 -0.907 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419452227 1072168229 /nfs/dbraw/zinc/16/82/29/1072168229.db2.gz OVLONBVWEDTHJP-MRXNPFEDSA-N 1 0 377.489 -0.907 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000419452568 1072168548 /nfs/dbraw/zinc/16/85/48/1072168548.db2.gz WKECSSAMAQLXQV-UHFFFAOYSA-N 1 0 382.486 -0.058 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000419452600 1072168282 /nfs/dbraw/zinc/16/82/82/1072168282.db2.gz WNTSICDJAXENAG-CYBMUJFWSA-N 1 0 382.486 -0.059 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000419452601 1072168417 /nfs/dbraw/zinc/16/84/17/1072168417.db2.gz WNTSICDJAXENAG-ZDUSSCGKSA-N 1 0 382.486 -0.059 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000419452915 1072168559 /nfs/dbraw/zinc/16/85/59/1072168559.db2.gz WWMGOBWTNMVABK-UHFFFAOYSA-N 1 0 382.486 -0.187 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419453127 1072168067 /nfs/dbraw/zinc/16/80/67/1072168067.db2.gz IUBJIDKXTZOEIL-INIZCTEOSA-N 1 0 375.473 -0.168 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419453128 1072168219 /nfs/dbraw/zinc/16/82/19/1072168219.db2.gz IUBJIDKXTZOEIL-MRXNPFEDSA-N 1 0 375.473 -0.168 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@@H]1C[NH3+] ZINC000419453601 1072168520 /nfs/dbraw/zinc/16/85/20/1072168520.db2.gz JZZKMOTYMAGSSO-CABCVRRESA-N 1 0 375.473 -0.358 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@@H]1C[NH3+] ZINC000419453602 1072168187 /nfs/dbraw/zinc/16/81/87/1072168187.db2.gz JZZKMOTYMAGSSO-GJZGRUSLSA-N 1 0 375.473 -0.358 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@H]1C[NH3+] ZINC000419453603 1072168593 /nfs/dbraw/zinc/16/85/93/1072168593.db2.gz JZZKMOTYMAGSSO-HUUCEWRRSA-N 1 0 375.473 -0.358 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@H]1C[NH3+] ZINC000419453604 1072168257 /nfs/dbraw/zinc/16/82/57/1072168257.db2.gz JZZKMOTYMAGSSO-LSDHHAIUSA-N 1 0 375.473 -0.358 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419453803 1072168583 /nfs/dbraw/zinc/16/85/83/1072168583.db2.gz KFKOAFQUXJTDTE-INIZCTEOSA-N 1 0 375.473 -0.201 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419453804 1072168484 /nfs/dbraw/zinc/16/84/84/1072168484.db2.gz KFKOAFQUXJTDTE-MRXNPFEDSA-N 1 0 375.473 -0.201 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000419454220 1072166665 /nfs/dbraw/zinc/16/66/65/1072166665.db2.gz ZFSPUCZZMNDVGU-PBHICJAKSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000419454221 1072166634 /nfs/dbraw/zinc/16/66/34/1072166634.db2.gz ZFSPUCZZMNDVGU-RHSMWYFYSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)c1 ZINC000419454222 1072166451 /nfs/dbraw/zinc/16/64/51/1072166451.db2.gz ZFSPUCZZMNDVGU-WMLDXEAASA-N 1 0 376.457 -0.115 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)c1 ZINC000419454223 1072166492 /nfs/dbraw/zinc/16/64/92/1072166492.db2.gz ZFSPUCZZMNDVGU-YOEHRIQHSA-N 1 0 376.457 -0.115 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419454423 1072166437 /nfs/dbraw/zinc/16/64/37/1072166437.db2.gz UBRGWZYEESTSKM-AEFFLSMTSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419454424 1072166278 /nfs/dbraw/zinc/16/62/78/1072166278.db2.gz UBRGWZYEESTSKM-FUHWJXTLSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419454425 1072166653 /nfs/dbraw/zinc/16/66/53/1072166653.db2.gz UBRGWZYEESTSKM-SJLPKXTDSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419454426 1072166519 /nfs/dbraw/zinc/16/65/19/1072166519.db2.gz UBRGWZYEESTSKM-WMZOPIPTSA-N 1 0 389.500 -0.501 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419454819 1072168572 /nfs/dbraw/zinc/16/85/72/1072168572.db2.gz NBXTUAZKCIMHRI-UHFFFAOYSA-N 1 0 375.473 -0.024 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419455329 1072166606 /nfs/dbraw/zinc/16/66/06/1072166606.db2.gz ORMGFCKANBGOOF-GDBMZVCRSA-N 1 0 375.473 -0.168 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419455332 1072166238 /nfs/dbraw/zinc/16/62/38/1072166238.db2.gz ORMGFCKANBGOOF-GOEBONIOSA-N 1 0 375.473 -0.168 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419455336 1072166601 /nfs/dbraw/zinc/16/66/01/1072166601.db2.gz ORMGFCKANBGOOF-HOCLYGCPSA-N 1 0 375.473 -0.168 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419455339 1072166587 /nfs/dbraw/zinc/16/65/87/1072166587.db2.gz ORMGFCKANBGOOF-ZBFHGGJFSA-N 1 0 375.473 -0.168 20 0 GBADRO O=C(NCCCN1C(=O)COc2ccccc21)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419455988 1072166479 /nfs/dbraw/zinc/16/64/79/1072166479.db2.gz YNUQTKNHNSEOLZ-CABCVRRESA-N 1 0 386.452 -0.014 20 0 GBADRO O=C(NCCCN1C(=O)COc2ccccc21)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419455989 1072166672 /nfs/dbraw/zinc/16/66/72/1072166672.db2.gz YNUQTKNHNSEOLZ-GJZGRUSLSA-N 1 0 386.452 -0.014 20 0 GBADRO O=C(NCCCN1C(=O)COc2ccccc21)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419455990 1072166433 /nfs/dbraw/zinc/16/64/33/1072166433.db2.gz YNUQTKNHNSEOLZ-HUUCEWRRSA-N 1 0 386.452 -0.014 20 0 GBADRO O=C(NCCCN1C(=O)COc2ccccc21)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419455991 1072166330 /nfs/dbraw/zinc/16/63/30/1072166330.db2.gz YNUQTKNHNSEOLZ-LSDHHAIUSA-N 1 0 386.452 -0.014 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456503 1072166614 /nfs/dbraw/zinc/16/66/14/1072166614.db2.gz SQMMXUSLEPNPQN-DZGCQCFKSA-N 1 0 391.472 -0.572 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456507 1072166527 /nfs/dbraw/zinc/16/65/27/1072166527.db2.gz SQMMXUSLEPNPQN-HIFRSBDPSA-N 1 0 391.472 -0.572 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456508 1072166188 /nfs/dbraw/zinc/16/61/88/1072166188.db2.gz SQMMXUSLEPNPQN-UKRRQHHQSA-N 1 0 391.472 -0.572 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456509 1072166558 /nfs/dbraw/zinc/16/65/58/1072166558.db2.gz SQMMXUSLEPNPQN-ZFWWWQNUSA-N 1 0 391.472 -0.572 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456607 1072166461 /nfs/dbraw/zinc/16/64/61/1072166461.db2.gz TXRPLLCHSFRTBW-GDBMZVCRSA-N 1 0 375.473 -0.073 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456608 1072166628 /nfs/dbraw/zinc/16/66/28/1072166628.db2.gz TXRPLLCHSFRTBW-GOEBONIOSA-N 1 0 375.473 -0.073 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456609 1072166297 /nfs/dbraw/zinc/16/62/97/1072166297.db2.gz TXRPLLCHSFRTBW-HOCLYGCPSA-N 1 0 375.473 -0.073 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000419456610 1072166610 /nfs/dbraw/zinc/16/66/10/1072166610.db2.gz TXRPLLCHSFRTBW-ZBFHGGJFSA-N 1 0 375.473 -0.073 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@@H]1C[NH3+] ZINC000419457470 1072166141 /nfs/dbraw/zinc/16/61/41/1072166141.db2.gz WQLXHGSIIJTYLU-GDBMZVCRSA-N 1 0 375.473 -0.216 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@@H]1C[NH3+] ZINC000419457471 1072166669 /nfs/dbraw/zinc/16/66/69/1072166669.db2.gz WQLXHGSIIJTYLU-GOEBONIOSA-N 1 0 375.473 -0.216 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@H]1C[NH3+] ZINC000419457472 1072166546 /nfs/dbraw/zinc/16/65/46/1072166546.db2.gz WQLXHGSIIJTYLU-HOCLYGCPSA-N 1 0 375.473 -0.216 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)[C@H]1C[NH3+] ZINC000419457473 1072166505 /nfs/dbraw/zinc/16/65/05/1072166505.db2.gz WQLXHGSIIJTYLU-ZBFHGGJFSA-N 1 0 375.473 -0.216 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000419465282 530348645 /nfs/dbraw/zinc/34/86/45/530348645.db2.gz SRTJZXPVMMVHAE-KBPBESRZSA-N 1 0 376.523 -0.198 20 0 GBADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)NCC2CCC2)[C@@H](C)C[N@@H+]1CCO ZINC000419465284 530348772 /nfs/dbraw/zinc/34/87/72/530348772.db2.gz SRTJZXPVMMVHAE-KGLIPLIRSA-N 1 0 376.523 -0.198 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000419465286 530348853 /nfs/dbraw/zinc/34/88/53/530348853.db2.gz SRTJZXPVMMVHAE-UONOGXRCSA-N 1 0 376.523 -0.198 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000419465288 530348825 /nfs/dbraw/zinc/34/88/25/530348825.db2.gz SRTJZXPVMMVHAE-ZIAGYGMSSA-N 1 0 376.523 -0.198 20 0 GBADRO CCc1cnccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419470163 1072169304 /nfs/dbraw/zinc/16/93/04/1072169304.db2.gz ABMOGZPBWYOESY-KRWDZBQOSA-N 1 0 387.484 -0.069 20 0 GBADRO CCc1cnccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419470165 1072169109 /nfs/dbraw/zinc/16/91/09/1072169109.db2.gz ABMOGZPBWYOESY-QGZVFWFLSA-N 1 0 387.484 -0.069 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419470749 530348931 /nfs/dbraw/zinc/34/89/31/530348931.db2.gz AZYQGNGPRQZEKX-SECBINFHSA-N 1 0 394.906 -0.336 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419470751 530348758 /nfs/dbraw/zinc/34/87/58/530348758.db2.gz AZYQGNGPRQZEKX-VIFPVBQESA-N 1 0 394.906 -0.336 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncccc2F)C1 ZINC000419473618 1072169299 /nfs/dbraw/zinc/16/92/99/1072169299.db2.gz LNLQXUSRLVTSNR-GFCCVEGCSA-N 1 0 381.408 -0.971 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ncccc2F)C1 ZINC000419473623 1072169205 /nfs/dbraw/zinc/16/92/05/1072169205.db2.gz LNLQXUSRLVTSNR-LBPRGKRZSA-N 1 0 381.408 -0.971 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCOc1ncccc1F ZINC000419474003 1072169055 /nfs/dbraw/zinc/16/90/55/1072169055.db2.gz MAFBRWVCQHCOGP-CYBMUJFWSA-N 1 0 395.435 -0.438 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ncccc1F ZINC000419474004 1072169334 /nfs/dbraw/zinc/16/93/34/1072169334.db2.gz MAFBRWVCQHCOGP-ZDUSSCGKSA-N 1 0 395.435 -0.438 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCOc2ncccc2C(F)(F)F)CCO1 ZINC000419475659 1072169249 /nfs/dbraw/zinc/16/92/49/1072169249.db2.gz OIOWNVYBNWJTNO-JTQLQIEISA-N 1 0 376.335 -0.219 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCOc2ncccc2C(F)(F)F)CCO1 ZINC000419475661 1072169035 /nfs/dbraw/zinc/16/90/35/1072169035.db2.gz OIOWNVYBNWJTNO-SNVBAGLBSA-N 1 0 376.335 -0.219 20 0 GBADRO O=C(NCCOc1ncccc1C(F)(F)F)C(=O)NCCN1CC[NH2+]CC1 ZINC000419476974 1072170328 /nfs/dbraw/zinc/17/03/28/1072170328.db2.gz QXXIJCGYAHIYKZ-UHFFFAOYSA-N 1 0 389.378 -0.383 20 0 GBADRO O=C(NCCOc1ncccc1C(F)(F)F)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419477578 1072169121 /nfs/dbraw/zinc/16/91/21/1072169121.db2.gz RMTDBJNOEIEFIK-JTQLQIEISA-N 1 0 376.335 -0.300 20 0 GBADRO O=C(NCCOc1ncccc1C(F)(F)F)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419477579 1072169994 /nfs/dbraw/zinc/16/99/94/1072169994.db2.gz RMTDBJNOEIEFIK-SNVBAGLBSA-N 1 0 376.335 -0.300 20 0 GBADRO CN(C(=O)C(=O)NCCOc1ncccc1C(F)(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC000419478904 1072170402 /nfs/dbraw/zinc/17/04/02/1072170402.db2.gz TWXAOXLPLLUPTE-QWRGUYRKSA-N 1 0 376.335 -0.614 20 0 GBADRO O=C(NCCOc1ncccc1F)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419480216 1072169912 /nfs/dbraw/zinc/16/99/12/1072169912.db2.gz WBISHTYIBYQIDF-HIFRSBDPSA-N 1 0 392.431 -0.057 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000419480782 1072170257 /nfs/dbraw/zinc/17/02/57/1072170257.db2.gz AJPSZQZNDRSGHM-ABFRBSLYSA-N 1 0 392.500 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000419480784 1072170294 /nfs/dbraw/zinc/17/02/94/1072170294.db2.gz AJPSZQZNDRSGHM-DIECFANBSA-N 1 0 392.500 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000419480788 1072170435 /nfs/dbraw/zinc/17/04/35/1072170435.db2.gz AJPSZQZNDRSGHM-XJNFMUPTSA-N 1 0 392.500 -0.094 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000419480790 1072170320 /nfs/dbraw/zinc/17/03/20/1072170320.db2.gz AJPSZQZNDRSGHM-XOSAIJSUSA-N 1 0 392.500 -0.094 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419484347 530349150 /nfs/dbraw/zinc/34/91/50/530349150.db2.gz BWOPVPMJPLFFPO-MRVPVSSYSA-N 1 0 382.895 -0.351 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419484349 530349347 /nfs/dbraw/zinc/34/93/47/530349347.db2.gz BWOPVPMJPLFFPO-QMMMGPOBSA-N 1 0 382.895 -0.351 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419484351 530349086 /nfs/dbraw/zinc/34/90/86/530349086.db2.gz BWQXREATTOSRNN-MRVPVSSYSA-N 1 0 382.895 -0.480 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419484354 530349071 /nfs/dbraw/zinc/34/90/71/530349071.db2.gz BWQXREATTOSRNN-QMMMGPOBSA-N 1 0 382.895 -0.480 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419484482 530349343 /nfs/dbraw/zinc/34/93/43/530349343.db2.gz CKTOGHKRZOAZJZ-MRVPVSSYSA-N 1 0 380.879 -0.726 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419484484 530349138 /nfs/dbraw/zinc/34/91/38/530349138.db2.gz CKTOGHKRZOAZJZ-QMMMGPOBSA-N 1 0 380.879 -0.726 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419485889 530349215 /nfs/dbraw/zinc/34/92/15/530349215.db2.gz FASXOHWSRQXDOF-SECBINFHSA-N 1 0 394.906 -0.384 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419485891 530349325 /nfs/dbraw/zinc/34/93/25/530349325.db2.gz FASXOHWSRQXDOF-VIFPVBQESA-N 1 0 394.906 -0.384 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419486192 530349302 /nfs/dbraw/zinc/34/93/02/530349302.db2.gz FERQGODBCXFJOS-UHFFFAOYSA-N 1 0 382.895 -0.478 20 0 GBADRO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C(=O)N1CC[NH2+]CC1 ZINC000419486260 1072174091 /nfs/dbraw/zinc/17/40/91/1072174091.db2.gz ZWQFDFODZWOZGZ-UHFFFAOYSA-N 1 0 394.497 -0.340 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000419486469 530349131 /nfs/dbraw/zinc/34/91/31/530349131.db2.gz ACMYVQJEWINFIK-GFCCVEGCSA-N 1 0 388.515 -0.257 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000419486470 530349235 /nfs/dbraw/zinc/34/92/35/530349235.db2.gz ACMYVQJEWINFIK-LBPRGKRZSA-N 1 0 388.515 -0.257 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419486540 530349057 /nfs/dbraw/zinc/34/90/57/530349057.db2.gz AJXUCKAQEIYTQD-NEPJUHHUSA-N 1 0 388.515 -0.224 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419486541 530349341 /nfs/dbraw/zinc/34/93/41/530349341.db2.gz AJXUCKAQEIYTQD-NWDGAFQWSA-N 1 0 388.515 -0.224 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419486544 530349188 /nfs/dbraw/zinc/34/91/88/530349188.db2.gz AJXUCKAQEIYTQD-RYUDHWBXSA-N 1 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CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419486793 1072173866 /nfs/dbraw/zinc/17/38/66/1072173866.db2.gz AGHNCKAIUCTQBA-INIZCTEOSA-N 1 0 389.504 -0.685 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419486794 1072174060 /nfs/dbraw/zinc/17/40/60/1072174060.db2.gz AGHNCKAIUCTQBA-MRXNPFEDSA-N 1 0 389.504 -0.685 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419486862 1072174005 /nfs/dbraw/zinc/17/40/05/1072174005.db2.gz AKFMMIRTTKGDCY-IYBDPMFKSA-N 1 0 389.475 -0.258 20 0 GBADRO COCC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419486899 1072173980 /nfs/dbraw/zinc/17/39/80/1072173980.db2.gz FYFPZHMVCQMIFG-HNNXBMFYSA-N 1 0 380.489 -0.410 20 0 GBADRO COCC1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419486901 1072173928 /nfs/dbraw/zinc/17/39/28/1072173928.db2.gz FYFPZHMVCQMIFG-OAHLLOKOSA-N 1 0 380.489 -0.410 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000419486912 1072173978 /nfs/dbraw/zinc/17/39/78/1072173978.db2.gz ALSBUDLOLFCBCC-KRWDZBQOSA-N 1 0 393.463 -0.750 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000419486920 1072173875 /nfs/dbraw/zinc/17/38/75/1072173875.db2.gz ALSBUDLOLFCBCC-QGZVFWFLSA-N 1 0 393.463 -0.750 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419487137 530349366 /nfs/dbraw/zinc/34/93/66/530349366.db2.gz AOWZKGOXDNNJIR-UHFFFAOYSA-N 1 0 376.504 -0.399 20 0 GBADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)[C@@H](C)C[N@@H+]1CCO ZINC000419487332 530349334 /nfs/dbraw/zinc/34/93/34/530349334.db2.gz AYOXWUFJCTWFGZ-ILXRZTDVSA-N 1 0 376.523 -0.103 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000419487334 530349197 /nfs/dbraw/zinc/34/91/97/530349197.db2.gz AYOXWUFJCTWFGZ-KFWWJZLASA-N 1 0 376.523 -0.103 20 0 GBADRO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)[C@@H](C)C[N@@H+]1CCO ZINC000419487336 530349099 /nfs/dbraw/zinc/34/90/99/530349099.db2.gz AYOXWUFJCTWFGZ-QLFBSQMISA-N 1 0 376.523 -0.103 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000419487338 530349210 /nfs/dbraw/zinc/34/92/10/530349210.db2.gz AYOXWUFJCTWFGZ-RBSFLKMASA-N 1 0 376.523 -0.103 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419487539 530349127 /nfs/dbraw/zinc/34/91/27/530349127.db2.gz GGXACENQFFFVBM-UHFFFAOYSA-N 1 0 396.922 -0.136 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419487617 530349331 /nfs/dbraw/zinc/34/93/31/530349331.db2.gz GPTLXMVUFATXTB-SECBINFHSA-N 1 0 394.906 -0.254 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419487618 530349308 /nfs/dbraw/zinc/34/93/08/530349308.db2.gz GPTLXMVUFATXTB-VIFPVBQESA-N 1 0 394.906 -0.254 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCCO1 ZINC000419487835 1072173907 /nfs/dbraw/zinc/17/39/07/1072173907.db2.gz BTKVPMYZVWXEBH-MSOLQXFVSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCCO1 ZINC000419487836 1072173792 /nfs/dbraw/zinc/17/37/92/1072173792.db2.gz BTKVPMYZVWXEBH-QZTJIDSGSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCCO1 ZINC000419487837 1072173974 /nfs/dbraw/zinc/17/39/74/1072173974.db2.gz BTKVPMYZVWXEBH-ROUUACIJSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCCO1 ZINC000419487838 1072173810 /nfs/dbraw/zinc/17/38/10/1072173810.db2.gz BTKVPMYZVWXEBH-ZWKOTPCHSA-N 1 0 390.484 -0.248 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419487929 1072174080 /nfs/dbraw/zinc/17/40/80/1072174080.db2.gz BBKWQFGMQRQQAX-GXTWGEPZSA-N 1 0 383.474 -0.890 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419487930 1072173992 /nfs/dbraw/zinc/17/39/92/1072173992.db2.gz BBKWQFGMQRQQAX-JSGCOSHPSA-N 1 0 383.474 -0.890 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419487931 1072173847 /nfs/dbraw/zinc/17/38/47/1072173847.db2.gz BBKWQFGMQRQQAX-OCCSQVGLSA-N 1 0 383.474 -0.890 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419487932 1072173975 /nfs/dbraw/zinc/17/39/75/1072173975.db2.gz BBKWQFGMQRQQAX-TZMCWYRMSA-N 1 0 383.474 -0.890 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419487937 530349252 /nfs/dbraw/zinc/34/92/52/530349252.db2.gz BCSISLSPFWURSF-UHFFFAOYSA-N 1 0 376.504 -0.447 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419487938 530349113 /nfs/dbraw/zinc/34/91/13/530349113.db2.gz BCSNRQDQYFNYEM-UHFFFAOYSA-N 1 0 376.504 -0.515 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c(C)s1 ZINC000419487949 530349329 /nfs/dbraw/zinc/34/93/29/530349329.db2.gz BDJNJCGAMLNZPD-GFCCVEGCSA-N 1 0 388.515 -0.372 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000419487950 530349264 /nfs/dbraw/zinc/34/92/64/530349264.db2.gz BDJNJCGAMLNZPD-LBPRGKRZSA-N 1 0 388.515 -0.372 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419487961 530349285 /nfs/dbraw/zinc/34/92/85/530349285.db2.gz BHMIUEQLMINNDK-UHFFFAOYSA-N 1 0 376.504 -0.224 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419487971 530349357 /nfs/dbraw/zinc/34/93/57/530349357.db2.gz BIVVOSVDKFYPQA-UHFFFAOYSA-N 1 0 376.504 -0.414 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419488443 1072173690 /nfs/dbraw/zinc/17/36/90/1072173690.db2.gz BUMUHFUNDPIBFP-GXTWGEPZSA-N 1 0 383.474 -0.796 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419488444 1072173787 /nfs/dbraw/zinc/17/37/87/1072173787.db2.gz BUMUHFUNDPIBFP-JSGCOSHPSA-N 1 0 383.474 -0.796 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419488445 1072173973 /nfs/dbraw/zinc/17/39/73/1072173973.db2.gz BUMUHFUNDPIBFP-OCCSQVGLSA-N 1 0 383.474 -0.796 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419488446 1072174724 /nfs/dbraw/zinc/17/47/24/1072174724.db2.gz BUMUHFUNDPIBFP-TZMCWYRMSA-N 1 0 383.474 -0.796 20 0 GBADRO CN(CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000419488450 530349153 /nfs/dbraw/zinc/34/91/53/530349153.db2.gz BUSGWMRAQCUQLN-TXEJJXNPSA-N 1 0 386.499 -0.837 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[NH2+]CC2)c(C)s1 ZINC000419488474 530349231 /nfs/dbraw/zinc/34/92/31/530349231.db2.gz BZYZLLIRZMYQDB-UHFFFAOYSA-N 1 0 388.515 -0.419 20 0 GBADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419488570 1072175118 /nfs/dbraw/zinc/17/51/18/1072175118.db2.gz DAPJNNHWZSBCLL-DLBZAZTESA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419488571 1072174921 /nfs/dbraw/zinc/17/49/21/1072174921.db2.gz DAPJNNHWZSBCLL-IAGOWNOFSA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419488572 1072174670 /nfs/dbraw/zinc/17/46/70/1072174670.db2.gz DAPJNNHWZSBCLL-IRXDYDNUSA-N 1 0 376.457 -0.719 20 0 GBADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419488573 1072175153 /nfs/dbraw/zinc/17/51/53/1072175153.db2.gz DAPJNNHWZSBCLL-SJORKVTESA-N 1 0 376.457 -0.719 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419488672 1072174033 /nfs/dbraw/zinc/17/40/33/1072174033.db2.gz HSSNKHKMTPRGDV-OAHLLOKOSA-N 1 0 382.486 -0.486 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419488836 530349381 /nfs/dbraw/zinc/34/93/81/530349381.db2.gz CHIVKDDHOIMBIL-LLVKDONJSA-N 1 0 376.504 -0.224 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419488837 530349135 /nfs/dbraw/zinc/34/91/35/530349135.db2.gz CHIVKDDHOIMBIL-NSHDSACASA-N 1 0 376.504 -0.224 20 0 GBADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419488913 1072173984 /nfs/dbraw/zinc/17/39/84/1072173984.db2.gz DHXDOMSQXOJAFS-MSOLQXFVSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419488914 1072173758 /nfs/dbraw/zinc/17/37/58/1072173758.db2.gz DHXDOMSQXOJAFS-QZTJIDSGSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419488915 1072173967 /nfs/dbraw/zinc/17/39/67/1072173967.db2.gz DHXDOMSQXOJAFS-ROUUACIJSA-N 1 0 390.484 -0.329 20 0 GBADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419488916 1072173989 /nfs/dbraw/zinc/17/39/89/1072173989.db2.gz DHXDOMSQXOJAFS-ZWKOTPCHSA-N 1 0 390.484 -0.329 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419488992 530349046 /nfs/dbraw/zinc/34/90/46/530349046.db2.gz HZUKIWNSHGVBRV-SECBINFHSA-N 1 0 394.906 -0.351 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419488993 530349282 /nfs/dbraw/zinc/34/92/82/530349282.db2.gz HZUKIWNSHGVBRV-VIFPVBQESA-N 1 0 394.906 -0.351 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000419489088 1072170980 /nfs/dbraw/zinc/17/09/80/1072170980.db2.gz DUPGRTLCGYIMDS-GOSISDBHSA-N 1 0 389.500 -0.803 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000419489089 1072171149 /nfs/dbraw/zinc/17/11/49/1072171149.db2.gz DUPGRTLCGYIMDS-SFHVURJKSA-N 1 0 389.500 -0.803 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c(C)s1 ZINC000419489201 530349172 /nfs/dbraw/zinc/34/91/72/530349172.db2.gz CTMRSHYNEHJNHY-GFCCVEGCSA-N 1 0 388.515 -0.387 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c(C)s1 ZINC000419489202 530349345 /nfs/dbraw/zinc/34/93/45/530349345.db2.gz CTMRSHYNEHJNHY-LBPRGKRZSA-N 1 0 388.515 -0.387 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419489261 530349228 /nfs/dbraw/zinc/34/92/28/530349228.db2.gz DCTOLGIDNNJJFZ-GFCCVEGCSA-N 1 0 390.531 -0.026 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419489262 530349265 /nfs/dbraw/zinc/34/92/65/530349265.db2.gz DCTOLGIDNNJJFZ-LBPRGKRZSA-N 1 0 390.531 -0.026 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419489594 530349207 /nfs/dbraw/zinc/34/92/07/530349207.db2.gz IQRCRUGLBOPSNK-MRVPVSSYSA-N 1 0 382.895 -0.398 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419489595 530349238 /nfs/dbraw/zinc/34/92/38/530349238.db2.gz IQRCRUGLBOPSNK-QMMMGPOBSA-N 1 0 382.895 -0.398 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419490058 530349169 /nfs/dbraw/zinc/34/91/69/530349169.db2.gz IZJWIRPHDSFURS-SECBINFHSA-N 1 0 394.906 -0.254 20 0 GBADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419490059 530349256 /nfs/dbraw/zinc/34/92/56/530349256.db2.gz IZJWIRPHDSFURS-VIFPVBQESA-N 1 0 394.906 -0.254 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419490160 1072170908 /nfs/dbraw/zinc/17/09/08/1072170908.db2.gz DWFWVQXZZOSHQG-AWEZNQCLSA-N 1 0 397.501 -0.630 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419490161 1072171230 /nfs/dbraw/zinc/17/12/30/1072171230.db2.gz DWFWVQXZZOSHQG-CQSZACIVSA-N 1 0 397.501 -0.630 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000419490174 530349118 /nfs/dbraw/zinc/34/91/18/530349118.db2.gz DWWRIMHLDWEQSI-GFCCVEGCSA-N 1 0 388.515 -0.257 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)S(=O)(=O)c1cccs1 ZINC000419490175 530349176 /nfs/dbraw/zinc/34/91/76/530349176.db2.gz DWWRIMHLDWEQSI-LBPRGKRZSA-N 1 0 388.515 -0.257 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000419490190 530349175 /nfs/dbraw/zinc/34/91/75/530349175.db2.gz FABPIUCCIZOEPV-BXKDBHETSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(C)s1 ZINC000419490191 530349330 /nfs/dbraw/zinc/34/93/30/530349330.db2.gz FABPIUCCIZOEPV-CABZTGNLSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000419490192 530349245 /nfs/dbraw/zinc/34/92/45/530349245.db2.gz FABPIUCCIZOEPV-JOYOIKCWSA-N 1 0 388.515 -0.435 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(C)s1 ZINC000419490193 530349323 /nfs/dbraw/zinc/34/93/23/530349323.db2.gz FABPIUCCIZOEPV-SKDRFNHKSA-N 1 0 388.515 -0.435 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000419490200 530349337 /nfs/dbraw/zinc/34/93/37/530349337.db2.gz FAYDIEHWPONLEU-NEPJUHHUSA-N 1 0 388.515 -0.414 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000419490201 530349249 /nfs/dbraw/zinc/34/92/49/530349249.db2.gz FAYDIEHWPONLEU-NWDGAFQWSA-N 1 0 388.515 -0.414 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000419490202 530349224 /nfs/dbraw/zinc/34/92/24/530349224.db2.gz FAYDIEHWPONLEU-RYUDHWBXSA-N 1 0 388.515 -0.414 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000419490203 530349163 /nfs/dbraw/zinc/34/91/63/530349163.db2.gz FAYDIEHWPONLEU-VXGBXAGGSA-N 1 0 388.515 -0.414 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419490462 1072171034 /nfs/dbraw/zinc/17/10/34/1072171034.db2.gz JNKMNBFGSHXMAB-OAHLLOKOSA-N 1 0 388.534 -0.045 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419490464 530349353 /nfs/dbraw/zinc/34/93/53/530349353.db2.gz JOUPRWWAICNEAR-MRVPVSSYSA-N 1 0 382.895 -0.493 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419490465 530349268 /nfs/dbraw/zinc/34/92/68/530349268.db2.gz JOUPRWWAICNEAR-QMMMGPOBSA-N 1 0 382.895 -0.493 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000419490681 530349271 /nfs/dbraw/zinc/34/92/71/530349271.db2.gz FJPZBMIIXAQMCD-GFCCVEGCSA-N 1 0 388.515 -0.291 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]2C[NH3+])c(C)s1 ZINC000419490682 530349190 /nfs/dbraw/zinc/34/91/90/530349190.db2.gz FJPZBMIIXAQMCD-LBPRGKRZSA-N 1 0 388.515 -0.291 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419491915 530349157 /nfs/dbraw/zinc/34/91/57/530349157.db2.gz LTNFALYLHUAFSF-SECBINFHSA-N 1 0 396.922 -0.090 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000419491972 530349240 /nfs/dbraw/zinc/34/92/40/530349240.db2.gz LWVNCMOIRYHEDC-UHFFFAOYSA-N 1 0 394.906 -0.206 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)[C@H]1C[NH3+] ZINC000419492185 530349349 /nfs/dbraw/zinc/34/93/49/530349349.db2.gz GYAAAKUZYOLNQM-NEPJUHHUSA-N 1 0 388.515 -0.272 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)[C@@H]1C[NH3+] ZINC000419492187 530349315 /nfs/dbraw/zinc/34/93/15/530349315.db2.gz GYAAAKUZYOLNQM-NWDGAFQWSA-N 1 0 388.515 -0.272 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)[C@H]1C[NH3+] ZINC000419492190 530349079 /nfs/dbraw/zinc/34/90/79/530349079.db2.gz GYAAAKUZYOLNQM-RYUDHWBXSA-N 1 0 388.515 -0.272 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)[C@@H]1C[NH3+] ZINC000419492192 530349038 /nfs/dbraw/zinc/34/90/38/530349038.db2.gz GYAAAKUZYOLNQM-VXGBXAGGSA-N 1 0 388.515 -0.272 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492203 530349148 /nfs/dbraw/zinc/34/91/48/530349148.db2.gz GYRWMGLGPDGORF-GFCCVEGCSA-N 1 0 388.515 -0.305 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492205 530349371 /nfs/dbraw/zinc/34/93/71/530349371.db2.gz GYRWMGLGPDGORF-LBPRGKRZSA-N 1 0 388.515 -0.305 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492217 530349279 /nfs/dbraw/zinc/34/92/79/530349279.db2.gz HANYIARDQDOLFG-LLVKDONJSA-N 1 0 376.504 -0.544 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492218 530349380 /nfs/dbraw/zinc/34/93/80/530349380.db2.gz HANYIARDQDOLFG-NSHDSACASA-N 1 0 376.504 -0.544 20 0 GBADRO CN(CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)S(=O)(=O)c1cccs1 ZINC000419492250 530349321 /nfs/dbraw/zinc/34/93/21/530349321.db2.gz HFSDBWAPICWGSO-NEPJUHHUSA-N 1 0 386.499 -0.695 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N1CC[NH2+]CC1 ZINC000419492438 530349311 /nfs/dbraw/zinc/34/93/11/530349311.db2.gz MFOAXRSDGGJVFA-UHFFFAOYSA-N 1 0 380.879 -0.772 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000419492601 1072170848 /nfs/dbraw/zinc/17/08/48/1072170848.db2.gz OFSDGEGGKNFJEE-FPCVCCKLSA-N 1 0 392.500 -0.236 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000419492604 1072171089 /nfs/dbraw/zinc/17/10/89/1072171089.db2.gz OFSDGEGGKNFJEE-KLHDSHLOSA-N 1 0 392.500 -0.236 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000419492607 1072171260 /nfs/dbraw/zinc/17/12/60/1072171260.db2.gz OFSDGEGGKNFJEE-QKPAOTATSA-N 1 0 392.500 -0.236 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000419492611 1072171317 /nfs/dbraw/zinc/17/13/17/1072171317.db2.gz OFSDGEGGKNFJEE-QXSJWSMHSA-N 1 0 392.500 -0.236 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000419492803 1072171208 /nfs/dbraw/zinc/17/12/08/1072171208.db2.gz HONOAOPQNXKINI-CYBMUJFWSA-N 1 0 396.494 -0.041 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000419492804 1072171292 /nfs/dbraw/zinc/17/12/92/1072171292.db2.gz HONOAOPQNXKINI-ZDUSSCGKSA-N 1 0 396.494 -0.041 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492814 530349167 /nfs/dbraw/zinc/34/91/67/530349167.db2.gz HQTCSZQNKGJTHR-LLVKDONJSA-N 1 0 376.504 -0.416 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419492815 530349205 /nfs/dbraw/zinc/34/92/05/530349205.db2.gz HQTCSZQNKGJTHR-NSHDSACASA-N 1 0 376.504 -0.416 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419493005 530349289 /nfs/dbraw/zinc/34/92/89/530349289.db2.gz MPVZXKUYCAKZKK-UHFFFAOYSA-N 1 0 396.922 -0.088 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000419493053 530349095 /nfs/dbraw/zinc/34/90/95/530349095.db2.gz MRCZOOYUCSMASK-BDAKNGLRSA-N 1 0 394.906 -0.398 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000419493055 530349287 /nfs/dbraw/zinc/34/92/87/530349287.db2.gz MRCZOOYUCSMASK-DTWKUNHWSA-N 1 0 394.906 -0.398 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000419493057 530349294 /nfs/dbraw/zinc/34/92/94/530349294.db2.gz MRCZOOYUCSMASK-IUCAKERBSA-N 1 0 394.906 -0.398 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000419493059 530349064 /nfs/dbraw/zinc/34/90/64/530349064.db2.gz MRCZOOYUCSMASK-RKDXNWHRSA-N 1 0 394.906 -0.398 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419493326 530349359 /nfs/dbraw/zinc/34/93/59/530349359.db2.gz HXJHYXGYXHFVKX-GFCCVEGCSA-N 1 0 388.515 -0.175 20 0 GBADRO CN(CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419493327 530349184 /nfs/dbraw/zinc/34/91/84/530349184.db2.gz HXJHYXGYXHFVKX-LBPRGKRZSA-N 1 0 388.515 -0.175 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c(C)s1 ZINC000419493333 530349051 /nfs/dbraw/zinc/34/90/51/530349051.db2.gz HYJKGLKYILDVHD-JTQLQIEISA-N 1 0 388.515 -0.420 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c(C)s1 ZINC000419493334 530349291 /nfs/dbraw/zinc/34/92/91/530349291.db2.gz HYJKGLKYILDVHD-SNVBAGLBSA-N 1 0 388.515 -0.420 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c(C)s1 ZINC000419493377 530349362 /nfs/dbraw/zinc/34/93/62/530349362.db2.gz IHUXBYGZGXCBBR-JTQLQIEISA-N 1 0 388.515 -0.420 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c(C)s1 ZINC000419493378 530349299 /nfs/dbraw/zinc/34/92/99/530349299.db2.gz IHUXBYGZGXCBBR-SNVBAGLBSA-N 1 0 388.515 -0.420 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419493549 530349274 /nfs/dbraw/zinc/34/92/74/530349274.db2.gz MXQWCWBOXVBPGI-UHFFFAOYSA-N 1 0 382.895 -0.478 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000419493898 530349222 /nfs/dbraw/zinc/34/92/22/530349222.db2.gz IPPIOMBFUMSUOD-GFCCVEGCSA-N 1 0 388.515 -0.433 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c(C)s1 ZINC000419493899 530349297 /nfs/dbraw/zinc/34/92/97/530349297.db2.gz IPPIOMBFUMSUOD-LBPRGKRZSA-N 1 0 388.515 -0.433 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)s1 ZINC000419493900 530349281 /nfs/dbraw/zinc/34/92/81/530349281.db2.gz IPRACSGUKGACFH-SECBINFHSA-N 1 0 376.504 -0.387 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)s1 ZINC000419493901 530349194 /nfs/dbraw/zinc/34/91/94/530349194.db2.gz IPRACSGUKGACFH-VIFPVBQESA-N 1 0 376.504 -0.387 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419493911 530349278 /nfs/dbraw/zinc/34/92/78/530349278.db2.gz IQWCKSAOMOKMRC-UHFFFAOYSA-N 1 0 390.531 -0.072 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)C[NH3+])c(C)s1 ZINC000419493988 530349123 /nfs/dbraw/zinc/34/91/23/530349123.db2.gz IYKHGDXCUFZZMM-SECBINFHSA-N 1 0 376.504 -0.530 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)C[NH3+])c(C)s1 ZINC000419493995 530349284 /nfs/dbraw/zinc/34/92/84/530349284.db2.gz IYKHGDXCUFZZMM-VIFPVBQESA-N 1 0 376.504 -0.530 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]1COc2ccccc21 ZINC000419494012 1072170999 /nfs/dbraw/zinc/17/09/99/1072170999.db2.gz NPGVVZIPNBUHIE-DZKIICNBSA-N 1 0 388.468 -0.019 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H]1COc2ccccc21 ZINC000419494016 1072170872 /nfs/dbraw/zinc/17/08/72/1072170872.db2.gz NPGVVZIPNBUHIE-LZWOXQAQSA-N 1 0 388.468 -0.019 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]1COc2ccccc21 ZINC000419494018 1072171238 /nfs/dbraw/zinc/17/12/38/1072171238.db2.gz NPGVVZIPNBUHIE-OFQRWUPVSA-N 1 0 388.468 -0.019 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1COc2ccccc21 ZINC000419494020 1072171167 /nfs/dbraw/zinc/17/11/67/1072171167.db2.gz NPGVVZIPNBUHIE-SQWLQELKSA-N 1 0 388.468 -0.019 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[NH2+]1 ZINC000419494086 530349511 /nfs/dbraw/zinc/34/95/11/530349511.db2.gz NUJJRZDBUWAULX-SECBINFHSA-N 1 0 394.906 -0.384 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[NH2+]1 ZINC000419494087 530349771 /nfs/dbraw/zinc/34/97/71/530349771.db2.gz NUJJRZDBUWAULX-VIFPVBQESA-N 1 0 394.906 -0.384 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H]1C[NH3+] ZINC000419494601 1072171183 /nfs/dbraw/zinc/17/11/83/1072171183.db2.gz JLWUDIUDZJPVGU-GXTWGEPZSA-N 1 0 383.474 -0.938 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)[C@H]1C[NH3+] ZINC000419494603 1072171310 /nfs/dbraw/zinc/17/13/10/1072171310.db2.gz JLWUDIUDZJPVGU-JSGCOSHPSA-N 1 0 383.474 -0.938 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)[C@H]1C[NH3+] ZINC000419494604 1072171331 /nfs/dbraw/zinc/17/13/31/1072171331.db2.gz JLWUDIUDZJPVGU-OCCSQVGLSA-N 1 0 383.474 -0.938 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H]1C[NH3+] ZINC000419494605 1072171266 /nfs/dbraw/zinc/17/12/66/1072171266.db2.gz JLWUDIUDZJPVGU-TZMCWYRMSA-N 1 0 383.474 -0.938 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)CCC[NH2+]C1 ZINC000419494645 530349622 /nfs/dbraw/zinc/34/96/22/530349622.db2.gz JRAMDIIGPRXOGS-HNNXBMFYSA-N 1 0 388.515 -0.352 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)CCC[NH2+]C1 ZINC000419494647 530349469 /nfs/dbraw/zinc/34/94/69/530349469.db2.gz JRAMDIIGPRXOGS-OAHLLOKOSA-N 1 0 388.515 -0.352 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccnc3)C[C@@H]21 ZINC000419494685 1072171108 /nfs/dbraw/zinc/17/11/08/1072171108.db2.gz JVIPNQIBQFYXSP-AEGPPILISA-N 1 0 395.485 -0.938 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccnc3)C[C@H]21 ZINC000419494686 1072171026 /nfs/dbraw/zinc/17/10/26/1072171026.db2.gz JVIPNQIBQFYXSP-BPLDGKMQSA-N 1 0 395.485 -0.938 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccnc3)C[C@H]21 ZINC000419494687 1072170936 /nfs/dbraw/zinc/17/09/36/1072170936.db2.gz JVIPNQIBQFYXSP-NWANDNLSSA-N 1 0 395.485 -0.938 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccnc3)C[C@@H]21 ZINC000419494688 1072171224 /nfs/dbraw/zinc/17/12/24/1072171224.db2.gz JVIPNQIBQFYXSP-VHDGCEQUSA-N 1 0 395.485 -0.938 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NCC(C)(C)[NH3+])c(C)s1 ZINC000419495213 530349707 /nfs/dbraw/zinc/34/97/07/530349707.db2.gz KHRWPCJUYOZDRG-UHFFFAOYSA-N 1 0 376.504 -0.387 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419495591 530349668 /nfs/dbraw/zinc/34/96/68/530349668.db2.gz PQLLMBZQMONWKD-SECBINFHSA-N 1 0 396.922 -0.105 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419495593 530349787 /nfs/dbraw/zinc/34/97/87/530349787.db2.gz PQLLMBZQMONWKD-VIFPVBQESA-N 1 0 396.922 -0.105 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419496064 1072171908 /nfs/dbraw/zinc/17/19/08/1072171908.db2.gz LIQMOEBLJAROMH-CYBMUJFWSA-N 1 0 383.474 -0.923 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419496066 1072171886 /nfs/dbraw/zinc/17/18/86/1072171886.db2.gz LIQMOEBLJAROMH-ZDUSSCGKSA-N 1 0 383.474 -0.923 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)C1CCCC1 ZINC000419496144 530349780 /nfs/dbraw/zinc/34/97/80/530349780.db2.gz LMKWPERQGJONBU-GFCCVEGCSA-N 1 0 388.515 -0.224 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)C1CCCC1 ZINC000419496146 530349503 /nfs/dbraw/zinc/34/95/03/530349503.db2.gz LMKWPERQGJONBU-LBPRGKRZSA-N 1 0 388.515 -0.224 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N1CCC[NH2+]CC1 ZINC000419496157 530349547 /nfs/dbraw/zinc/34/95/47/530349547.db2.gz QFBHOEDTRVFZSN-UHFFFAOYSA-N 1 0 394.906 -0.382 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419496198 530349685 /nfs/dbraw/zinc/34/96/85/530349685.db2.gz QKDZFYKGYLJPBW-MRVPVSSYSA-N 1 0 380.879 -0.644 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419496199 530349693 /nfs/dbraw/zinc/34/96/93/530349693.db2.gz QKDZFYKGYLJPBW-QMMMGPOBSA-N 1 0 380.879 -0.644 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2c(F)cccc2F)C1 ZINC000419496242 1072170753 /nfs/dbraw/zinc/17/07/53/1072170753.db2.gz TYMNPSJLUNMETE-GFCCVEGCSA-N 1 0 382.411 -0.063 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2c(F)cccc2F)C1 ZINC000419496243 1072172198 /nfs/dbraw/zinc/17/21/98/1072172198.db2.gz TYMNPSJLUNMETE-LBPRGKRZSA-N 1 0 382.411 -0.063 20 0 GBADRO CN(CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000419496349 530349627 /nfs/dbraw/zinc/34/96/27/530349627.db2.gz LPMIEUPEJYBUNM-UHFFFAOYSA-N 1 0 388.515 -0.305 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCCCC1 ZINC000419496509 1072171204 /nfs/dbraw/zinc/17/12/04/1072171204.db2.gz MCXCXHNOXOWAJK-HNNXBMFYSA-N 1 0 397.501 -0.500 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCCCC1 ZINC000419496513 1072171012 /nfs/dbraw/zinc/17/10/12/1072171012.db2.gz MCXCXHNOXOWAJK-OAHLLOKOSA-N 1 0 397.501 -0.500 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419496647 530349608 /nfs/dbraw/zinc/34/96/08/530349608.db2.gz QVHMSQRWFYTDSK-SECBINFHSA-N 1 0 394.906 -0.351 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000419496648 530349674 /nfs/dbraw/zinc/34/96/74/530349674.db2.gz QVHMSQRWFYTDSK-VIFPVBQESA-N 1 0 394.906 -0.351 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419496984 530349734 /nfs/dbraw/zinc/34/97/34/530349734.db2.gz MKWKVRRUUPAYQQ-LLVKDONJSA-N 1 0 376.504 -0.401 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419496988 530349793 /nfs/dbraw/zinc/34/97/93/530349793.db2.gz MLEKTDOFNFCJPT-SNVBAGLBSA-N 1 0 390.531 -0.126 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000419497020 1072172150 /nfs/dbraw/zinc/17/21/50/1072172150.db2.gz MQMGPXSKNPOQID-CYBMUJFWSA-N 1 0 383.474 -0.923 20 0 GBADRO CCCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@H]1CC[NH2+]C1 ZINC000419497021 1072172238 /nfs/dbraw/zinc/17/22/38/1072172238.db2.gz MQMGPXSKNPOQID-ZDUSSCGKSA-N 1 0 383.474 -0.923 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419497055 1072172044 /nfs/dbraw/zinc/17/20/44/1072172044.db2.gz RHHFJKJHQNUPQJ-MRXNPFEDSA-N 1 0 396.513 -0.096 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CCCCC1 ZINC000419497376 1072172315 /nfs/dbraw/zinc/17/23/15/1072172315.db2.gz MUYROLUFHVGYRR-UHFFFAOYSA-N 1 0 383.474 -0.746 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c(C)s1 ZINC000419497514 530349618 /nfs/dbraw/zinc/34/96/18/530349618.db2.gz NFWJOPJUXQJDSM-GFCCVEGCSA-N 1 0 388.515 -0.387 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000419497515 530349613 /nfs/dbraw/zinc/34/96/13/530349613.db2.gz NFWJOPJUXQJDSM-LBPRGKRZSA-N 1 0 388.515 -0.387 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419497532 530349467 /nfs/dbraw/zinc/34/94/67/530349467.db2.gz RULWRCJJYIRDDS-SECBINFHSA-N 1 0 394.906 -0.336 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419497533 530349716 /nfs/dbraw/zinc/34/97/16/530349716.db2.gz RULWRCJJYIRDDS-VIFPVBQESA-N 1 0 394.906 -0.336 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCO1 ZINC000419497749 1072171799 /nfs/dbraw/zinc/17/17/99/1072171799.db2.gz XUNIOCOHQIQZPA-DLBZAZTESA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCO1 ZINC000419497750 1072172135 /nfs/dbraw/zinc/17/21/35/1072172135.db2.gz XUNIOCOHQIQZPA-IAGOWNOFSA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCO1 ZINC000419497751 1072171868 /nfs/dbraw/zinc/17/18/68/1072171868.db2.gz XUNIOCOHQIQZPA-IRXDYDNUSA-N 1 0 376.457 -0.638 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCO1 ZINC000419497752 1072171903 /nfs/dbraw/zinc/17/19/03/1072171903.db2.gz XUNIOCOHQIQZPA-SJORKVTESA-N 1 0 376.457 -0.638 20 0 GBADRO CN(CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)S(=O)(=O)c1cccs1 ZINC000419497866 530348787 /nfs/dbraw/zinc/34/87/87/530348787.db2.gz NNWJVCARKXUULB-GFCCVEGCSA-N 1 0 388.515 -0.257 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419497880 530348712 /nfs/dbraw/zinc/34/87/12/530348712.db2.gz NOSFCFBSHDJDHL-LLVKDONJSA-N 1 0 376.504 -0.368 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419497881 530348734 /nfs/dbraw/zinc/34/87/34/530348734.db2.gz NOSFCFBSHDJDHL-NSHDSACASA-N 1 0 376.504 -0.368 20 0 GBADRO COCC1(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000419497963 1072171789 /nfs/dbraw/zinc/17/17/89/1072171789.db2.gz SULILMZKCYSAQU-GFCCVEGCSA-N 1 0 380.411 -0.128 20 0 GBADRO COCC1(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000419497964 1072172035 /nfs/dbraw/zinc/17/20/35/1072172035.db2.gz SULILMZKCYSAQU-LBPRGKRZSA-N 1 0 380.411 -0.128 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419497993 530348881 /nfs/dbraw/zinc/34/88/81/530348881.db2.gz SYYURYUJQXDTLN-SECBINFHSA-N 1 0 396.922 -0.232 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419497994 530348903 /nfs/dbraw/zinc/34/89/03/530348903.db2.gz SYYURYUJQXDTLN-VIFPVBQESA-N 1 0 396.922 -0.232 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419498027 530348821 /nfs/dbraw/zinc/34/88/21/530348821.db2.gz TZHUXTAGDCIDSD-SECBINFHSA-N 1 0 394.906 -0.384 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000419498028 530348838 /nfs/dbraw/zinc/34/88/38/530348838.db2.gz TZHUXTAGDCIDSD-VIFPVBQESA-N 1 0 394.906 -0.384 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000419498265 530348642 /nfs/dbraw/zinc/34/86/42/530348642.db2.gz OCKSUEXJLIAGBS-GFCCVEGCSA-N 1 0 388.515 -0.291 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000419498266 530348764 /nfs/dbraw/zinc/34/87/64/530348764.db2.gz OCKSUEXJLIAGBS-LBPRGKRZSA-N 1 0 388.515 -0.291 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CCCCCC1 ZINC000419498381 1072171761 /nfs/dbraw/zinc/17/17/61/1072171761.db2.gz OHGLJTKICMSNEF-UHFFFAOYSA-N 1 0 397.501 -0.356 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419498394 530348935 /nfs/dbraw/zinc/34/89/35/530348935.db2.gz OICVOYNRIGEKQM-JTQLQIEISA-N 1 0 390.531 -0.269 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419498395 530348694 /nfs/dbraw/zinc/34/86/94/530348694.db2.gz OICVOYNRIGEKQM-SNVBAGLBSA-N 1 0 390.531 -0.269 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419498450 1072171933 /nfs/dbraw/zinc/17/19/33/1072171933.db2.gz UHMHYKYUVUBTTF-OWCLPIDISA-N 1 0 394.497 -0.520 20 0 GBADRO CN(CCNC(=O)C(=O)NCCC[NH2+]C1CC1)S(=O)(=O)c1cccs1 ZINC000419498941 530348755 /nfs/dbraw/zinc/34/87/55/530348755.db2.gz ORXCCHJQWGRMKJ-UHFFFAOYSA-N 1 0 388.515 -0.257 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000419499414 1072172164 /nfs/dbraw/zinc/17/21/64/1072172164.db2.gz YAFGNLDTRGDMOC-BARDWOONSA-N 1 0 378.473 -0.626 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000419499415 1072171753 /nfs/dbraw/zinc/17/17/53/1072171753.db2.gz YAFGNLDTRGDMOC-KBUPBQIOSA-N 1 0 378.473 -0.626 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000419499416 1072172214 /nfs/dbraw/zinc/17/22/14/1072172214.db2.gz YAFGNLDTRGDMOC-LXTVHRRPSA-N 1 0 378.473 -0.626 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000419499417 1072172057 /nfs/dbraw/zinc/17/20/57/1072172057.db2.gz YAFGNLDTRGDMOC-TUVASFSCSA-N 1 0 378.473 -0.626 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccs1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419499508 530348873 /nfs/dbraw/zinc/34/88/73/530348873.db2.gz OZDWOEJCIFPAKY-NEPJUHHUSA-N 1 0 386.499 -0.505 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccs3)C[C@H]12 ZINC000419499982 530348870 /nfs/dbraw/zinc/34/88/70/530348870.db2.gz POWPMKRPZGPKAM-GRYCIOLGSA-N 1 0 386.499 -0.662 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccs3)C[C@@H]12 ZINC000419499983 530348939 /nfs/dbraw/zinc/34/89/39/530348939.db2.gz POWPMKRPZGPKAM-IJLUTSLNSA-N 1 0 386.499 -0.662 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccs3)C[C@@H]12 ZINC000419499984 530348744 /nfs/dbraw/zinc/34/87/44/530348744.db2.gz POWPMKRPZGPKAM-QJPTWQEYSA-N 1 0 386.499 -0.662 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCNS(=O)(=O)c3cccs3)C[C@H]12 ZINC000419499985 530348835 /nfs/dbraw/zinc/34/88/35/530348835.db2.gz POWPMKRPZGPKAM-SDDRHHMPSA-N 1 0 386.499 -0.662 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000419500129 530348937 /nfs/dbraw/zinc/34/89/37/530348937.db2.gz WVJPZNFGGFDPDP-UHFFFAOYSA-N 1 0 382.895 -0.351 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419500883 530348796 /nfs/dbraw/zinc/34/87/96/530348796.db2.gz QPFWLGDLJGWROY-GFCCVEGCSA-N 1 0 388.515 -0.257 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419500884 530348899 /nfs/dbraw/zinc/34/88/99/530348899.db2.gz QPFWLGDLJGWROY-LBPRGKRZSA-N 1 0 388.515 -0.257 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000419501303 1072172208 /nfs/dbraw/zinc/17/22/08/1072172208.db2.gz DBURMHLYTVNTFL-CVEARBPZSA-N 1 0 389.504 -0.842 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000419501304 1072172170 /nfs/dbraw/zinc/17/21/70/1072172170.db2.gz DBURMHLYTVNTFL-HOTGVXAUSA-N 1 0 389.504 -0.842 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000419501305 1072172253 /nfs/dbraw/zinc/17/22/53/1072172253.db2.gz DBURMHLYTVNTFL-HZPDHXFCSA-N 1 0 389.504 -0.842 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000419501306 1072172291 /nfs/dbraw/zinc/17/22/91/1072172291.db2.gz DBURMHLYTVNTFL-JKSUJKDBSA-N 1 0 389.504 -0.842 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419501470 1072171979 /nfs/dbraw/zinc/17/19/79/1072171979.db2.gz DTZNQYCMDHLXBS-INIZCTEOSA-N 1 0 377.464 -0.068 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419501482 1072171772 /nfs/dbraw/zinc/17/17/72/1072171772.db2.gz DTZNQYCMDHLXBS-MRXNPFEDSA-N 1 0 377.464 -0.068 20 0 GBADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000419501683 530348716 /nfs/dbraw/zinc/34/87/16/530348716.db2.gz RNHKRFGWFUMMQW-GFCCVEGCSA-N 1 0 388.515 -0.270 20 0 GBADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000419501684 530348658 /nfs/dbraw/zinc/34/86/58/530348658.db2.gz RNHKRFGWFUMMQW-LBPRGKRZSA-N 1 0 388.515 -0.270 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419501721 1072172101 /nfs/dbraw/zinc/17/21/01/1072172101.db2.gz DZDDSDLGMQDILN-KURKYZTESA-N 1 0 385.512 -0.009 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000419501722 1072171851 /nfs/dbraw/zinc/17/18/51/1072171851.db2.gz DZDDSDLGMQDILN-OKZBNKHCSA-N 1 0 385.512 -0.009 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419502136 530348961 /nfs/dbraw/zinc/34/89/61/530348961.db2.gz RSKDXCIJLYMLQV-SECBINFHSA-N 1 0 376.504 -0.516 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419502137 530348890 /nfs/dbraw/zinc/34/88/90/530348890.db2.gz RSKDXCIJLYMLQV-VIFPVBQESA-N 1 0 376.504 -0.516 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502160 1072171921 /nfs/dbraw/zinc/17/19/21/1072171921.db2.gz RVJFIRSTQWGJGO-BXUZGUMPSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502161 1072172065 /nfs/dbraw/zinc/17/20/65/1072172065.db2.gz RVJFIRSTQWGJGO-FZMZJTMJSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502162 1072171822 /nfs/dbraw/zinc/17/18/22/1072171822.db2.gz RVJFIRSTQWGJGO-RISCZKNCSA-N 1 0 380.420 -0.099 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000419502163 1072172122 /nfs/dbraw/zinc/17/21/22/1072172122.db2.gz RVJFIRSTQWGJGO-SMDDNHRTSA-N 1 0 380.420 -0.099 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419502468 1072172017 /nfs/dbraw/zinc/17/20/17/1072172017.db2.gz FQWIHVWYWTYCLX-INIZCTEOSA-N 1 0 391.520 -0.453 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419502474 1072172115 /nfs/dbraw/zinc/17/21/15/1072172115.db2.gz FQWIHVWYWTYCLX-MRXNPFEDSA-N 1 0 391.520 -0.453 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000419502547 1072172221 /nfs/dbraw/zinc/17/22/21/1072172221.db2.gz GBEHKRUTTBSQIY-HNNXBMFYSA-N 1 0 377.464 -0.116 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000419502548 1072171807 /nfs/dbraw/zinc/17/18/07/1072171807.db2.gz GBEHKRUTTBSQIY-OAHLLOKOSA-N 1 0 377.464 -0.116 20 0 GBADRO CN(C(=O)C(=O)NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419503007 1072173081 /nfs/dbraw/zinc/17/30/81/1072173081.db2.gz CCWGFXPDDNGIAN-GJZGRUSLSA-N 1 0 376.388 -0.070 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCCC1 ZINC000419503161 1072173184 /nfs/dbraw/zinc/17/31/84/1072173184.db2.gz SGXZIKZNLJRNCU-AWEZNQCLSA-N 1 0 383.474 -0.890 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCCC1 ZINC000419503162 1072173104 /nfs/dbraw/zinc/17/31/04/1072173104.db2.gz SGXZIKZNLJRNCU-CQSZACIVSA-N 1 0 383.474 -0.890 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419503341 1072173076 /nfs/dbraw/zinc/17/30/76/1072173076.db2.gz HBBTXZACRPPSLK-INIZCTEOSA-N 1 0 377.464 -0.068 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419503344 1072172842 /nfs/dbraw/zinc/17/28/42/1072172842.db2.gz HBBTXZACRPPSLK-MRXNPFEDSA-N 1 0 377.464 -0.068 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000419503468 530348753 /nfs/dbraw/zinc/34/87/53/530348753.db2.gz SSGDLKQBUOLZOU-GFCCVEGCSA-N 1 0 388.515 -0.372 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000419503470 530348692 /nfs/dbraw/zinc/34/86/92/530348692.db2.gz SSGDLKQBUOLZOU-LBPRGKRZSA-N 1 0 388.515 -0.372 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)CCCCC1 ZINC000419503477 530348667 /nfs/dbraw/zinc/34/86/67/530348667.db2.gz SSSSFGCKQPHYSM-UHFFFAOYSA-N 1 0 388.515 -0.080 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000419503482 530348898 /nfs/dbraw/zinc/34/88/98/530348898.db2.gz STFWBGGAOOFSGY-GFCCVEGCSA-N 1 0 390.531 -0.141 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c(C)s1 ZINC000419503484 530348723 /nfs/dbraw/zinc/34/87/23/530348723.db2.gz STFWBGGAOOFSGY-LBPRGKRZSA-N 1 0 390.531 -0.141 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419503593 1072172931 /nfs/dbraw/zinc/17/29/31/1072172931.db2.gz HUFQRISFUKUZCG-HNNXBMFYSA-N 1 0 375.477 -0.945 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419503601 1072173086 /nfs/dbraw/zinc/17/30/86/1072173086.db2.gz HUFQRISFUKUZCG-OAHLLOKOSA-N 1 0 375.477 -0.945 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419503656 1072172958 /nfs/dbraw/zinc/17/29/58/1072172958.db2.gz UAJNHKXPJYCRNW-AWEZNQCLSA-N 1 0 385.490 -0.692 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000419503662 1072173177 /nfs/dbraw/zinc/17/31/77/1072173177.db2.gz UAJNHKXPJYCRNW-CQSZACIVSA-N 1 0 385.490 -0.692 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(C)s1 ZINC000419503687 530348708 /nfs/dbraw/zinc/34/87/08/530348708.db2.gz UDRVUHOFNOVVHA-SECBINFHSA-N 1 0 376.504 -0.435 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H]1C[NH3+] ZINC000419503896 1072172090 /nfs/dbraw/zinc/17/20/90/1072172090.db2.gz IRGBFIULKFAQSI-CVEARBPZSA-N 1 0 389.504 -0.699 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H]1C[NH3+] ZINC000419503897 1072172027 /nfs/dbraw/zinc/17/20/27/1072172027.db2.gz IRGBFIULKFAQSI-HOTGVXAUSA-N 1 0 389.504 -0.699 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H]1C[NH3+] ZINC000419503898 1072172246 /nfs/dbraw/zinc/17/22/46/1072172246.db2.gz IRGBFIULKFAQSI-HZPDHXFCSA-N 1 0 389.504 -0.699 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H]1C[NH3+] ZINC000419503899 1072172302 /nfs/dbraw/zinc/17/23/02/1072172302.db2.gz IRGBFIULKFAQSI-JKSUJKDBSA-N 1 0 389.504 -0.699 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503903 1072171971 /nfs/dbraw/zinc/17/19/71/1072171971.db2.gz ISJPPAJUZOISQZ-HNNXBMFYSA-N 1 0 377.464 -0.116 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000419503904 1072171830 /nfs/dbraw/zinc/17/18/30/1072171830.db2.gz ISJPPAJUZOISQZ-OAHLLOKOSA-N 1 0 377.464 -0.116 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(C)s1 ZINC000419503928 530348803 /nfs/dbraw/zinc/34/88/03/530348803.db2.gz UDRVUHOFNOVVHA-VIFPVBQESA-N 1 0 376.504 -0.435 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccs1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419503941 530348703 /nfs/dbraw/zinc/34/87/03/530348703.db2.gz UFZUZWRJUISCNK-TXEJJXNPSA-N 1 0 386.499 -0.505 20 0 GBADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419503992 530348958 /nfs/dbraw/zinc/34/89/58/530348958.db2.gz UKQNCUOCPABUMG-NEPJUHHUSA-N 1 0 388.515 -0.259 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419503994 530348891 /nfs/dbraw/zinc/34/88/91/530348891.db2.gz UKQNCUOCPABUMG-NWDGAFQWSA-N 1 0 388.515 -0.259 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419503995 530348884 /nfs/dbraw/zinc/34/88/84/530348884.db2.gz UKQNCUOCPABUMG-RYUDHWBXSA-N 1 0 388.515 -0.259 20 0 GBADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419503997 530348769 /nfs/dbraw/zinc/34/87/69/530348769.db2.gz UKQNCUOCPABUMG-VXGBXAGGSA-N 1 0 388.515 -0.259 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000419504178 1072173198 /nfs/dbraw/zinc/17/31/98/1072173198.db2.gz IYBVYYQHTKEJKE-RHSMWYFYSA-N 1 0 377.464 -0.131 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419504446 530348885 /nfs/dbraw/zinc/34/88/85/530348885.db2.gz USNXQPCQEUCPOX-GFCCVEGCSA-N 1 0 390.531 -0.026 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419504447 530348867 /nfs/dbraw/zinc/34/88/67/530348867.db2.gz USNXQPCQEUCPOX-LBPRGKRZSA-N 1 0 390.531 -0.026 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419504889 1072173010 /nfs/dbraw/zinc/17/30/10/1072173010.db2.gz KPADVKNFKPNTJK-CVEARBPZSA-N 1 0 389.504 -0.557 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419504890 1072173039 /nfs/dbraw/zinc/17/30/39/1072173039.db2.gz KPADVKNFKPNTJK-HOTGVXAUSA-N 1 0 389.504 -0.557 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419504891 1072173215 /nfs/dbraw/zinc/17/32/15/1072173215.db2.gz KPADVKNFKPNTJK-HZPDHXFCSA-N 1 0 389.504 -0.557 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419504892 1072172999 /nfs/dbraw/zinc/17/29/99/1072172999.db2.gz KPADVKNFKPNTJK-JKSUJKDBSA-N 1 0 389.504 -0.557 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504899 1072173089 /nfs/dbraw/zinc/17/30/89/1072173089.db2.gz KQOCCMOTJRDSSN-HNNXBMFYSA-N 1 0 377.464 -0.129 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419504900 1072173167 /nfs/dbraw/zinc/17/31/67/1072173167.db2.gz KQOCCMOTJRDSSN-OAHLLOKOSA-N 1 0 377.464 -0.129 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419505177 1072173142 /nfs/dbraw/zinc/17/31/42/1072173142.db2.gz LFCSYNOEWKBUST-QAPCUYQASA-N 1 0 389.475 -0.116 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505181 1072172825 /nfs/dbraw/zinc/17/28/25/1072172825.db2.gz LFYJAQSTTYDOCJ-KRWDZBQOSA-N 1 0 377.464 -0.083 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505182 1072172801 /nfs/dbraw/zinc/17/28/01/1072172801.db2.gz LFYJAQSTTYDOCJ-QGZVFWFLSA-N 1 0 377.464 -0.083 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419505219 1072173099 /nfs/dbraw/zinc/17/30/99/1072173099.db2.gz LHRVAHXYWYDRRN-HNNXBMFYSA-N 1 0 377.493 -0.796 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419505223 1072173161 /nfs/dbraw/zinc/17/31/61/1072173161.db2.gz LHRVAHXYWYDRRN-OAHLLOKOSA-N 1 0 377.493 -0.796 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000419505245 1072173113 /nfs/dbraw/zinc/17/31/13/1072173113.db2.gz LJLBWSRDPYKSTO-INIZCTEOSA-N 1 0 389.504 -0.685 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000419505247 1072172945 /nfs/dbraw/zinc/17/29/45/1072172945.db2.gz LJLBWSRDPYKSTO-MRXNPFEDSA-N 1 0 389.504 -0.685 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1 ZINC000419505347 530348741 /nfs/dbraw/zinc/34/87/41/530348741.db2.gz VDDQYCPWSZLCSJ-GFCCVEGCSA-N 1 0 388.515 -0.420 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1 ZINC000419505349 530348817 /nfs/dbraw/zinc/34/88/17/530348817.db2.gz VDDQYCPWSZLCSJ-LBPRGKRZSA-N 1 0 388.515 -0.420 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419505459 530348673 /nfs/dbraw/zinc/34/86/73/530348673.db2.gz VSGGRROLVBQKLL-UHFFFAOYSA-N 1 0 390.531 -0.125 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419505593 1072173115 /nfs/dbraw/zinc/17/31/15/1072173115.db2.gz LTPKPAKDNDHQTL-KRWDZBQOSA-N 1 0 397.483 -0.469 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000419505594 1072173232 /nfs/dbraw/zinc/17/32/32/1072173232.db2.gz LTPKPAKDNDHQTL-QGZVFWFLSA-N 1 0 397.483 -0.469 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505644 1072172832 /nfs/dbraw/zinc/17/28/32/1072172832.db2.gz MCTRMGZOGDRDEP-KRWDZBQOSA-N 1 0 377.464 -0.083 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000419505645 1072172817 /nfs/dbraw/zinc/17/28/17/1072172817.db2.gz MCTRMGZOGDRDEP-QGZVFWFLSA-N 1 0 377.464 -0.083 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)NCC2([NH3+])CCC2)c(C)s1 ZINC000419505786 530348829 /nfs/dbraw/zinc/34/88/29/530348829.db2.gz VTDUUMBOKHDFMI-UHFFFAOYSA-N 1 0 388.515 -0.243 20 0 GBADRO CC(C)N1C[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000419505799 1072173046 /nfs/dbraw/zinc/17/30/46/1072173046.db2.gz KYTROYSKJIVMME-NEPJUHHUSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1C[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000419505801 1072172880 /nfs/dbraw/zinc/17/28/80/1072172880.db2.gz KYTROYSKJIVMME-NWDGAFQWSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1C[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000419505803 1072172917 /nfs/dbraw/zinc/17/29/17/1072172917.db2.gz KYTROYSKJIVMME-RYUDHWBXSA-N 1 0 393.410 -0.936 20 0 GBADRO CC(C)N1C[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1=O ZINC000419505805 1072173033 /nfs/dbraw/zinc/17/30/33/1072173033.db2.gz KYTROYSKJIVMME-VXGBXAGGSA-N 1 0 393.410 -0.936 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419506211 530348851 /nfs/dbraw/zinc/34/88/51/530348851.db2.gz WPPHRFDQBKXXET-UHFFFAOYSA-N 1 0 376.504 -0.515 20 0 GBADRO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419506355 1072173768 /nfs/dbraw/zinc/17/37/68/1072173768.db2.gz MZUWRGDLZQWPLP-IYBDPMFKSA-N 1 0 387.488 -0.932 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)[NH2+]1 ZINC000419506611 530348950 /nfs/dbraw/zinc/34/89/50/530348950.db2.gz XHGQWFWKTUKTGJ-RYUDHWBXSA-N 1 0 388.515 -0.306 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)[NH2+]1 ZINC000419506612 530348819 /nfs/dbraw/zinc/34/88/19/530348819.db2.gz XHGQWFWKTUKTGJ-TXEJJXNPSA-N 1 0 388.515 -0.306 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)[NH2+]1 ZINC000419506613 530348696 /nfs/dbraw/zinc/34/86/96/530348696.db2.gz XHGQWFWKTUKTGJ-VXGBXAGGSA-N 1 0 388.515 -0.306 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419506732 1072172855 /nfs/dbraw/zinc/17/28/55/1072172855.db2.gz NTJMKKVDBIKOAH-UHFFFAOYSA-N 1 0 377.464 -0.068 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCCCC1 ZINC000419506968 1072173219 /nfs/dbraw/zinc/17/32/19/1072173219.db2.gz OFVGMOWIWOJDIK-UHFFFAOYSA-N 1 0 389.504 -0.507 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419507020 1072173923 /nfs/dbraw/zinc/17/39/23/1072173923.db2.gz OLYXMNLATHZDEY-HNNXBMFYSA-N 1 0 377.493 -0.652 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419507022 1072173838 /nfs/dbraw/zinc/17/38/38/1072173838.db2.gz OLYXMNLATHZDEY-OAHLLOKOSA-N 1 0 377.493 -0.652 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000419507321 1072173910 /nfs/dbraw/zinc/17/39/10/1072173910.db2.gz PFJSYZMDGRBPAH-AEFFLSMTSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000419507322 1072173948 /nfs/dbraw/zinc/17/39/48/1072173948.db2.gz PFJSYZMDGRBPAH-FUHWJXTLSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000419507323 1072174054 /nfs/dbraw/zinc/17/40/54/1072174054.db2.gz PFJSYZMDGRBPAH-SJLPKXTDSA-N 1 0 389.500 -0.501 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000419507324 1072174023 /nfs/dbraw/zinc/17/40/23/1072174023.db2.gz PFJSYZMDGRBPAH-WMZOPIPTSA-N 1 0 389.500 -0.501 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000419507943 530348893 /nfs/dbraw/zinc/34/88/93/530348893.db2.gz ZGESNGFQTPUSPP-UHFFFAOYSA-N 1 0 390.531 -0.173 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419508054 1072173956 /nfs/dbraw/zinc/17/39/56/1072173956.db2.gz QJFSLGUDJSCUIL-KRWDZBQOSA-N 1 0 393.463 -0.832 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419508055 1072173817 /nfs/dbraw/zinc/17/38/17/1072173817.db2.gz QJFSLGUDJSCUIL-QGZVFWFLSA-N 1 0 393.463 -0.832 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419508353 530348865 /nfs/dbraw/zinc/34/88/65/530348865.db2.gz ZJOSLOIDKXXRFD-NEPJUHHUSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419508354 530348856 /nfs/dbraw/zinc/34/88/56/530348856.db2.gz ZJOSLOIDKXXRFD-NWDGAFQWSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419508355 530348847 /nfs/dbraw/zinc/34/88/47/530348847.db2.gz ZJOSLOIDKXXRFD-RYUDHWBXSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000419508357 530348954 /nfs/dbraw/zinc/34/89/54/530348954.db2.gz ZJOSLOIDKXXRFD-VXGBXAGGSA-N 1 0 388.515 -0.129 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)[C@@H](C)C[NH2+]1 ZINC000419508395 530348662 /nfs/dbraw/zinc/34/86/62/530348662.db2.gz ZOQSYVOGWLBMLG-NEPJUHHUSA-N 1 0 388.515 -0.306 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419508396 530348676 /nfs/dbraw/zinc/34/86/76/530348676.db2.gz ZOQSYVOGWLBMLG-NWDGAFQWSA-N 1 0 388.515 -0.306 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)[C@@H](C)C[NH2+]1 ZINC000419508397 530348915 /nfs/dbraw/zinc/34/89/15/530348915.db2.gz ZOQSYVOGWLBMLG-RYUDHWBXSA-N 1 0 388.515 -0.306 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)[C@H](C)C[NH2+]1 ZINC000419508398 530348924 /nfs/dbraw/zinc/34/89/24/530348924.db2.gz ZOQSYVOGWLBMLG-VXGBXAGGSA-N 1 0 388.515 -0.306 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419508430 530348888 /nfs/dbraw/zinc/34/88/88/530348888.db2.gz ZQQPBJNOAGEERT-NEPJUHHUSA-N 1 0 388.515 -0.272 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419508432 530348909 /nfs/dbraw/zinc/34/89/09/530348909.db2.gz ZQQPBJNOAGEERT-NWDGAFQWSA-N 1 0 388.515 -0.272 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419508434 530349203 /nfs/dbraw/zinc/34/92/03/530349203.db2.gz ZQQPBJNOAGEERT-RYUDHWBXSA-N 1 0 388.515 -0.272 20 0 GBADRO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000419508437 530349083 /nfs/dbraw/zinc/34/90/83/530349083.db2.gz ZQQPBJNOAGEERT-VXGBXAGGSA-N 1 0 388.515 -0.272 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419508545 530349246 /nfs/dbraw/zinc/34/92/46/530349246.db2.gz ZTNBWLIXZKYGOW-NEPJUHHUSA-N 1 0 388.515 -0.401 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419508546 530349370 /nfs/dbraw/zinc/34/93/70/530349370.db2.gz ZTNBWLIXZKYGOW-NWDGAFQWSA-N 1 0 388.515 -0.401 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419508547 530349319 /nfs/dbraw/zinc/34/93/19/530349319.db2.gz ZTNBWLIXZKYGOW-RYUDHWBXSA-N 1 0 388.515 -0.401 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419508548 530349090 /nfs/dbraw/zinc/34/90/90/530349090.db2.gz ZTNBWLIXZKYGOW-VXGBXAGGSA-N 1 0 388.515 -0.401 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000419508828 1072174004 /nfs/dbraw/zinc/17/40/04/1072174004.db2.gz RKRCOYDCEQUNIM-IBGZPJMESA-N 1 0 389.504 -0.779 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000419508831 1072174029 /nfs/dbraw/zinc/17/40/29/1072174029.db2.gz RKRCOYDCEQUNIM-LJQANCHMSA-N 1 0 389.504 -0.779 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCN(c2ccccc2)CC1 ZINC000419511087 1072174694 /nfs/dbraw/zinc/17/46/94/1072174694.db2.gz VCWXNIRHHCNUBL-INIZCTEOSA-N 1 0 377.489 -0.907 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCN(c2ccccc2)CC1 ZINC000419511088 1072174648 /nfs/dbraw/zinc/17/46/48/1072174648.db2.gz VCWXNIRHHCNUBL-MRXNPFEDSA-N 1 0 377.489 -0.907 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511338 1072174952 /nfs/dbraw/zinc/17/49/52/1072174952.db2.gz VJWAHYNDIBYTSP-INIZCTEOSA-N 1 0 377.464 -0.116 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000419511339 1072175105 /nfs/dbraw/zinc/17/51/05/1072175105.db2.gz VJWAHYNDIBYTSP-MRXNPFEDSA-N 1 0 377.464 -0.116 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000419512939 1072175016 /nfs/dbraw/zinc/17/50/16/1072175016.db2.gz YIKPVYHXLLDVKN-AEFFLSMTSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000419512940 1072175145 /nfs/dbraw/zinc/17/51/45/1072175145.db2.gz YIKPVYHXLLDVKN-FUHWJXTLSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000419512941 1072174816 /nfs/dbraw/zinc/17/48/16/1072174816.db2.gz YIKPVYHXLLDVKN-SJLPKXTDSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000419512942 1072175846 /nfs/dbraw/zinc/17/58/46/1072175846.db2.gz YIKPVYHXLLDVKN-WMZOPIPTSA-N 1 0 389.500 -0.582 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000419513243 530349178 /nfs/dbraw/zinc/34/91/78/530349178.db2.gz YTEVRJOFWYPMAT-APIJFGDWSA-N 1 0 376.523 -0.199 20 0 GBADRO C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)[C@@H](C)C[N@@H+]1CCO ZINC000419513244 530349143 /nfs/dbraw/zinc/34/91/43/530349143.db2.gz YTEVRJOFWYPMAT-CBBWQLFWSA-N 1 0 376.523 -0.199 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000419513245 530349259 /nfs/dbraw/zinc/34/92/59/530349259.db2.gz YTEVRJOFWYPMAT-KBUPBQIOSA-N 1 0 376.523 -0.199 20 0 GBADRO C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)[C@@H](C)C[N@@H+]1CCO ZINC000419513246 530349374 /nfs/dbraw/zinc/34/93/74/530349374.db2.gz YTEVRJOFWYPMAT-LXTVHRRPSA-N 1 0 376.523 -0.199 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000419513312 1072175751 /nfs/dbraw/zinc/17/57/51/1072175751.db2.gz ZDXUKKFWSOTFJD-INIZCTEOSA-N 1 0 389.504 -0.652 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000419513313 1072176017 /nfs/dbraw/zinc/17/60/17/1072176017.db2.gz ZDXUKKFWSOTFJD-MRXNPFEDSA-N 1 0 389.504 -0.652 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000419513753 1072176107 /nfs/dbraw/zinc/17/61/07/1072176107.db2.gz ZWDYULJWCNWECQ-UHFFFAOYSA-N 1 0 377.493 -0.652 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419513929 1072175859 /nfs/dbraw/zinc/17/58/59/1072175859.db2.gz NDGKYLHUKKQIBF-UHFFFAOYSA-N 1 0 386.518 -0.688 20 0 GBADRO COCCOc1ncccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419516578 1072176025 /nfs/dbraw/zinc/17/60/25/1072176025.db2.gz HJLNJXNZMWOHDU-GXTWGEPZSA-N 1 0 380.445 -0.048 20 0 GBADRO COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419516579 1072176129 /nfs/dbraw/zinc/17/61/29/1072176129.db2.gz HJLNJXNZMWOHDU-JSGCOSHPSA-N 1 0 380.445 -0.048 20 0 GBADRO COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419516582 1072175781 /nfs/dbraw/zinc/17/57/81/1072175781.db2.gz HJLNJXNZMWOHDU-OCCSQVGLSA-N 1 0 380.445 -0.048 20 0 GBADRO COCCOc1ncccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419516584 1072176044 /nfs/dbraw/zinc/17/60/44/1072176044.db2.gz HJLNJXNZMWOHDU-TZMCWYRMSA-N 1 0 380.445 -0.048 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)N2CCCC2)o1 ZINC000419518118 1072175743 /nfs/dbraw/zinc/17/57/43/1072175743.db2.gz XXSODRUREKOPKX-INIZCTEOSA-N 1 0 377.489 -0.137 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)N2CCCC2)o1 ZINC000419518120 1072175730 /nfs/dbraw/zinc/17/57/30/1072175730.db2.gz XXSODRUREKOPKX-MRXNPFEDSA-N 1 0 377.489 -0.137 20 0 GBADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000419520126 1072175974 /nfs/dbraw/zinc/17/59/74/1072175974.db2.gz LVOFNPJIQRBDGN-HNNXBMFYSA-N 1 0 391.472 -0.202 20 0 GBADRO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000419520127 1072176056 /nfs/dbraw/zinc/17/60/56/1072176056.db2.gz LVOFNPJIQRBDGN-OAHLLOKOSA-N 1 0 391.472 -0.202 20 0 GBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000419522776 1072176761 /nfs/dbraw/zinc/17/67/61/1072176761.db2.gz NLHFKEBHBXYRAW-JCYILVPMSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000419522780 1072177332 /nfs/dbraw/zinc/17/73/32/1072177332.db2.gz NLHFKEBHBXYRAW-OFLPRAFFSA-N 1 0 393.532 -0.354 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419527730 1072177090 /nfs/dbraw/zinc/17/70/90/1072177090.db2.gz BQWNDUMHIZIJST-DLBZAZTESA-N 1 0 375.473 -0.219 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419527731 1072177106 /nfs/dbraw/zinc/17/71/06/1072177106.db2.gz BQWNDUMHIZIJST-IAGOWNOFSA-N 1 0 375.473 -0.219 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419527732 1072176791 /nfs/dbraw/zinc/17/67/91/1072176791.db2.gz BQWNDUMHIZIJST-IRXDYDNUSA-N 1 0 375.473 -0.219 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419527734 1072178055 /nfs/dbraw/zinc/17/80/55/1072178055.db2.gz BQWNDUMHIZIJST-SJORKVTESA-N 1 0 375.473 -0.219 20 0 GBADRO COCCOc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000419528373 1072174688 /nfs/dbraw/zinc/17/46/88/1072174688.db2.gz WYCYFFIXBLOVQJ-QEJZJMRPSA-N 1 0 395.456 -0.311 20 0 GBADRO COCCOc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000419528375 1072175140 /nfs/dbraw/zinc/17/51/40/1072175140.db2.gz WYCYFFIXBLOVQJ-SNPRPXQTSA-N 1 0 395.456 -0.311 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3ccc(F)cc32)C1 ZINC000419528791 1072174679 /nfs/dbraw/zinc/17/46/79/1072174679.db2.gz IFKFUIXIQBKIKU-BXUZGUMPSA-N 1 0 378.404 -0.311 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2COc3ccc(F)cc32)C1 ZINC000419528792 1072175051 /nfs/dbraw/zinc/17/50/51/1072175051.db2.gz IFKFUIXIQBKIKU-FZMZJTMJSA-N 1 0 378.404 -0.311 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3ccc(F)cc32)C1 ZINC000419528793 1072175090 /nfs/dbraw/zinc/17/50/90/1072175090.db2.gz IFKFUIXIQBKIKU-RISCZKNCSA-N 1 0 378.404 -0.311 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3ccc(F)cc32)C1 ZINC000419528794 1072175129 /nfs/dbraw/zinc/17/51/29/1072175129.db2.gz IFKFUIXIQBKIKU-SMDDNHRTSA-N 1 0 378.404 -0.311 20 0 GBADRO COc1cc(C)cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419532465 1072174870 /nfs/dbraw/zinc/17/48/70/1072174870.db2.gz MVPKISJVYIVKIQ-HNNXBMFYSA-N 1 0 376.457 -0.067 20 0 GBADRO COc1cc(C)cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419532466 1072175004 /nfs/dbraw/zinc/17/50/04/1072175004.db2.gz MVPKISJVYIVKIQ-OAHLLOKOSA-N 1 0 376.457 -0.067 20 0 GBADRO CCc1ccnc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000419535106 1072178035 /nfs/dbraw/zinc/17/80/35/1072178035.db2.gz RHRFTUPJUNYQGC-INIZCTEOSA-N 1 0 387.484 -0.069 20 0 GBADRO CCc1ccnc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000419535107 1072178087 /nfs/dbraw/zinc/17/80/87/1072178087.db2.gz RHRFTUPJUNYQGC-MRXNPFEDSA-N 1 0 387.484 -0.069 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419535887 1072178049 /nfs/dbraw/zinc/17/80/49/1072178049.db2.gz AHCTZSCLDFSWBT-INMHGKMJSA-N 1 0 386.452 -0.397 20 0 GBADRO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419535890 1072177888 /nfs/dbraw/zinc/17/78/88/1072177888.db2.gz AHCTZSCLDFSWBT-VYDXJSESSA-N 1 0 386.452 -0.397 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419536988 1072177842 /nfs/dbraw/zinc/17/78/42/1072177842.db2.gz BUGIWHFNFBOHEK-CVEARBPZSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419536989 1072177967 /nfs/dbraw/zinc/17/79/67/1072177967.db2.gz BUGIWHFNFBOHEK-HOTGVXAUSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419536990 1072177961 /nfs/dbraw/zinc/17/79/61/1072177961.db2.gz BUGIWHFNFBOHEK-HZPDHXFCSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419536991 1072177963 /nfs/dbraw/zinc/17/79/63/1072177963.db2.gz BUGIWHFNFBOHEK-JKSUJKDBSA-N 1 0 388.468 -0.102 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537823 1072178076 /nfs/dbraw/zinc/17/80/76/1072178076.db2.gz OCPYGIMMVDHEBX-BBRMVZONSA-N 1 0 388.468 -0.083 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537824 1072178017 /nfs/dbraw/zinc/17/80/17/1072178017.db2.gz OCPYGIMMVDHEBX-CJNGLKHVSA-N 1 0 388.468 -0.083 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537825 1072177954 /nfs/dbraw/zinc/17/79/54/1072177954.db2.gz OCPYGIMMVDHEBX-CZUORRHYSA-N 1 0 388.468 -0.083 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000419537826 1072177921 /nfs/dbraw/zinc/17/79/21/1072177921.db2.gz OCPYGIMMVDHEBX-XJKSGUPXSA-N 1 0 388.468 -0.083 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419539547 1072177825 /nfs/dbraw/zinc/17/78/25/1072177825.db2.gz GETYQOGTQZGSQF-BFYDXBDKSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419539548 1072178004 /nfs/dbraw/zinc/17/80/04/1072178004.db2.gz GETYQOGTQZGSQF-HLLBOEOZSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419539549 1072177800 /nfs/dbraw/zinc/17/78/00/1072177800.db2.gz GETYQOGTQZGSQF-INMHGKMJSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419539550 1072177906 /nfs/dbraw/zinc/17/79/06/1072177906.db2.gz GETYQOGTQZGSQF-VYDXJSESSA-N 1 0 388.468 -0.103 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419539932 1072177815 /nfs/dbraw/zinc/17/78/15/1072177815.db2.gz GWPAAIGVTKBJFT-OWCLPIDISA-N 1 0 386.452 -0.540 20 0 GBADRO O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419539934 1072178135 /nfs/dbraw/zinc/17/81/35/1072178135.db2.gz GWPAAIGVTKBJFT-XHSDSOJGSA-N 1 0 386.452 -0.540 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419541457 1072178782 /nfs/dbraw/zinc/17/87/82/1072178782.db2.gz HXAPYTSJFGXFJF-BFYDXBDKSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419541458 1072178676 /nfs/dbraw/zinc/17/86/76/1072178676.db2.gz HXAPYTSJFGXFJF-HLLBOEOZSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419541459 1072178734 /nfs/dbraw/zinc/17/87/34/1072178734.db2.gz HXAPYTSJFGXFJF-INMHGKMJSA-N 1 0 388.468 -0.103 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419541460 1072178634 /nfs/dbraw/zinc/17/86/34/1072178634.db2.gz HXAPYTSJFGXFJF-VYDXJSESSA-N 1 0 388.468 -0.103 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419541922 1072178013 /nfs/dbraw/zinc/17/80/13/1072178013.db2.gz IIDDPERNPPGXEI-CVEARBPZSA-N 1 0 388.468 -0.150 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419541923 1072177871 /nfs/dbraw/zinc/17/78/71/1072177871.db2.gz IIDDPERNPPGXEI-HOTGVXAUSA-N 1 0 388.468 -0.150 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419541924 1072178684 /nfs/dbraw/zinc/17/86/84/1072178684.db2.gz IIDDPERNPPGXEI-HZPDHXFCSA-N 1 0 388.468 -0.150 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419541925 1072178669 /nfs/dbraw/zinc/17/86/69/1072178669.db2.gz IIDDPERNPPGXEI-JKSUJKDBSA-N 1 0 388.468 -0.150 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419542419 1072178774 /nfs/dbraw/zinc/17/87/74/1072178774.db2.gz ITLRSRUIZXBTHT-BFYDXBDKSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000419542420 1072178916 /nfs/dbraw/zinc/17/89/16/1072178916.db2.gz ITLRSRUIZXBTHT-HLLBOEOZSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419542421 1072178822 /nfs/dbraw/zinc/17/88/22/1072178822.db2.gz ITLRSRUIZXBTHT-INMHGKMJSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000419542422 1072178726 /nfs/dbraw/zinc/17/87/26/1072178726.db2.gz ITLRSRUIZXBTHT-VYDXJSESSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419542441 1072178693 /nfs/dbraw/zinc/17/86/93/1072178693.db2.gz IXWLGRWEPLRNNB-FOIQADDNSA-N 1 0 388.468 -0.020 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419542442 1072178658 /nfs/dbraw/zinc/17/86/58/1072178658.db2.gz IXWLGRWEPLRNNB-MGPUTAFESA-N 1 0 388.468 -0.020 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419542443 1072178722 /nfs/dbraw/zinc/17/87/22/1072178722.db2.gz IXWLGRWEPLRNNB-QRWLVFNGSA-N 1 0 388.468 -0.020 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419542444 1072178904 /nfs/dbraw/zinc/17/89/04/1072178904.db2.gz IXWLGRWEPLRNNB-YWZLYKJASA-N 1 0 388.468 -0.020 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419542451 1072178710 /nfs/dbraw/zinc/17/87/10/1072178710.db2.gz IZUKXEOTQUJQAU-GDBMZVCRSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419542452 1072178965 /nfs/dbraw/zinc/17/89/65/1072178965.db2.gz IZUKXEOTQUJQAU-GOEBONIOSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419542453 1072178677 /nfs/dbraw/zinc/17/86/77/1072178677.db2.gz IZUKXEOTQUJQAU-HOCLYGCPSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419542454 1072178643 /nfs/dbraw/zinc/17/86/43/1072178643.db2.gz IZUKXEOTQUJQAU-ZBFHGGJFSA-N 1 0 376.457 -0.118 20 0 GBADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419544410 1072178852 /nfs/dbraw/zinc/17/88/52/1072178852.db2.gz LGWFWAWKMFFHPP-CVEARBPZSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419544413 1072178930 /nfs/dbraw/zinc/17/89/30/1072178930.db2.gz LGWFWAWKMFFHPP-HOTGVXAUSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419544416 1072178959 /nfs/dbraw/zinc/17/89/59/1072178959.db2.gz LGWFWAWKMFFHPP-HZPDHXFCSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419544419 1072178913 /nfs/dbraw/zinc/17/89/13/1072178913.db2.gz LGWFWAWKMFFHPP-JKSUJKDBSA-N 1 0 388.468 -0.102 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544422 1072178686 /nfs/dbraw/zinc/17/86/86/1072178686.db2.gz LHBRMVKSOIXENE-CABCVRRESA-N 1 0 381.521 -0.498 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544434 1072178969 /nfs/dbraw/zinc/17/89/69/1072178969.db2.gz LHBRMVKSOIXENE-GJZGRUSLSA-N 1 0 381.521 -0.498 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544437 1072178752 /nfs/dbraw/zinc/17/87/52/1072178752.db2.gz LHBRMVKSOIXENE-HUUCEWRRSA-N 1 0 381.521 -0.498 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C12CCC2 ZINC000419544807 1072178697 /nfs/dbraw/zinc/17/86/97/1072178697.db2.gz LNVSMRUOLGLQBW-QLFBSQMISA-N 1 0 380.489 -0.236 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C12CCC2 ZINC000419544808 1072178937 /nfs/dbraw/zinc/17/89/37/1072178937.db2.gz LNVSMRUOLGLQBW-RBSFLKMASA-N 1 0 380.489 -0.236 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C12CCC2 ZINC000419544809 1072178681 /nfs/dbraw/zinc/17/86/81/1072178681.db2.gz LNVSMRUOLGLQBW-RRFJBIMHSA-N 1 0 380.489 -0.236 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C12CCC2 ZINC000419544810 1072178864 /nfs/dbraw/zinc/17/88/64/1072178864.db2.gz LNVSMRUOLGLQBW-SOUVJXGZSA-N 1 0 380.489 -0.236 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545079 1072178679 /nfs/dbraw/zinc/17/86/79/1072178679.db2.gz LUVMIDPKPIGIHE-CABCVRRESA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545082 1072178703 /nfs/dbraw/zinc/17/87/03/1072178703.db2.gz LUVMIDPKPIGIHE-GJZGRUSLSA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545083 1072178718 /nfs/dbraw/zinc/17/87/18/1072178718.db2.gz LUVMIDPKPIGIHE-HUUCEWRRSA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545084 1072178673 /nfs/dbraw/zinc/17/86/73/1072178673.db2.gz LUVMIDPKPIGIHE-LSDHHAIUSA-N 1 0 376.457 -0.246 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000419545335 1072178843 /nfs/dbraw/zinc/17/88/43/1072178843.db2.gz MKWNNYPGGZWMQL-INIZCTEOSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000419545336 1072178887 /nfs/dbraw/zinc/17/88/87/1072178887.db2.gz MKWNNYPGGZWMQL-MRXNPFEDSA-N 1 0 388.468 -0.007 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545345 1072178790 /nfs/dbraw/zinc/17/87/90/1072178790.db2.gz MLRJUWBLKXZQDB-CABCVRRESA-N 1 0 376.457 -0.103 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545346 1072178920 /nfs/dbraw/zinc/17/89/20/1072178920.db2.gz MLRJUWBLKXZQDB-HUUCEWRRSA-N 1 0 376.457 -0.103 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545925 1072178836 /nfs/dbraw/zinc/17/88/36/1072178836.db2.gz NAVCPXWPKWOKAV-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419545926 1072178816 /nfs/dbraw/zinc/17/88/16/1072178816.db2.gz NAVCPXWPKWOKAV-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419546169 1072178762 /nfs/dbraw/zinc/17/87/62/1072178762.db2.gz NLWLKENMFBTKOK-BZUAXINKSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000419546170 1072178805 /nfs/dbraw/zinc/17/88/05/1072178805.db2.gz NLWLKENMFBTKOK-OAGGEKHMSA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419546172 1072179842 /nfs/dbraw/zinc/17/98/42/1072179842.db2.gz NLWLKENMFBTKOK-OWCLPIDISA-N 1 0 388.468 -0.009 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000419546174 1072179712 /nfs/dbraw/zinc/17/97/12/1072179712.db2.gz NLWLKENMFBTKOK-XHSDSOJGSA-N 1 0 388.468 -0.009 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419546449 1072178714 /nfs/dbraw/zinc/17/87/14/1072178714.db2.gz OBRYJDYNXVSEIN-CYBMUJFWSA-N 1 0 382.848 -0.269 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419546450 1072178663 /nfs/dbraw/zinc/17/86/63/1072178663.db2.gz OBRYJDYNXVSEIN-ZDUSSCGKSA-N 1 0 382.848 -0.269 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419546715 1072178738 /nfs/dbraw/zinc/17/87/38/1072178738.db2.gz OLTYMFOWMPZILT-INIZCTEOSA-N 1 0 386.452 -0.182 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419546716 1072178830 /nfs/dbraw/zinc/17/88/30/1072178830.db2.gz OLTYMFOWMPZILT-MRXNPFEDSA-N 1 0 386.452 -0.182 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547943 1072179751 /nfs/dbraw/zinc/17/97/51/1072179751.db2.gz QJQAZDAHMHQFNW-CVEARBPZSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547944 1072179361 /nfs/dbraw/zinc/17/93/61/1072179361.db2.gz QJQAZDAHMHQFNW-HOTGVXAUSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547945 1072179839 /nfs/dbraw/zinc/17/98/39/1072179839.db2.gz QJQAZDAHMHQFNW-HZPDHXFCSA-N 1 0 388.468 -0.007 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547946 1072179648 /nfs/dbraw/zinc/17/96/48/1072179648.db2.gz QJQAZDAHMHQFNW-JKSUJKDBSA-N 1 0 388.468 -0.007 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547985 1072179427 /nfs/dbraw/zinc/17/94/27/1072179427.db2.gz QOBNBFACOOYBJH-BZUAXINKSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547986 1072179376 /nfs/dbraw/zinc/17/93/76/1072179376.db2.gz QOBNBFACOOYBJH-OAGGEKHMSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547987 1072179737 /nfs/dbraw/zinc/17/97/37/1072179737.db2.gz QOBNBFACOOYBJH-OWCLPIDISA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000419547988 1072179693 /nfs/dbraw/zinc/17/96/93/1072179693.db2.gz QOBNBFACOOYBJH-PMPSAXMXSA-N 1 0 388.468 -0.022 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOCc2ccccc2)C1 ZINC000419548764 1072179642 /nfs/dbraw/zinc/17/96/42/1072179642.db2.gz ULQBMHKIGQIZSV-INIZCTEOSA-N 1 0 376.457 -0.367 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOCc2ccccc2)C1 ZINC000419548766 1072179550 /nfs/dbraw/zinc/17/95/50/1072179550.db2.gz ULQBMHKIGQIZSV-MRXNPFEDSA-N 1 0 376.457 -0.367 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(n2)CCCC3)C1 ZINC000419548799 1072179700 /nfs/dbraw/zinc/17/97/00/1072179700.db2.gz RQALKMQKDIAKRE-HNNXBMFYSA-N 1 0 387.484 -0.110 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(n2)CCCC3)C1 ZINC000419548805 1072179791 /nfs/dbraw/zinc/17/97/91/1072179791.db2.gz RQALKMQKDIAKRE-OAHLLOKOSA-N 1 0 387.484 -0.110 20 0 GBADRO COc1ccc(F)cc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419549157 1072179620 /nfs/dbraw/zinc/17/96/20/1072179620.db2.gz RZNPTWPOJPXLLB-GFCCVEGCSA-N 1 0 380.420 -0.236 20 0 GBADRO COc1ccc(F)cc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419549159 1072179515 /nfs/dbraw/zinc/17/95/15/1072179515.db2.gz RZNPTWPOJPXLLB-LBPRGKRZSA-N 1 0 380.420 -0.236 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419550636 1072179560 /nfs/dbraw/zinc/17/95/60/1072179560.db2.gz VDBNPMQXCGIAJY-ARFHVFGLSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419550637 1072179499 /nfs/dbraw/zinc/17/94/99/1072179499.db2.gz VDBNPMQXCGIAJY-HRCADAONSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419550639 1072179626 /nfs/dbraw/zinc/17/96/26/1072179626.db2.gz VDBNPMQXCGIAJY-JYJNAYRXSA-N 1 0 388.468 -0.022 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000419550641 1072179835 /nfs/dbraw/zinc/17/98/35/1072179835.db2.gz VDBNPMQXCGIAJY-XHSDSOJGSA-N 1 0 388.468 -0.022 20 0 GBADRO COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419550917 1072179684 /nfs/dbraw/zinc/17/96/84/1072179684.db2.gz VCTNFZFXPMOEJK-HNNXBMFYSA-N 1 0 378.473 -0.152 20 0 GBADRO COc1ccccc1OC[C@H](C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419550932 1072179748 /nfs/dbraw/zinc/17/97/48/1072179748.db2.gz VCTNFZFXPMOEJK-OAHLLOKOSA-N 1 0 378.473 -0.152 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(F)c1 ZINC000419551330 1072179580 /nfs/dbraw/zinc/17/95/80/1072179580.db2.gz VHKVLDNQAWGCMI-CYBMUJFWSA-N 1 0 380.420 -0.236 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(F)c1 ZINC000419551331 1072179795 /nfs/dbraw/zinc/17/97/95/1072179795.db2.gz VHKVLDNQAWGCMI-ZDUSSCGKSA-N 1 0 380.420 -0.236 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000419552472 1072179671 /nfs/dbraw/zinc/17/96/71/1072179671.db2.gz XCWYEZMPUCKLKC-INIZCTEOSA-N 1 0 388.468 -0.020 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000419552473 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[NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCO1 ZINC000419569239 1072182196 /nfs/dbraw/zinc/18/21/96/1072182196.db2.gz SYPGZWMAQMNMJZ-JQWIXIFHSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCO1 ZINC000419569241 1072182158 /nfs/dbraw/zinc/18/21/58/1072182158.db2.gz SYPGZWMAQMNMJZ-PWSUYJOCSA-N 1 0 398.822 -0.113 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCO1 ZINC000419569243 1072182232 /nfs/dbraw/zinc/18/22/32/1072182232.db2.gz SYPGZWMAQMNMJZ-ZYHUDNBSSA-N 1 0 398.822 -0.113 20 0 GBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000419570085 1072183195 /nfs/dbraw/zinc/18/31/95/1072183195.db2.gz UPMSANHGTBCLAJ-INIZCTEOSA-N 1 0 381.521 -0.306 20 0 GBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCC)CC1 ZINC000419570086 1072182827 /nfs/dbraw/zinc/18/28/27/1072182827.db2.gz UPMSANHGTBCLAJ-MRXNPFEDSA-N 1 0 381.521 -0.306 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(Cl)cc1 ZINC000419570190 1072182816 /nfs/dbraw/zinc/18/28/16/1072182816.db2.gz VANXUSHXLQTQNX-DZGCQCFKSA-N 1 0 382.848 -0.492 20 0 GBADRO CN1C(=O)C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000419570489 1072183051 /nfs/dbraw/zinc/18/30/51/1072183051.db2.gz VANXUSHXLQTQNX-HIFRSBDPSA-N 1 0 382.848 -0.492 20 0 GBADRO CN1C(=O)C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccc(Cl)cc1 ZINC000419570490 1072183089 /nfs/dbraw/zinc/18/30/89/1072183089.db2.gz VANXUSHXLQTQNX-UKRRQHHQSA-N 1 0 382.848 -0.492 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccc(Cl)cc1 ZINC000419570493 1072182966 /nfs/dbraw/zinc/18/29/66/1072182966.db2.gz VANXUSHXLQTQNX-ZFWWWQNUSA-N 1 0 382.848 -0.492 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000419571762 530349791 /nfs/dbraw/zinc/34/97/91/530349791.db2.gz PPMUBPUBJYMSLI-GFCCVEGCSA-N 1 0 389.861 -0.584 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000419571763 530349765 /nfs/dbraw/zinc/34/97/65/530349765.db2.gz PPMUBPUBJYMSLI-LBPRGKRZSA-N 1 0 389.861 -0.584 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000419571786 1072183163 /nfs/dbraw/zinc/18/31/63/1072183163.db2.gz WFFKUXRTJOGVTA-BPQIPLTHSA-N 1 0 399.495 -0.478 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000419571787 1072183181 /nfs/dbraw/zinc/18/31/81/1072183181.db2.gz WFFKUXRTJOGVTA-NJAFHUGGSA-N 1 0 399.495 -0.478 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000419571788 1072182931 /nfs/dbraw/zinc/18/29/31/1072182931.db2.gz WFFKUXRTJOGVTA-RYQLBKOJSA-N 1 0 399.495 -0.478 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000419571789 1072183211 /nfs/dbraw/zinc/18/32/11/1072183211.db2.gz WFFKUXRTJOGVTA-SZMVWBNQSA-N 1 0 399.495 -0.478 20 0 GBADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)NCCN1CC[NH2+]CC1 ZINC000419571929 530349695 /nfs/dbraw/zinc/34/96/95/530349695.db2.gz PRMCYDVHVODJME-UHFFFAOYSA-N 1 0 389.287 -0.062 20 0 GBADRO CN(C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419572765 530349747 /nfs/dbraw/zinc/34/97/47/530349747.db2.gz QXVMANITVNRVIU-STQMWFEESA-N 1 0 389.861 -0.979 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cccn3)cc2)C1 ZINC000419572824 1072182958 /nfs/dbraw/zinc/18/29/58/1072182958.db2.gz RFNQVIBEFYLUQY-INIZCTEOSA-N 1 0 398.467 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cccn3)cc2)C1 ZINC000419572825 1072182786 /nfs/dbraw/zinc/18/27/86/1072182786.db2.gz RFNQVIBEFYLUQY-MRXNPFEDSA-N 1 0 398.467 -0.198 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573028 1072182906 /nfs/dbraw/zinc/18/29/06/1072182906.db2.gz XTJOVIHVKVEGIM-CMPLNLGQSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573030 1072182795 /nfs/dbraw/zinc/18/27/95/1072182795.db2.gz XTJOVIHVKVEGIM-JQWIXIFHSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573032 1072182880 /nfs/dbraw/zinc/18/28/80/1072182880.db2.gz XTJOVIHVKVEGIM-PWSUYJOCSA-N 1 0 398.822 -0.195 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573034 1072182987 /nfs/dbraw/zinc/18/29/87/1072182987.db2.gz XTJOVIHVKVEGIM-ZYHUDNBSSA-N 1 0 398.822 -0.195 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419573104 1072183124 /nfs/dbraw/zinc/18/31/24/1072183124.db2.gz AMCDFHIIHOPSIS-CHWSQXEVSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419573106 1072182773 /nfs/dbraw/zinc/18/27/73/1072182773.db2.gz AMCDFHIIHOPSIS-OLZOCXBDSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419573109 1072183061 /nfs/dbraw/zinc/18/30/61/1072183061.db2.gz AMCDFHIIHOPSIS-QWHCGFSZSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419573112 1072183003 /nfs/dbraw/zinc/18/30/03/1072183003.db2.gz AMCDFHIIHOPSIS-STQMWFEESA-N 1 0 382.486 -0.066 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419573177 530349750 /nfs/dbraw/zinc/34/97/50/530349750.db2.gz RMFQIBLXPCUAQB-UHFFFAOYSA-N 1 0 377.850 -0.991 20 0 GBADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419573197 1072180240 /nfs/dbraw/zinc/18/02/40/1072180240.db2.gz RPBKUJPOLRHMNZ-GFCCVEGCSA-N 1 0 389.378 0.123 20 0 GBADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419573198 1072180367 /nfs/dbraw/zinc/18/03/67/1072180367.db2.gz RPBKUJPOLRHMNZ-LBPRGKRZSA-N 1 0 389.378 0.123 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573492 1072182844 /nfs/dbraw/zinc/18/28/44/1072182844.db2.gz YKGLPGAXFGXGHX-JTQLQIEISA-N 1 0 386.811 -0.520 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000419573494 1072183046 /nfs/dbraw/zinc/18/30/46/1072183046.db2.gz YKGLPGAXFGXGHX-SNVBAGLBSA-N 1 0 386.811 -0.520 20 0 GBADRO CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)C(=O)NCC[NH3+])CC1 ZINC000419576677 1072180224 /nfs/dbraw/zinc/18/02/24/1072180224.db2.gz VMKRVHGXUYDJBS-UHFFFAOYSA-N 1 0 396.513 -0.061 20 0 GBADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419577763 530349484 /nfs/dbraw/zinc/34/94/84/530349484.db2.gz ZJOPYRBZTJGVPV-TXEJJXNPSA-N 1 0 385.873 -0.092 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000419579700 1072180315 /nfs/dbraw/zinc/18/03/15/1072180315.db2.gz KIIXZNUOCYROPK-GFCCVEGCSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000419579702 1072180410 /nfs/dbraw/zinc/18/04/10/1072180410.db2.gz KIIXZNUOCYROPK-LBPRGKRZSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000419580240 1072180612 /nfs/dbraw/zinc/18/06/12/1072180612.db2.gz KXJXZEJHVQSRMJ-AVGNSLFASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000419580243 1072180268 /nfs/dbraw/zinc/18/02/68/1072180268.db2.gz KXJXZEJHVQSRMJ-FRRDWIJNSA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000419580245 1072180546 /nfs/dbraw/zinc/18/05/46/1072180546.db2.gz KXJXZEJHVQSRMJ-UPJWGTAASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000419580248 1072180441 /nfs/dbraw/zinc/18/04/41/1072180441.db2.gz KXJXZEJHVQSRMJ-XQQFMLRXSA-N 1 0 382.486 -0.019 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580820 1072180374 /nfs/dbraw/zinc/18/03/74/1072180374.db2.gz LIZUBPXJIIZKPN-CHWSQXEVSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580821 1072180434 /nfs/dbraw/zinc/18/04/34/1072180434.db2.gz LIZUBPXJIIZKPN-OLZOCXBDSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580822 1072180297 /nfs/dbraw/zinc/18/02/97/1072180297.db2.gz LIZUBPXJIIZKPN-QWHCGFSZSA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580823 1072180425 /nfs/dbraw/zinc/18/04/25/1072180425.db2.gz LIZUBPXJIIZKPN-STQMWFEESA-N 1 0 382.486 -0.066 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580867 1072180594 /nfs/dbraw/zinc/18/05/94/1072180594.db2.gz LMDSSJJQEHLVHG-BJJXKVORSA-N 1 0 394.497 -0.066 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000419580869 1072180520 /nfs/dbraw/zinc/18/05/20/1072180520.db2.gz LMDSSJJQEHLVHG-XPKDYRNWSA-N 1 0 394.497 -0.066 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000419580934 1072180288 /nfs/dbraw/zinc/18/02/88/1072180288.db2.gz LPVMNHALLJFUNW-INIZCTEOSA-N 1 0 398.891 -0.391 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000419580936 1072180601 /nfs/dbraw/zinc/18/06/01/1072180601.db2.gz LPVMNHALLJFUNW-MRXNPFEDSA-N 1 0 398.891 -0.391 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000419581060 1072180397 /nfs/dbraw/zinc/18/03/97/1072180397.db2.gz AYUZSBLMBVWFHD-DIOULYMOSA-N 1 0 396.394 -0.543 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000419581061 1072180343 /nfs/dbraw/zinc/18/03/43/1072180343.db2.gz AYUZSBLMBVWFHD-HZUKXOBISA-N 1 0 396.394 -0.543 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000419581062 1072180577 /nfs/dbraw/zinc/18/05/77/1072180577.db2.gz AYUZSBLMBVWFHD-PJODQICGSA-N 1 0 396.394 -0.543 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000419581063 1072180562 /nfs/dbraw/zinc/18/05/62/1072180562.db2.gz AYUZSBLMBVWFHD-WPGHFRTFSA-N 1 0 396.394 -0.543 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000419582207 1072181575 /nfs/dbraw/zinc/18/15/75/1072181575.db2.gz MTHYUKHBZJLEBD-AGIUHOORSA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000419582210 1072181554 /nfs/dbraw/zinc/18/15/54/1072181554.db2.gz MTHYUKHBZJLEBD-AVGNSLFASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000419582214 1072181578 /nfs/dbraw/zinc/18/15/78/1072181578.db2.gz MTHYUKHBZJLEBD-UPJWGTAASA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000419582217 1072181184 /nfs/dbraw/zinc/18/11/84/1072181184.db2.gz MTHYUKHBZJLEBD-XQQFMLRXSA-N 1 0 382.486 -0.019 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000419582233 1072181514 /nfs/dbraw/zinc/18/15/14/1072181514.db2.gz MUZLUCLQWGLWPD-GXTWGEPZSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000419582236 1072181520 /nfs/dbraw/zinc/18/15/20/1072181520.db2.gz MUZLUCLQWGLWPD-JSGCOSHPSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000419582238 1072181304 /nfs/dbraw/zinc/18/13/04/1072181304.db2.gz MUZLUCLQWGLWPD-OCCSQVGLSA-N 1 0 382.486 -0.018 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000419582239 1072181584 /nfs/dbraw/zinc/18/15/84/1072181584.db2.gz MUZLUCLQWGLWPD-TZMCWYRMSA-N 1 0 382.486 -0.018 20 0 GBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419582790 1072181265 /nfs/dbraw/zinc/18/12/65/1072181265.db2.gz JPUJAYQAKYGLEW-CVEARBPZSA-N 1 0 379.505 -0.600 20 0 GBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419582794 1072181608 /nfs/dbraw/zinc/18/16/08/1072181608.db2.gz JPUJAYQAKYGLEW-HOTGVXAUSA-N 1 0 379.505 -0.600 20 0 GBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419582797 1072181524 /nfs/dbraw/zinc/18/15/24/1072181524.db2.gz JPUJAYQAKYGLEW-HZPDHXFCSA-N 1 0 379.505 -0.600 20 0 GBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419582801 1072181486 /nfs/dbraw/zinc/18/14/86/1072181486.db2.gz JPUJAYQAKYGLEW-JKSUJKDBSA-N 1 0 379.505 -0.600 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000419584006 1072181393 /nfs/dbraw/zinc/18/13/93/1072181393.db2.gz DRJZFGOABAOAGE-DIOULYMOSA-N 1 0 396.394 -0.461 20 0 GBADRO CN1C(=O)C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000419584010 1072181595 /nfs/dbraw/zinc/18/15/95/1072181595.db2.gz DRJZFGOABAOAGE-HZUKXOBISA-N 1 0 396.394 -0.461 20 0 GBADRO 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C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000419590872 1072183616 /nfs/dbraw/zinc/18/36/16/1072183616.db2.gz QRZVHLLAYBYWST-HUUCEWRRSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000419590874 1072184043 /nfs/dbraw/zinc/18/40/43/1072184043.db2.gz QRZVHLLAYBYWST-LSDHHAIUSA-N 1 0 379.505 -0.744 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000419591303 1072184145 /nfs/dbraw/zinc/18/41/45/1072184145.db2.gz LATXCOVWEMKMOE-GDBMZVCRSA-N 1 0 398.410 -0.295 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000419591304 1072183950 /nfs/dbraw/zinc/18/39/50/1072183950.db2.gz LATXCOVWEMKMOE-GOEBONIOSA-N 1 0 398.410 -0.295 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000419591305 1072183935 /nfs/dbraw/zinc/18/39/35/1072183935.db2.gz LATXCOVWEMKMOE-HOCLYGCPSA-N 1 0 398.410 -0.295 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000419591684 1072183701 /nfs/dbraw/zinc/18/37/01/1072183701.db2.gz LATXCOVWEMKMOE-ZBFHGGJFSA-N 1 0 398.410 -0.295 20 0 GBADRO CCc1noc(-c2ccc(CCNC(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)cc2)n1 ZINC000419593406 1072183603 /nfs/dbraw/zinc/18/36/03/1072183603.db2.gz XHVLTROBCVZTHM-GJZGRUSLSA-N 1 0 387.440 -0.251 20 0 GBADRO CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419595857 1072183787 /nfs/dbraw/zinc/18/37/87/1072183787.db2.gz PLMDRGFDVXJKPN-KFWWJZLASA-N 1 0 381.473 -0.081 20 0 GBADRO CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419595858 1072183680 /nfs/dbraw/zinc/18/36/80/1072183680.db2.gz PLMDRGFDVXJKPN-ZNMIVQPWSA-N 1 0 381.473 -0.081 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000419596279 1072184927 /nfs/dbraw/zinc/18/49/27/1072184927.db2.gz NHJMRMHYXMEREV-KBPBESRZSA-N 1 0 390.440 -0.744 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000419596280 1072184702 /nfs/dbraw/zinc/18/47/02/1072184702.db2.gz NHJMRMHYXMEREV-KGLIPLIRSA-N 1 0 390.440 -0.744 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000419596281 1072184605 /nfs/dbraw/zinc/18/46/05/1072184605.db2.gz NHJMRMHYXMEREV-UONOGXRCSA-N 1 0 390.440 -0.744 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000419596282 1072184648 /nfs/dbraw/zinc/18/46/48/1072184648.db2.gz NHJMRMHYXMEREV-ZIAGYGMSSA-N 1 0 390.440 -0.744 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccccc2F)C1 ZINC000419597881 1072184592 /nfs/dbraw/zinc/18/45/92/1072184592.db2.gz PYTARICTJDISJE-CYBMUJFWSA-N 1 0 380.420 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ccccc2F)C1 ZINC000419597884 1072184826 /nfs/dbraw/zinc/18/48/26/1072184826.db2.gz PYTARICTJDISJE-ZDUSSCGKSA-N 1 0 380.420 -0.366 20 0 GBADRO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 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MHAHRXWSOMDTDR-CQSZACIVSA-N 1 0 378.473 -0.228 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419603592 1072183075 /nfs/dbraw/zinc/18/30/75/1072183075.db2.gz YSUSYNFJEZSBJR-HOSILWTGSA-N 1 0 396.394 -0.856 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419603593 1072183023 /nfs/dbraw/zinc/18/30/23/1072183023.db2.gz YSUSYNFJEZSBJR-ORIJERBGSA-N 1 0 396.394 -0.856 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419603594 1072183095 /nfs/dbraw/zinc/18/30/95/1072183095.db2.gz YSUSYNFJEZSBJR-RZLSGREXSA-N 1 0 396.394 -0.856 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419603595 1072183154 /nfs/dbraw/zinc/18/31/54/1072183154.db2.gz YSUSYNFJEZSBJR-YXWQFLTLSA-N 1 0 396.394 -0.856 20 0 GBADRO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419608796 1072184065 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/nfs/dbraw/zinc/18/62/28/1072186228.db2.gz XUQJGLBYHYPXEO-GBJTYRQASA-N 1 0 380.489 -0.380 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H]2CCCO[C@@H]21 ZINC000419610374 1072186509 /nfs/dbraw/zinc/18/65/09/1072186509.db2.gz XUQJGLBYHYPXEO-XQLPTFJDSA-N 1 0 380.489 -0.380 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H]2CCCO[C@@H]21 ZINC000419610375 1072186492 /nfs/dbraw/zinc/18/64/92/1072186492.db2.gz XUQJGLBYHYPXEO-YJNKXOJESA-N 1 0 380.489 -0.380 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCO1 ZINC000419619601 1072184834 /nfs/dbraw/zinc/18/48/34/1072184834.db2.gz CVKWLNJPVCXCSE-NEPJUHHUSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCO1 ZINC000419619604 1072185749 /nfs/dbraw/zinc/18/57/49/1072185749.db2.gz CVKWLNJPVCXCSE-NWDGAFQWSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCO1 ZINC000419619606 1072185785 /nfs/dbraw/zinc/18/57/85/1072185785.db2.gz CVKWLNJPVCXCSE-RYUDHWBXSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCCO1 ZINC000419619607 1072185431 /nfs/dbraw/zinc/18/54/31/1072185431.db2.gz CVKWLNJPVCXCSE-VXGBXAGGSA-N 1 0 396.394 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 ZINC000419619610 1072185736 /nfs/dbraw/zinc/18/57/36/1072185736.db2.gz CVLJHPAIXUNGMP-GHMZBOCLSA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 ZINC000419619612 1072185774 /nfs/dbraw/zinc/18/57/74/1072185774.db2.gz CVLJHPAIXUNGMP-MNOVXSKESA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 ZINC000419619614 1072185703 /nfs/dbraw/zinc/18/57/03/1072185703.db2.gz CVLJHPAIXUNGMP-QWRGUYRKSA-N 1 0 382.367 -0.628 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 ZINC000419619615 1072185527 /nfs/dbraw/zinc/18/55/27/1072185527.db2.gz CVLJHPAIXUNGMP-WDEREUQCSA-N 1 0 382.367 -0.628 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419620719 1072185400 /nfs/dbraw/zinc/18/54/00/1072185400.db2.gz FBIMTSFPMFADRL-NEPJUHHUSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419620722 1072185487 /nfs/dbraw/zinc/18/54/87/1072185487.db2.gz FBIMTSFPMFADRL-NWDGAFQWSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419620724 1072185717 /nfs/dbraw/zinc/18/57/17/1072185717.db2.gz FBIMTSFPMFADRL-RYUDHWBXSA-N 1 0 396.394 -0.319 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419620726 1072185722 /nfs/dbraw/zinc/18/57/22/1072185722.db2.gz FBIMTSFPMFADRL-VXGBXAGGSA-N 1 0 396.394 -0.319 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC[NH2+]1 ZINC000419621326 1072185695 /nfs/dbraw/zinc/18/56/95/1072185695.db2.gz CMRZAPAJODKWTC-UHFFFAOYSA-N 1 0 379.436 -0.116 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419621481 1072185740 /nfs/dbraw/zinc/18/57/40/1072185740.db2.gz FSBYCASSTRSFHM-GHMZBOCLSA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419621482 1072185812 /nfs/dbraw/zinc/18/58/12/1072185812.db2.gz FSBYCASSTRSFHM-MNOVXSKESA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419621484 1072185685 /nfs/dbraw/zinc/18/56/85/1072185685.db2.gz FSBYCASSTRSFHM-QWRGUYRKSA-N 1 0 382.367 -0.709 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419621486 1072185804 /nfs/dbraw/zinc/18/58/04/1072185804.db2.gz FSBYCASSTRSFHM-WDEREUQCSA-N 1 0 382.367 -0.709 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(O)cc1 ZINC000419626411 1072185460 /nfs/dbraw/zinc/18/54/60/1072185460.db2.gz COXGVGQDZZZRSC-HNNXBMFYSA-N 1 0 376.457 -0.103 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(O)cc1 ZINC000419626412 1072185580 /nfs/dbraw/zinc/18/55/80/1072185580.db2.gz COXGVGQDZZZRSC-OAHLLOKOSA-N 1 0 376.457 -0.103 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419626972 1072185416 /nfs/dbraw/zinc/18/54/16/1072185416.db2.gz KLRVEHUEYVQSQX-GFCCVEGCSA-N 1 0 395.410 -0.792 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419626978 1072185670 /nfs/dbraw/zinc/18/56/70/1072185670.db2.gz KLRVEHUEYVQSQX-LBPRGKRZSA-N 1 0 395.410 -0.792 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C[NH2+]1 ZINC000419627710 1072185706 /nfs/dbraw/zinc/18/57/06/1072185706.db2.gz JHIKSSGFOCLTOE-CHWSQXEVSA-N 1 0 379.436 -0.118 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419627711 1072185406 /nfs/dbraw/zinc/18/54/06/1072185406.db2.gz JHIKSSGFOCLTOE-OLZOCXBDSA-N 1 0 379.436 -0.118 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000419627712 1072185789 /nfs/dbraw/zinc/18/57/89/1072185789.db2.gz JHIKSSGFOCLTOE-QWHCGFSZSA-N 1 0 379.436 -0.118 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419627713 1072185491 /nfs/dbraw/zinc/18/54/91/1072185491.db2.gz JHIKSSGFOCLTOE-STQMWFEESA-N 1 0 379.436 -0.118 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419631255 1072185439 /nfs/dbraw/zinc/18/54/39/1072185439.db2.gz OCYXFWOJFYZJOD-LLVKDONJSA-N 1 0 384.383 -0.462 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000419631256 1072185677 /nfs/dbraw/zinc/18/56/77/1072185677.db2.gz OCYXFWOJFYZJOD-NSHDSACASA-N 1 0 384.383 -0.462 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000419631513 1072185751 /nfs/dbraw/zinc/18/57/51/1072185751.db2.gz DXNZRTOICJWBOZ-BZUAXINKSA-N 1 0 390.488 -0.204 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000419631514 1072185632 /nfs/dbraw/zinc/18/56/32/1072185632.db2.gz DXNZRTOICJWBOZ-OAGGEKHMSA-N 1 0 390.488 -0.204 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000419631515 1072185726 /nfs/dbraw/zinc/18/57/26/1072185726.db2.gz DXNZRTOICJWBOZ-OWCLPIDISA-N 1 0 390.488 -0.204 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000419631516 1072185801 /nfs/dbraw/zinc/18/58/01/1072185801.db2.gz DXNZRTOICJWBOZ-PMPSAXMXSA-N 1 0 390.488 -0.204 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000419632654 1072185536 /nfs/dbraw/zinc/18/55/36/1072185536.db2.gz AFARAVDDNPSQQW-GXTWGEPZSA-N 1 0 383.470 -0.194 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000419632655 1072185660 /nfs/dbraw/zinc/18/56/60/1072185660.db2.gz AFARAVDDNPSQQW-JSGCOSHPSA-N 1 0 383.470 -0.194 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000419632656 1072185825 /nfs/dbraw/zinc/18/58/25/1072185825.db2.gz AFARAVDDNPSQQW-OCCSQVGLSA-N 1 0 383.470 -0.194 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000419632657 1072185648 /nfs/dbraw/zinc/18/56/48/1072185648.db2.gz AFARAVDDNPSQQW-TZMCWYRMSA-N 1 0 383.470 -0.194 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419633749 530349528 /nfs/dbraw/zinc/34/95/28/530349528.db2.gz BOIAPHMWVOXMQD-CYBMUJFWSA-N 1 0 399.289 -0.076 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419633751 530349571 /nfs/dbraw/zinc/34/95/71/530349571.db2.gz BOIAPHMWVOXMQD-ZDUSSCGKSA-N 1 0 399.289 -0.076 20 0 GBADRO COc1cccc(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000419634303 1072186466 /nfs/dbraw/zinc/18/64/66/1072186466.db2.gz IAZOGXLBVGLKQQ-HNNXBMFYSA-N 1 0 391.472 -0.405 20 0 GBADRO COc1cccc(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000419634311 1072186303 /nfs/dbraw/zinc/18/63/03/1072186303.db2.gz IAZOGXLBVGLKQQ-OAHLLOKOSA-N 1 0 391.472 -0.405 20 0 GBADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419635877 1072186484 /nfs/dbraw/zinc/18/64/84/1072186484.db2.gz DBNZXKRXEAJQPX-DZGCQCFKSA-N 1 0 376.461 -0.364 20 0 GBADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419635878 1072186323 /nfs/dbraw/zinc/18/63/23/1072186323.db2.gz DBNZXKRXEAJQPX-HIFRSBDPSA-N 1 0 376.461 -0.364 20 0 GBADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419635880 1072186287 /nfs/dbraw/zinc/18/62/87/1072186287.db2.gz DBNZXKRXEAJQPX-UKRRQHHQSA-N 1 0 376.461 -0.364 20 0 GBADRO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419635881 1072186519 /nfs/dbraw/zinc/18/65/19/1072186519.db2.gz DBNZXKRXEAJQPX-ZFWWWQNUSA-N 1 0 376.461 -0.364 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1F ZINC000419636358 1072186399 /nfs/dbraw/zinc/18/63/99/1072186399.db2.gz DTSIBDAKVQIICN-GXTWGEPZSA-N 1 0 388.403 -0.652 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C2CC3CC(C2)CC1C3 ZINC000419637088 1072186503 /nfs/dbraw/zinc/18/65/03/1072186503.db2.gz FQCFTUPTSOFQOT-UHFFFAOYSA-N 1 0 388.472 -0.475 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419637799 1072186537 /nfs/dbraw/zinc/18/65/37/1072186537.db2.gz GELRBHYWCDMYKK-KBPBESRZSA-N 1 0 388.534 -0.238 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419637802 1072186266 /nfs/dbraw/zinc/18/62/66/1072186266.db2.gz GELRBHYWCDMYKK-KGLIPLIRSA-N 1 0 388.534 -0.238 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419637804 1072186173 /nfs/dbraw/zinc/18/61/73/1072186173.db2.gz GELRBHYWCDMYKK-UONOGXRCSA-N 1 0 388.534 -0.238 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419637806 1072186315 /nfs/dbraw/zinc/18/63/15/1072186315.db2.gz GELRBHYWCDMYKK-ZIAGYGMSSA-N 1 0 388.534 -0.238 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000419637867 1072186486 /nfs/dbraw/zinc/18/64/86/1072186486.db2.gz SUWUPALUJFFLRB-MWDXBVQZSA-N 1 0 388.468 -0.308 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000419637870 1072186410 /nfs/dbraw/zinc/18/64/10/1072186410.db2.gz SUWUPALUJFFLRB-NXOAAHMSSA-N 1 0 388.468 -0.308 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000419637874 1072186387 /nfs/dbraw/zinc/18/63/87/1072186387.db2.gz SUWUPALUJFFLRB-TWMKSMIVSA-N 1 0 388.468 -0.308 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000419637878 1072186525 /nfs/dbraw/zinc/18/65/25/1072186525.db2.gz SUWUPALUJFFLRB-YYIAUSFCSA-N 1 0 388.468 -0.308 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)O1 ZINC000419639208 1072186521 /nfs/dbraw/zinc/18/65/21/1072186521.db2.gz UHIYJRMZBDJTLX-CVEARBPZSA-N 1 0 376.457 -0.274 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)O1 ZINC000419639213 1072186279 /nfs/dbraw/zinc/18/62/79/1072186279.db2.gz UHIYJRMZBDJTLX-HOTGVXAUSA-N 1 0 376.457 -0.274 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)O1 ZINC000419639221 1072186501 /nfs/dbraw/zinc/18/65/01/1072186501.db2.gz UHIYJRMZBDJTLX-HZPDHXFCSA-N 1 0 376.457 -0.274 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)O1 ZINC000419639224 1072186475 /nfs/dbraw/zinc/18/64/75/1072186475.db2.gz UHIYJRMZBDJTLX-JKSUJKDBSA-N 1 0 376.457 -0.274 20 0 GBADRO O=C(NC1Cc2ccccc2C1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419642598 1072187623 /nfs/dbraw/zinc/18/76/23/1072187623.db2.gz MKEPSJMIDLQYEB-KRWDZBQOSA-N 1 0 384.480 -0.060 20 0 GBADRO O=C(NC1Cc2ccccc2C1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419642600 1072187692 /nfs/dbraw/zinc/18/76/92/1072187692.db2.gz MKEPSJMIDLQYEB-QGZVFWFLSA-N 1 0 384.480 -0.060 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419644594 1072187614 /nfs/dbraw/zinc/18/76/14/1072187614.db2.gz XOMUFWAFJJXNRK-GRYCIOLGSA-N 1 0 378.379 -0.136 20 0 GBADRO O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419644598 1072187155 /nfs/dbraw/zinc/18/71/55/1072187155.db2.gz XOMUFWAFJJXNRK-TUAOUCFPSA-N 1 0 378.379 -0.136 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419645524 1072187136 /nfs/dbraw/zinc/18/71/36/1072187136.db2.gz MWFYZISXISVPRI-KBPBESRZSA-N 1 0 388.534 -0.238 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419645525 1072187530 /nfs/dbraw/zinc/18/75/30/1072187530.db2.gz MWFYZISXISVPRI-OKILXGFUSA-N 1 0 388.534 -0.238 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419645526 1072187175 /nfs/dbraw/zinc/18/71/75/1072187175.db2.gz MWFYZISXISVPRI-ZIAGYGMSSA-N 1 0 388.534 -0.238 20 0 GBADRO O=C(NCCc1ccc(O)cc1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419645650 1072187280 /nfs/dbraw/zinc/18/72/80/1072187280.db2.gz PMVVZIDIVRHZSY-INIZCTEOSA-N 1 0 388.468 -0.279 20 0 GBADRO O=C(NCCc1ccc(O)cc1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419645654 1072187342 /nfs/dbraw/zinc/18/73/42/1072187342.db2.gz PMVVZIDIVRHZSY-MRXNPFEDSA-N 1 0 388.468 -0.279 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419646633 1072187185 /nfs/dbraw/zinc/18/71/85/1072187185.db2.gz ZIOQMCDCUZWXLF-BETUJISGSA-N 1 0 379.436 -0.118 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000419646634 1072187162 /nfs/dbraw/zinc/18/71/62/1072187162.db2.gz ZIOQMCDCUZWXLF-CHWSQXEVSA-N 1 0 379.436 -0.118 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419646636 1072187443 /nfs/dbraw/zinc/18/74/43/1072187443.db2.gz ZIOQMCDCUZWXLF-STQMWFEESA-N 1 0 379.436 -0.118 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000419647925 1072187579 /nfs/dbraw/zinc/18/75/79/1072187579.db2.gz MEHRVDZPJPTPPH-AWEZNQCLSA-N 1 0 376.461 -0.687 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCNc2ccccn2)C1 ZINC000419647926 1072187221 /nfs/dbraw/zinc/18/72/21/1072187221.db2.gz MEHRVDZPJPTPPH-CQSZACIVSA-N 1 0 376.461 -0.687 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCCCNc1ccccn1 ZINC000419649941 1072187481 /nfs/dbraw/zinc/18/74/81/1072187481.db2.gz NQNYOXYNONKVJR-HNNXBMFYSA-N 1 0 390.488 -0.154 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCCNc1ccccn1 ZINC000419649946 1072187257 /nfs/dbraw/zinc/18/72/57/1072187257.db2.gz NQNYOXYNONKVJR-OAHLLOKOSA-N 1 0 390.488 -0.154 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000419650551 1072187641 /nfs/dbraw/zinc/18/76/41/1072187641.db2.gz NLMUQMNFDFQCPD-AWEZNQCLSA-N 1 0 394.447 -0.194 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000419650552 1072187099 /nfs/dbraw/zinc/18/70/99/1072187099.db2.gz NLMUQMNFDFQCPD-CQSZACIVSA-N 1 0 394.447 -0.194 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419657099 1072186334 /nfs/dbraw/zinc/18/63/34/1072186334.db2.gz XPQOUYKYONOCOO-UHFFFAOYSA-N 1 0 388.534 -0.237 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H]1C[NH3+] ZINC000419659205 1072190683 /nfs/dbraw/zinc/19/06/83/1072190683.db2.gz AGTYICPJERJWJD-HZSPNIEDSA-N 1 0 376.461 -0.383 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@H]1C[NH3+] ZINC000419659208 1072190627 /nfs/dbraw/zinc/19/06/27/1072190627.db2.gz AGTYICPJERJWJD-MCIONIFRSA-N 1 0 376.461 -0.383 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[C@@H]1C[NH3+] ZINC000419659211 1072190617 /nfs/dbraw/zinc/19/06/17/1072190617.db2.gz AGTYICPJERJWJD-MGPQQGTHSA-N 1 0 376.461 -0.383 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@H]1C[NH3+] ZINC000419659214 1072190393 /nfs/dbraw/zinc/19/03/93/1072190393.db2.gz AGTYICPJERJWJD-RDBSUJKOSA-N 1 0 376.461 -0.383 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419659578 1072190268 /nfs/dbraw/zinc/19/02/68/1072190268.db2.gz ALBJJNZQUYGLFP-RRFJBIMHSA-N 1 0 394.472 -0.885 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419659579 1072190463 /nfs/dbraw/zinc/19/04/63/1072190463.db2.gz ALBJJNZQUYGLFP-SOUVJXGZSA-N 1 0 394.472 -0.885 20 0 GBADRO CCCN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[NH2+]C1 ZINC000419659998 1072190657 /nfs/dbraw/zinc/19/06/57/1072190657.db2.gz BPWPYYKLBQJJFC-KBPBESRZSA-N 1 0 376.461 -0.368 20 0 GBADRO CCCN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000419659999 1072190590 /nfs/dbraw/zinc/19/05/90/1072190590.db2.gz BPWPYYKLBQJJFC-KGLIPLIRSA-N 1 0 376.461 -0.368 20 0 GBADRO CCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[NH2+]C1 ZINC000419660000 1072190387 /nfs/dbraw/zinc/19/03/87/1072190387.db2.gz BPWPYYKLBQJJFC-UONOGXRCSA-N 1 0 376.461 -0.368 20 0 GBADRO CCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000419660002 1072190193 /nfs/dbraw/zinc/19/01/93/1072190193.db2.gz BPWPYYKLBQJJFC-ZIAGYGMSSA-N 1 0 376.461 -0.368 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)n1 ZINC000419660871 1072190315 /nfs/dbraw/zinc/19/03/15/1072190315.db2.gz CUTAAZVRBQNJGX-KBPBESRZSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)n1 ZINC000419660872 1072190686 /nfs/dbraw/zinc/19/06/86/1072190686.db2.gz CUTAAZVRBQNJGX-KGLIPLIRSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)n1 ZINC000419660873 1072190287 /nfs/dbraw/zinc/19/02/87/1072190287.db2.gz CUTAAZVRBQNJGX-UONOGXRCSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)n1 ZINC000419660874 1072190583 /nfs/dbraw/zinc/19/05/83/1072190583.db2.gz CUTAAZVRBQNJGX-ZIAGYGMSSA-N 1 0 390.488 -0.074 20 0 GBADRO CC(C)OC(=O)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419661825 1072190239 /nfs/dbraw/zinc/19/02/39/1072190239.db2.gz GFIXVSYEPRGHOT-HNNXBMFYSA-N 1 0 396.488 -0.495 20 0 GBADRO CC(C)OC(=O)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419661826 1072190436 /nfs/dbraw/zinc/19/04/36/1072190436.db2.gz GFIXVSYEPRGHOT-OAHLLOKOSA-N 1 0 396.488 -0.495 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000419661916 1072190409 /nfs/dbraw/zinc/19/04/09/1072190409.db2.gz FEDIRHNSKGZDBJ-INIZCTEOSA-N 1 0 375.404 -0.144 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000419661917 1072190535 /nfs/dbraw/zinc/19/05/35/1072190535.db2.gz FEDIRHNSKGZDBJ-MRXNPFEDSA-N 1 0 375.404 -0.144 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2=O)n1 ZINC000419662240 1072188251 /nfs/dbraw/zinc/18/82/51/1072188251.db2.gz FRWQTYDIOXRIGV-IHRRRGAJSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2=O)n1 ZINC000419662241 1072188510 /nfs/dbraw/zinc/18/85/10/1072188510.db2.gz FRWQTYDIOXRIGV-MCIONIFRSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2=O)n1 ZINC000419662242 1072188395 /nfs/dbraw/zinc/18/83/95/1072188395.db2.gz FRWQTYDIOXRIGV-MJBXVCDLSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2=O)n1 ZINC000419662243 1072188552 /nfs/dbraw/zinc/18/85/52/1072188552.db2.gz FRWQTYDIOXRIGV-RDBSUJKOSA-N 1 0 376.461 -0.335 20 0 GBADRO CC(C)(C)NC(=O)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419662402 1072188405 /nfs/dbraw/zinc/18/84/05/1072188405.db2.gz OMMZSJJMHWGMJI-LLVKDONJSA-N 1 0 395.426 -0.640 20 0 GBADRO CC(C)(C)NC(=O)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419662404 1072188360 /nfs/dbraw/zinc/18/83/60/1072188360.db2.gz OMMZSJJMHWGMJI-NSHDSACASA-N 1 0 395.426 -0.640 20 0 GBADRO CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419662646 1072188308 /nfs/dbraw/zinc/18/83/08/1072188308.db2.gz OTCPHHGMMUFEAK-AWEZNQCLSA-N 1 0 395.504 -0.922 20 0 GBADRO CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419662647 1072188457 /nfs/dbraw/zinc/18/84/57/1072188457.db2.gz OTCPHHGMMUFEAK-CQSZACIVSA-N 1 0 395.504 -0.922 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419663429 1072188521 /nfs/dbraw/zinc/18/85/21/1072188521.db2.gz HXVLBYJRRSWIIF-KBPBESRZSA-N 1 0 378.477 -0.137 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419663432 1072188389 /nfs/dbraw/zinc/18/83/89/1072188389.db2.gz HXVLBYJRRSWIIF-KGLIPLIRSA-N 1 0 378.477 -0.137 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419663435 1072188470 /nfs/dbraw/zinc/18/84/70/1072188470.db2.gz HXVLBYJRRSWIIF-UONOGXRCSA-N 1 0 378.477 -0.137 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419663438 1072188179 /nfs/dbraw/zinc/18/81/79/1072188179.db2.gz HXVLBYJRRSWIIF-ZIAGYGMSSA-N 1 0 378.477 -0.137 20 0 GBADRO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419664009 1072188413 /nfs/dbraw/zinc/18/84/13/1072188413.db2.gz ITHJOWBNJMRKAX-UHFFFAOYSA-N 1 0 388.447 -0.309 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419667020 1072188386 /nfs/dbraw/zinc/18/83/86/1072188386.db2.gz RKYRHYHAMHCBNE-BFHYXJOUSA-N 1 0 382.461 -0.710 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419667021 1072188273 /nfs/dbraw/zinc/18/82/73/1072188273.db2.gz RKYRHYHAMHCBNE-MJBXVCDLSA-N 1 0 382.461 -0.710 20 0 GBADRO CN(C(=O)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419667561 1072188594 /nfs/dbraw/zinc/18/85/94/1072188594.db2.gz BXQBKHKWKVOHAF-KBPBESRZSA-N 1 0 391.403 -0.284 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO[C@@H]1C1CC1 ZINC000419668378 1072188402 /nfs/dbraw/zinc/18/84/02/1072188402.db2.gz ABIJWPGDVFSLDX-QMTMVMCOSA-N 1 0 380.489 -0.379 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO[C@@H]1C1CC1 ZINC000419668379 1072188433 /nfs/dbraw/zinc/18/84/33/1072188433.db2.gz ABIJWPGDVFSLDX-SPYBWZPUSA-N 1 0 380.489 -0.379 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCO[C@H]1C1CC1 ZINC000419668380 1072188235 /nfs/dbraw/zinc/18/82/35/1072188235.db2.gz ABIJWPGDVFSLDX-YZVOILCLSA-N 1 0 380.489 -0.379 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCO[C@H]1C1CC1 ZINC000419668381 1072188197 /nfs/dbraw/zinc/18/81/97/1072188197.db2.gz ABIJWPGDVFSLDX-ZRGWGRIASA-N 1 0 380.489 -0.379 20 0 GBADRO CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419668750 1072188331 /nfs/dbraw/zinc/18/83/31/1072188331.db2.gz DOTXCKOLQMDWIX-CABCVRRESA-N 1 0 396.488 -0.495 20 0 GBADRO CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419668751 1072188428 /nfs/dbraw/zinc/18/84/28/1072188428.db2.gz DOTXCKOLQMDWIX-GJZGRUSLSA-N 1 0 396.488 -0.495 20 0 GBADRO CCOC(=O)CC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419668753 1072188409 /nfs/dbraw/zinc/18/84/09/1072188409.db2.gz DOTXCKOLQMDWIX-HUUCEWRRSA-N 1 0 396.488 -0.495 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCN(CCO)CC2)ccc1OCC[NH+](C)C ZINC000419668825 1072188209 /nfs/dbraw/zinc/18/82/09/1072188209.db2.gz APLLCHIAKOHWEX-UHFFFAOYSA-N 1 0 394.472 -0.289 20 0 GBADRO CCOC(=O)CC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419668973 1072188258 /nfs/dbraw/zinc/18/82/58/1072188258.db2.gz DOTXCKOLQMDWIX-LSDHHAIUSA-N 1 0 396.488 -0.495 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419669152 1072188417 /nfs/dbraw/zinc/18/84/17/1072188417.db2.gz UVXDTOLZWORVPX-QJPTWQEYSA-N 1 0 394.394 -0.603 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419669155 1072188568 /nfs/dbraw/zinc/18/85/68/1072188568.db2.gz UVXDTOLZWORVPX-TUAOUCFPSA-N 1 0 394.394 -0.603 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419669491 530349761 /nfs/dbraw/zinc/34/97/61/530349761.db2.gz BMGNKHIRVZJPHX-NEPJUHHUSA-N 1 0 378.495 -0.997 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419669492 530349585 /nfs/dbraw/zinc/34/95/85/530349585.db2.gz BMGNKHIRVZJPHX-NWDGAFQWSA-N 1 0 378.495 -0.997 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419669493 530349705 /nfs/dbraw/zinc/34/97/05/530349705.db2.gz BMGNKHIRVZJPHX-RYUDHWBXSA-N 1 0 378.495 -0.997 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419669494 530349690 /nfs/dbraw/zinc/34/96/90/530349690.db2.gz BMGNKHIRVZJPHX-VXGBXAGGSA-N 1 0 378.495 -0.997 20 0 GBADRO Cn1cc(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)c2ccc(F)cc21 ZINC000419669962 1072188373 /nfs/dbraw/zinc/18/83/73/1072188373.db2.gz BVBWQLNRBZCTFE-UHFFFAOYSA-N 1 0 375.448 -0.003 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419670939 1072189122 /nfs/dbraw/zinc/18/91/22/1072189122.db2.gz XOAKRAUZUIAHBF-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419670940 1072189571 /nfs/dbraw/zinc/18/95/71/1072189571.db2.gz XOAKRAUZUIAHBF-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419671139 1072188528 /nfs/dbraw/zinc/18/85/28/1072188528.db2.gz GURPBPPXLXKPAT-CABCVRRESA-N 1 0 394.472 -0.343 20 0 GBADRO COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419671141 1072188423 /nfs/dbraw/zinc/18/84/23/1072188423.db2.gz GURPBPPXLXKPAT-GJZGRUSLSA-N 1 0 394.472 -0.343 20 0 GBADRO COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419671143 1072189700 /nfs/dbraw/zinc/18/97/00/1072189700.db2.gz GURPBPPXLXKPAT-HUUCEWRRSA-N 1 0 394.472 -0.343 20 0 GBADRO COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419671144 1072189510 /nfs/dbraw/zinc/18/95/10/1072189510.db2.gz GURPBPPXLXKPAT-LSDHHAIUSA-N 1 0 394.472 -0.343 20 0 GBADRO CN(CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)CC(F)(F)F ZINC000419672089 1072189523 /nfs/dbraw/zinc/18/95/23/1072189523.db2.gz GEXKMQQAWLXGJG-GFCCVEGCSA-N 1 0 395.426 -0.700 20 0 GBADRO CN(CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)CC(F)(F)F ZINC000419672093 1072189086 /nfs/dbraw/zinc/18/90/86/1072189086.db2.gz GEXKMQQAWLXGJG-LBPRGKRZSA-N 1 0 395.426 -0.700 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419673866 1072189660 /nfs/dbraw/zinc/18/96/60/1072189660.db2.gz NALUWVQGSKKURM-KBPBESRZSA-N 1 0 376.461 -0.368 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419673868 1072189641 /nfs/dbraw/zinc/18/96/41/1072189641.db2.gz NALUWVQGSKKURM-KGLIPLIRSA-N 1 0 376.461 -0.368 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419673870 1072189433 /nfs/dbraw/zinc/18/94/33/1072189433.db2.gz NALUWVQGSKKURM-UONOGXRCSA-N 1 0 376.461 -0.368 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419673873 1072189283 /nfs/dbraw/zinc/18/92/83/1072189283.db2.gz NALUWVQGSKKURM-ZIAGYGMSSA-N 1 0 376.461 -0.368 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2nnnn2CC2CC2)C[C@H]1c1cccc(F)c1 ZINC000419674561 1072189630 /nfs/dbraw/zinc/18/96/30/1072189630.db2.gz JDGPCEWGKKOKAT-LSDHHAIUSA-N 1 0 387.419 -0.208 20 0 GBADRO CN(C(=O)C(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000419675162 530349672 /nfs/dbraw/zinc/34/96/72/530349672.db2.gz KPEUXXREKPJZMZ-STQMWFEESA-N 1 0 398.257 -0.209 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419676745 1072189575 /nfs/dbraw/zinc/18/95/75/1072189575.db2.gz PPRSLVDZHXUCCH-AVGNSLFASA-N 1 0 392.460 -0.739 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419676748 1072189037 /nfs/dbraw/zinc/18/90/37/1072189037.db2.gz PPRSLVDZHXUCCH-RWMBFGLXSA-N 1 0 392.460 -0.739 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419676751 1072189447 /nfs/dbraw/zinc/18/94/47/1072189447.db2.gz PPRSLVDZHXUCCH-XQQFMLRXSA-N 1 0 392.460 -0.739 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419676755 1072189666 /nfs/dbraw/zinc/18/96/66/1072189666.db2.gz PPRSLVDZHXUCCH-YNEHKIRRSA-N 1 0 392.460 -0.739 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419677710 1072189685 /nfs/dbraw/zinc/18/96/85/1072189685.db2.gz NDGSPOKBSSUIGY-UHFFFAOYSA-N 1 0 384.502 -0.238 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCc2nnnn2CC2CC2)C2CC3CC(C2)CC1C3 ZINC000419677814 1072189647 /nfs/dbraw/zinc/18/96/47/1072189647.db2.gz NGSYOCGFMXVFAX-UHFFFAOYSA-N 1 0 387.488 -0.031 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419678688 1072189206 /nfs/dbraw/zinc/18/92/06/1072189206.db2.gz ONGHGEZNRKJHSS-HNNXBMFYSA-N 1 0 388.534 -0.235 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419678691 1072189585 /nfs/dbraw/zinc/18/95/85/1072189585.db2.gz ONGHGEZNRKJHSS-OAHLLOKOSA-N 1 0 388.534 -0.235 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419680286 1072189606 /nfs/dbraw/zinc/18/96/06/1072189606.db2.gz QOBNPBQHOYGZIU-UHFFFAOYSA-N 1 0 388.534 -0.234 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419680727 530349699 /nfs/dbraw/zinc/34/96/99/530349699.db2.gz RDRGORXXGANHEA-AWEZNQCLSA-N 1 0 376.523 -0.202 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419680728 530349682 /nfs/dbraw/zinc/34/96/82/530349682.db2.gz RDRGORXXGANHEA-CQSZACIVSA-N 1 0 376.523 -0.202 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1C[NH3+] ZINC000419681029 1072189062 /nfs/dbraw/zinc/18/90/62/1072189062.db2.gz TWTVNEKEPQMFNO-HZSPNIEDSA-N 1 0 376.461 -0.525 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C[NH3+] ZINC000419681034 1072189570 /nfs/dbraw/zinc/18/95/70/1072189570.db2.gz TWTVNEKEPQMFNO-MCIONIFRSA-N 1 0 376.461 -0.525 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1C[NH3+] ZINC000419681037 1072189419 /nfs/dbraw/zinc/18/94/19/1072189419.db2.gz TWTVNEKEPQMFNO-MGPQQGTHSA-N 1 0 376.461 -0.525 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1C[NH3+] ZINC000419681039 1072189503 /nfs/dbraw/zinc/18/95/03/1072189503.db2.gz TWTVNEKEPQMFNO-RDBSUJKOSA-N 1 0 376.461 -0.525 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)C2=O)n1 ZINC000419681675 1072189595 /nfs/dbraw/zinc/18/95/95/1072189595.db2.gz ULHNIFVBCQSJIK-CABCVRRESA-N 1 0 384.440 -0.152 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)C2=O)n1 ZINC000419681953 1072189167 /nfs/dbraw/zinc/18/91/67/1072189167.db2.gz ULHNIFVBCQSJIK-GJZGRUSLSA-N 1 0 384.440 -0.152 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)C2=O)n1 ZINC000419681954 1072189673 /nfs/dbraw/zinc/18/96/73/1072189673.db2.gz ULHNIFVBCQSJIK-HUUCEWRRSA-N 1 0 384.440 -0.152 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)C2=O)n1 ZINC000419681955 1072189615 /nfs/dbraw/zinc/18/96/15/1072189615.db2.gz ULHNIFVBCQSJIK-LSDHHAIUSA-N 1 0 384.440 -0.152 20 0 GBADRO C[C@H]([C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCOCC1 ZINC000419682876 1072189305 /nfs/dbraw/zinc/18/93/05/1072189305.db2.gz KIOLJLCPJKCZEL-ARFHVFGLSA-N 1 0 397.520 -0.942 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H](C)N1CCOCC1 ZINC000419682881 1072189250 /nfs/dbraw/zinc/18/92/50/1072189250.db2.gz KIOLJLCPJKCZEL-HRCADAONSA-N 1 0 397.520 -0.942 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H](C)N1CCOCC1 ZINC000419682885 1072189467 /nfs/dbraw/zinc/18/94/67/1072189467.db2.gz KIOLJLCPJKCZEL-JYJNAYRXSA-N 1 0 397.520 -0.942 20 0 GBADRO C[C@H]([C@H](C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCOCC1 ZINC000419682890 1072189363 /nfs/dbraw/zinc/18/93/63/1072189363.db2.gz KIOLJLCPJKCZEL-XHSDSOJGSA-N 1 0 397.520 -0.942 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419683489 530349594 /nfs/dbraw/zinc/34/95/94/530349594.db2.gz VEGDSSLIOICXDO-UHFFFAOYSA-N 1 0 376.523 -0.058 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCC(=O)N(C)C)cc1 ZINC000419683845 1072189543 /nfs/dbraw/zinc/18/95/43/1072189543.db2.gz LBKSRSAVLSBGMV-CVEARBPZSA-N 1 0 376.457 -0.149 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCC(=O)N(C)C)cc1 ZINC000419683848 1072190713 /nfs/dbraw/zinc/19/07/13/1072190713.db2.gz LBKSRSAVLSBGMV-HOTGVXAUSA-N 1 0 376.457 -0.149 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCC(=O)N(C)C)cc1 ZINC000419683851 1072190454 /nfs/dbraw/zinc/19/04/54/1072190454.db2.gz LBKSRSAVLSBGMV-HZPDHXFCSA-N 1 0 376.457 -0.149 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCC(=O)N(C)C)cc1 ZINC000419683853 1072190717 /nfs/dbraw/zinc/19/07/17/1072190717.db2.gz LBKSRSAVLSBGMV-JKSUJKDBSA-N 1 0 376.457 -0.149 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC[NH2+]C)s1 ZINC000419684184 530349738 /nfs/dbraw/zinc/34/97/38/530349738.db2.gz WDPMNBCHYCZRGG-UHFFFAOYSA-N 1 0 390.531 -0.227 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419684214 1072188382 /nfs/dbraw/zinc/18/83/82/1072188382.db2.gz WGCOGFQHSCCZLO-BFHYXJOUSA-N 1 0 376.461 -0.240 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419684216 1072188476 /nfs/dbraw/zinc/18/84/76/1072188476.db2.gz WGCOGFQHSCCZLO-IHRRRGAJSA-N 1 0 376.461 -0.240 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419684218 1072188216 /nfs/dbraw/zinc/18/82/16/1072188216.db2.gz WGCOGFQHSCCZLO-MELADBBJSA-N 1 0 376.461 -0.240 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000419684220 1072188582 /nfs/dbraw/zinc/18/85/82/1072188582.db2.gz WGCOGFQHSCCZLO-MJBXVCDLSA-N 1 0 376.461 -0.240 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)n1 ZINC000419684914 1072191148 /nfs/dbraw/zinc/19/11/48/1072191148.db2.gz WTZJNGPEPOMLRN-KBPBESRZSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)n1 ZINC000419684915 1072191561 /nfs/dbraw/zinc/19/15/61/1072191561.db2.gz WTZJNGPEPOMLRN-KGLIPLIRSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)n1 ZINC000419684916 1072191388 /nfs/dbraw/zinc/19/13/88/1072191388.db2.gz WTZJNGPEPOMLRN-UONOGXRCSA-N 1 0 376.461 -0.335 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)n1 ZINC000419684917 1072191508 /nfs/dbraw/zinc/19/15/08/1072191508.db2.gz WTZJNGPEPOMLRN-ZIAGYGMSSA-N 1 0 376.461 -0.335 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419685224 530349755 /nfs/dbraw/zinc/34/97/55/530349755.db2.gz ZIFCFDASSBGJJV-UHFFFAOYSA-N 1 0 386.246 -0.220 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N[C@H](C)C[NH3+])s1 ZINC000419685525 530349665 /nfs/dbraw/zinc/34/96/65/530349665.db2.gz XDYHJZUJYSVZIH-LLVKDONJSA-N 1 0 390.531 -0.099 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N[C@@H](C)C[NH3+])s1 ZINC000419685526 530349445 /nfs/dbraw/zinc/34/94/45/530349445.db2.gz XDYHJZUJYSVZIH-NSHDSACASA-N 1 0 390.531 -0.099 20 0 GBADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 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/nfs/dbraw/zinc/19/20/73/1072192073.db2.gz ZMNRSKUGYPKSPD-DZGCQCFKSA-N 1 0 387.419 -0.208 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000419686742 1072192356 /nfs/dbraw/zinc/19/23/56/1072192356.db2.gz XWITUYJUCYCVIF-NEPJUHHUSA-N 1 0 378.395 -0.029 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000419686745 1072192521 /nfs/dbraw/zinc/19/25/21/1072192521.db2.gz XWITUYJUCYCVIF-NWDGAFQWSA-N 1 0 378.395 -0.029 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000419686747 1072192085 /nfs/dbraw/zinc/19/20/85/1072192085.db2.gz XWITUYJUCYCVIF-RYUDHWBXSA-N 1 0 378.395 -0.029 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(F)(F)F ZINC000419686749 1072192399 /nfs/dbraw/zinc/19/23/99/1072192399.db2.gz XWITUYJUCYCVIF-VXGBXAGGSA-N 1 0 378.395 -0.029 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2=O)n1 ZINC000419687092 1072192034 /nfs/dbraw/zinc/19/20/34/1072192034.db2.gz YRXWFEUMOMVACO-CYBMUJFWSA-N 1 0 376.461 -0.191 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2=O)n1 ZINC000419687095 1072192079 /nfs/dbraw/zinc/19/20/79/1072192079.db2.gz YRXWFEUMOMVACO-ZDUSSCGKSA-N 1 0 376.461 -0.191 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419689263 530349687 /nfs/dbraw/zinc/34/96/87/530349687.db2.gz AHDVYDWDRAFDFQ-CYBMUJFWSA-N 1 0 376.523 -0.331 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419689266 530349454 /nfs/dbraw/zinc/34/94/54/530349454.db2.gz AHDVYDWDRAFDFQ-ZDUSSCGKSA-N 1 0 376.523 -0.331 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419689577 530349703 /nfs/dbraw/zinc/34/97/03/530349703.db2.gz APIXHAIBECAMDE-CYBMUJFWSA-N 1 0 392.547 -0.918 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419689579 530349719 /nfs/dbraw/zinc/34/97/19/530349719.db2.gz APIXHAIBECAMDE-ZDUSSCGKSA-N 1 0 392.547 -0.918 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000419691072 1072192493 /nfs/dbraw/zinc/19/24/93/1072192493.db2.gz LVXDUCWCJXOFNO-CYBMUJFWSA-N 1 0 380.420 -0.236 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000419691073 1072192267 /nfs/dbraw/zinc/19/22/67/1072192267.db2.gz LVXDUCWCJXOFNO-ZDUSSCGKSA-N 1 0 380.420 -0.236 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCCCC1 ZINC000419691670 530349457 /nfs/dbraw/zinc/34/94/57/530349457.db2.gz FKXTXHXGXRWRNN-UHFFFAOYSA-N 1 0 392.547 -0.741 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCS(=O)(=O)N(CC)CC)CC1 ZINC000419691902 530349473 /nfs/dbraw/zinc/34/94/73/530349473.db2.gz ATOGFGPDLUYFNU-UHFFFAOYSA-N 1 0 376.523 -0.378 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419692531 1072192045 /nfs/dbraw/zinc/19/20/45/1072192045.db2.gz GJZAQGDDKIITFU-UHFFFAOYSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419693129 1072192501 /nfs/dbraw/zinc/19/25/01/1072192501.db2.gz IIZOXWGQCWMVST-UHFFFAOYSA-N 1 0 384.502 -0.238 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419694254 530349679 /nfs/dbraw/zinc/34/96/79/530349679.db2.gz KAPJABYCWXOHNN-AWEZNQCLSA-N 1 0 376.523 -0.202 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419694255 530349725 /nfs/dbraw/zinc/34/97/25/530349725.db2.gz KAPJABYCWXOHNN-CQSZACIVSA-N 1 0 376.523 -0.202 20 0 GBADRO CCCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000419694534 530349658 /nfs/dbraw/zinc/34/96/58/530349658.db2.gz KPINYBAWGFWYJT-CYBMUJFWSA-N 1 0 392.547 -0.918 20 0 GBADRO CCCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000419694535 530349708 /nfs/dbraw/zinc/34/97/08/530349708.db2.gz KPINYBAWGFWYJT-ZDUSSCGKSA-N 1 0 392.547 -0.918 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419694607 530349730 /nfs/dbraw/zinc/34/97/30/530349730.db2.gz LBYBSFDPNNVODJ-NEPJUHHUSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419694608 530349552 /nfs/dbraw/zinc/34/95/52/530349552.db2.gz LBYBSFDPNNVODJ-NWDGAFQWSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419694609 530349727 /nfs/dbraw/zinc/34/97/27/530349727.db2.gz LBYBSFDPNNVODJ-RYUDHWBXSA-N 1 0 378.495 -0.997 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419694610 530349632 /nfs/dbraw/zinc/34/96/32/530349632.db2.gz LBYBSFDPNNVODJ-VXGBXAGGSA-N 1 0 378.495 -0.997 20 0 GBADRO CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000419694671 1072192306 /nfs/dbraw/zinc/19/23/06/1072192306.db2.gz QJPAELRSZBEZPT-UHFFFAOYSA-N 1 0 378.429 -0.222 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)cc2)C1 ZINC000419694717 1072192455 /nfs/dbraw/zinc/19/24/55/1072192455.db2.gz QQBPSSSDNZQYPZ-CYBMUJFWSA-N 1 0 380.420 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)cc2)C1 ZINC000419694718 1072192041 /nfs/dbraw/zinc/19/20/41/1072192041.db2.gz QQBPSSSDNZQYPZ-ZDUSSCGKSA-N 1 0 380.420 -0.366 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419694731 530349491 /nfs/dbraw/zinc/34/94/91/530349491.db2.gz LEFTXPRKRFXKSA-GFCCVEGCSA-N 1 0 380.536 -0.885 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419694732 530349567 /nfs/dbraw/zinc/34/95/67/530349567.db2.gz LEFTXPRKRFXKSA-LBPRGKRZSA-N 1 0 380.536 -0.885 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419694776 530349692 /nfs/dbraw/zinc/34/96/92/530349692.db2.gz LLWQJNBTONNUIZ-UHFFFAOYSA-N 1 0 380.536 -0.885 20 0 GBADRO COc1ccc(OC)c(CCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419694876 1072192463 /nfs/dbraw/zinc/19/24/63/1072192463.db2.gz JWJLEXBXLCHEQF-UHFFFAOYSA-N 1 0 378.473 -0.226 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)ccc1OCC[NH+](C)C ZINC000419695165 1072192441 /nfs/dbraw/zinc/19/24/41/1072192441.db2.gz MGGSZJFBIWIGJM-GFCCVEGCSA-N 1 0 378.429 -0.079 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000419695167 1072192191 /nfs/dbraw/zinc/19/21/91/1072192191.db2.gz MGGSZJFBIWIGJM-LBPRGKRZSA-N 1 0 378.429 -0.079 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419695806 1072192203 /nfs/dbraw/zinc/19/22/03/1072192203.db2.gz NDWOBBHXHLPKSR-UHFFFAOYSA-N 1 0 388.534 -0.234 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H]1C[NH3+] ZINC000419695826 530349721 /nfs/dbraw/zinc/34/97/21/530349721.db2.gz NFWKZGSUGZPLQM-CHWSQXEVSA-N 1 0 392.547 -0.933 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H]1C[NH3+] ZINC000419695827 530349776 /nfs/dbraw/zinc/34/97/76/530349776.db2.gz NFWKZGSUGZPLQM-OLZOCXBDSA-N 1 0 392.547 -0.933 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H]1C[NH3+] ZINC000419695828 530349701 /nfs/dbraw/zinc/34/97/01/530349701.db2.gz NFWKZGSUGZPLQM-QWHCGFSZSA-N 1 0 392.547 -0.933 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H]1C[NH3+] ZINC000419695829 530349577 /nfs/dbraw/zinc/34/95/77/530349577.db2.gz NFWKZGSUGZPLQM-STQMWFEESA-N 1 0 392.547 -0.933 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419697207 1072193291 /nfs/dbraw/zinc/19/32/91/1072193291.db2.gz QIJMFXJDDCTDTH-JKSUJKDBSA-N 1 0 396.513 -0.273 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419698456 530349709 /nfs/dbraw/zinc/34/97/09/530349709.db2.gz SSNWGOCOULZKQF-UHFFFAOYSA-N 1 0 384.911 -0.091 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419698814 530349639 /nfs/dbraw/zinc/34/96/39/530349639.db2.gz UITVHSODYFGDGC-CYBMUJFWSA-N 1 0 394.563 -0.687 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419698816 530349681 /nfs/dbraw/zinc/34/96/81/530349681.db2.gz UITVHSODYFGDGC-ZDUSSCGKSA-N 1 0 394.563 -0.687 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419699525 1072193216 /nfs/dbraw/zinc/19/32/16/1072193216.db2.gz ARGKFCBQKXHZCE-HNNXBMFYSA-N 1 0 375.473 -0.589 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419699527 1072193185 /nfs/dbraw/zinc/19/31/85/1072193185.db2.gz ARGKFCBQKXHZCE-OAHLLOKOSA-N 1 0 375.473 -0.589 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCC1 ZINC000419699574 530349714 /nfs/dbraw/zinc/34/97/14/530349714.db2.gz WMNQPRAZLLUNLV-CYBMUJFWSA-N 1 0 392.547 -0.885 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCC1 ZINC000419699576 530349522 /nfs/dbraw/zinc/34/95/22/530349522.db2.gz WMNQPRAZLLUNLV-ZDUSSCGKSA-N 1 0 392.547 -0.885 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])[C@@H]1OC ZINC000419699747 1072193016 /nfs/dbraw/zinc/19/30/16/1072193016.db2.gz BQYFBCLWJJOMIL-AYDFFVQHSA-N 1 0 384.477 -0.859 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@@H]1OC ZINC000419699757 1072193237 /nfs/dbraw/zinc/19/32/37/1072193237.db2.gz BQYFBCLWJJOMIL-CTASWTNQSA-N 1 0 384.477 -0.859 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[C@H]1OC ZINC000419699760 1072192986 /nfs/dbraw/zinc/19/29/86/1072192986.db2.gz BQYFBCLWJJOMIL-HLPPOEQASA-N 1 0 384.477 -0.859 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])[C@H]1OC ZINC000419699763 1072193163 /nfs/dbraw/zinc/19/31/63/1072193163.db2.gz BQYFBCLWJJOMIL-TTZDDIAXSA-N 1 0 384.477 -0.859 20 0 GBADRO CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000419700028 1072193085 /nfs/dbraw/zinc/19/30/85/1072193085.db2.gz WVSWWWUNWNAEDC-HNNXBMFYSA-N 1 0 391.472 -0.200 20 0 GBADRO CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000419700030 1072193275 /nfs/dbraw/zinc/19/32/75/1072193275.db2.gz WVSWWWUNWNAEDC-OAHLLOKOSA-N 1 0 391.472 -0.200 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC000419700049 1072193188 /nfs/dbraw/zinc/19/31/88/1072193188.db2.gz WXMWXJPOHTZUDJ-IKGGRYGDSA-N 1 0 377.441 -0.212 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 ZINC000419700051 1072193272 /nfs/dbraw/zinc/19/32/72/1072193272.db2.gz WXMWXJPOHTZUDJ-IXDOHACOSA-N 1 0 377.441 -0.212 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC000419700053 1072193214 /nfs/dbraw/zinc/19/32/14/1072193214.db2.gz WXMWXJPOHTZUDJ-ULQDDVLXSA-N 1 0 377.441 -0.212 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H]2COCCO2)cc1 ZINC000419700055 1072193108 /nfs/dbraw/zinc/19/31/08/1072193108.db2.gz WXMWXJPOHTZUDJ-YESZJQIVSA-N 1 0 377.441 -0.212 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419700150 530349767 /nfs/dbraw/zinc/34/97/67/530349767.db2.gz XKSIBHRBWVNOLQ-CHWSQXEVSA-N 1 0 392.547 -0.885 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419700151 530349733 /nfs/dbraw/zinc/34/97/33/530349733.db2.gz XKSIBHRBWVNOLQ-OLZOCXBDSA-N 1 0 392.547 -0.885 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419700152 530349661 /nfs/dbraw/zinc/34/96/61/530349661.db2.gz XKSIBHRBWVNOLQ-QWHCGFSZSA-N 1 0 392.547 -0.885 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419700153 530349696 /nfs/dbraw/zinc/34/96/96/530349696.db2.gz XKSIBHRBWVNOLQ-STQMWFEESA-N 1 0 392.547 -0.885 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C1CCCC1 ZINC000419700530 1072193206 /nfs/dbraw/zinc/19/32/06/1072193206.db2.gz XOQIFJONOMCXQU-INIZCTEOSA-N 1 0 379.505 -0.600 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C1CCCC1 ZINC000419700531 1072193168 /nfs/dbraw/zinc/19/31/68/1072193168.db2.gz XOQIFJONOMCXQU-MRXNPFEDSA-N 1 0 379.505 -0.600 20 0 GBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419700571 1072193117 /nfs/dbraw/zinc/19/31/17/1072193117.db2.gz XRDSARUWMDTZSG-DOTOQJQBSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419700573 1072193225 /nfs/dbraw/zinc/19/32/25/1072193225.db2.gz XRDSARUWMDTZSG-NVXWUHKLSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419700576 1072193092 /nfs/dbraw/zinc/19/30/92/1072193092.db2.gz XRDSARUWMDTZSG-RDJZCZTQSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419700578 1072193028 /nfs/dbraw/zinc/19/30/28/1072193028.db2.gz XRDSARUWMDTZSG-WBVHZDCISA-N 1 0 391.516 -0.458 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419701849 530349604 /nfs/dbraw/zinc/34/96/04/530349604.db2.gz ZJAWXGUNRMIOQH-CHWSQXEVSA-N 1 0 392.547 -0.791 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419701852 530349673 /nfs/dbraw/zinc/34/96/73/530349673.db2.gz ZJAWXGUNRMIOQH-OLZOCXBDSA-N 1 0 392.547 -0.791 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419701856 530349480 /nfs/dbraw/zinc/34/94/80/530349480.db2.gz ZJAWXGUNRMIOQH-QWHCGFSZSA-N 1 0 392.547 -0.791 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000419701859 530349724 /nfs/dbraw/zinc/34/97/24/530349724.db2.gz ZJAWXGUNRMIOQH-STQMWFEESA-N 1 0 392.547 -0.791 20 0 GBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419702974 1072190419 /nfs/dbraw/zinc/19/04/19/1072190419.db2.gz FPSWHUUVBLKDEB-AWEZNQCLSA-N 1 0 395.504 -0.745 20 0 GBADRO CCNC(=O)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419702975 1072190632 /nfs/dbraw/zinc/19/06/32/1072190632.db2.gz FPSWHUUVBLKDEB-CQSZACIVSA-N 1 0 395.504 -0.745 20 0 GBADRO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000419703101 1072190557 /nfs/dbraw/zinc/19/05/57/1072190557.db2.gz CJPNMOPSKKDLAE-OKILXGFUSA-N 1 0 395.481 -0.062 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000419705294 1072190704 /nfs/dbraw/zinc/19/07/04/1072190704.db2.gz AKKOYDJQEZINIE-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO CCCN(C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC[NH2+]C1 ZINC000419705295 1072190097 /nfs/dbraw/zinc/19/00/97/1072190097.db2.gz AKKOYDJQEZINIE-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 ZINC000419705727 1072190125 /nfs/dbraw/zinc/19/01/25/1072190125.db2.gz BCHFBSCLKIAUIX-AWEZNQCLSA-N 1 0 393.488 -0.009 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 ZINC000419705729 1072190698 /nfs/dbraw/zinc/19/06/98/1072190698.db2.gz BCHFBSCLKIAUIX-CQSZACIVSA-N 1 0 393.488 -0.009 20 0 GBADRO O=C(NCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419705924 1072190361 /nfs/dbraw/zinc/19/03/61/1072190361.db2.gz BSJKFSGOCPNOCT-BETUJISGSA-N 1 0 377.445 -0.680 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000419706629 1072190690 /nfs/dbraw/zinc/19/06/90/1072190690.db2.gz CUSAMPAVYHMBPF-GFCCVEGCSA-N 1 0 398.460 -0.198 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000419706630 1072190308 /nfs/dbraw/zinc/19/03/08/1072190308.db2.gz CUSAMPAVYHMBPF-LBPRGKRZSA-N 1 0 398.460 -0.198 20 0 GBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1=O ZINC000419707434 1072191537 /nfs/dbraw/zinc/19/15/37/1072191537.db2.gz FTCXFVSXFZDYFR-KBPBESRZSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1=O ZINC000419707435 1072191522 /nfs/dbraw/zinc/19/15/22/1072191522.db2.gz FTCXFVSXFZDYFR-KGLIPLIRSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1=O ZINC000419707436 1072191246 /nfs/dbraw/zinc/19/12/46/1072191246.db2.gz FTCXFVSXFZDYFR-UONOGXRCSA-N 1 0 390.488 -0.074 20 0 GBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1=O ZINC000419707437 1072191002 /nfs/dbraw/zinc/19/10/02/1072191002.db2.gz FTCXFVSXFZDYFR-ZIAGYGMSSA-N 1 0 390.488 -0.074 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707796 1072190325 /nfs/dbraw/zinc/19/03/25/1072190325.db2.gz GEPQOHHXMVQROR-NEPJUHHUSA-N 1 0 395.460 -0.804 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707797 1072190598 /nfs/dbraw/zinc/19/05/98/1072190598.db2.gz GEPQOHHXMVQROR-NWDGAFQWSA-N 1 0 395.460 -0.804 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707798 1072190482 /nfs/dbraw/zinc/19/04/82/1072190482.db2.gz GEPQOHHXMVQROR-RYUDHWBXSA-N 1 0 395.460 -0.804 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419707799 1072191604 /nfs/dbraw/zinc/19/16/04/1072191604.db2.gz GEPQOHHXMVQROR-VXGBXAGGSA-N 1 0 395.460 -0.804 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCC[NH2+]C1 ZINC000419708233 1072191269 /nfs/dbraw/zinc/19/12/69/1072191269.db2.gz HCBUBDABNBDFLB-KRWDZBQOSA-N 1 0 379.461 -0.527 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCC[NH2+]C1 ZINC000419708234 1072191515 /nfs/dbraw/zinc/19/15/15/1072191515.db2.gz HCBUBDABNBDFLB-QGZVFWFLSA-N 1 0 379.461 -0.527 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C[NH3+] ZINC000419708434 1072191576 /nfs/dbraw/zinc/19/15/76/1072191576.db2.gz HOCWPDIFYLSAGA-CHWSQXEVSA-N 1 0 379.461 -0.447 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1C[NH3+] ZINC000419708437 1072191494 /nfs/dbraw/zinc/19/14/94/1072191494.db2.gz HOCWPDIFYLSAGA-OLZOCXBDSA-N 1 0 379.461 -0.447 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]1C[NH3+] ZINC000419708439 1072191599 /nfs/dbraw/zinc/19/15/99/1072191599.db2.gz HOCWPDIFYLSAGA-QWHCGFSZSA-N 1 0 379.461 -0.447 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]1C[NH3+] ZINC000419708440 1072191395 /nfs/dbraw/zinc/19/13/95/1072191395.db2.gz HOCWPDIFYLSAGA-STQMWFEESA-N 1 0 379.461 -0.447 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419708559 1072191102 /nfs/dbraw/zinc/19/11/02/1072191102.db2.gz HZLCMYIWRHLIDE-CHWSQXEVSA-N 1 0 379.461 -0.305 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419708560 1072191442 /nfs/dbraw/zinc/19/14/42/1072191442.db2.gz HZLCMYIWRHLIDE-OLZOCXBDSA-N 1 0 379.461 -0.305 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419708561 1072191259 /nfs/dbraw/zinc/19/12/59/1072191259.db2.gz HZLCMYIWRHLIDE-QWHCGFSZSA-N 1 0 379.461 -0.305 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419708562 1072191169 /nfs/dbraw/zinc/19/11/69/1072191169.db2.gz HZLCMYIWRHLIDE-STQMWFEESA-N 1 0 379.461 -0.305 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419709460 1072191543 /nfs/dbraw/zinc/19/15/43/1072191543.db2.gz KBTJHUNUNHWJTP-CYBMUJFWSA-N 1 0 393.488 -0.138 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419709461 1072191226 /nfs/dbraw/zinc/19/12/26/1072191226.db2.gz KBTJHUNUNHWJTP-ZDUSSCGKSA-N 1 0 393.488 -0.138 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@@H]1OC ZINC000419709675 1072191365 /nfs/dbraw/zinc/19/13/65/1072191365.db2.gz NBZAZPXBEUKFFS-CWVYHPPDSA-N 1 0 381.473 -0.478 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@H]1OC ZINC000419709677 1072191323 /nfs/dbraw/zinc/19/13/23/1072191323.db2.gz NBZAZPXBEUKFFS-IBEHDNSVSA-N 1 0 381.473 -0.478 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@@H]1OC ZINC000419709680 1072191334 /nfs/dbraw/zinc/19/13/34/1072191334.db2.gz NBZAZPXBEUKFFS-LJIZCISZSA-N 1 0 381.473 -0.478 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)[C@H]1OC ZINC000419709682 1072191208 /nfs/dbraw/zinc/19/12/08/1072191208.db2.gz NBZAZPXBEUKFFS-LYYZXLFJSA-N 1 0 381.473 -0.478 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419709814 1072191525 /nfs/dbraw/zinc/19/15/25/1072191525.db2.gz KOEGTGQJQXTCIU-CYBMUJFWSA-N 1 0 379.461 -0.432 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419709815 1072191455 /nfs/dbraw/zinc/19/14/55/1072191455.db2.gz KOEGTGQJQXTCIU-ZDUSSCGKSA-N 1 0 379.461 -0.432 20 0 GBADRO O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419710110 1072191615 /nfs/dbraw/zinc/19/16/15/1072191615.db2.gz LAEFXVSVABEUTH-AWEZNQCLSA-N 1 0 380.876 -0.081 20 0 GBADRO O=C(NCCN1CCc2c(Cl)cccc2C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419710111 1072191582 /nfs/dbraw/zinc/19/15/82/1072191582.db2.gz LAEFXVSVABEUTH-CQSZACIVSA-N 1 0 380.876 -0.081 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C[NH3+] ZINC000419710574 1072191564 /nfs/dbraw/zinc/19/15/64/1072191564.db2.gz LQZMMYNNMRCWSS-CHWSQXEVSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000419710575 1072191503 /nfs/dbraw/zinc/19/15/03/1072191503.db2.gz LQZMMYNNMRCWSS-OLZOCXBDSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C[NH3+] ZINC000419710576 1072191023 /nfs/dbraw/zinc/19/10/23/1072191023.db2.gz LQZMMYNNMRCWSS-QWHCGFSZSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000419710577 1072191198 /nfs/dbraw/zinc/19/11/98/1072191198.db2.gz LQZMMYNNMRCWSS-STQMWFEESA-N 1 0 379.461 -0.590 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419710616 1072191630 /nfs/dbraw/zinc/19/16/30/1072191630.db2.gz LWLQJZWVEBAOLR-CHWSQXEVSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419710617 1072191487 /nfs/dbraw/zinc/19/14/87/1072191487.db2.gz LWLQJZWVEBAOLR-OLZOCXBDSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419710618 1072191477 /nfs/dbraw/zinc/19/14/77/1072191477.db2.gz LWLQJZWVEBAOLR-QWHCGFSZSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419710779 1072191293 /nfs/dbraw/zinc/19/12/93/1072191293.db2.gz LWLQJZWVEBAOLR-STQMWFEESA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C[C@H]21 ZINC000419711036 1072191340 /nfs/dbraw/zinc/19/13/40/1072191340.db2.gz MSYOUPRNIKZRBY-BFHYXJOUSA-N 1 0 391.472 -0.447 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]21 ZINC000419711037 1072191327 /nfs/dbraw/zinc/19/13/27/1072191327.db2.gz MSYOUPRNIKZRBY-HZSPNIEDSA-N 1 0 391.472 -0.447 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C[C@@H]21 ZINC000419711039 1072191570 /nfs/dbraw/zinc/19/15/70/1072191570.db2.gz MSYOUPRNIKZRBY-MELADBBJSA-N 1 0 391.472 -0.447 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C[C@H]21 ZINC000419711040 1072191174 /nfs/dbraw/zinc/19/11/74/1072191174.db2.gz MSYOUPRNIKZRBY-MGPQQGTHSA-N 1 0 391.472 -0.447 20 0 GBADRO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000419711286 1072195059 /nfs/dbraw/zinc/19/50/59/1072195059.db2.gz JRAYUPOYPSVXRP-DLBZAZTESA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000419711289 1072194704 /nfs/dbraw/zinc/19/47/04/1072194704.db2.gz JRAYUPOYPSVXRP-IAGOWNOFSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000419711290 1072194881 /nfs/dbraw/zinc/19/48/81/1072194881.db2.gz JRAYUPOYPSVXRP-IRXDYDNUSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[NH+]1CCCCC1 ZINC000419711292 1072194979 /nfs/dbraw/zinc/19/49/79/1072194979.db2.gz JRAYUPOYPSVXRP-SJORKVTESA-N 1 0 393.532 -0.210 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000419711430 1072194753 /nfs/dbraw/zinc/19/47/53/1072194753.db2.gz NMMPWMBQYCHULE-UHFFFAOYSA-N 1 0 393.919 -0.164 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCCCC1 ZINC000419712807 1072194795 /nfs/dbraw/zinc/19/47/95/1072194795.db2.gz QAGLESCXOQAILN-UHFFFAOYSA-N 1 0 379.461 -0.255 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)C1CCCC1 ZINC000419713835 1072195100 /nfs/dbraw/zinc/19/51/00/1072195100.db2.gz SEQNQFFKFURABW-CYBMUJFWSA-N 1 0 379.461 -0.399 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)C1CCCC1 ZINC000419713837 1072194948 /nfs/dbraw/zinc/19/49/48/1072194948.db2.gz SEQNQFFKFURABW-ZDUSSCGKSA-N 1 0 379.461 -0.399 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419713863 1072195051 /nfs/dbraw/zinc/19/50/51/1072195051.db2.gz SHIGVUGJFOTCGN-CYBMUJFWSA-N 1 0 381.477 -0.201 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000419713866 1072194939 /nfs/dbraw/zinc/19/49/39/1072194939.db2.gz SHIGVUGJFOTCGN-ZDUSSCGKSA-N 1 0 381.477 -0.201 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)(N2CCOCC2)C1 ZINC000419715170 1072195032 /nfs/dbraw/zinc/19/50/32/1072195032.db2.gz AGMMQGJOVJJPPX-HLVUACMISA-N 1 0 394.516 -0.275 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1=O ZINC000419715267 1072195643 /nfs/dbraw/zinc/19/56/43/1072195643.db2.gz APGHMDGRLWQMBY-IHRRRGAJSA-N 1 0 376.461 -0.277 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1=O ZINC000419715268 1072195880 /nfs/dbraw/zinc/19/58/80/1072195880.db2.gz APGHMDGRLWQMBY-MCIONIFRSA-N 1 0 376.461 -0.277 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1=O ZINC000419715270 1072195889 /nfs/dbraw/zinc/19/58/89/1072195889.db2.gz APGHMDGRLWQMBY-MJBXVCDLSA-N 1 0 376.461 -0.277 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1=O ZINC000419715271 1072195777 /nfs/dbraw/zinc/19/57/77/1072195777.db2.gz APGHMDGRLWQMBY-RDBSUJKOSA-N 1 0 376.461 -0.277 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000419716207 1072195706 /nfs/dbraw/zinc/19/57/06/1072195706.db2.gz XCCSYVUKCQBJJC-AWEZNQCLSA-N 1 0 387.440 -0.217 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000419716208 1072195735 /nfs/dbraw/zinc/19/57/35/1072195735.db2.gz XCCSYVUKCQBJJC-CQSZACIVSA-N 1 0 387.440 -0.217 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC[NH2+]1 ZINC000419716662 1072195761 /nfs/dbraw/zinc/19/57/61/1072195761.db2.gz YSQQUAVTTGLKGD-GFCCVEGCSA-N 1 0 398.460 -0.198 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC[NH2+]1 ZINC000419716663 1072195380 /nfs/dbraw/zinc/19/53/80/1072195380.db2.gz YSQQUAVTTGLKGD-LBPRGKRZSA-N 1 0 398.460 -0.198 20 0 GBADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419718136 1072195729 /nfs/dbraw/zinc/19/57/29/1072195729.db2.gz WAYDGKXOGFSDTH-MCIONIFRSA-N 1 0 382.461 -0.852 20 0 GBADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419718138 1072195829 /nfs/dbraw/zinc/19/58/29/1072195829.db2.gz WAYDGKXOGFSDTH-RDBSUJKOSA-N 1 0 382.461 -0.852 20 0 GBADRO O=C(NCCCOC(F)F)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419720885 1072195444 /nfs/dbraw/zinc/19/54/44/1072195444.db2.gz GFWNPMFKMDMHLO-GFCCVEGCSA-N 1 0 376.404 -0.598 20 0 GBADRO O=C(NCCCOC(F)F)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419720888 1072195832 /nfs/dbraw/zinc/19/58/32/1072195832.db2.gz GFWNPMFKMDMHLO-LBPRGKRZSA-N 1 0 376.404 -0.598 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419722584 1072195592 /nfs/dbraw/zinc/19/55/92/1072195592.db2.gz MQVGHBZPQMIBLY-HNNXBMFYSA-N 1 0 376.457 -0.333 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419722587 1072195725 /nfs/dbraw/zinc/19/57/25/1072195725.db2.gz MQVGHBZPQMIBLY-OAHLLOKOSA-N 1 0 376.457 -0.333 20 0 GBADRO COc1cc(C)ccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419723222 1072195314 /nfs/dbraw/zinc/19/53/14/1072195314.db2.gz FIXGUWGPOJSBBD-HNNXBMFYSA-N 1 0 376.457 -0.067 20 0 GBADRO COc1cc(C)ccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419723223 1072195898 /nfs/dbraw/zinc/19/58/98/1072195898.db2.gz FIXGUWGPOJSBBD-OAHLLOKOSA-N 1 0 376.457 -0.067 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1=O ZINC000419723768 1072195876 /nfs/dbraw/zinc/19/58/76/1072195876.db2.gz DFTMDDDOXZYIPU-AWEZNQCLSA-N 1 0 376.461 -0.227 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1=O ZINC000419723769 1072195406 /nfs/dbraw/zinc/19/54/06/1072195406.db2.gz DFTMDDDOXZYIPU-CQSZACIVSA-N 1 0 376.461 -0.227 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000419723904 1072195357 /nfs/dbraw/zinc/19/53/57/1072195357.db2.gz OZTZMCBNUMEASS-DLBZAZTESA-N 1 0 378.448 -0.083 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)ccc1OCC[NH+](C)C ZINC000419724210 1072195820 /nfs/dbraw/zinc/19/58/20/1072195820.db2.gz DMHLHRFNWPDAKK-GFCCVEGCSA-N 1 0 378.429 -0.079 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000419724212 1072195872 /nfs/dbraw/zinc/19/58/72/1072195872.db2.gz DMHLHRFNWPDAKK-LBPRGKRZSA-N 1 0 378.429 -0.079 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1=O ZINC000419724258 1072195429 /nfs/dbraw/zinc/19/54/29/1072195429.db2.gz DPULZIBLQKUBPH-KBPBESRZSA-N 1 0 376.461 -0.146 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1=O ZINC000419724259 1072195670 /nfs/dbraw/zinc/19/56/70/1072195670.db2.gz DPULZIBLQKUBPH-KGLIPLIRSA-N 1 0 376.461 -0.146 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1=O ZINC000419724260 1072195841 /nfs/dbraw/zinc/19/58/41/1072195841.db2.gz DPULZIBLQKUBPH-UONOGXRCSA-N 1 0 376.461 -0.146 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1=O ZINC000419724261 1072195328 /nfs/dbraw/zinc/19/53/28/1072195328.db2.gz DPULZIBLQKUBPH-ZIAGYGMSSA-N 1 0 376.461 -0.146 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)C[C@H]1c1ccccc1F ZINC000419724944 1072195793 /nfs/dbraw/zinc/19/57/93/1072195793.db2.gz QVCCTNPCNUASGB-DOTOQJQBSA-N 1 0 378.448 -0.083 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419725298 530349718 /nfs/dbraw/zinc/34/97/18/530349718.db2.gz IFXHTEYXJLOVTQ-UHFFFAOYSA-N 1 0 376.523 -0.378 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1=O ZINC000419725777 1072195674 /nfs/dbraw/zinc/19/56/74/1072195674.db2.gz GLRAYGOAEVYTOG-IHRRRGAJSA-N 1 0 376.461 -0.242 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1=O ZINC000419725778 1072193223 /nfs/dbraw/zinc/19/32/23/1072193223.db2.gz GLRAYGOAEVYTOG-MCIONIFRSA-N 1 0 376.461 -0.242 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1=O ZINC000419725779 1072193004 /nfs/dbraw/zinc/19/30/04/1072193004.db2.gz GLRAYGOAEVYTOG-MJBXVCDLSA-N 1 0 376.461 -0.242 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1=O ZINC000419725780 1072193296 /nfs/dbraw/zinc/19/32/96/1072193296.db2.gz GLRAYGOAEVYTOG-RDBSUJKOSA-N 1 0 376.461 -0.242 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000419726454 1072193278 /nfs/dbraw/zinc/19/32/78/1072193278.db2.gz JTJCCEQWEVBAGZ-APHBMKBZSA-N 1 0 376.457 -0.150 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000419726455 1072192944 /nfs/dbraw/zinc/19/29/44/1072192944.db2.gz JTJCCEQWEVBAGZ-MAZHCROVSA-N 1 0 376.457 -0.150 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000419726456 1072193200 /nfs/dbraw/zinc/19/32/00/1072193200.db2.gz JTJCCEQWEVBAGZ-RCBQFDQVSA-N 1 0 376.457 -0.150 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000419726457 1072192959 /nfs/dbraw/zinc/19/29/59/1072192959.db2.gz JTJCCEQWEVBAGZ-VBNZEHGJSA-N 1 0 376.457 -0.150 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1=O ZINC000419726807 1072193133 /nfs/dbraw/zinc/19/31/33/1072193133.db2.gz IAQIXIFTOABGMO-ILXRZTDVSA-N 1 0 388.472 -0.418 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1=O ZINC000419726810 1072193256 /nfs/dbraw/zinc/19/32/56/1072193256.db2.gz IAQIXIFTOABGMO-KFWWJZLASA-N 1 0 388.472 -0.418 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1=O ZINC000419726812 1072193300 /nfs/dbraw/zinc/19/33/00/1072193300.db2.gz IAQIXIFTOABGMO-KKUMJFAQSA-N 1 0 388.472 -0.418 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000419726813 1072193068 /nfs/dbraw/zinc/19/30/68/1072193068.db2.gz IAQIXIFTOABGMO-ZNMIVQPWSA-N 1 0 388.472 -0.418 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419727038 1072193267 /nfs/dbraw/zinc/19/32/67/1072193267.db2.gz KTIYTDMQBRCXQI-HNNXBMFYSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419727042 1072193055 /nfs/dbraw/zinc/19/30/55/1072193055.db2.gz KTIYTDMQBRCXQI-OAHLLOKOSA-N 1 0 388.534 -0.235 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)(N2CCOCC2)C1 ZINC000419727520 1072193281 /nfs/dbraw/zinc/19/32/81/1072193281.db2.gz IVCMOHVUFOXQCX-UHFFFAOYSA-N 1 0 382.505 -0.417 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000419727547 1072193203 /nfs/dbraw/zinc/19/32/03/1072193203.db2.gz IYJIVTXMORNWMH-ILXRZTDVSA-N 1 0 388.472 -0.133 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000419727550 1072193884 /nfs/dbraw/zinc/19/38/84/1072193884.db2.gz IYJIVTXMORNWMH-QLFBSQMISA-N 1 0 388.472 -0.133 20 0 GBADRO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419727601 1072194150 /nfs/dbraw/zinc/19/41/50/1072194150.db2.gz LTNCNGLMYKGIHI-CYBMUJFWSA-N 1 0 383.470 -0.157 20 0 GBADRO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000419727604 1072193981 /nfs/dbraw/zinc/19/39/81/1072193981.db2.gz LTNCNGLMYKGIHI-ZDUSSCGKSA-N 1 0 383.470 -0.157 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])(N2CCOCC2)C1 ZINC000419728568 1072194089 /nfs/dbraw/zinc/19/40/89/1072194089.db2.gz KNODZRRWVBIWQY-HMFCVHIJSA-N 1 0 396.532 -0.042 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])(N2CCOCC2)C1 ZINC000419728571 1072193842 /nfs/dbraw/zinc/19/38/42/1072193842.db2.gz KNODZRRWVBIWQY-NZEHOUKNSA-N 1 0 396.532 -0.042 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])(N2CCOCC2)C1 ZINC000419728573 1072193858 /nfs/dbraw/zinc/19/38/58/1072193858.db2.gz KNODZRRWVBIWQY-RPTYLJJZSA-N 1 0 396.532 -0.042 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])(N2CCOCC2)C1 ZINC000419728576 1072194188 /nfs/dbraw/zinc/19/41/88/1072194188.db2.gz KNODZRRWVBIWQY-YJBCQJRQSA-N 1 0 396.532 -0.042 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1=O ZINC000419728851 1072193897 /nfs/dbraw/zinc/19/38/97/1072193897.db2.gz KUYVEDPMUPGQRL-IHRRRGAJSA-N 1 0 376.461 -0.229 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1=O ZINC000419728853 1072194072 /nfs/dbraw/zinc/19/40/72/1072194072.db2.gz KUYVEDPMUPGQRL-MCIONIFRSA-N 1 0 376.461 -0.229 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1=O ZINC000419728855 1072193824 /nfs/dbraw/zinc/19/38/24/1072193824.db2.gz KUYVEDPMUPGQRL-MJBXVCDLSA-N 1 0 376.461 -0.229 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1=O ZINC000419728859 1072193959 /nfs/dbraw/zinc/19/39/59/1072193959.db2.gz KUYVEDPMUPGQRL-RDBSUJKOSA-N 1 0 376.461 -0.229 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000419729390 1072194129 /nfs/dbraw/zinc/19/41/29/1072194129.db2.gz LUMZZTGNXFQCFE-QLFBSQMISA-N 1 0 388.472 -0.133 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000419729391 1072194054 /nfs/dbraw/zinc/19/40/54/1072194054.db2.gz LUMZZTGNXFQCFE-ZNMIVQPWSA-N 1 0 388.472 -0.133 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419729486 1072194101 /nfs/dbraw/zinc/19/41/01/1072194101.db2.gz NVSNRWOCQFKKKO-CABCVRRESA-N 1 0 376.457 -0.115 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419729487 1072194077 /nfs/dbraw/zinc/19/40/77/1072194077.db2.gz NVSNRWOCQFKKKO-GJZGRUSLSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419729488 1072193926 /nfs/dbraw/zinc/19/39/26/1072193926.db2.gz NVSNRWOCQFKKKO-HUUCEWRRSA-N 1 0 376.457 -0.115 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419729489 1072194105 /nfs/dbraw/zinc/19/41/05/1072194105.db2.gz NVSNRWOCQFKKKO-LSDHHAIUSA-N 1 0 376.457 -0.115 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000419729586 1072194044 /nfs/dbraw/zinc/19/40/44/1072194044.db2.gz OVWQGTCJMGDSOS-BETUJISGSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[NH2+]1 ZINC000419729587 1072193875 /nfs/dbraw/zinc/19/38/75/1072193875.db2.gz OVWQGTCJMGDSOS-CHWSQXEVSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C[C@H](C)[NH2+]1 ZINC000419729588 1072194093 /nfs/dbraw/zinc/19/40/93/1072194093.db2.gz OVWQGTCJMGDSOS-STQMWFEESA-N 1 0 383.470 -0.206 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000419729742 1072193972 /nfs/dbraw/zinc/19/39/72/1072193972.db2.gz MCXBFDMOPXSITQ-AJNGGQMLSA-N 1 0 388.472 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000419729743 1072194143 /nfs/dbraw/zinc/19/41/43/1072194143.db2.gz MCXBFDMOPXSITQ-XGUBFFRZSA-N 1 0 388.472 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000419729744 1072194030 /nfs/dbraw/zinc/19/40/30/1072194030.db2.gz MCXBFDMOPXSITQ-XQLPTFJDSA-N 1 0 388.472 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000419729745 1072193979 /nfs/dbraw/zinc/19/39/79/1072193979.db2.gz MCXBFDMOPXSITQ-YJNKXOJESA-N 1 0 388.472 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000419730246 1072194109 /nfs/dbraw/zinc/19/41/09/1072194109.db2.gz NAHNWZIFCWZCSY-IHRRRGAJSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000419730248 1072193938 /nfs/dbraw/zinc/19/39/38/1072193938.db2.gz NAHNWZIFCWZCSY-MCIONIFRSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000419730249 1072193865 /nfs/dbraw/zinc/19/38/65/1072193865.db2.gz NAHNWZIFCWZCSY-MJBXVCDLSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000419730251 1072194083 /nfs/dbraw/zinc/19/40/83/1072194083.db2.gz NAHNWZIFCWZCSY-RDBSUJKOSA-N 1 0 376.461 -0.290 20 0 GBADRO O=C(NCCCOC(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419730460 530349497 /nfs/dbraw/zinc/34/94/97/530349497.db2.gz JVFNXNYLQRKDQR-SECBINFHSA-N 1 0 376.326 -0.316 20 0 GBADRO O=C(NCCCOC(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419730461 530349712 /nfs/dbraw/zinc/34/97/12/530349712.db2.gz JVFNXNYLQRKDQR-VIFPVBQESA-N 1 0 376.326 -0.316 20 0 GBADRO COc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)ccc1OCC[NH+](C)C ZINC000419730616 1072194029 /nfs/dbraw/zinc/19/40/29/1072194029.db2.gz NKNUDSHKKFIDRC-CZUORRHYSA-N 1 0 381.429 -0.208 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000419730955 1072194037 /nfs/dbraw/zinc/19/40/37/1072194037.db2.gz KYTWNBLWAXFOOK-CYBMUJFWSA-N 1 0 376.413 -0.655 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000419730960 1072193888 /nfs/dbraw/zinc/19/38/88/1072193888.db2.gz KYTWNBLWAXFOOK-ZDUSSCGKSA-N 1 0 376.413 -0.655 20 0 GBADRO CCOC1CC(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419731047 1072193904 /nfs/dbraw/zinc/19/39/04/1072193904.db2.gz NXOMDBGRRDZIAY-AQFXKWCLSA-N 1 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C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000419731296 1072194199 /nfs/dbraw/zinc/19/41/99/1072194199.db2.gz QZFQKUJDXBKBAR-DOMZBBRYSA-N 1 0 383.470 -0.301 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000419731298 1072193919 /nfs/dbraw/zinc/19/39/19/1072193919.db2.gz QZFQKUJDXBKBAR-IUODEOHRSA-N 1 0 383.470 -0.301 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000419731299 1072193850 /nfs/dbraw/zinc/19/38/50/1072193850.db2.gz QZFQKUJDXBKBAR-SWLSCSKDSA-N 1 0 383.470 -0.301 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000419731301 1072194113 /nfs/dbraw/zinc/19/41/13/1072194113.db2.gz QZFQKUJDXBKBAR-WFASDCNBSA-N 1 0 383.470 -0.301 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)(N2CCOCC2)C1 ZINC000419731700 1072194067 /nfs/dbraw/zinc/19/40/67/1072194067.db2.gz OSMOWCUXVRHVRA-LYGPFTKASA-N 1 0 384.521 -0.138 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)(N2CCOCC2)C1 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RYTJEFVGOQPUCL-GJZGRUSLSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419732477 1072194158 /nfs/dbraw/zinc/19/41/58/1072194158.db2.gz RYTJEFVGOQPUCL-HUUCEWRRSA-N 1 0 376.457 -0.034 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419732480 1072193946 /nfs/dbraw/zinc/19/39/46/1072193946.db2.gz RYTJEFVGOQPUCL-LSDHHAIUSA-N 1 0 376.457 -0.034 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1=O ZINC000419732518 1072194895 /nfs/dbraw/zinc/19/48/95/1072194895.db2.gz PLHFBUYNZUGVFQ-CYBMUJFWSA-N 1 0 376.461 -0.275 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1=O ZINC000419732523 1072194860 /nfs/dbraw/zinc/19/48/60/1072194860.db2.gz PLHFBUYNZUGVFQ-ZDUSSCGKSA-N 1 0 376.461 -0.275 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000419733671 1072194976 /nfs/dbraw/zinc/19/49/76/1072194976.db2.gz OKUPACHJKLCLCM-AWEZNQCLSA-N 1 0 390.440 -0.122 20 0 GBADRO 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/nfs/dbraw/zinc/19/50/14/1072195014.db2.gz WWASEUXPPDMRHV-OLZOCXBDSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000419736198 1072194778 /nfs/dbraw/zinc/19/47/78/1072194778.db2.gz WWASEUXPPDMRHV-QWHCGFSZSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C[NH2+]1 ZINC000419736199 1072194834 /nfs/dbraw/zinc/19/48/34/1072194834.db2.gz WWASEUXPPDMRHV-STQMWFEESA-N 1 0 383.470 -0.206 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000419736268 1072198158 /nfs/dbraw/zinc/19/81/58/1072198158.db2.gz XAVNBJFKUQDXSU-UHFFFAOYSA-N 1 0 383.470 -0.205 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419736373 1072198279 /nfs/dbraw/zinc/19/82/79/1072198279.db2.gz BMADKGITDUXGEU-KRWDZBQOSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419736377 1072198714 /nfs/dbraw/zinc/19/87/14/1072198714.db2.gz BMADKGITDUXGEU-QGZVFWFLSA-N 1 0 393.532 -0.305 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419736523 1072198490 /nfs/dbraw/zinc/19/84/90/1072198490.db2.gz BXFCSNQIKHILNC-KRWDZBQOSA-N 1 0 395.548 -0.073 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419736525 1072198713 /nfs/dbraw/zinc/19/87/13/1072198713.db2.gz BXFCSNQIKHILNC-QGZVFWFLSA-N 1 0 395.548 -0.073 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000419736654 1072198271 /nfs/dbraw/zinc/19/82/71/1072198271.db2.gz TVGZNODIBLYQKL-IHRRRGAJSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000419736655 1072198653 /nfs/dbraw/zinc/19/86/53/1072198653.db2.gz TVGZNODIBLYQKL-MCIONIFRSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000419736656 1072198469 /nfs/dbraw/zinc/19/84/69/1072198469.db2.gz TVGZNODIBLYQKL-MJBXVCDLSA-N 1 0 376.461 -0.290 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000419736657 1072198673 /nfs/dbraw/zinc/19/86/73/1072198673.db2.gz TVGZNODIBLYQKL-RDBSUJKOSA-N 1 0 376.461 -0.290 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000419737410 1072198720 /nfs/dbraw/zinc/19/87/20/1072198720.db2.gz YAOVHTGSXMTBHD-GFCCVEGCSA-N 1 0 398.410 -0.227 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000419737414 1072198224 /nfs/dbraw/zinc/19/82/24/1072198224.db2.gz YAOVHTGSXMTBHD-LBPRGKRZSA-N 1 0 398.410 -0.227 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000419737704 1072198710 /nfs/dbraw/zinc/19/87/10/1072198710.db2.gz CTPNHZDYUNLYDD-NVXWUHKLSA-N 1 0 393.532 -0.367 20 0 GBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419737891 1072198715 /nfs/dbraw/zinc/19/87/15/1072198715.db2.gz UDZRSVGNXZMQDX-DLBZAZTESA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000419737892 1072198422 /nfs/dbraw/zinc/19/84/22/1072198422.db2.gz UDZRSVGNXZMQDX-IAGOWNOFSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419737893 1072198617 /nfs/dbraw/zinc/19/86/17/1072198617.db2.gz UDZRSVGNXZMQDX-IRXDYDNUSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000419737894 1072198356 /nfs/dbraw/zinc/19/83/56/1072198356.db2.gz UDZRSVGNXZMQDX-SJORKVTESA-N 1 0 391.516 -0.458 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419738380 1072199163 /nfs/dbraw/zinc/19/91/63/1072199163.db2.gz DXYRKNWRGAUCPO-UHFFFAOYSA-N 1 0 381.521 -0.319 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000419738537 1072199242 /nfs/dbraw/zinc/19/92/42/1072199242.db2.gz VZOHLHKDRDPXHW-ILXRZTDVSA-N 1 0 390.488 -0.042 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000419738542 1072199436 /nfs/dbraw/zinc/19/94/36/1072199436.db2.gz VZOHLHKDRDPXHW-KFWWJZLASA-N 1 0 390.488 -0.042 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000419738547 1072199271 /nfs/dbraw/zinc/19/92/71/1072199271.db2.gz VZOHLHKDRDPXHW-KKUMJFAQSA-N 1 0 390.488 -0.042 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000419738551 1072199454 /nfs/dbraw/zinc/19/94/54/1072199454.db2.gz VZOHLHKDRDPXHW-ZNMIVQPWSA-N 1 0 390.488 -0.042 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419738970 1072198582 /nfs/dbraw/zinc/19/85/82/1072198582.db2.gz FSJMKHJAFSUKGL-UHFFFAOYSA-N 1 0 381.521 -0.447 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419739447 1072196518 /nfs/dbraw/zinc/19/65/18/1072196518.db2.gz FWHWLFBPFHNJBS-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)(N2CCOCC2)C1 ZINC000419739449 1072196904 /nfs/dbraw/zinc/19/69/04/1072196904.db2.gz WRXNEZZRFDFAQU-JOUKPKRSSA-N 1 0 382.505 -0.419 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419739451 1072196916 /nfs/dbraw/zinc/19/69/16/1072196916.db2.gz FWHWLFBPFHNJBS-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)(N2CCOCC2)C1 ZINC000419739454 1072196602 /nfs/dbraw/zinc/19/66/02/1072196602.db2.gz WRXNEZZRFDFAQU-JYMZVQIXSA-N 1 0 382.505 -0.419 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)(N2CCOCC2)C1 ZINC000419739458 1072196702 /nfs/dbraw/zinc/19/67/02/1072196702.db2.gz WRXNEZZRFDFAQU-RXDZZFBJSA-N 1 0 382.505 -0.419 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739471 1072195857 /nfs/dbraw/zinc/19/58/57/1072195857.db2.gz FYIYWVXVMZYLGC-NEPJUHHUSA-N 1 0 376.413 -0.060 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739472 1072195867 /nfs/dbraw/zinc/19/58/67/1072195867.db2.gz FYIYWVXVMZYLGC-NWDGAFQWSA-N 1 0 376.413 -0.060 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739473 1072196851 /nfs/dbraw/zinc/19/68/51/1072196851.db2.gz FYIYWVXVMZYLGC-RYUDHWBXSA-N 1 0 376.413 -0.060 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2oc1=O ZINC000419739474 1072196637 /nfs/dbraw/zinc/19/66/37/1072196637.db2.gz FYIYWVXVMZYLGC-VXGBXAGGSA-N 1 0 376.413 -0.060 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000419739533 1072196866 /nfs/dbraw/zinc/19/68/66/1072196866.db2.gz GIRUWUJFXWYTMK-UHFFFAOYSA-N 1 0 390.484 -0.637 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1=O ZINC000419739907 1072199127 /nfs/dbraw/zinc/19/91/27/1072199127.db2.gz WWFPGNJMZBSHPX-KBPBESRZSA-N 1 0 376.461 -0.227 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1=O ZINC000419739909 1072199470 /nfs/dbraw/zinc/19/94/70/1072199470.db2.gz WWFPGNJMZBSHPX-KGLIPLIRSA-N 1 0 376.461 -0.227 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1=O ZINC000419739910 1072199015 /nfs/dbraw/zinc/19/90/15/1072199015.db2.gz WWFPGNJMZBSHPX-UONOGXRCSA-N 1 0 376.461 -0.227 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1=O ZINC000419739911 1072199358 /nfs/dbraw/zinc/19/93/58/1072199358.db2.gz WWFPGNJMZBSHPX-ZIAGYGMSSA-N 1 0 376.461 -0.227 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419740083 1072199323 /nfs/dbraw/zinc/19/93/23/1072199323.db2.gz HCVQYXGGDRECKU-HNNXBMFYSA-N 1 0 381.521 -0.367 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419740085 1072198911 /nfs/dbraw/zinc/19/89/11/1072198911.db2.gz HCVQYXGGDRECKU-OAHLLOKOSA-N 1 0 381.521 -0.367 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)(N2CCOCC2)C1 ZINC000419740426 1072196343 /nfs/dbraw/zinc/19/63/43/1072196343.db2.gz XHHPOFGODHTMCT-JYMZVQIXSA-N 1 0 382.505 -0.419 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)(N2CCOCC2)C1 ZINC000419740427 1072196324 /nfs/dbraw/zinc/19/63/24/1072196324.db2.gz XHHPOFGODHTMCT-RXDZZFBJSA-N 1 0 382.505 -0.419 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)(N2CCOCC2)C1 ZINC000419740429 1072196558 /nfs/dbraw/zinc/19/65/58/1072196558.db2.gz XHHPOFGODHTMCT-SCXZOKCQSA-N 1 0 382.505 -0.419 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)(N2CCOCC2)C1 ZINC000419740431 1072196923 /nfs/dbraw/zinc/19/69/23/1072196923.db2.gz XHHPOFGODHTMCT-YZWVMBDNSA-N 1 0 382.505 -0.419 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419740601 1072196540 /nfs/dbraw/zinc/19/65/40/1072196540.db2.gz XRLBGKFECDKMPY-UHFFFAOYSA-N 1 0 388.534 -0.187 20 0 GBADRO CN(C(=O)C(=O)NCCOc1ccccc1C(F)(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC000419740621 1072196884 /nfs/dbraw/zinc/19/68/84/1072196884.db2.gz HMOHCBBGGLRJNU-RYUDHWBXSA-N 1 0 375.347 -0.009 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 ZINC000419740926 1072196757 /nfs/dbraw/zinc/19/67/57/1072196757.db2.gz XWJKMKHHWFZBBP-VXESANQCSA-N 1 0 396.532 -0.027 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 ZINC000419740927 1072196338 /nfs/dbraw/zinc/19/63/38/1072196338.db2.gz XWJKMKHHWFZBBP-ZRZPHAQCSA-N 1 0 396.532 -0.027 20 0 GBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1=O ZINC000419741052 1072196437 /nfs/dbraw/zinc/19/64/37/1072196437.db2.gz YIWFWIWSDAEIRG-KGLIPLIRSA-N 1 0 376.461 -0.227 20 0 GBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1=O ZINC000419741054 1072196877 /nfs/dbraw/zinc/19/68/77/1072196877.db2.gz YIWFWIWSDAEIRG-ZIAGYGMSSA-N 1 0 376.461 -0.227 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419741657 1072196584 /nfs/dbraw/zinc/19/65/84/1072196584.db2.gz IPUHKBLSXFSKIY-UHFFFAOYSA-N 1 0 395.548 -0.057 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419742112 1072195330 /nfs/dbraw/zinc/19/53/30/1072195330.db2.gz JGLCEWKPNCCNEV-UHFFFAOYSA-N 1 0 381.521 -0.495 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000419742257 1072196736 /nfs/dbraw/zinc/19/67/36/1072196736.db2.gz ZYTALYAUHFJIHT-UHFFFAOYSA-N 1 0 396.513 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)[NH2+]1 ZINC000419743064 1072196320 /nfs/dbraw/zinc/19/63/20/1072196320.db2.gz GCETXRMYRMGIQA-KBPBESRZSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)[NH2+]1 ZINC000419743066 1072196446 /nfs/dbraw/zinc/19/64/46/1072196446.db2.gz GCETXRMYRMGIQA-OKILXGFUSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)[NH2+]1 ZINC000419743068 1072196798 /nfs/dbraw/zinc/19/67/98/1072196798.db2.gz GCETXRMYRMGIQA-ZIAGYGMSSA-N 1 0 393.488 -0.044 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419743352 1072196366 /nfs/dbraw/zinc/19/63/66/1072196366.db2.gz LLIIRNMUMHPQEB-UHFFFAOYSA-N 1 0 381.521 -0.447 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]1 ZINC000419743475 1072196384 /nfs/dbraw/zinc/19/63/84/1072196384.db2.gz GXODFUWHLSPBPU-UHFFFAOYSA-N 1 0 393.488 -0.042 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(F)c2)C1 ZINC000419743704 1072196371 /nfs/dbraw/zinc/19/63/71/1072196371.db2.gz QGZZKZYKUYZTPY-CYBMUJFWSA-N 1 0 380.420 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(F)c2)C1 ZINC000419743706 1072196626 /nfs/dbraw/zinc/19/66/26/1072196626.db2.gz QGZZKZYKUYZTPY-ZDUSSCGKSA-N 1 0 380.420 -0.366 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCC1 ZINC000419743806 1072196650 /nfs/dbraw/zinc/19/66/50/1072196650.db2.gz MEXJRDVONIGTDW-UHFFFAOYSA-N 1 0 393.532 -0.175 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1Oc1ccccc1 ZINC000419743888 1072196408 /nfs/dbraw/zinc/19/64/08/1072196408.db2.gz HPPNEOWPGCDQEG-MWDXBVQZSA-N 1 0 377.441 -0.168 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1Oc1ccccc1 ZINC000419743894 1072196349 /nfs/dbraw/zinc/19/63/49/1072196349.db2.gz HPPNEOWPGCDQEG-NXOAAHMSSA-N 1 0 377.441 -0.168 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1Oc1ccccc1 ZINC000419743898 1072196417 /nfs/dbraw/zinc/19/64/17/1072196417.db2.gz HPPNEOWPGCDQEG-TWMKSMIVSA-N 1 0 377.441 -0.168 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1Oc1ccccc1 ZINC000419743900 1072196331 /nfs/dbraw/zinc/19/63/31/1072196331.db2.gz HPPNEOWPGCDQEG-YYIAUSFCSA-N 1 0 377.441 -0.168 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000419743950 1072196573 /nfs/dbraw/zinc/19/65/73/1072196573.db2.gz MNYRWOZPDUWRDZ-GFCCVEGCSA-N 1 0 398.410 -0.227 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000419743951 1072196481 /nfs/dbraw/zinc/19/64/81/1072196481.db2.gz MNYRWOZPDUWRDZ-LBPRGKRZSA-N 1 0 398.410 -0.227 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419744251 1072196837 /nfs/dbraw/zinc/19/68/37/1072196837.db2.gz NCXFFLIUCJOPQJ-INIZCTEOSA-N 1 0 379.505 -0.695 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419744252 1072196777 /nfs/dbraw/zinc/19/67/77/1072196777.db2.gz NCXFFLIUCJOPQJ-MRXNPFEDSA-N 1 0 379.505 -0.695 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000419745242 1072197502 /nfs/dbraw/zinc/19/75/02/1072197502.db2.gz KDHNDRVZEILHDL-CYBMUJFWSA-N 1 0 380.880 -0.549 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000419745247 1072197560 /nfs/dbraw/zinc/19/75/60/1072197560.db2.gz KDHNDRVZEILHDL-ZDUSSCGKSA-N 1 0 380.880 -0.549 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000419745362 1072197566 /nfs/dbraw/zinc/19/75/66/1072197566.db2.gz PEWZFSJNXYEIEU-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000419745363 1072197516 /nfs/dbraw/zinc/19/75/16/1072197516.db2.gz PEWZFSJNXYEIEU-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000419746213 1072196911 /nfs/dbraw/zinc/19/69/11/1072196911.db2.gz QIQODXURKFPZKO-KRWDZBQOSA-N 1 0 393.532 -0.319 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000419746214 1072196498 /nfs/dbraw/zinc/19/64/98/1072196498.db2.gz QIQODXURKFPZKO-QGZVFWFLSA-N 1 0 393.532 -0.319 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419746257 1072197639 /nfs/dbraw/zinc/19/76/39/1072197639.db2.gz QOLMXPJTJAIIKB-KRWDZBQOSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419746259 1072197609 /nfs/dbraw/zinc/19/76/09/1072197609.db2.gz QOLMXPJTJAIIKB-QGZVFWFLSA-N 1 0 393.532 -0.305 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419747178 1072197480 /nfs/dbraw/zinc/19/74/80/1072197480.db2.gz SELTYNBKUQFWBP-HNNXBMFYSA-N 1 0 381.521 -0.319 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419747181 1072197687 /nfs/dbraw/zinc/19/76/87/1072197687.db2.gz SELTYNBKUQFWBP-OAHLLOKOSA-N 1 0 381.521 -0.319 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000419747196 1072197509 /nfs/dbraw/zinc/19/75/09/1072197509.db2.gz MTCKJHACUNLFFQ-KSZLIROESA-N 1 0 390.484 -0.251 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000419747230 1072197673 /nfs/dbraw/zinc/19/76/73/1072197673.db2.gz MTCKJHACUNLFFQ-KURKYZTESA-N 1 0 390.484 -0.251 20 0 GBADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000419747232 1072197695 /nfs/dbraw/zinc/19/76/95/1072197695.db2.gz MTCKJHACUNLFFQ-KZNAEPCWSA-N 1 0 390.484 -0.251 20 0 GBADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000419747234 1072197628 /nfs/dbraw/zinc/19/76/28/1072197628.db2.gz MTCKJHACUNLFFQ-RCCFBDPRSA-N 1 0 390.484 -0.251 20 0 GBADRO CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419747374 1072197468 /nfs/dbraw/zinc/19/74/68/1072197468.db2.gz DKEBNNNSGKWQIK-UHFFFAOYSA-N 1 0 399.513 -0.346 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000419747959 1072197644 /nfs/dbraw/zinc/19/76/44/1072197644.db2.gz NWMJLDSILALTMX-KBPBESRZSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C[NH2+]1 ZINC000419747961 1072197717 /nfs/dbraw/zinc/19/77/17/1072197717.db2.gz NWMJLDSILALTMX-KGLIPLIRSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000419747963 1072197616 /nfs/dbraw/zinc/19/76/16/1072197616.db2.gz NWMJLDSILALTMX-UONOGXRCSA-N 1 0 393.488 -0.044 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C[NH2+]1 ZINC000419747965 1072197623 /nfs/dbraw/zinc/19/76/23/1072197623.db2.gz NWMJLDSILALTMX-ZIAGYGMSSA-N 1 0 393.488 -0.044 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419748044 1072197524 /nfs/dbraw/zinc/19/75/24/1072197524.db2.gz UFEKMEHCLXHQKD-INIZCTEOSA-N 1 0 395.548 -0.201 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419748045 1072197705 /nfs/dbraw/zinc/19/77/05/1072197705.db2.gz UFEKMEHCLXHQKD-MRXNPFEDSA-N 1 0 395.548 -0.201 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419748435 1072197597 /nfs/dbraw/zinc/19/75/97/1072197597.db2.gz URYHTJZVTZIWIK-HNNXBMFYSA-N 1 0 381.521 -0.462 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419748436 1072197452 /nfs/dbraw/zinc/19/74/52/1072197452.db2.gz URYHTJZVTZIWIK-OAHLLOKOSA-N 1 0 381.521 -0.462 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419748869 1072197722 /nfs/dbraw/zinc/19/77/22/1072197722.db2.gz VPTMQLMJSWNNCN-QGZVFWFLSA-N 1 0 393.532 -0.223 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000419749263 1072197544 /nfs/dbraw/zinc/19/75/44/1072197544.db2.gz VTLZCAOFBASANZ-MRXNPFEDSA-N 1 0 395.548 -0.059 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000419749297 1072197534 /nfs/dbraw/zinc/19/75/34/1072197534.db2.gz WAUCACCXGWWLJB-KRWDZBQOSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000419749298 1072197613 /nfs/dbraw/zinc/19/76/13/1072197613.db2.gz WAUCACCXGWWLJB-QGZVFWFLSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000419749656 1072197420 /nfs/dbraw/zinc/19/74/20/1072197420.db2.gz WPFFBGAHBWXDJN-INIZCTEOSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000419749658 1072197726 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BFYWRAQPUCUMHK-MRXNPFEDSA-N 1 0 378.473 -0.138 20 0 GBADRO COc1cc(OC)c(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(OC)c1 ZINC000419755110 1072197699 /nfs/dbraw/zinc/19/76/99/1072197699.db2.gz PXWROLKXWJIOTH-CYBMUJFWSA-N 1 0 381.429 -0.443 20 0 GBADRO COc1cc(OC)c(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(OC)c1 ZINC000419755114 1072197657 /nfs/dbraw/zinc/19/76/57/1072197657.db2.gz PXWROLKXWJIOTH-ZDUSSCGKSA-N 1 0 381.429 -0.443 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419756392 1072197551 /nfs/dbraw/zinc/19/75/51/1072197551.db2.gz AYDSHIZHFVQDML-CABCVRRESA-N 1 0 396.488 -0.639 20 0 GBADRO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419756394 1072197634 /nfs/dbraw/zinc/19/76/34/1072197634.db2.gz AYDSHIZHFVQDML-GJZGRUSLSA-N 1 0 396.488 -0.639 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419756396 1072197342 /nfs/dbraw/zinc/19/73/42/1072197342.db2.gz AYDSHIZHFVQDML-HUUCEWRRSA-N 1 0 396.488 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COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419760140 1072198510 /nfs/dbraw/zinc/19/85/10/1072198510.db2.gz HWDFQLYCHWFXOI-IRXDYDNUSA-N 1 0 379.457 -0.089 20 0 GBADRO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419760141 1072198659 /nfs/dbraw/zinc/19/86/59/1072198659.db2.gz HWDFQLYCHWFXOI-SJORKVTESA-N 1 0 379.457 -0.089 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)N1CCOCC1 ZINC000419760564 1072199297 /nfs/dbraw/zinc/19/92/97/1072199297.db2.gz ISRVLCJLYWKLIA-CVEARBPZSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)N1CCOCC1 ZINC000419760567 1072199217 /nfs/dbraw/zinc/19/92/17/1072199217.db2.gz ISRVLCJLYWKLIA-HOTGVXAUSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C(=O)N1CCOCC1 ZINC000419760569 1072199290 /nfs/dbraw/zinc/19/92/90/1072199290.db2.gz ISRVLCJLYWKLIA-HZPDHXFCSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C(=O)N1CCOCC1 ZINC000419760571 1072199413 /nfs/dbraw/zinc/19/94/13/1072199413.db2.gz ISRVLCJLYWKLIA-JKSUJKDBSA-N 1 0 380.489 -0.269 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2=O)n(C)n1 ZINC000419760747 1072199460 /nfs/dbraw/zinc/19/94/60/1072199460.db2.gz BMKCFNZVGYLXGS-CYBMUJFWSA-N 1 0 376.461 -0.272 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2=O)n(C)n1 ZINC000419760748 1072199109 /nfs/dbraw/zinc/19/91/09/1072199109.db2.gz BMKCFNZVGYLXGS-ZDUSSCGKSA-N 1 0 376.461 -0.272 20 0 GBADRO CCc1nc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000419760751 1072199280 /nfs/dbraw/zinc/19/92/80/1072199280.db2.gz BNBMTVZKQXDXOL-CYBMUJFWSA-N 1 0 393.513 -0.008 20 0 GBADRO CCc1nc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000419760756 1072198959 /nfs/dbraw/zinc/19/89/59/1072198959.db2.gz BNBMTVZKQXDXOL-ZDUSSCGKSA-N 1 0 393.513 -0.008 20 0 GBADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C(=O)N1CCOCC1 ZINC000419760956 1072198722 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HKEUSEQQDUYFPA-HUUCEWRRSA-N 1 0 390.488 -0.026 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2=O)n(C)n1 ZINC000419765452 1072200373 /nfs/dbraw/zinc/20/03/73/1072200373.db2.gz HKEUSEQQDUYFPA-LSDHHAIUSA-N 1 0 390.488 -0.026 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ncn1 ZINC000419765857 1072200495 /nfs/dbraw/zinc/20/04/95/1072200495.db2.gz RGVXPBKPFMZQFY-QLFBSQMISA-N 1 0 387.488 -0.329 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ncn1 ZINC000419765860 1072199992 /nfs/dbraw/zinc/19/99/92/1072199992.db2.gz RGVXPBKPFMZQFY-RBSFLKMASA-N 1 0 387.488 -0.329 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ncn1 ZINC000419765862 1072200322 /nfs/dbraw/zinc/20/03/22/1072200322.db2.gz RGVXPBKPFMZQFY-RRFJBIMHSA-N 1 0 387.488 -0.329 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ncn1 ZINC000419765864 1072200471 /nfs/dbraw/zinc/20/04/71/1072200471.db2.gz RGVXPBKPFMZQFY-SOUVJXGZSA-N 1 0 387.488 -0.329 20 0 GBADRO CCCN(C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)[C@H]1CC[NH2+]C1 ZINC000419765949 1072199202 /nfs/dbraw/zinc/19/92/02/1072199202.db2.gz HZLCXRQBSPNWJJ-KBPBESRZSA-N 1 0 376.461 -0.449 20 0 GBADRO CCCN(C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)[C@@H]1CC[NH2+]C1 ZINC000419765950 1072199388 /nfs/dbraw/zinc/19/93/88/1072199388.db2.gz HZLCXRQBSPNWJJ-KGLIPLIRSA-N 1 0 376.461 -0.449 20 0 GBADRO CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)[C@H]1CC[NH2+]C1 ZINC000419765951 1072199352 /nfs/dbraw/zinc/19/93/52/1072199352.db2.gz HZLCXRQBSPNWJJ-UONOGXRCSA-N 1 0 376.461 -0.449 20 0 GBADRO CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)[C@@H]1CC[NH2+]C1 ZINC000419765952 1072199086 /nfs/dbraw/zinc/19/90/86/1072199086.db2.gz HZLCXRQBSPNWJJ-ZIAGYGMSSA-N 1 0 376.461 -0.449 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C(=O)N1CCOCC1 ZINC000419766233 1072199209 /nfs/dbraw/zinc/19/92/09/1072199209.db2.gz RKMXDOXWLAEZLN-BBWFWOEESA-N 1 0 388.468 -0.307 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C(=O)N1CCOCC1 ZINC000419766234 1072199051 /nfs/dbraw/zinc/19/90/51/1072199051.db2.gz RKMXDOXWLAEZLN-GVDBMIGSSA-N 1 0 388.468 -0.307 20 0 GBADRO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ncn1 ZINC000419766365 1072200463 /nfs/dbraw/zinc/20/04/63/1072200463.db2.gz RNLQJJLIEQWQLP-KGLIPLIRSA-N 1 0 375.477 -0.138 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ncn1 ZINC000419766367 1072200432 /nfs/dbraw/zinc/20/04/32/1072200432.db2.gz RNLQJJLIEQWQLP-ZIAGYGMSSA-N 1 0 375.477 -0.138 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419767649 1072200283 /nfs/dbraw/zinc/20/02/83/1072200283.db2.gz DZBCVTOLHFBZSV-KBPBESRZSA-N 1 0 397.497 -0.068 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000419767652 1072200456 /nfs/dbraw/zinc/20/04/56/1072200456.db2.gz DZBCVTOLHFBZSV-KGLIPLIRSA-N 1 0 397.497 -0.068 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419767653 1072199985 /nfs/dbraw/zinc/19/99/85/1072199985.db2.gz DZBCVTOLHFBZSV-UONOGXRCSA-N 1 0 397.497 -0.068 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000419767655 1072199932 /nfs/dbraw/zinc/19/99/32/1072199932.db2.gz DZBCVTOLHFBZSV-ZIAGYGMSSA-N 1 0 397.497 -0.068 20 0 GBADRO CN(C(=O)C(=O)NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419768510 1072200450 /nfs/dbraw/zinc/20/04/50/1072200450.db2.gz CQPSJMJKRKBEKR-RYUDHWBXSA-N 1 0 390.362 -0.223 20 0 GBADRO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419768566 1072199967 /nfs/dbraw/zinc/19/99/67/1072199967.db2.gz UVFBSJIWPRTFGZ-KBPBESRZSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419768571 1072200509 /nfs/dbraw/zinc/20/05/09/1072200509.db2.gz UVFBSJIWPRTFGZ-KGLIPLIRSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419768573 1072199918 /nfs/dbraw/zinc/19/99/18/1072199918.db2.gz UVFBSJIWPRTFGZ-UONOGXRCSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419768575 1072200009 /nfs/dbraw/zinc/20/00/09/1072200009.db2.gz UVFBSJIWPRTFGZ-ZIAGYGMSSA-N 1 0 384.477 -0.464 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419768871 1072200148 /nfs/dbraw/zinc/20/01/48/1072200148.db2.gz FSLGZDYFMOHZTI-UHFFFAOYSA-N 1 0 391.538 -0.636 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419768989 530349711 /nfs/dbraw/zinc/34/97/11/530349711.db2.gz FZFHUQFRDLBALG-UHFFFAOYSA-N 1 0 377.511 -0.897 20 0 GBADRO CCc1cnc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000419769845 1072200398 /nfs/dbraw/zinc/20/03/98/1072200398.db2.gz WFXCIJHHLCAHSU-CYBMUJFWSA-N 1 0 393.513 -0.008 20 0 GBADRO CCc1cnc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000419769846 1072200354 /nfs/dbraw/zinc/20/03/54/1072200354.db2.gz WFXCIJHHLCAHSU-ZDUSSCGKSA-N 1 0 393.513 -0.008 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419769895 1072200304 /nfs/dbraw/zinc/20/03/04/1072200304.db2.gz WKCYXEHIOQSWCQ-NEPJUHHUSA-N 1 0 396.410 -0.357 20 0 GBADRO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419769898 1072200131 /nfs/dbraw/zinc/20/01/31/1072200131.db2.gz WKCYXEHIOQSWCQ-NWDGAFQWSA-N 1 0 396.410 -0.357 20 0 GBADRO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419769899 1072200387 /nfs/dbraw/zinc/20/03/87/1072200387.db2.gz WKCYXEHIOQSWCQ-RYUDHWBXSA-N 1 0 396.410 -0.357 20 0 GBADRO CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419770157 1072200095 /nfs/dbraw/zinc/20/00/95/1072200095.db2.gz WKCYXEHIOQSWCQ-VXGBXAGGSA-N 1 0 396.410 -0.357 20 0 GBADRO O=C(NCCOCC(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419770549 530349462 /nfs/dbraw/zinc/34/94/62/530349462.db2.gz FRKPSENRBWGCCG-SECBINFHSA-N 1 0 376.326 -0.663 20 0 GBADRO O=C(NCCOCC(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419770558 530349785 /nfs/dbraw/zinc/34/97/85/530349785.db2.gz FRKPSENRBWGCCG-VIFPVBQESA-N 1 0 376.326 -0.663 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419770879 1072200268 /nfs/dbraw/zinc/20/02/68/1072200268.db2.gz DWTCNWRMUSBIGD-HNNXBMFYSA-N 1 0 394.447 -0.624 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419770881 1072199974 /nfs/dbraw/zinc/19/99/74/1072199974.db2.gz DWTCNWRMUSBIGD-OAHLLOKOSA-N 1 0 394.447 -0.624 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])C2=O)n(C)n1 ZINC000419771078 1072199946 /nfs/dbraw/zinc/19/99/46/1072199946.db2.gz MAVJPQUEHPQATG-HZSPNIEDSA-N 1 0 376.461 -0.322 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])C2=O)n(C)n1 ZINC000419771082 1072199871 /nfs/dbraw/zinc/19/98/71/1072199871.db2.gz MAVJPQUEHPQATG-IHRRRGAJSA-N 1 0 376.461 -0.322 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])C2=O)n(C)n1 ZINC000419771084 1072200002 /nfs/dbraw/zinc/20/00/02/1072200002.db2.gz MAVJPQUEHPQATG-MELADBBJSA-N 1 0 376.461 -0.322 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])C2=O)n(C)n1 ZINC000419771086 1072199927 /nfs/dbraw/zinc/19/99/27/1072199927.db2.gz MAVJPQUEHPQATG-RDBSUJKOSA-N 1 0 376.461 -0.322 20 0 GBADRO O=C(NCCOCC(F)F)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419771148 1072200479 /nfs/dbraw/zinc/20/04/79/1072200479.db2.gz GIECHUDKANHSPM-GFCCVEGCSA-N 1 0 376.404 -0.945 20 0 GBADRO O=C(NCCOCC(F)F)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419771155 1072200489 /nfs/dbraw/zinc/20/04/89/1072200489.db2.gz GIECHUDKANHSPM-LBPRGKRZSA-N 1 0 376.404 -0.945 20 0 GBADRO CN(C(=O)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1C[NH2+]C[C@@H]1O ZINC000419772567 1072201048 /nfs/dbraw/zinc/20/10/48/1072201048.db2.gz IMLOKZNXDQSGKW-BOSXTWCSSA-N 1 0 393.459 -0.193 20 0 GBADRO CN(C(=O)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1C[NH2+]C[C@@H]1O ZINC000419772569 1072201273 /nfs/dbraw/zinc/20/12/73/1072201273.db2.gz IMLOKZNXDQSGKW-LJCCNALRSA-N 1 0 393.459 -0.193 20 0 GBADRO CN(C(=O)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1C[NH2+]C[C@@H]1O ZINC000419772571 1072201264 /nfs/dbraw/zinc/20/12/64/1072201264.db2.gz IMLOKZNXDQSGKW-MIALQEHNSA-N 1 0 393.459 -0.193 20 0 GBADRO CN(C(=O)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1C[NH2+]C[C@@H]1O ZINC000419772574 1072201095 /nfs/dbraw/zinc/20/10/95/1072201095.db2.gz IMLOKZNXDQSGKW-OGNFBWPZSA-N 1 0 393.459 -0.193 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2=O)n(C)n1 ZINC000419773871 1072201041 /nfs/dbraw/zinc/20/10/41/1072201041.db2.gz OABGSKIUNDAQHG-INIZCTEOSA-N 1 0 398.467 -0.062 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2=O)n(C)n1 ZINC000419773874 1072201006 /nfs/dbraw/zinc/20/10/06/1072201006.db2.gz OABGSKIUNDAQHG-MRXNPFEDSA-N 1 0 398.467 -0.062 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000419774728 1072201218 /nfs/dbraw/zinc/20/12/18/1072201218.db2.gz OOPUGQZNPYCAML-KBPBESRZSA-N 1 0 376.461 -0.449 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000419774731 1072200807 /nfs/dbraw/zinc/20/08/07/1072200807.db2.gz OOPUGQZNPYCAML-KGLIPLIRSA-N 1 0 376.461 -0.449 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000419774734 1072201073 /nfs/dbraw/zinc/20/10/73/1072201073.db2.gz OOPUGQZNPYCAML-UONOGXRCSA-N 1 0 376.461 -0.449 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000419774739 1072200996 /nfs/dbraw/zinc/20/09/96/1072200996.db2.gz OOPUGQZNPYCAML-ZIAGYGMSSA-N 1 0 376.461 -0.449 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000419775476 1072201199 /nfs/dbraw/zinc/20/11/99/1072201199.db2.gz IUKRMQBSHMDAKZ-INIZCTEOSA-N 1 0 388.468 -0.018 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000419775477 1072201131 /nfs/dbraw/zinc/20/11/31/1072201131.db2.gz IUKRMQBSHMDAKZ-MRXNPFEDSA-N 1 0 388.468 -0.018 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000419776556 1072201085 /nfs/dbraw/zinc/20/10/85/1072201085.db2.gz LBCIGZBZUSLDBE-APWZRJJASA-N 1 0 381.448 -0.205 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000419776559 1072201055 /nfs/dbraw/zinc/20/10/55/1072201055.db2.gz LBCIGZBZUSLDBE-LPHOPBHVSA-N 1 0 381.448 -0.205 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000419776560 1072200986 /nfs/dbraw/zinc/20/09/86/1072200986.db2.gz LBCIGZBZUSLDBE-QFBILLFUSA-N 1 0 381.448 -0.205 20 0 GBADRO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000419776563 1072201294 /nfs/dbraw/zinc/20/12/94/1072201294.db2.gz LBCIGZBZUSLDBE-VQIMIIECSA-N 1 0 381.448 -0.205 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2=O)n(C)n1 ZINC000419776595 1072200878 /nfs/dbraw/zinc/20/08/78/1072200878.db2.gz PKUVJDFJGKHKDH-IHRRRGAJSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2=O)n(C)n1 ZINC000419776598 1072201180 /nfs/dbraw/zinc/20/11/80/1072201180.db2.gz PKUVJDFJGKHKDH-MCIONIFRSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2=O)n(C)n1 ZINC000419776601 1072201175 /nfs/dbraw/zinc/20/11/75/1072201175.db2.gz PKUVJDFJGKHKDH-MJBXVCDLSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2=O)n(C)n1 ZINC000419776605 1072201062 /nfs/dbraw/zinc/20/10/62/1072201062.db2.gz PKUVJDFJGKHKDH-RDBSUJKOSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)n(C)n1 ZINC000419776796 1072200853 /nfs/dbraw/zinc/20/08/53/1072200853.db2.gz PVESQESUXBVHEN-KBPBESRZSA-N 1 0 390.488 -0.156 20 0 GBADRO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ncn1 ZINC000419776868 1072201227 /nfs/dbraw/zinc/20/12/27/1072201227.db2.gz YPFQRHUTHGCJCG-CYBMUJFWSA-N 1 0 375.477 -0.186 20 0 GBADRO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ncn1 ZINC000419776869 1072201159 /nfs/dbraw/zinc/20/11/59/1072201159.db2.gz YPFQRHUTHGCJCG-ZDUSSCGKSA-N 1 0 375.477 -0.186 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2=O)n(C)n1 ZINC000419777457 1072202065 /nfs/dbraw/zinc/20/20/65/1072202065.db2.gz PVESQESUXBVHEN-KGLIPLIRSA-N 1 0 390.488 -0.156 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)n(C)n1 ZINC000419777458 1072201865 /nfs/dbraw/zinc/20/18/65/1072201865.db2.gz PVESQESUXBVHEN-UONOGXRCSA-N 1 0 390.488 -0.156 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2=O)n(C)n1 ZINC000419777459 1072202186 /nfs/dbraw/zinc/20/21/86/1072202186.db2.gz PVESQESUXBVHEN-ZIAGYGMSSA-N 1 0 390.488 -0.156 20 0 GBADRO CCOC(=O)COc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419777685 1072201784 /nfs/dbraw/zinc/20/17/84/1072201784.db2.gz QHFFEDXVUPIAAX-INIZCTEOSA-N 1 0 393.440 -0.527 20 0 GBADRO CCOC(=O)COc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419777705 1072201833 /nfs/dbraw/zinc/20/18/33/1072201833.db2.gz QHFFEDXVUPIAAX-MRXNPFEDSA-N 1 0 393.440 -0.527 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)n(C)n1 ZINC000419778016 1072202172 /nfs/dbraw/zinc/20/21/72/1072202172.db2.gz QLHBPOGEWRJJCY-KBPBESRZSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)n(C)n1 ZINC000419778018 1072202197 /nfs/dbraw/zinc/20/21/97/1072202197.db2.gz QLHBPOGEWRJJCY-KGLIPLIRSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)n(C)n1 ZINC000419778597 1072201954 /nfs/dbraw/zinc/20/19/54/1072201954.db2.gz QLHBPOGEWRJJCY-UONOGXRCSA-N 1 0 376.461 -0.416 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2=O)n(C)n1 ZINC000419778598 1072202167 /nfs/dbraw/zinc/20/21/67/1072202167.db2.gz QLHBPOGEWRJJCY-ZIAGYGMSSA-N 1 0 376.461 -0.416 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419781769 1072199369 /nfs/dbraw/zinc/19/93/69/1072199369.db2.gz PBCAUDUKKCWABT-GFCCVEGCSA-N 1 0 385.490 -0.729 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419781770 1072199426 /nfs/dbraw/zinc/19/94/26/1072199426.db2.gz PBCAUDUKKCWABT-LBPRGKRZSA-N 1 0 385.490 -0.729 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@H](C)C[NH2+]1 ZINC000419782120 1072199312 /nfs/dbraw/zinc/19/93/12/1072199312.db2.gz TXNBFEYQIZJMSY-CHWSQXEVSA-N 1 0 388.534 -0.096 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419782121 1072199253 /nfs/dbraw/zinc/19/92/53/1072199253.db2.gz TXNBFEYQIZJMSY-OLZOCXBDSA-N 1 0 388.534 -0.096 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000419782122 1072199443 /nfs/dbraw/zinc/19/94/43/1072199443.db2.gz TXNBFEYQIZJMSY-QWHCGFSZSA-N 1 0 388.534 -0.096 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419782123 1072199464 /nfs/dbraw/zinc/19/94/64/1072199464.db2.gz TXNBFEYQIZJMSY-STQMWFEESA-N 1 0 388.534 -0.096 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419782412 1072199144 /nfs/dbraw/zinc/19/91/44/1072199144.db2.gz PQAASMNTIFHKHB-UHFFFAOYSA-N 1 0 399.517 -0.687 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419782659 1072199419 /nfs/dbraw/zinc/19/94/19/1072199419.db2.gz OXPHFHVIJPTWFF-DZGCQCFKSA-N 1 0 394.447 -0.577 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419782663 1072199394 /nfs/dbraw/zinc/19/93/94/1072199394.db2.gz OXPHFHVIJPTWFF-HIFRSBDPSA-N 1 0 394.447 -0.577 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419782666 1072199302 /nfs/dbraw/zinc/19/93/02/1072199302.db2.gz OXPHFHVIJPTWFF-UKRRQHHQSA-N 1 0 394.447 -0.577 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419782669 1072199328 /nfs/dbraw/zinc/19/93/28/1072199328.db2.gz OXPHFHVIJPTWFF-ZFWWWQNUSA-N 1 0 394.447 -0.577 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C2=O)n(C)n1 ZINC000419782822 1072199363 /nfs/dbraw/zinc/19/93/63/1072199363.db2.gz UZPGSNQTALDFBE-KBPBESRZSA-N 1 0 378.477 -0.218 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2=O)n(C)n1 ZINC000419782823 1072199440 /nfs/dbraw/zinc/19/94/40/1072199440.db2.gz UZPGSNQTALDFBE-KGLIPLIRSA-N 1 0 378.477 -0.218 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C2=O)n(C)n1 ZINC000419782827 1072198984 /nfs/dbraw/zinc/19/89/84/1072198984.db2.gz UZPGSNQTALDFBE-UONOGXRCSA-N 1 0 378.477 -0.218 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2=O)n(C)n1 ZINC000419782830 1072199038 /nfs/dbraw/zinc/19/90/38/1072199038.db2.gz UZPGSNQTALDFBE-ZIAGYGMSSA-N 1 0 378.477 -0.218 20 0 GBADRO CCOC(=O)COc1ccc(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419783691 1072202911 /nfs/dbraw/zinc/20/29/11/1072202911.db2.gz VRLSCBCRKBJAAA-IYBDPMFKSA-N 1 0 389.452 -0.035 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419783815 1072202979 /nfs/dbraw/zinc/20/29/79/1072202979.db2.gz QAFYTJJHUYHZBK-HNNXBMFYSA-N 1 0 394.447 -0.576 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419783818 1072202746 /nfs/dbraw/zinc/20/27/46/1072202746.db2.gz QAFYTJJHUYHZBK-OAHLLOKOSA-N 1 0 394.447 -0.576 20 0 GBADRO CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419784612 1072203200 /nfs/dbraw/zinc/20/32/00/1072203200.db2.gz XAJBFYCVBRETTI-UHFFFAOYSA-N 1 0 388.534 -0.094 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)C2=O)n(C)n1 ZINC000419784812 1072203096 /nfs/dbraw/zinc/20/30/96/1072203096.db2.gz WPTVAIMZNFETDB-AGIUHOORSA-N 1 0 392.460 -0.821 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)C2=O)n(C)n1 ZINC000419784813 1072203143 /nfs/dbraw/zinc/20/31/43/1072203143.db2.gz WPTVAIMZNFETDB-AVGNSLFASA-N 1 0 392.460 -0.821 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)C2=O)n(C)n1 ZINC000419784814 1072202727 /nfs/dbraw/zinc/20/27/27/1072202727.db2.gz WPTVAIMZNFETDB-FRRDWIJNSA-N 1 0 392.460 -0.821 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)C2=O)n(C)n1 ZINC000419784815 1072202790 /nfs/dbraw/zinc/20/27/90/1072202790.db2.gz WPTVAIMZNFETDB-RWMBFGLXSA-N 1 0 392.460 -0.821 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419784978 1072202891 /nfs/dbraw/zinc/20/28/91/1072202891.db2.gz RVUDXTZYZAYIBQ-HNNXBMFYSA-N 1 0 394.447 -0.705 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000419784979 1072203255 /nfs/dbraw/zinc/20/32/55/1072203255.db2.gz RVUDXTZYZAYIBQ-OAHLLOKOSA-N 1 0 394.447 -0.705 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])C2=O)n(C)n1 ZINC000419785464 1072202783 /nfs/dbraw/zinc/20/27/83/1072202783.db2.gz XQQFVNQHSRQTOZ-FPMFFAJLSA-N 1 0 376.461 -0.464 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])C2=O)n(C)n1 ZINC000419785466 1072202844 /nfs/dbraw/zinc/20/28/44/1072202844.db2.gz XQQFVNQHSRQTOZ-KWCYVHTRSA-N 1 0 376.461 -0.464 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])C2=O)n(C)n1 ZINC000419785467 1072202511 /nfs/dbraw/zinc/20/25/11/1072202511.db2.gz XQQFVNQHSRQTOZ-UBHSHLNASA-N 1 0 376.461 -0.464 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])C2=O)n(C)n1 ZINC000419785469 1072203221 /nfs/dbraw/zinc/20/32/21/1072203221.db2.gz XQQFVNQHSRQTOZ-XBFCOCLRSA-N 1 0 376.461 -0.464 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000419787121 1072202808 /nfs/dbraw/zinc/20/28/08/1072202808.db2.gz ZPWNIZKPEVUMJF-BNOWGMLFSA-N 1 0 376.461 -0.607 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000419787123 1072204131 /nfs/dbraw/zinc/20/41/31/1072204131.db2.gz ZPWNIZKPEVUMJF-UBHSHLNASA-N 1 0 376.461 -0.607 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000419787126 1072203953 /nfs/dbraw/zinc/20/39/53/1072203953.db2.gz ZPWNIZKPEVUMJF-XBFCOCLRSA-N 1 0 376.461 -0.607 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000419787128 1072203830 /nfs/dbraw/zinc/20/38/30/1072203830.db2.gz ZPWNIZKPEVUMJF-YUTCNCBUSA-N 1 0 376.461 -0.607 20 0 GBADRO COc1ccccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419792313 1072202133 /nfs/dbraw/zinc/20/21/33/1072202133.db2.gz HQQFUNVHGASLCY-INIZCTEOSA-N 1 0 388.468 -0.018 20 0 GBADRO COc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419792314 1072202071 /nfs/dbraw/zinc/20/20/71/1072202071.db2.gz HQQFUNVHGASLCY-MRXNPFEDSA-N 1 0 388.468 -0.018 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419792587 1072201769 /nfs/dbraw/zinc/20/17/69/1072201769.db2.gz YGPCKXAKMFSNFL-UHFFFAOYSA-N 1 0 397.497 -0.067 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1([NH+](C)C)CC1)CC2 ZINC000419792770 1072201720 /nfs/dbraw/zinc/20/17/20/1072201720.db2.gz AGJLEOSNSYTAEM-UHFFFAOYSA-N 1 0 380.470 -0.306 20 0 GBADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C(C)C ZINC000419793182 1072202043 /nfs/dbraw/zinc/20/20/43/1072202043.db2.gz BFEYFVQBDDZUQN-INIZCTEOSA-N 1 0 381.521 -0.356 20 0 GBADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C(C)C ZINC000419793183 1072201927 /nfs/dbraw/zinc/20/19/27/1072201927.db2.gz BFEYFVQBDDZUQN-MRXNPFEDSA-N 1 0 381.521 -0.356 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419793878 1072202179 /nfs/dbraw/zinc/20/21/79/1072202179.db2.gz ZPEUPVDRPMPTGF-KBPBESRZSA-N 1 0 397.497 -0.068 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000419793879 1072201737 /nfs/dbraw/zinc/20/17/37/1072201737.db2.gz ZPEUPVDRPMPTGF-OKILXGFUSA-N 1 0 397.497 -0.068 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000419793880 1072201909 /nfs/dbraw/zinc/20/19/09/1072201909.db2.gz ZPEUPVDRPMPTGF-ZIAGYGMSSA-N 1 0 397.497 -0.068 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000419797952 1072201879 /nfs/dbraw/zinc/20/18/79/1072201879.db2.gz WARSLZYXTLUJLN-INIZCTEOSA-N 1 0 388.468 -0.018 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000419797954 1072201683 /nfs/dbraw/zinc/20/16/83/1072201683.db2.gz WARSLZYXTLUJLN-MRXNPFEDSA-N 1 0 388.468 -0.018 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCCCC1 ZINC000419799772 1072202200 /nfs/dbraw/zinc/20/22/00/1072202200.db2.gz FNFTZCWALRYLTP-AWEZNQCLSA-N 1 0 386.518 -0.209 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCCCC1 ZINC000419799773 1072201752 /nfs/dbraw/zinc/20/17/52/1072201752.db2.gz FNFTZCWALRYLTP-CQSZACIVSA-N 1 0 386.518 -0.209 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)CCCCC1 ZINC000419800334 1072202717 /nfs/dbraw/zinc/20/27/17/1072202717.db2.gz HNFHGVMOTWGQMV-UHFFFAOYSA-N 1 0 386.460 -0.449 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419800398 1072202539 /nfs/dbraw/zinc/20/25/39/1072202539.db2.gz IAFKHLWEDPMVGQ-UHFFFAOYSA-N 1 0 388.472 -0.393 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)nn1 ZINC000419800404 1072203069 /nfs/dbraw/zinc/20/30/69/1072203069.db2.gz IBBBXYBTHPFPSF-GFCCVEGCSA-N 1 0 378.433 -0.384 20 0 GBADRO COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)C2)nn1 ZINC000419800405 1072202700 /nfs/dbraw/zinc/20/27/00/1072202700.db2.gz IBBBXYBTHPFPSF-LBPRGKRZSA-N 1 0 378.433 -0.384 20 0 GBADRO COCCN(C(=O)C(=O)NCC1([NH3+])CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000419800612 530349741 /nfs/dbraw/zinc/34/97/41/530349741.db2.gz ICNNXGNGDVGRSL-CYBMUJFWSA-N 1 0 375.491 -0.574 20 0 GBADRO COCCN(C(=O)C(=O)NCC1([NH3+])CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419800613 530349676 /nfs/dbraw/zinc/34/96/76/530349676.db2.gz ICNNXGNGDVGRSL-ZDUSSCGKSA-N 1 0 375.491 -0.574 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419800718 1072202150 /nfs/dbraw/zinc/20/21/50/1072202150.db2.gz ABOKRYKXGBKFNM-DZGCQCFKSA-N 1 0 382.486 -0.664 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419800719 1072201747 /nfs/dbraw/zinc/20/17/47/1072201747.db2.gz ABOKRYKXGBKFNM-HIFRSBDPSA-N 1 0 382.486 -0.664 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419800720 1072201900 /nfs/dbraw/zinc/20/19/00/1072201900.db2.gz ABOKRYKXGBKFNM-UKRRQHHQSA-N 1 0 382.486 -0.664 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419800721 1072201673 /nfs/dbraw/zinc/20/16/73/1072201673.db2.gz ABOKRYKXGBKFNM-ZFWWWQNUSA-N 1 0 382.486 -0.664 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000419800750 1072202203 /nfs/dbraw/zinc/20/22/03/1072202203.db2.gz AEGSHEZUSAHFRS-CHWSQXEVSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419800751 1072202000 /nfs/dbraw/zinc/20/20/00/1072202000.db2.gz AEGSHEZUSAHFRS-OLZOCXBDSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000419800752 1072202190 /nfs/dbraw/zinc/20/21/90/1072202190.db2.gz AEGSHEZUSAHFRS-QWHCGFSZSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419800753 1072202608 /nfs/dbraw/zinc/20/26/08/1072202608.db2.gz AEGSHEZUSAHFRS-STQMWFEESA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419801304 1072203182 /nfs/dbraw/zinc/20/31/82/1072203182.db2.gz ALTXTSCBOMRTHH-GDBMZVCRSA-N 1 0 396.513 -0.050 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419801305 1072203268 /nfs/dbraw/zinc/20/32/68/1072203268.db2.gz ALTXTSCBOMRTHH-GOEBONIOSA-N 1 0 396.513 -0.050 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419801306 1072202635 /nfs/dbraw/zinc/20/26/35/1072202635.db2.gz ALTXTSCBOMRTHH-HOCLYGCPSA-N 1 0 396.513 -0.050 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419801308 1072202710 /nfs/dbraw/zinc/20/27/10/1072202710.db2.gz ALTXTSCBOMRTHH-ZBFHGGJFSA-N 1 0 396.513 -0.050 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)n1 ZINC000419801519 1072203225 /nfs/dbraw/zinc/20/32/25/1072203225.db2.gz JXHGZGMTEOLIFL-UHFFFAOYSA-N 1 0 394.476 -0.362 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)n1 ZINC000419801567 1072202943 /nfs/dbraw/zinc/20/29/43/1072202943.db2.gz KCFLSRNDXZHHII-UHFFFAOYSA-N 1 0 376.461 -0.088 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCCCC1 ZINC000419803115 1072203122 /nfs/dbraw/zinc/20/31/22/1072203122.db2.gz MSJIBNBJYYPNDO-UHFFFAOYSA-N 1 0 386.518 -0.209 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000419803196 1072202683 /nfs/dbraw/zinc/20/26/83/1072202683.db2.gz CBRJMRNMVZMROH-GASCZTMLSA-N 1 0 394.497 -0.094 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419803690 1072202623 /nfs/dbraw/zinc/20/26/23/1072202623.db2.gz NOGIKEBNTWAUBF-INIZCTEOSA-N 1 0 393.532 -0.081 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419803692 1072202867 /nfs/dbraw/zinc/20/28/67/1072202867.db2.gz NOGIKEBNTWAUBF-MRXNPFEDSA-N 1 0 393.532 -0.081 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419804098 1072203163 /nfs/dbraw/zinc/20/31/63/1072203163.db2.gz NVJKBQMURVMMPO-UHFFFAOYSA-N 1 0 381.521 -0.223 20 0 GBADRO CC1(CNC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CC[NH2+]CC1 ZINC000419804370 1072203034 /nfs/dbraw/zinc/20/30/34/1072203034.db2.gz CXRMBPDCWCZCSU-UHFFFAOYSA-N 1 0 396.513 -0.272 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419805000 1072202646 /nfs/dbraw/zinc/20/26/46/1072202646.db2.gz DPKIUSFRTKFFCK-IYBDPMFKSA-N 1 0 394.497 -0.425 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C(=O)c1cnn(C)c1 ZINC000419805069 1072203233 /nfs/dbraw/zinc/20/32/33/1072203233.db2.gz PKHUUJSKFALJCO-AWEZNQCLSA-N 1 0 390.488 -0.129 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419805710 1072202666 /nfs/dbraw/zinc/20/26/66/1072202666.db2.gz DUIOPHIQNXLNBE-BETUJISGSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000419805715 1072202756 /nfs/dbraw/zinc/20/27/56/1072202756.db2.gz DUIOPHIQNXLNBE-CHWSQXEVSA-N 1 0 382.486 -0.238 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419805719 1072202770 /nfs/dbraw/zinc/20/27/70/1072202770.db2.gz DUIOPHIQNXLNBE-STQMWFEESA-N 1 0 382.486 -0.238 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCCC1 ZINC000419806262 1072205802 /nfs/dbraw/zinc/20/58/02/1072205802.db2.gz RGWKRGCUBLTCLR-UHFFFAOYSA-N 1 0 393.488 -0.943 20 0 GBADRO Cn1ccnc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)c1=O ZINC000419806737 1072205563 /nfs/dbraw/zinc/20/55/63/1072205563.db2.gz ADKMYHATMVBVNY-UHFFFAOYSA-N 1 0 376.461 -0.793 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCCCC1 ZINC000419807525 1072205780 /nfs/dbraw/zinc/20/57/80/1072205780.db2.gz STWRTICBWAIKSL-UHFFFAOYSA-N 1 0 386.518 -0.163 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)nc1 ZINC000419808130 1072205771 /nfs/dbraw/zinc/20/57/71/1072205771.db2.gz UKLYDJYCFVZXMG-UHFFFAOYSA-N 1 0 388.472 -0.393 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419808305 1072205410 /nfs/dbraw/zinc/20/54/10/1072205410.db2.gz FWSOIFGKNGVEJP-HNNXBMFYSA-N 1 0 382.486 -0.567 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419808308 1072205651 /nfs/dbraw/zinc/20/56/51/1072205651.db2.gz FWSOIFGKNGVEJP-OAHLLOKOSA-N 1 0 382.486 -0.567 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419809122 1072205752 /nfs/dbraw/zinc/20/57/52/1072205752.db2.gz GHRPTEDQNZKXSI-CABCVRRESA-N 1 0 380.470 -0.958 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCC1 ZINC000419809135 1072205796 /nfs/dbraw/zinc/20/57/96/1072205796.db2.gz GJELQNJAPOHMPM-INIZCTEOSA-N 1 0 396.513 -0.144 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCC1 ZINC000419809136 1072205686 /nfs/dbraw/zinc/20/56/86/1072205686.db2.gz GJELQNJAPOHMPM-MRXNPFEDSA-N 1 0 396.513 -0.144 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419809190 1072205738 /nfs/dbraw/zinc/20/57/38/1072205738.db2.gz GOEPTISDNLZQBA-CABCVRRESA-N 1 0 394.497 -0.094 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)ncn1 ZINC000419809280 1072205707 /nfs/dbraw/zinc/20/57/07/1072205707.db2.gz WCGWPKRROBSTGY-UHFFFAOYSA-N 1 0 376.461 -0.088 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419809862 1072205547 /nfs/dbraw/zinc/20/55/47/1072205547.db2.gz ACILNXIVQQAUTF-AWEZNQCLSA-N 1 0 380.470 -0.555 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419809865 1072205714 /nfs/dbraw/zinc/20/57/14/1072205714.db2.gz ACILNXIVQQAUTF-CQSZACIVSA-N 1 0 380.470 -0.555 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419810771 1072206616 /nfs/dbraw/zinc/20/66/16/1072206616.db2.gz XZUMBQYKYPRWKI-HNNXBMFYSA-N 1 0 381.521 -0.177 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419810775 1072206310 /nfs/dbraw/zinc/20/63/10/1072206310.db2.gz XZUMBQYKYPRWKI-OAHLLOKOSA-N 1 0 381.521 -0.177 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419811128 1072206288 /nfs/dbraw/zinc/20/62/88/1072206288.db2.gz HGJPXHXKXGAYIY-CVEARBPZSA-N 1 0 394.497 -0.425 20 0 GBADRO COCCCN(C(=O)C(=O)NCC1([NH3+])CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419811404 1072206530 /nfs/dbraw/zinc/20/65/30/1072206530.db2.gz YHAOMMAOYHIYCH-AWEZNQCLSA-N 1 0 389.518 -0.184 20 0 GBADRO COCCCN(C(=O)C(=O)NCC1([NH3+])CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000419811409 1072206089 /nfs/dbraw/zinc/20/60/89/1072206089.db2.gz YHAOMMAOYHIYCH-CQSZACIVSA-N 1 0 389.518 -0.184 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419812343 1072206634 /nfs/dbraw/zinc/20/66/34/1072206634.db2.gz ZNWRPMOIQZWWTR-AWEZNQCLSA-N 1 0 379.505 -0.425 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419812346 1072206299 /nfs/dbraw/zinc/20/62/99/1072206299.db2.gz ZNWRPMOIQZWWTR-CQSZACIVSA-N 1 0 379.505 -0.425 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419812718 1072206098 /nfs/dbraw/zinc/20/60/98/1072206098.db2.gz HZBXPHZQIVWYND-AWEZNQCLSA-N 1 0 382.486 -0.107 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419812724 1072206245 /nfs/dbraw/zinc/20/62/45/1072206245.db2.gz HZBXPHZQIVWYND-CQSZACIVSA-N 1 0 382.486 -0.107 20 0 GBADRO CCCCNC(=O)c1ccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419813375 1072206277 /nfs/dbraw/zinc/20/62/77/1072206277.db2.gz GZXOPWLFFGZDQU-UHFFFAOYSA-N 1 0 389.500 -0.146 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419813545 1072206331 /nfs/dbraw/zinc/20/63/31/1072206331.db2.gz IPNFKFNTCYNNMM-UHFFFAOYSA-N 1 0 382.486 -0.237 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000419814335 1072206179 /nfs/dbraw/zinc/20/61/79/1072206179.db2.gz IGBIAQOQPMYEPD-UHFFFAOYSA-N 1 0 379.505 -0.469 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Oc1ccccc1 ZINC000419814348 1072206495 /nfs/dbraw/zinc/20/64/95/1072206495.db2.gz IYLSVRCGNDTLEA-CABCVRRESA-N 1 0 376.457 -0.116 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Oc1ccccc1 ZINC000419814350 1072206408 /nfs/dbraw/zinc/20/64/08/1072206408.db2.gz IYLSVRCGNDTLEA-GJZGRUSLSA-N 1 0 376.457 -0.116 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Oc1ccccc1 ZINC000419814352 1072206363 /nfs/dbraw/zinc/20/63/63/1072206363.db2.gz IYLSVRCGNDTLEA-HUUCEWRRSA-N 1 0 376.457 -0.116 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Oc1ccccc1 ZINC000419814355 1072206173 /nfs/dbraw/zinc/20/61/73/1072206173.db2.gz IYLSVRCGNDTLEA-LSDHHAIUSA-N 1 0 376.457 -0.116 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000419814372 1072206464 /nfs/dbraw/zinc/20/64/64/1072206464.db2.gz IZMDNGVJBLXTQV-AWEZNQCLSA-N 1 0 382.486 -0.237 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000419814375 1072206517 /nfs/dbraw/zinc/20/65/17/1072206517.db2.gz IZMDNGVJBLXTQV-CQSZACIVSA-N 1 0 382.486 -0.237 20 0 GBADRO Cc1cc(C)n(CCCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000419814920 1072206139 /nfs/dbraw/zinc/20/61/39/1072206139.db2.gz KOKGESVHTQNFIJ-INIZCTEOSA-N 1 0 392.504 -0.148 20 0 GBADRO Cc1cc(C)n(CCCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000419814924 1072206106 /nfs/dbraw/zinc/20/61/06/1072206106.db2.gz KOKGESVHTQNFIJ-MRXNPFEDSA-N 1 0 392.504 -0.148 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cn1cccn1 ZINC000419815797 1072206082 /nfs/dbraw/zinc/20/60/82/1072206082.db2.gz IACMJJBASVGRTR-CHWSQXEVSA-N 1 0 390.410 -0.412 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cn1cccn1 ZINC000419815803 1072206373 /nfs/dbraw/zinc/20/63/73/1072206373.db2.gz IACMJJBASVGRTR-OLZOCXBDSA-N 1 0 390.410 -0.412 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Cn1cccn1 ZINC000419815805 1072206545 /nfs/dbraw/zinc/20/65/45/1072206545.db2.gz IACMJJBASVGRTR-QWHCGFSZSA-N 1 0 390.410 -0.412 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Cn1cccn1 ZINC000419815806 1072206203 /nfs/dbraw/zinc/20/62/03/1072206203.db2.gz IACMJJBASVGRTR-STQMWFEESA-N 1 0 390.410 -0.412 20 0 GBADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419816167 1072206554 /nfs/dbraw/zinc/20/65/54/1072206554.db2.gz KUCGWDLTZNHADW-UHFFFAOYSA-N 1 0 396.513 -0.108 20 0 GBADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000419816652 1072203889 /nfs/dbraw/zinc/20/38/89/1072203889.db2.gz KHNQUSGTYCFREX-AWEZNQCLSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000419816657 1072203795 /nfs/dbraw/zinc/20/37/95/1072203795.db2.gz KHNQUSGTYCFREX-CQSZACIVSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000419816879 1072203631 /nfs/dbraw/zinc/20/36/31/1072203631.db2.gz KORNISAKVYZRKJ-DZGCQCFKSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000419816880 1072203811 /nfs/dbraw/zinc/20/38/11/1072203811.db2.gz KORNISAKVYZRKJ-HIFRSBDPSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000419816881 1072204028 /nfs/dbraw/zinc/20/40/28/1072204028.db2.gz KORNISAKVYZRKJ-UKRRQHHQSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000419816882 1072203997 /nfs/dbraw/zinc/20/39/97/1072203997.db2.gz KORNISAKVYZRKJ-ZFWWWQNUSA-N 1 0 396.513 -0.004 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000419817366 1072203903 /nfs/dbraw/zinc/20/39/03/1072203903.db2.gz KWHFINAOAXJRMN-GDBMZVCRSA-N 1 0 396.513 -0.335 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000419817371 1072204044 /nfs/dbraw/zinc/20/40/44/1072204044.db2.gz KWHFINAOAXJRMN-GOEBONIOSA-N 1 0 396.513 -0.335 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000419817375 1072203755 /nfs/dbraw/zinc/20/37/55/1072203755.db2.gz KWHFINAOAXJRMN-HOCLYGCPSA-N 1 0 396.513 -0.335 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000419817379 1072203783 /nfs/dbraw/zinc/20/37/83/1072203783.db2.gz KWHFINAOAXJRMN-ZBFHGGJFSA-N 1 0 396.513 -0.335 20 0 GBADRO CCCCNC(=O)c1ccc(CNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000419818077 1072204056 /nfs/dbraw/zinc/20/40/56/1072204056.db2.gz JACMMIZLBPZJAI-HOTGVXAUSA-N 1 0 376.457 -0.376 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)ccc1OCC(=O)N(C)C ZINC000419818527 1072203720 /nfs/dbraw/zinc/20/37/20/1072203720.db2.gz JEXXSDRTTYVFBF-CYBMUJFWSA-N 1 0 392.456 -0.401 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)ccc1OCC(=O)N(C)C ZINC000419818529 1072204047 /nfs/dbraw/zinc/20/40/47/1072204047.db2.gz JEXXSDRTTYVFBF-ZDUSSCGKSA-N 1 0 392.456 -0.401 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419818978 530349537 /nfs/dbraw/zinc/34/95/37/530349537.db2.gz PELMGRSPMXEBBO-UHFFFAOYSA-N 1 0 394.906 -0.301 20 0 GBADRO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419818996 1072203660 /nfs/dbraw/zinc/20/36/60/1072203660.db2.gz PFQWLYMNWJONCH-AWEZNQCLSA-N 1 0 382.848 -0.227 20 0 GBADRO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419818998 1072203673 /nfs/dbraw/zinc/20/36/73/1072203673.db2.gz PFQWLYMNWJONCH-CQSZACIVSA-N 1 0 382.848 -0.227 20 0 GBADRO Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c1C ZINC000419819231 1072203680 /nfs/dbraw/zinc/20/36/80/1072203680.db2.gz PUBBRYUGVBUBBD-UHFFFAOYSA-N 1 0 396.513 -0.172 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CCO2)n1 ZINC000419819410 1072203696 /nfs/dbraw/zinc/20/36/96/1072203696.db2.gz NNCPBXMXEYHADV-HNNXBMFYSA-N 1 0 378.477 -0.100 20 0 GBADRO Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CCO2)n1 ZINC000419819412 1072204150 /nfs/dbraw/zinc/20/41/50/1072204150.db2.gz NNCPBXMXEYHADV-OAHLLOKOSA-N 1 0 378.477 -0.100 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCCC1 ZINC000419820546 1072204114 /nfs/dbraw/zinc/20/41/14/1072204114.db2.gz NZDDSHITWXLGQH-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCCCC1 ZINC000419820548 1072204068 /nfs/dbraw/zinc/20/40/68/1072204068.db2.gz NZDDSHITWXLGQH-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419820776 530350073 /nfs/dbraw/zinc/35/00/73/530350073.db2.gz SEMKKYSEKJPUAX-UHFFFAOYSA-N 1 0 380.879 -0.691 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CCC[NH2+]C1 ZINC000419821512 1072204135 /nfs/dbraw/zinc/20/41/35/1072204135.db2.gz NEFKKLVBCHFMCD-GOSISDBHSA-N 1 0 396.513 -0.272 20 0 GBADRO C[C@]1(CNC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CCC[NH2+]C1 ZINC000419821514 1072205071 /nfs/dbraw/zinc/20/50/71/1072205071.db2.gz NEFKKLVBCHFMCD-SFHVURJKSA-N 1 0 396.513 -0.272 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419821553 1072204833 /nfs/dbraw/zinc/20/48/33/1072204833.db2.gz NGXZNUALEOFRDR-KBPBESRZSA-N 1 0 382.486 -0.569 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419821558 1072205077 /nfs/dbraw/zinc/20/50/77/1072205077.db2.gz NGXZNUALEOFRDR-OKILXGFUSA-N 1 0 382.486 -0.569 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419821560 1072204711 /nfs/dbraw/zinc/20/47/11/1072204711.db2.gz NGXZNUALEOFRDR-ZIAGYGMSSA-N 1 0 382.486 -0.569 20 0 GBADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419821609 1072204681 /nfs/dbraw/zinc/20/46/81/1072204681.db2.gz NNJARFUNQAPOSY-INIZCTEOSA-N 1 0 396.513 -0.190 20 0 GBADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419821610 1072204701 /nfs/dbraw/zinc/20/47/01/1072204701.db2.gz NNJARFUNQAPOSY-MRXNPFEDSA-N 1 0 396.513 -0.190 20 0 GBADRO CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419821707 1072204034 /nfs/dbraw/zinc/20/40/34/1072204034.db2.gz USLJQOMMBWTIKK-UHFFFAOYSA-N 1 0 382.486 -0.282 20 0 GBADRO Cc1sc2nc(CN3CCN(C(=O)C(=O)NCC[NH3+])CC3)[nH]c(=O)c2c1C ZINC000419821881 1072204019 /nfs/dbraw/zinc/20/40/19/1072204019.db2.gz VHWDLYHMMRMWQP-UHFFFAOYSA-N 1 0 392.485 -0.267 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419822138 1072204092 /nfs/dbraw/zinc/20/40/92/1072204092.db2.gz VQMXPJJPQABAGA-UHFFFAOYSA-N 1 0 377.445 -0.757 20 0 GBADRO CCCCOCCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419822596 1072204778 /nfs/dbraw/zinc/20/47/78/1072204778.db2.gz WUOUYHNHLJVLGC-INIZCTEOSA-N 1 0 382.505 -0.020 20 0 GBADRO CCCCOCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419822597 1072204656 /nfs/dbraw/zinc/20/46/56/1072204656.db2.gz WUOUYHNHLJVLGC-MRXNPFEDSA-N 1 0 382.505 -0.020 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000419822675 530350061 /nfs/dbraw/zinc/35/00/61/530350061.db2.gz WJFIRVDQGAGHLW-UHFFFAOYSA-N 1 0 392.840 -0.613 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419822719 1072204686 /nfs/dbraw/zinc/20/46/86/1072204686.db2.gz WRMIFPBINKZDNX-UHFFFAOYSA-N 1 0 382.486 -0.453 20 0 GBADRO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000419823260 1072204969 /nfs/dbraw/zinc/20/49/69/1072204969.db2.gz MBTSCVLIKVGCFG-HNNXBMFYSA-N 1 0 390.440 -0.033 20 0 GBADRO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000419823262 1072204904 /nfs/dbraw/zinc/20/49/04/1072204904.db2.gz MBTSCVLIKVGCFG-OAHLLOKOSA-N 1 0 390.440 -0.033 20 0 GBADRO C[C@H]1CN(Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419823599 1072204958 /nfs/dbraw/zinc/20/49/58/1072204958.db2.gz OWLVVYJAFSCSND-HOTGVXAUSA-N 1 0 392.500 -0.308 20 0 GBADRO C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@@H](C)O1 ZINC000419823600 1072204603 /nfs/dbraw/zinc/20/46/03/1072204603.db2.gz OWLVVYJAFSCSND-HZPDHXFCSA-N 1 0 392.500 -0.308 20 0 GBADRO C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419823601 1072204939 /nfs/dbraw/zinc/20/49/39/1072204939.db2.gz OWLVVYJAFSCSND-IYBDPMFKSA-N 1 0 392.500 -0.308 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CC[NH2+]1 ZINC000419823606 1072204921 /nfs/dbraw/zinc/20/49/21/1072204921.db2.gz OXBHXSWVMXEAGD-UHFFFAOYSA-N 1 0 382.486 -0.567 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000419823904 1072204646 /nfs/dbraw/zinc/20/46/46/1072204646.db2.gz YVMGZZIJWHXIPL-UHFFFAOYSA-N 1 0 380.470 -0.917 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419824390 1072204800 /nfs/dbraw/zinc/20/48/00/1072204800.db2.gz PQHVPFHLNIXJRO-GOSISDBHSA-N 1 0 394.497 -0.566 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419824393 1072204569 /nfs/dbraw/zinc/20/45/69/1072204569.db2.gz PQHVPFHLNIXJRO-SFHVURJKSA-N 1 0 394.497 -0.566 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000419824998 1072204995 /nfs/dbraw/zinc/20/49/95/1072204995.db2.gz NANTXNHOLDGGHW-AWEZNQCLSA-N 1 0 392.456 -0.224 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000419825007 1072205054 /nfs/dbraw/zinc/20/50/54/1072205054.db2.gz NANTXNHOLDGGHW-CQSZACIVSA-N 1 0 392.456 -0.224 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000419825022 1072204887 /nfs/dbraw/zinc/20/48/87/1072204887.db2.gz PSBCJVGJRBMPER-AWEZNQCLSA-N 1 0 382.486 -0.189 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419825023 1072204596 /nfs/dbraw/zinc/20/45/96/1072204596.db2.gz PSBCJVGJRBMPER-CQSZACIVSA-N 1 0 382.486 -0.189 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419825063 1072204980 /nfs/dbraw/zinc/20/49/80/1072204980.db2.gz PVPHCRBJPSVXOO-HNNXBMFYSA-N 1 0 382.486 -0.520 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419825064 1072204768 /nfs/dbraw/zinc/20/47/68/1072204768.db2.gz PVPHCRBJPSVXOO-OAHLLOKOSA-N 1 0 382.486 -0.520 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419825295 1072204560 /nfs/dbraw/zinc/20/45/60/1072204560.db2.gz AOEKXYMDVAGEAU-CVEARBPZSA-N 1 0 381.521 -0.319 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419825298 1072204535 /nfs/dbraw/zinc/20/45/35/1072204535.db2.gz AOEKXYMDVAGEAU-HOTGVXAUSA-N 1 0 381.521 -0.319 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419825300 1072205066 /nfs/dbraw/zinc/20/50/66/1072205066.db2.gz AOEKXYMDVAGEAU-HZPDHXFCSA-N 1 0 381.521 -0.319 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419825303 1072205048 /nfs/dbraw/zinc/20/50/48/1072205048.db2.gz AOEKXYMDVAGEAU-JKSUJKDBSA-N 1 0 381.521 -0.319 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c1C ZINC000419825357 1072205502 /nfs/dbraw/zinc/20/55/02/1072205502.db2.gz AVRMYGAUCHOVEN-UHFFFAOYSA-N 1 0 375.473 -0.149 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419825494 1072205032 /nfs/dbraw/zinc/20/50/32/1072205032.db2.gz NJNVVYGHHVXPQD-CVEARBPZSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419825496 1072205655 /nfs/dbraw/zinc/20/56/55/1072205655.db2.gz NJNVVYGHHVXPQD-HOTGVXAUSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419825497 1072205626 /nfs/dbraw/zinc/20/56/26/1072205626.db2.gz NJNVVYGHHVXPQD-HZPDHXFCSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)C[NH+]1CCCC1 ZINC000419825499 1072205533 /nfs/dbraw/zinc/20/55/33/1072205533.db2.gz NJNVVYGHHVXPQD-JKSUJKDBSA-N 1 0 379.505 -0.743 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419825576 1072205618 /nfs/dbraw/zinc/20/56/18/1072205618.db2.gz QETIIXWELSGOFH-OAHLLOKOSA-N 1 0 382.486 -0.520 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)C[C@@H]12 ZINC000419825652 1072204521 /nfs/dbraw/zinc/20/45/21/1072204521.db2.gz QKGQQVSMXUQVQY-ARFHVFGLSA-N 1 0 394.497 -0.582 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)C[C@@H]12 ZINC000419825654 1072204629 /nfs/dbraw/zinc/20/46/29/1072204629.db2.gz QKGQQVSMXUQVQY-BZUAXINKSA-N 1 0 394.497 -0.582 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)C[C@H]12 ZINC000419825656 1072204637 /nfs/dbraw/zinc/20/46/37/1072204637.db2.gz QKGQQVSMXUQVQY-HRCADAONSA-N 1 0 394.497 -0.582 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCS(=O)(=O)NCc3ccccc3)C[C@H]12 ZINC000419825659 1072204859 /nfs/dbraw/zinc/20/48/59/1072204859.db2.gz QKGQQVSMXUQVQY-OWCLPIDISA-N 1 0 394.497 -0.582 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1C ZINC000419825802 1072204847 /nfs/dbraw/zinc/20/48/47/1072204847.db2.gz BJJKEDOAIFCTMS-UHFFFAOYSA-N 1 0 396.513 -0.009 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)c1 ZINC000419826095 1072204583 /nfs/dbraw/zinc/20/45/83/1072204583.db2.gz BSVPIJYTTJRJCB-UHFFFAOYSA-N 1 0 396.513 -0.009 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419826876 1072205599 /nfs/dbraw/zinc/20/55/99/1072205599.db2.gz RCXOGKIPBQYOFQ-GDBMZVCRSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419826877 1072205699 /nfs/dbraw/zinc/20/56/99/1072205699.db2.gz RCXOGKIPBQYOFQ-GOEBONIOSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419826878 1072205555 /nfs/dbraw/zinc/20/55/55/1072205555.db2.gz RCXOGKIPBQYOFQ-HOCLYGCPSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 ZINC000419826879 1072205510 /nfs/dbraw/zinc/20/55/10/1072205510.db2.gz RCXOGKIPBQYOFQ-ZBFHGGJFSA-N 1 0 396.513 -0.192 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c(OC)c1 ZINC000419827061 1072205525 /nfs/dbraw/zinc/20/55/25/1072205525.db2.gz ASTXBMOIRWRPSJ-UHFFFAOYSA-N 1 0 378.429 -0.547 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419827090 1072205589 /nfs/dbraw/zinc/20/55/89/1072205589.db2.gz AXCINPWLUNIRFC-UHFFFAOYSA-N 1 0 396.469 -0.813 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000419827107 1072205607 /nfs/dbraw/zinc/20/56/07/1072205607.db2.gz AYGFJLIWCCXDLK-UHFFFAOYSA-N 1 0 378.458 -0.093 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000419827246 1072205764 /nfs/dbraw/zinc/20/57/64/1072205764.db2.gz BHIBUJXQCKFSOE-UHFFFAOYSA-N 1 0 390.465 -0.252 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cn1cccn1 ZINC000419827558 1072207701 /nfs/dbraw/zinc/20/77/01/1072207701.db2.gz OKVLHBIXNNYEAC-CVEARBPZSA-N 1 0 390.488 -0.694 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cn1cccn1 ZINC000419827560 1072208052 /nfs/dbraw/zinc/20/80/52/1072208052.db2.gz OKVLHBIXNNYEAC-HOTGVXAUSA-N 1 0 390.488 -0.694 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cn1cccn1 ZINC000419827561 1072208031 /nfs/dbraw/zinc/20/80/31/1072208031.db2.gz OKVLHBIXNNYEAC-HZPDHXFCSA-N 1 0 390.488 -0.694 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cn1cccn1 ZINC000419827562 1072207860 /nfs/dbraw/zinc/20/78/60/1072207860.db2.gz OKVLHBIXNNYEAC-JKSUJKDBSA-N 1 0 390.488 -0.694 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419827678 1072207802 /nfs/dbraw/zinc/20/78/02/1072207802.db2.gz BLGJXPQFXXQHEQ-UHFFFAOYSA-N 1 0 375.473 -0.149 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000419827768 530350208 /nfs/dbraw/zinc/35/02/08/530350208.db2.gz BXHBBDJVJJWPMV-UHFFFAOYSA-N 1 0 388.877 -0.362 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419827917 1072208043 /nfs/dbraw/zinc/20/80/43/1072208043.db2.gz FYKLNEHVTKUOEL-UHFFFAOYSA-N 1 0 382.486 -0.317 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419828458 1072208736 /nfs/dbraw/zinc/20/87/36/1072208736.db2.gz HCCKHWSGSYOKFL-UHFFFAOYSA-N 1 0 376.457 -0.100 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCCCC1 ZINC000419828548 1072208880 /nfs/dbraw/zinc/20/88/80/1072208880.db2.gz YRCGFDVMLSQEDZ-UHFFFAOYSA-N 1 0 393.532 -0.079 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419828613 1072208857 /nfs/dbraw/zinc/20/88/57/1072208857.db2.gz SFHFJJYVNOBABA-CVEARBPZSA-N 1 0 396.513 -0.144 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419828615 1072208942 /nfs/dbraw/zinc/20/89/42/1072208942.db2.gz SFHFJJYVNOBABA-HOTGVXAUSA-N 1 0 396.513 -0.144 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419828617 1072208851 /nfs/dbraw/zinc/20/88/51/1072208851.db2.gz SFHFJJYVNOBABA-HZPDHXFCSA-N 1 0 396.513 -0.144 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419828619 1072208486 /nfs/dbraw/zinc/20/84/86/1072208486.db2.gz SFHFJJYVNOBABA-JKSUJKDBSA-N 1 0 396.513 -0.144 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@@H]1C[NH3+] ZINC000419828621 1072208917 /nfs/dbraw/zinc/20/89/17/1072208917.db2.gz SFIXZKBQTLMSMN-GDBMZVCRSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@@H]1C[NH3+] ZINC000419828623 1072208683 /nfs/dbraw/zinc/20/86/83/1072208683.db2.gz SFIXZKBQTLMSMN-GOEBONIOSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@H]1C[NH3+] ZINC000419828625 1072208689 /nfs/dbraw/zinc/20/86/89/1072208689.db2.gz SFIXZKBQTLMSMN-HOCLYGCPSA-N 1 0 396.513 -0.192 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)[C@H]1C[NH3+] ZINC000419828626 1072208727 /nfs/dbraw/zinc/20/87/27/1072208727.db2.gz SFIXZKBQTLMSMN-ZBFHGGJFSA-N 1 0 396.513 -0.192 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419828741 1072208948 /nfs/dbraw/zinc/20/89/48/1072208948.db2.gz HPHZXOHRIOBVDX-UHFFFAOYSA-N 1 0 391.538 -0.648 20 0 GBADRO O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419828943 1072207814 /nfs/dbraw/zinc/20/78/14/1072207814.db2.gz URKIZYHKYRARSQ-QLFBSQMISA-N 1 0 378.498 -0.085 20 0 GBADRO O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419828946 1072207751 /nfs/dbraw/zinc/20/77/51/1072207751.db2.gz URKIZYHKYRARSQ-ZNMIVQPWSA-N 1 0 378.498 -0.085 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000419828981 1072208667 /nfs/dbraw/zinc/20/86/67/1072208667.db2.gz UUVZRALCHKGDHQ-INIZCTEOSA-N 1 0 377.489 -0.056 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000419828983 1072208929 /nfs/dbraw/zinc/20/89/29/1072208929.db2.gz UUVZRALCHKGDHQ-MRXNPFEDSA-N 1 0 377.489 -0.056 20 0 GBADRO CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000419829241 1072207973 /nfs/dbraw/zinc/20/79/73/1072207973.db2.gz SPPLKHJHYFDZAS-INIZCTEOSA-N 1 0 396.513 -0.177 20 0 GBADRO CCCN(C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000419829243 1072207850 /nfs/dbraw/zinc/20/78/50/1072207850.db2.gz SPPLKHJHYFDZAS-MRXNPFEDSA-N 1 0 396.513 -0.177 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])Cn1cccn1 ZINC000419829991 1072208963 /nfs/dbraw/zinc/20/89/63/1072208963.db2.gz QCUDUEJAEJUWCN-CABCVRRESA-N 1 0 378.477 -0.519 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])Cn1cccn1 ZINC000419829992 1072208957 /nfs/dbraw/zinc/20/89/57/1072208957.db2.gz QCUDUEJAEJUWCN-GJZGRUSLSA-N 1 0 378.477 -0.519 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])Cn1cccn1 ZINC000419829994 1072208574 /nfs/dbraw/zinc/20/85/74/1072208574.db2.gz QCUDUEJAEJUWCN-HUUCEWRRSA-N 1 0 378.477 -0.519 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])Cn1cccn1 ZINC000419829995 1072208612 /nfs/dbraw/zinc/20/86/12/1072208612.db2.gz QCUDUEJAEJUWCN-LSDHHAIUSA-N 1 0 378.477 -0.519 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419830030 1072208456 /nfs/dbraw/zinc/20/84/56/1072208456.db2.gz SWMXTBUEGWTJPM-INIZCTEOSA-N 1 0 396.513 -0.177 20 0 GBADRO 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388.877 -0.362 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000419832901 1072209632 /nfs/dbraw/zinc/20/96/32/1072209632.db2.gz KQJUDULGADCPNU-UHFFFAOYSA-N 1 0 394.497 -0.527 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NCCCC[NH3+])CC1)C1CCCCC1 ZINC000419833159 1072209374 /nfs/dbraw/zinc/20/93/74/1072209374.db2.gz OUJNXFRNAHBACO-UHFFFAOYSA-N 1 0 381.521 -0.223 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)CC1 ZINC000419833221 1072209544 /nfs/dbraw/zinc/20/95/44/1072209544.db2.gz PHTWHXRDJRCWBK-UHFFFAOYSA-N 1 0 381.521 -0.319 20 0 GBADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419833227 1072209463 /nfs/dbraw/zinc/20/94/63/1072209463.db2.gz VZORWFKJMWUTSN-INIZCTEOSA-N 1 0 396.513 -0.272 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419833228 1072209571 /nfs/dbraw/zinc/20/95/71/1072209571.db2.gz VZORWFKJMWUTSN-MRXNPFEDSA-N 1 0 396.513 -0.272 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 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LROVISDCFUHPLN-HNNXBMFYSA-N 1 0 376.457 -0.102 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c1 ZINC000419833434 1072209418 /nfs/dbraw/zinc/20/94/18/1072209418.db2.gz LROVISDCFUHPLN-OAHLLOKOSA-N 1 0 376.457 -0.102 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419833820 1072209522 /nfs/dbraw/zinc/20/95/22/1072209522.db2.gz WKJNALATAVWWDD-UHFFFAOYSA-N 1 0 384.502 -0.335 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c1 ZINC000419834018 1072209513 /nfs/dbraw/zinc/20/95/13/1072209513.db2.gz QWAZRTLVMHJZOR-UHFFFAOYSA-N 1 0 378.429 -0.547 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419834088 1072209385 /nfs/dbraw/zinc/20/93/85/1072209385.db2.gz RDBLGZKESXNWAT-HNNXBMFYSA-N 1 0 394.497 -0.165 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419834092 1072209519 /nfs/dbraw/zinc/20/95/19/1072209519.db2.gz RDBLGZKESXNWAT-OAHLLOKOSA-N 1 0 394.497 -0.165 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419834120 1072209405 /nfs/dbraw/zinc/20/94/05/1072209405.db2.gz RGWRLDUUMOQITN-UHFFFAOYSA-N 1 0 379.436 -0.835 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419834262 1072209597 /nfs/dbraw/zinc/20/95/97/1072209597.db2.gz RJIKEWMJQQXKAF-UHFFFAOYSA-N 1 0 379.436 -0.237 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419834277 1072209560 /nfs/dbraw/zinc/20/95/60/1072209560.db2.gz RMASFIXZVASPHA-UHFFFAOYSA-N 1 0 382.486 -0.484 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419834330 1072210191 /nfs/dbraw/zinc/21/01/91/1072210191.db2.gz RUPYBOUFBFGYKT-HOTGVXAUSA-N 1 0 381.521 -0.510 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419834331 1072210397 /nfs/dbraw/zinc/21/03/97/1072210397.db2.gz RUPYBOUFBFGYKT-HZPDHXFCSA-N 1 0 381.521 -0.510 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C1 ZINC000419834332 1072210359 /nfs/dbraw/zinc/21/03/59/1072210359.db2.gz RUPYBOUFBFGYKT-IYBDPMFKSA-N 1 0 381.521 -0.510 20 0 GBADRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419834494 1072210063 /nfs/dbraw/zinc/21/00/63/1072210063.db2.gz SHWIDGJMFUBEOP-UHFFFAOYSA-N 1 0 389.522 -0.895 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419834832 1072209708 /nfs/dbraw/zinc/20/97/08/1072209708.db2.gz UDICAFIMNGQZCT-UHFFFAOYSA-N 1 0 380.420 -0.270 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419834841 1072210172 /nfs/dbraw/zinc/21/01/72/1072210172.db2.gz UEWYWYRYCNAEEX-UHFFFAOYSA-N 1 0 387.484 -0.425 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419834877 1072210461 /nfs/dbraw/zinc/21/04/61/1072210461.db2.gz XQVCPBPEDFLJMX-CVEARBPZSA-N 1 0 394.497 -0.710 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419834878 1072210349 /nfs/dbraw/zinc/21/03/49/1072210349.db2.gz XQVCPBPEDFLJMX-HOTGVXAUSA-N 1 0 394.497 -0.710 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419834879 1072210249 /nfs/dbraw/zinc/21/02/49/1072210249.db2.gz XQVCPBPEDFLJMX-HZPDHXFCSA-N 1 0 394.497 -0.710 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419834880 1072210163 /nfs/dbraw/zinc/21/01/63/1072210163.db2.gz XQVCPBPEDFLJMX-JKSUJKDBSA-N 1 0 394.497 -0.710 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419835068 1072209582 /nfs/dbraw/zinc/20/95/82/1072209582.db2.gz UKTOJLRCQVJGML-UHFFFAOYSA-N 1 0 396.513 -0.063 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419835122 1072209357 /nfs/dbraw/zinc/20/93/57/1072209357.db2.gz UUWPVWVLOQNSQK-KRWDZBQOSA-N 1 0 387.484 -0.209 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419835123 1072209615 /nfs/dbraw/zinc/20/96/15/1072209615.db2.gz UUWPVWVLOQNSQK-QGZVFWFLSA-N 1 0 387.484 -0.209 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419835430 1072210539 /nfs/dbraw/zinc/21/05/39/1072210539.db2.gz VVFFQTBPXJSUJR-UHFFFAOYSA-N 1 0 386.449 -0.486 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419835642 1072210431 /nfs/dbraw/zinc/21/04/31/1072210431.db2.gz YNTCNBKZQKOIOW-DZGCQCFKSA-N 1 0 382.486 -0.521 20 0 GBADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419835645 1072210489 /nfs/dbraw/zinc/21/04/89/1072210489.db2.gz YNTCNBKZQKOIOW-HIFRSBDPSA-N 1 0 382.486 -0.521 20 0 GBADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419835647 1072210560 /nfs/dbraw/zinc/21/05/60/1072210560.db2.gz YNTCNBKZQKOIOW-UKRRQHHQSA-N 1 0 382.486 -0.521 20 0 GBADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419835650 1072210315 /nfs/dbraw/zinc/21/03/15/1072210315.db2.gz YNTCNBKZQKOIOW-ZFWWWQNUSA-N 1 0 382.486 -0.521 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000419836016 1072210470 /nfs/dbraw/zinc/21/04/70/1072210470.db2.gz BEGBDNGGMSSNHK-KRWDZBQOSA-N 1 0 399.495 -0.412 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000419836018 1072210305 /nfs/dbraw/zinc/21/03/05/1072210305.db2.gz BEGBDNGGMSSNHK-QGZVFWFLSA-N 1 0 399.495 -0.412 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419836032 1072210197 /nfs/dbraw/zinc/21/01/97/1072210197.db2.gz BFCWHZBQGHORRK-INIZCTEOSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419836035 1072210153 /nfs/dbraw/zinc/21/01/53/1072210153.db2.gz BFCWHZBQGHORRK-MRXNPFEDSA-N 1 0 379.505 -0.552 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419836226 1072210141 /nfs/dbraw/zinc/21/01/41/1072210141.db2.gz ZDBVSOKWUOAFEJ-HNNXBMFYSA-N 1 0 384.502 -0.288 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419836227 1072210209 /nfs/dbraw/zinc/21/02/09/1072210209.db2.gz ZDBVSOKWUOAFEJ-OAHLLOKOSA-N 1 0 384.502 -0.288 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419836381 1072210271 /nfs/dbraw/zinc/21/02/71/1072210271.db2.gz BNRLLWVDCVUXCQ-INIZCTEOSA-N 1 0 394.497 -0.471 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419836382 1072210243 /nfs/dbraw/zinc/21/02/43/1072210243.db2.gz BNRLLWVDCVUXCQ-MRXNPFEDSA-N 1 0 394.497 -0.471 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)nc1 ZINC000419836916 1072210452 /nfs/dbraw/zinc/21/04/52/1072210452.db2.gz YQNWBINCVWLERI-UHFFFAOYSA-N 1 0 377.445 -0.238 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419837076 1072210286 /nfs/dbraw/zinc/21/02/86/1072210286.db2.gz ZSPMOSMVUVKYEE-HNNXBMFYSA-N 1 0 382.486 -0.438 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000419837077 1072210181 /nfs/dbraw/zinc/21/01/81/1072210181.db2.gz ZSPMOSMVUVKYEE-OAHLLOKOSA-N 1 0 382.486 -0.438 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419837180 1072210074 /nfs/dbraw/zinc/21/00/74/1072210074.db2.gz CQKBRLIXNIAGEE-AWEZNQCLSA-N 1 0 398.460 -0.473 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419837182 1072210519 /nfs/dbraw/zinc/21/05/19/1072210519.db2.gz CQKBRLIXNIAGEE-CQSZACIVSA-N 1 0 398.460 -0.473 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c1 ZINC000419837375 1072211121 /nfs/dbraw/zinc/21/11/21/1072211121.db2.gz LUJIVLGMCKYCJX-UHFFFAOYSA-N 1 0 382.486 -0.399 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000419837465 1072210534 /nfs/dbraw/zinc/21/05/34/1072210534.db2.gz CYACINKTENJDOE-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000419837466 1072210526 /nfs/dbraw/zinc/21/05/26/1072210526.db2.gz CYACINKTENJDOE-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000419837478 1072210495 /nfs/dbraw/zinc/21/04/95/1072210495.db2.gz CYUHWBNJQWPVEI-UHFFFAOYSA-N 1 0 391.447 -0.223 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837994 1072210372 /nfs/dbraw/zinc/21/03/72/1072210372.db2.gz DRNKBERVHBBGQE-BBWFWOEESA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419837995 1072210292 /nfs/dbraw/zinc/21/02/92/1072210292.db2.gz DRNKBERVHBBGQE-BRWVUGGUSA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837996 1072210402 /nfs/dbraw/zinc/21/04/02/1072210402.db2.gz DRNKBERVHBBGQE-IXDOHACOSA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419837997 1072210336 /nfs/dbraw/zinc/21/03/36/1072210336.db2.gz DRNKBERVHBBGQE-ZACQAIPSSA-N 1 0 396.532 -0.029 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419838171 1072210258 /nfs/dbraw/zinc/21/02/58/1072210258.db2.gz NZTXMZNQEJLRAT-UHFFFAOYSA-N 1 0 377.445 -0.757 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000419838341 1072211226 /nfs/dbraw/zinc/21/12/26/1072211226.db2.gz XRYQFDCEGMMSFQ-BFHYXJOUSA-N 1 0 376.461 -0.209 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000419838342 1072211322 /nfs/dbraw/zinc/21/13/22/1072211322.db2.gz XRYQFDCEGMMSFQ-IHRRRGAJSA-N 1 0 376.461 -0.209 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000419838343 1072211380 /nfs/dbraw/zinc/21/13/80/1072211380.db2.gz XRYQFDCEGMMSFQ-MELADBBJSA-N 1 0 376.461 -0.209 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000419838344 1072211187 /nfs/dbraw/zinc/21/11/87/1072211187.db2.gz XRYQFDCEGMMSFQ-MJBXVCDLSA-N 1 0 376.461 -0.209 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419838384 1072211160 /nfs/dbraw/zinc/21/11/60/1072211160.db2.gz OCFXJHYFXVJLBR-UHFFFAOYSA-N 1 0 391.472 -0.367 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419838449 1072210971 /nfs/dbraw/zinc/21/09/71/1072210971.db2.gz OPSSLRIWCXDMJI-HNNXBMFYSA-N 1 0 376.457 -0.102 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419838450 1072211094 /nfs/dbraw/zinc/21/10/94/1072211094.db2.gz OPSSLRIWCXDMJI-OAHLLOKOSA-N 1 0 376.457 -0.102 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419838456 1072210892 /nfs/dbraw/zinc/21/08/92/1072210892.db2.gz OQHRGZYWMJMLPK-UHFFFAOYSA-N 1 0 398.485 -0.617 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)NCCC[NH3+])CC2)nc1 ZINC000419838463 1072211170 /nfs/dbraw/zinc/21/11/70/1072211170.db2.gz ORSFPRUFUKVORW-UHFFFAOYSA-N 1 0 377.445 -0.238 20 0 GBADRO COc1ccc(-c2noc(CN3CCN(C(=O)C(=O)NCC[NH3+])CC3)n2)cc1 ZINC000419838734 1072210985 /nfs/dbraw/zinc/21/09/85/1072210985.db2.gz OVKXVNNYJLWMAL-UHFFFAOYSA-N 1 0 388.428 -0.536 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1)NC1CCCCC1 ZINC000419838758 1072211219 /nfs/dbraw/zinc/21/12/19/1072211219.db2.gz GPTYQKLKAZGXNA-UHFFFAOYSA-N 1 0 379.505 -0.552 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419839028 1072211076 /nfs/dbraw/zinc/21/10/76/1072211076.db2.gz AIPGPSINKGMVPP-CYBMUJFWSA-N 1 0 388.424 -0.764 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419839031 1072211245 /nfs/dbraw/zinc/21/12/45/1072211245.db2.gz AIPGPSINKGMVPP-ZDUSSCGKSA-N 1 0 388.424 -0.764 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCC[NH2+]C)CC2)nc1 ZINC000419839130 1072210908 /nfs/dbraw/zinc/21/09/08/1072210908.db2.gz ATGDQMVRZKSZBK-UHFFFAOYSA-N 1 0 377.445 -0.367 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839381 1072211061 /nfs/dbraw/zinc/21/10/61/1072211061.db2.gz HHKZDPANFMTLPG-DZKIICNBSA-N 1 0 380.468 -0.341 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839385 1072211367 /nfs/dbraw/zinc/21/13/67/1072211367.db2.gz HHKZDPANFMTLPG-LZWOXQAQSA-N 1 0 380.468 -0.341 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000419839454 1072211151 /nfs/dbraw/zinc/21/11/51/1072211151.db2.gz HLFOOUZMWYIHSN-BRWVUGGUSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000419839455 1072211281 /nfs/dbraw/zinc/21/12/81/1072211281.db2.gz HLFOOUZMWYIHSN-IKGGRYGDSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000419839458 1072210919 /nfs/dbraw/zinc/21/09/19/1072210919.db2.gz HLFOOUZMWYIHSN-IXDOHACOSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000419839459 1072211007 /nfs/dbraw/zinc/21/10/07/1072211007.db2.gz HLFOOUZMWYIHSN-ZACQAIPSSA-N 1 0 393.532 -0.306 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419839476 1072211067 /nfs/dbraw/zinc/21/10/67/1072211067.db2.gz HLUHIABHKSSKAK-AWEZNQCLSA-N 1 0 382.486 -0.400 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419839477 1072210999 /nfs/dbraw/zinc/21/09/99/1072210999.db2.gz HLUHIABHKSSKAK-CQSZACIVSA-N 1 0 382.486 -0.400 20 0 GBADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c(C)c1 ZINC000419839602 1072211354 /nfs/dbraw/zinc/21/13/54/1072211354.db2.gz QLGNDUNOCDJYJK-HNNXBMFYSA-N 1 0 376.457 -0.184 20 0 GBADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c(C)c1 ZINC000419839603 1072211375 /nfs/dbraw/zinc/21/13/75/1072211375.db2.gz QLGNDUNOCDJYJK-OAHLLOKOSA-N 1 0 376.457 -0.184 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419839625 1072211292 /nfs/dbraw/zinc/21/12/92/1072211292.db2.gz QPDBRMQKETYLRT-UHFFFAOYSA-N 1 0 375.473 -0.203 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1C ZINC000419839645 1072210990 /nfs/dbraw/zinc/21/09/90/1072210990.db2.gz QSTNGYVLODNFRZ-UHFFFAOYSA-N 1 0 382.486 -0.399 20 0 GBADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c(C)s1 ZINC000419840123 530349931 /nfs/dbraw/zinc/34/99/31/530349931.db2.gz RPWUNFJHTRBOGR-UHFFFAOYSA-N 1 0 388.515 -0.337 20 0 GBADRO CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419840159 1072211180 /nfs/dbraw/zinc/21/11/80/1072211180.db2.gz RTSZAAFQIXJSEZ-AWEZNQCLSA-N 1 0 376.457 -0.238 20 0 GBADRO CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419840160 1072211038 /nfs/dbraw/zinc/21/10/38/1072211038.db2.gz RTSZAAFQIXJSEZ-CQSZACIVSA-N 1 0 376.457 -0.238 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419840175 1072211211 /nfs/dbraw/zinc/21/12/11/1072211211.db2.gz CIGWJXULTXPUCE-UHFFFAOYSA-N 1 0 382.486 -0.446 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000419840192 1072211308 /nfs/dbraw/zinc/21/13/08/1072211308.db2.gz CLIQVQHGAAFLBW-UHFFFAOYSA-N 1 0 376.457 -0.366 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419840900 1072211909 /nfs/dbraw/zinc/21/19/09/1072211909.db2.gz DYOXEPQBHYYWMK-HOTGVXAUSA-N 1 0 381.521 -0.639 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419840901 1072211948 /nfs/dbraw/zinc/21/19/48/1072211948.db2.gz DYOXEPQBHYYWMK-HZPDHXFCSA-N 1 0 381.521 -0.639 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419840902 1072211872 /nfs/dbraw/zinc/21/18/72/1072211872.db2.gz DYOXEPQBHYYWMK-IYBDPMFKSA-N 1 0 381.521 -0.639 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419840928 1072211903 /nfs/dbraw/zinc/21/19/03/1072211903.db2.gz FCNYZIZWQNBZJX-UHFFFAOYSA-N 1 0 393.463 -0.575 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000419840974 1072211732 /nfs/dbraw/zinc/21/17/32/1072211732.db2.gz FILYTFUOHCGNST-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419841028 1072212200 /nfs/dbraw/zinc/21/22/00/1072212200.db2.gz SXPGFSYTNNDCQA-CYBMUJFWSA-N 1 0 386.449 -0.440 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419841029 1072212056 /nfs/dbraw/zinc/21/20/56/1072212056.db2.gz SXPGFSYTNNDCQA-ZDUSSCGKSA-N 1 0 386.449 -0.440 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000419841060 1072211896 /nfs/dbraw/zinc/21/18/96/1072211896.db2.gz TXTVVXMSQJSTKC-UHFFFAOYSA-N 1 0 382.848 -0.145 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000419841358 1072211855 /nfs/dbraw/zinc/21/18/55/1072211855.db2.gz GDRQEZHYDQMZBE-UHFFFAOYSA-N 1 0 376.457 -0.018 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000419841771 1072212018 /nfs/dbraw/zinc/21/20/18/1072212018.db2.gz AHUNREFXPLLVFB-AWEZNQCLSA-N 1 0 394.907 -0.159 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000419841776 1072212040 /nfs/dbraw/zinc/21/20/40/1072212040.db2.gz AHUNREFXPLLVFB-CQSZACIVSA-N 1 0 394.907 -0.159 20 0 GBADRO [NH3+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000419841801 1072211884 /nfs/dbraw/zinc/21/18/84/1072211884.db2.gz UUCBBJZMNNDSRL-UHFFFAOYSA-N 1 0 390.412 -0.737 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419841960 1072212047 /nfs/dbraw/zinc/21/20/47/1072212047.db2.gz VFXAICZFVCVWQE-UHFFFAOYSA-N 1 0 376.457 -0.236 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1)NC1CCCCC1 ZINC000419842165 1072212178 /nfs/dbraw/zinc/21/21/78/1072212178.db2.gz HNVJSLAYSWKTBB-UHFFFAOYSA-N 1 0 393.532 -0.162 20 0 GBADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419842266 1072212066 /nfs/dbraw/zinc/21/20/66/1072212066.db2.gz BDYSZRAYZGSATP-UHFFFAOYSA-N 1 0 394.497 -0.222 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419842380 1072212141 /nfs/dbraw/zinc/21/21/41/1072212141.db2.gz LKEDKXIYAZWZEK-INIZCTEOSA-N 1 0 388.468 -0.223 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419842381 1072212008 /nfs/dbraw/zinc/21/20/08/1072212008.db2.gz LKEDKXIYAZWZEK-MRXNPFEDSA-N 1 0 388.468 -0.223 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842425 1072211940 /nfs/dbraw/zinc/21/19/40/1072211940.db2.gz LOBYUBRMYNGOMJ-HNNXBMFYSA-N 1 0 394.497 -0.304 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842426 1072211762 /nfs/dbraw/zinc/21/17/62/1072211762.db2.gz LOBYUBRMYNGOMJ-OAHLLOKOSA-N 1 0 394.497 -0.304 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000419842492 1072212169 /nfs/dbraw/zinc/21/21/69/1072212169.db2.gz HXWFGKSVASJTSW-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1c1nccn2cnnc12 ZINC000419842574 1072211987 /nfs/dbraw/zinc/21/19/87/1072211987.db2.gz BKPDUAHSPCNLLG-CYBMUJFWSA-N 1 0 386.460 -0.580 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1c1nccn2cnnc12 ZINC000419842577 1072211864 /nfs/dbraw/zinc/21/18/64/1072211864.db2.gz BKPDUAHSPCNLLG-ZDUSSCGKSA-N 1 0 386.460 -0.580 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)nc1 ZINC000419842605 1072212130 /nfs/dbraw/zinc/21/21/30/1072212130.db2.gz BNLQSPPZLWRVQF-UHFFFAOYSA-N 1 0 390.488 -0.850 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419843012 1072211793 /nfs/dbraw/zinc/21/17/93/1072211793.db2.gz CLLPWJXYKVYHJP-HNNXBMFYSA-N 1 0 391.447 -0.541 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419843013 1072211782 /nfs/dbraw/zinc/21/17/82/1072211782.db2.gz CLLPWJXYKVYHJP-OAHLLOKOSA-N 1 0 391.447 -0.541 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000419843079 1072212190 /nfs/dbraw/zinc/21/21/90/1072212190.db2.gz AEJAEFPCWBBMJK-UHFFFAOYSA-N 1 0 376.457 -0.230 20 0 GBADRO CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419843107 1072211708 /nfs/dbraw/zinc/21/17/08/1072211708.db2.gz CSFPZFWVDVGTGU-INIZCTEOSA-N 1 0 382.505 -0.022 20 0 GBADRO CC(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419843109 1072212033 /nfs/dbraw/zinc/21/20/33/1072212033.db2.gz CSFPZFWVDVGTGU-MRXNPFEDSA-N 1 0 382.505 -0.022 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000419843123 1072211719 /nfs/dbraw/zinc/21/17/19/1072211719.db2.gz WZGUVVZZXSBDJM-UHFFFAOYSA-N 1 0 394.375 -0.988 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419843152 1072211802 /nfs/dbraw/zinc/21/18/02/1072211802.db2.gz CUURKMFBQPKMAC-HNNXBMFYSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419843155 1072211751 /nfs/dbraw/zinc/21/17/51/1072211751.db2.gz CUURKMFBQPKMAC-OAHLLOKOSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000419843168 1072211827 /nfs/dbraw/zinc/21/18/27/1072211827.db2.gz CVNNSABNOPGWNE-KRWDZBQOSA-N 1 0 387.484 -0.512 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000419843175 1072212163 /nfs/dbraw/zinc/21/21/63/1072212163.db2.gz CVNNSABNOPGWNE-QGZVFWFLSA-N 1 0 387.484 -0.512 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000419843293 1072211810 /nfs/dbraw/zinc/21/18/10/1072211810.db2.gz MLQOMSYAWUPVMH-CYBMUJFWSA-N 1 0 380.411 -0.032 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000419843296 1072211673 /nfs/dbraw/zinc/21/16/73/1072211673.db2.gz MLQOMSYAWUPVMH-ZDUSSCGKSA-N 1 0 380.411 -0.032 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)NCCC[NH3+])CC2)c(OC)c1OC ZINC000419843314 1072211959 /nfs/dbraw/zinc/21/19/59/1072211959.db2.gz XOUNXVLCAAUNTK-UHFFFAOYSA-N 1 0 394.472 -0.178 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000419843513 1072212594 /nfs/dbraw/zinc/21/25/94/1072212594.db2.gz MVTWUCYWAAGVDP-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000419843516 1072212617 /nfs/dbraw/zinc/21/26/17/1072212617.db2.gz MVTWUCYWAAGVDP-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843570 1072212549 /nfs/dbraw/zinc/21/25/49/1072212549.db2.gz AXYGGXNHGHLPGJ-INIZCTEOSA-N 1 0 391.516 -0.019 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843580 1072212650 /nfs/dbraw/zinc/21/26/50/1072212650.db2.gz AXYGGXNHGHLPGJ-MRXNPFEDSA-N 1 0 391.516 -0.019 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419843584 1072212670 /nfs/dbraw/zinc/21/26/70/1072212670.db2.gz MZXVDXFYQDSUDT-AEFFLSMTSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419843589 1072212856 /nfs/dbraw/zinc/21/28/56/1072212856.db2.gz MZXVDXFYQDSUDT-FUHWJXTLSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419843594 1072212876 /nfs/dbraw/zinc/21/28/76/1072212876.db2.gz MZXVDXFYQDSUDT-SJLPKXTDSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419843598 1072212971 /nfs/dbraw/zinc/21/29/71/1072212971.db2.gz MZXVDXFYQDSUDT-WMZOPIPTSA-N 1 0 399.495 -0.196 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(=O)NCCC[NH3+])C2)cc1 ZINC000419844143 1072212028 /nfs/dbraw/zinc/21/20/28/1072212028.db2.gz YRWRCYUCZKXNGX-HNNXBMFYSA-N 1 0 396.513 -0.023 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(=O)NCCC[NH3+])C2)cc1 ZINC000419844146 1072211998 /nfs/dbraw/zinc/21/19/98/1072211998.db2.gz YRWRCYUCZKXNGX-OAHLLOKOSA-N 1 0 396.513 -0.023 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419844204 1072212681 /nfs/dbraw/zinc/21/26/81/1072212681.db2.gz LBMJPAXAZLZSPI-CVEARBPZSA-N 1 0 381.521 -0.449 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000419844208 1072212982 /nfs/dbraw/zinc/21/29/82/1072212982.db2.gz 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ZINC000419854308 1072213502 /nfs/dbraw/zinc/21/35/02/1072213502.db2.gz OXRKSTMNUIMTKV-UHFFFAOYSA-N 1 0 393.513 -0.556 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000419854319 1072213520 /nfs/dbraw/zinc/21/35/20/1072213520.db2.gz OZLSVISGGDIPJT-DLBZAZTESA-N 1 0 378.448 -0.129 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000419854321 1072213533 /nfs/dbraw/zinc/21/35/33/1072213533.db2.gz OZLSVISGGDIPJT-IAGOWNOFSA-N 1 0 378.448 -0.129 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000419854322 1072213680 /nfs/dbraw/zinc/21/36/80/1072213680.db2.gz OZLSVISGGDIPJT-IRXDYDNUSA-N 1 0 378.448 -0.129 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000419854324 1072213429 /nfs/dbraw/zinc/21/34/29/1072213429.db2.gz OZLSVISGGDIPJT-SJORKVTESA-N 1 0 378.448 -0.129 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)nc1 ZINC000419854587 1072214394 /nfs/dbraw/zinc/21/43/94/1072214394.db2.gz BUEFLSWFJRUXGG-HNNXBMFYSA-N 1 0 389.456 -0.240 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)nc1 ZINC000419854588 1072214236 /nfs/dbraw/zinc/21/42/36/1072214236.db2.gz BUEFLSWFJRUXGG-OAHLLOKOSA-N 1 0 389.456 -0.240 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419854602 1072214597 /nfs/dbraw/zinc/21/45/97/1072214597.db2.gz VJJHTZQINHLURM-UHFFFAOYSA-N 1 0 381.521 -0.353 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000419854909 1072214570 /nfs/dbraw/zinc/21/45/70/1072214570.db2.gz PWNZYHLVWRACDW-UHFFFAOYSA-N 1 0 375.473 -0.548 20 0 GBADRO CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000419855184 1072214127 /nfs/dbraw/zinc/21/41/27/1072214127.db2.gz WEYMXLMQIJPNTM-UHFFFAOYSA-N 1 0 377.489 -0.407 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O ZINC000419855333 1072213396 /nfs/dbraw/zinc/21/33/96/1072213396.db2.gz QJMRFCULOYMEEY-INIZCTEOSA-N 1 0 394.520 -0.998 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CCN2C1=O ZINC000419855337 1072213753 /nfs/dbraw/zinc/21/37/53/1072213753.db2.gz QJMRFCULOYMEEY-MRXNPFEDSA-N 1 0 394.520 -0.998 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419855363 1072214578 /nfs/dbraw/zinc/21/45/78/1072214578.db2.gz HPMRBHGAYJEEDV-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419855365 1072214541 /nfs/dbraw/zinc/21/45/41/1072214541.db2.gz HPMRBHGAYJEEDV-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419855368 1072214192 /nfs/dbraw/zinc/21/41/92/1072214192.db2.gz HPMRBHGAYJEEDV-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419855370 1072214281 /nfs/dbraw/zinc/21/42/81/1072214281.db2.gz HPMRBHGAYJEEDV-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1C ZINC000419855614 1072214603 /nfs/dbraw/zinc/21/46/03/1072214603.db2.gz DGFAYWUKCYCNOX-INIZCTEOSA-N 1 0 387.484 -0.136 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000419855615 1072214213 /nfs/dbraw/zinc/21/42/13/1072214213.db2.gz DGFAYWUKCYCNOX-MRXNPFEDSA-N 1 0 387.484 -0.136 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419855630 1072214419 /nfs/dbraw/zinc/21/44/19/1072214419.db2.gz DIMLBLORAPWERW-KRWDZBQOSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000419855644 1072214469 /nfs/dbraw/zinc/21/44/69/1072214469.db2.gz QWZYNMHOIJAZEG-UHFFFAOYSA-N 1 0 393.532 -0.351 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419855674 1072214326 /nfs/dbraw/zinc/21/43/26/1072214326.db2.gz RBKZSRHEGMVSBY-UHFFFAOYSA-N 1 0 381.521 -0.353 20 0 GBADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NCCCN1CC[NH2+]CC1)CC2 ZINC000419855722 1072214163 /nfs/dbraw/zinc/21/41/63/1072214163.db2.gz RELOMSNHDOYVBW-UHFFFAOYSA-N 1 0 388.468 -0.231 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000419855878 1072214219 /nfs/dbraw/zinc/21/42/19/1072214219.db2.gz XEXMQKHKRHPNSD-UHFFFAOYSA-N 1 0 394.497 -0.304 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419855931 1072214534 /nfs/dbraw/zinc/21/45/34/1072214534.db2.gz DIMLBLORAPWERW-QGZVFWFLSA-N 1 0 388.468 -0.102 20 0 GBADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419856061 1072214460 /nfs/dbraw/zinc/21/44/60/1072214460.db2.gz RTIGGCZMKTXZJP-UHFFFAOYSA-N 1 0 395.485 -0.827 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000419856067 1072214175 /nfs/dbraw/zinc/21/41/75/1072214175.db2.gz RTKPGISNNCEEIV-KRWDZBQOSA-N 1 0 381.521 -0.889 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000419856071 1072214317 /nfs/dbraw/zinc/21/43/17/1072214317.db2.gz RTKPGISNNCEEIV-QGZVFWFLSA-N 1 0 381.521 -0.889 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419856324 1072214116 /nfs/dbraw/zinc/21/41/16/1072214116.db2.gz XSFASFJKHDVFEB-UHFFFAOYSA-N 1 0 386.449 -0.616 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000419856402 1072214508 /nfs/dbraw/zinc/21/45/08/1072214508.db2.gz YAROVPRCRYAIEZ-UHFFFAOYSA-N 1 0 396.513 -0.138 20 0 GBADRO C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419856540 1072214450 /nfs/dbraw/zinc/21/44/50/1072214450.db2.gz SHOFFVKVKCWGMD-HNNXBMFYSA-N 1 0 394.545 -0.240 20 0 GBADRO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419856542 1072214585 /nfs/dbraw/zinc/21/45/85/1072214585.db2.gz SHOFFVKVKCWGMD-OAHLLOKOSA-N 1 0 394.545 -0.240 20 0 GBADRO Cc1nc(CN2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)cs1 ZINC000419856581 1072214552 /nfs/dbraw/zinc/21/45/52/1072214552.db2.gz SLMBLSQNXCKHCS-UHFFFAOYSA-N 1 0 394.545 -0.493 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419856671 1072214411 /nfs/dbraw/zinc/21/44/11/1072214411.db2.gz SXATXIWOKLPXLX-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419856672 1072214374 /nfs/dbraw/zinc/21/43/74/1072214374.db2.gz SXATXIWOKLPXLX-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO O=C(NCCCc1ccc2c(c1)OCCO2)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419856682 1072214144 /nfs/dbraw/zinc/21/41/44/1072214144.db2.gz SYCDZVCUPFRVQJ-UHFFFAOYSA-N 1 0 390.484 -0.082 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419856688 1072214518 /nfs/dbraw/zinc/21/45/18/1072214518.db2.gz SYLMPEBLTLSSNX-HNNXBMFYSA-N 1 0 376.457 -0.304 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419856689 1072214293 /nfs/dbraw/zinc/21/42/93/1072214293.db2.gz SYLMPEBLTLSSNX-OAHLLOKOSA-N 1 0 376.457 -0.304 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419856793 1072214500 /nfs/dbraw/zinc/21/45/00/1072214500.db2.gz FUUIAUMWKVRDQI-BBRMVZONSA-N 1 0 379.505 -0.569 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419856795 1072214559 /nfs/dbraw/zinc/21/45/59/1072214559.db2.gz FUUIAUMWKVRDQI-CJNGLKHVSA-N 1 0 379.505 -0.569 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419856797 1072214527 /nfs/dbraw/zinc/21/45/27/1072214527.db2.gz FUUIAUMWKVRDQI-CZUORRHYSA-N 1 0 379.505 -0.569 20 0 GBADRO C[NH2+]CCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419856798 1072214610 /nfs/dbraw/zinc/21/46/10/1072214610.db2.gz YHWIZUXRUJCVPD-UHFFFAOYSA-N 1 0 379.436 -0.366 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419856799 1072214389 /nfs/dbraw/zinc/21/43/89/1072214389.db2.gz FUUIAUMWKVRDQI-XJKSGUPXSA-N 1 0 379.505 -0.569 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000419856844 1072214356 /nfs/dbraw/zinc/21/43/56/1072214356.db2.gz YRZHEPWOAZDVLI-UHFFFAOYSA-N 1 0 397.501 -0.829 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1=O ZINC000419856847 1072214404 /nfs/dbraw/zinc/21/44/04/1072214404.db2.gz YTGFEOZIYNXSSE-UHFFFAOYSA-N 1 0 391.472 -0.615 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000419857073 1072214200 /nfs/dbraw/zinc/21/42/00/1072214200.db2.gz UGJLESIZTAGXLT-KRWDZBQOSA-N 1 0 376.457 -0.296 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000419857074 1072214228 /nfs/dbraw/zinc/21/42/28/1072214228.db2.gz UGJLESIZTAGXLT-QGZVFWFLSA-N 1 0 376.457 -0.296 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCN1CCc2sccc2C1 ZINC000419857083 1072214253 /nfs/dbraw/zinc/21/42/53/1072214253.db2.gz UIPUMIFOIAFDKS-UHFFFAOYSA-N 1 0 379.530 -0.366 20 0 GBADRO O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419857202 1072214616 /nfs/dbraw/zinc/21/46/16/1072214616.db2.gz ZGHGAWHEMMCHAK-UHFFFAOYSA-N 1 0 392.431 -0.257 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000419857395 1072215511 /nfs/dbraw/zinc/21/55/11/1072215511.db2.gz UPUDSPMBCDMJEU-UHFFFAOYSA-N 1 0 389.500 -0.245 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000419857437 1072215197 /nfs/dbraw/zinc/21/51/97/1072215197.db2.gz GGNFOFYXOWOLPN-INIZCTEOSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000419857452 1072215255 /nfs/dbraw/zinc/21/52/55/1072215255.db2.gz GGNFOFYXOWOLPN-MRXNPFEDSA-N 1 0 394.497 -0.237 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000419857557 1072214989 /nfs/dbraw/zinc/21/49/89/1072214989.db2.gz GNKQZBWFBFIGOP-HNNXBMFYSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000419857559 1072215417 /nfs/dbraw/zinc/21/54/17/1072215417.db2.gz GNKQZBWFBFIGOP-OAHLLOKOSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000419858198 1072215083 /nfs/dbraw/zinc/21/50/83/1072215083.db2.gz WICRMDRQDJKJRL-UHFFFAOYSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)[C@H](C)C2)[nH]n1 ZINC000419858206 1072215350 /nfs/dbraw/zinc/21/53/50/1072215350.db2.gz WIVHDIKYSDYSEB-CYBMUJFWSA-N 1 0 376.461 -0.351 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C(=O)N1c1ccccc1 ZINC000419858213 1072215319 /nfs/dbraw/zinc/21/53/19/1072215319.db2.gz WKTLWFBUBQWIRI-DOTOQJQBSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C(=O)N1c1ccccc1 ZINC000419858214 1072215410 /nfs/dbraw/zinc/21/54/10/1072215410.db2.gz WKTLWFBUBQWIRI-NVXWUHKLSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C(=O)N1c1ccccc1 ZINC000419858215 1072215168 /nfs/dbraw/zinc/21/51/68/1072215168.db2.gz WKTLWFBUBQWIRI-RDJZCZTQSA-N 1 0 387.484 -0.292 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C(=O)N1c1ccccc1 ZINC000419858216 1072215503 /nfs/dbraw/zinc/21/55/03/1072215503.db2.gz WKTLWFBUBQWIRI-WBVHZDCISA-N 1 0 387.484 -0.292 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000419858290 1072215453 /nfs/dbraw/zinc/21/54/53/1072215453.db2.gz HRXHZYOMFGHTDW-KRWDZBQOSA-N 1 0 399.495 -0.427 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000419858292 1072215337 /nfs/dbraw/zinc/21/53/37/1072215337.db2.gz HRXHZYOMFGHTDW-QGZVFWFLSA-N 1 0 399.495 -0.427 20 0 GBADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419858466 1072215459 /nfs/dbraw/zinc/21/54/59/1072215459.db2.gz WPWPEXLEZVFDNA-HNNXBMFYSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419858467 1072214975 /nfs/dbraw/zinc/21/49/75/1072214975.db2.gz WPWPEXLEZVFDNA-OAHLLOKOSA-N 1 0 378.473 -0.010 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000419858791 1072215063 /nfs/dbraw/zinc/21/50/63/1072215063.db2.gz XPBZYUAHYSPMNC-UHFFFAOYSA-N 1 0 394.907 -0.205 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858970 1072215092 /nfs/dbraw/zinc/21/50/92/1072215092.db2.gz IXYSRSQXHWLXQW-GDBMZVCRSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419858972 1072215464 /nfs/dbraw/zinc/21/54/64/1072215464.db2.gz IXYSRSQXHWLXQW-GOEBONIOSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858974 1072215132 /nfs/dbraw/zinc/21/51/32/1072215132.db2.gz IXYSRSQXHWLXQW-HOCLYGCPSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419858976 1072215295 /nfs/dbraw/zinc/21/52/95/1072215295.db2.gz IXYSRSQXHWLXQW-ZBFHGGJFSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000419858979 1072215120 /nfs/dbraw/zinc/21/51/20/1072215120.db2.gz IYESWWSZWSSFOS-BFYDXBDKSA-N 1 0 393.532 -0.511 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1)N1CCCCC1 ZINC000419859043 1072215047 /nfs/dbraw/zinc/21/50/47/1072215047.db2.gz XXMICQYZGMGHMT-UHFFFAOYSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000419859053 1072215327 /nfs/dbraw/zinc/21/53/27/1072215327.db2.gz XZBGMYBCIDOHKA-UHFFFAOYSA-N 1 0 384.484 -0.058 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000419859122 1072215406 /nfs/dbraw/zinc/21/54/06/1072215406.db2.gz IYESWWSZWSSFOS-HLLBOEOZSA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000419859123 1072215114 /nfs/dbraw/zinc/21/51/14/1072215114.db2.gz IYESWWSZWSSFOS-INMHGKMJSA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000419859124 1072215103 /nfs/dbraw/zinc/21/51/03/1072215103.db2.gz IYESWWSZWSSFOS-UXLLHSPISA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000419859618 1072215144 /nfs/dbraw/zinc/21/51/44/1072215144.db2.gz ZDRAQPJJOWVAST-KRWDZBQOSA-N 1 0 387.528 -0.039 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000419859620 1072215017 /nfs/dbraw/zinc/21/50/17/1072215017.db2.gz ZDRAQPJJOWVAST-QGZVFWFLSA-N 1 0 387.528 -0.039 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000419859815 1072215522 /nfs/dbraw/zinc/21/55/22/1072215522.db2.gz KHXBWFHQSSSTMZ-KRWDZBQOSA-N 1 0 387.484 -0.700 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000419859816 1072215490 /nfs/dbraw/zinc/21/54/90/1072215490.db2.gz KHXBWFHQSSSTMZ-QGZVFWFLSA-N 1 0 387.484 -0.700 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419859861 1072215422 /nfs/dbraw/zinc/21/54/22/1072215422.db2.gz AWVZPPBSZIQLSG-UHFFFAOYSA-N 1 0 375.473 -0.747 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000419859870 1072215002 /nfs/dbraw/zinc/21/50/02/1072215002.db2.gz AYXILEDMUNAHBF-UHFFFAOYSA-N 1 0 377.464 -0.114 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000419859894 1072215230 /nfs/dbraw/zinc/21/52/30/1072215230.db2.gz BDABTNBNZDWTSF-KRWDZBQOSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000419859895 1072215213 /nfs/dbraw/zinc/21/52/13/1072215213.db2.gz BDABTNBNZDWTSF-QGZVFWFLSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000419859909 1072215427 /nfs/dbraw/zinc/21/54/27/1072215427.db2.gz BHCDZSBXKDCKPK-UHFFFAOYSA-N 1 0 389.500 -0.769 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)s1 ZINC000419860032 1072214957 /nfs/dbraw/zinc/21/49/57/1072214957.db2.gz KIVNWLVPRQZXGW-GFCCVEGCSA-N 1 0 395.485 -0.178 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)s1 ZINC000419860036 1072215245 /nfs/dbraw/zinc/21/52/45/1072215245.db2.gz KIVNWLVPRQZXGW-LBPRGKRZSA-N 1 0 395.485 -0.178 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000419860351 1072215937 /nfs/dbraw/zinc/21/59/37/1072215937.db2.gz BZWDHQBFHGWUJH-UHFFFAOYSA-N 1 0 379.530 -0.544 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1 ZINC000419860548 1072216111 /nfs/dbraw/zinc/21/61/11/1072216111.db2.gz LBDQZVOGRXGWGE-INIZCTEOSA-N 1 0 376.432 -0.108 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1 ZINC000419860552 1072216116 /nfs/dbraw/zinc/21/61/16/1072216116.db2.gz LBDQZVOGRXGWGE-MRXNPFEDSA-N 1 0 376.432 -0.108 20 0 GBADRO COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC000419860672 1072215266 /nfs/dbraw/zinc/21/52/66/1072215266.db2.gz CGOJFVVKFPNZDB-HNNXBMFYSA-N 1 0 376.457 -0.474 20 0 GBADRO COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC000419860676 1072215517 /nfs/dbraw/zinc/21/55/17/1072215517.db2.gz CGOJFVVKFPNZDB-OAHLLOKOSA-N 1 0 376.457 -0.474 20 0 GBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860687 1072215435 /nfs/dbraw/zinc/21/54/35/1072215435.db2.gz CIXOHDAKBNPQSW-FGTMMUONSA-N 1 0 395.548 -0.502 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860689 1072215366 /nfs/dbraw/zinc/21/53/66/1072215366.db2.gz CIXOHDAKBNPQSW-KSZLIROESA-N 1 0 395.548 -0.502 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419860691 1072216067 /nfs/dbraw/zinc/21/60/67/1072216067.db2.gz CIXOHDAKBNPQSW-KURKYZTESA-N 1 0 395.548 -0.502 20 0 GBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419860693 1072216119 /nfs/dbraw/zinc/21/61/19/1072216119.db2.gz CIXOHDAKBNPQSW-KZNAEPCWSA-N 1 0 395.548 -0.502 20 0 GBADRO CCc1cnc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)s1 ZINC000419860717 1072216173 /nfs/dbraw/zinc/21/61/73/1072216173.db2.gz CNHFIDSFQYMRLJ-UHFFFAOYSA-N 1 0 380.518 -0.625 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CC1 ZINC000419860909 1072215496 /nfs/dbraw/zinc/21/54/96/1072215496.db2.gz LMNSQAOSZPZKCC-HNNXBMFYSA-N 1 0 391.447 -0.238 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CC1 ZINC000419860910 1072215509 /nfs/dbraw/zinc/21/55/09/1072215509.db2.gz LMNSQAOSZPZKCC-OAHLLOKOSA-N 1 0 391.447 -0.238 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419861010 1072215183 /nfs/dbraw/zinc/21/51/83/1072215183.db2.gz PDHJNZDSMWQEHL-INIZCTEOSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419861011 1072215285 /nfs/dbraw/zinc/21/52/85/1072215285.db2.gz PDHJNZDSMWQEHL-MRXNPFEDSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000419861079 1072215448 /nfs/dbraw/zinc/21/54/48/1072215448.db2.gz DEZVGMPYANHSQU-UHFFFAOYSA-N 1 0 383.390 -0.948 20 0 GBADRO CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861081 1072215401 /nfs/dbraw/zinc/21/54/01/1072215401.db2.gz DHBJXHGWAHILPL-INIZCTEOSA-N 1 0 381.521 -0.447 20 0 GBADRO CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861082 1072215308 /nfs/dbraw/zinc/21/53/08/1072215308.db2.gz DHBJXHGWAHILPL-MRXNPFEDSA-N 1 0 381.521 -0.447 20 0 GBADRO COc1cccc([C@H]2C[C@H](O)CN2C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419861453 1072216094 /nfs/dbraw/zinc/21/60/94/1072216094.db2.gz DVPGGPNPITXLJI-DOTOQJQBSA-N 1 0 376.457 -0.649 20 0 GBADRO COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419861454 1072216232 /nfs/dbraw/zinc/21/62/32/1072216232.db2.gz DVPGGPNPITXLJI-NVXWUHKLSA-N 1 0 376.457 -0.649 20 0 GBADRO COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419861455 1072216198 /nfs/dbraw/zinc/21/61/98/1072216198.db2.gz DVPGGPNPITXLJI-RDJZCZTQSA-N 1 0 376.457 -0.649 20 0 GBADRO COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419861456 1072216143 /nfs/dbraw/zinc/21/61/43/1072216143.db2.gz DVPGGPNPITXLJI-WBVHZDCISA-N 1 0 376.457 -0.649 20 0 GBADRO C[C@@H](N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1)C(F)(F)F ZINC000419861552 1072216178 /nfs/dbraw/zinc/21/61/78/1072216178.db2.gz FOYDUKGWXLMFGX-CYBMUJFWSA-N 1 0 379.427 -0.507 20 0 GBADRO C[C@H](N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1)C(F)(F)F ZINC000419861554 1072215844 /nfs/dbraw/zinc/21/58/44/1072215844.db2.gz FOYDUKGWXLMFGX-ZDUSSCGKSA-N 1 0 379.427 -0.507 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000419861734 1072216211 /nfs/dbraw/zinc/21/62/11/1072216211.db2.gz MMPJSHSVGZLDEU-BDVYOWHSSA-N 1 0 393.532 -0.321 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000419861735 1072216191 /nfs/dbraw/zinc/21/61/91/1072216191.db2.gz MMPJSHSVGZLDEU-PREGVCBESA-N 1 0 393.532 -0.321 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000419861779 1072216262 /nfs/dbraw/zinc/21/62/62/1072216262.db2.gz ABQLXUSYIAALPU-UHFFFAOYSA-N 1 0 377.445 -0.887 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000419861898 530350066 /nfs/dbraw/zinc/35/00/66/530350066.db2.gz ANVFRNBNTHXFFP-UHFFFAOYSA-N 1 0 388.877 -0.492 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000419861942 1072216035 /nfs/dbraw/zinc/21/60/35/1072216035.db2.gz FQUNFHDJQMPRMI-UHFFFAOYSA-N 1 0 382.468 -0.222 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419862367 1072216077 /nfs/dbraw/zinc/21/60/77/1072216077.db2.gz BHDWMPDIMLYZDF-UHFFFAOYSA-N 1 0 379.436 -0.366 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000419862470 1072215968 /nfs/dbraw/zinc/21/59/68/1072215968.db2.gz GLOXZMXNCGIGHD-UHFFFAOYSA-N 1 0 378.452 -0.719 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000419862500 1072215977 /nfs/dbraw/zinc/21/59/77/1072215977.db2.gz GPQFYNDFXUTSJX-UHFFFAOYSA-N 1 0 395.548 -0.451 20 0 GBADRO O=C(CCC1CCCC1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419862508 1072216183 /nfs/dbraw/zinc/21/61/83/1072216183.db2.gz GQBXMALSIYOEQP-UHFFFAOYSA-N 1 0 393.532 -0.351 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000419862518 1072216105 /nfs/dbraw/zinc/21/61/05/1072216105.db2.gz GRVHWVGQRPNNME-UHFFFAOYSA-N 1 0 375.473 -0.548 20 0 GBADRO COC(=O)c1cccc2c1CCN(C(=O)C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC000419862526 1072216148 /nfs/dbraw/zinc/21/61/48/1072216148.db2.gz GTWZSLKPOGLPEU-UHFFFAOYSA-N 1 0 388.468 -0.231 20 0 GBADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419862549 1072215878 /nfs/dbraw/zinc/21/58/78/1072215878.db2.gz GUTZIXUYQOZTMN-CVEARBPZSA-N 1 0 381.521 -0.449 20 0 GBADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419862550 1072216257 /nfs/dbraw/zinc/21/62/57/1072216257.db2.gz GUTZIXUYQOZTMN-HOTGVXAUSA-N 1 0 381.521 -0.449 20 0 GBADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419862551 1072215826 /nfs/dbraw/zinc/21/58/26/1072215826.db2.gz GUTZIXUYQOZTMN-HZPDHXFCSA-N 1 0 381.521 -0.449 20 0 GBADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419862552 1072216157 /nfs/dbraw/zinc/21/61/57/1072216157.db2.gz GUTZIXUYQOZTMN-JKSUJKDBSA-N 1 0 381.521 -0.449 20 0 GBADRO O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419862571 1072216102 /nfs/dbraw/zinc/21/61/02/1072216102.db2.gz GYFJDTHRGNMRGZ-UHFFFAOYSA-N 1 0 393.463 -0.527 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419862650 1072215862 /nfs/dbraw/zinc/21/58/62/1072215862.db2.gz MZCARADOVZGLNK-AWEZNQCLSA-N 1 0 398.460 -0.473 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419862652 1072216048 /nfs/dbraw/zinc/21/60/48/1072216048.db2.gz MZCARADOVZGLNK-CQSZACIVSA-N 1 0 398.460 -0.473 20 0 GBADRO C[C@@H](c1ccsc1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419863068 1072216245 /nfs/dbraw/zinc/21/62/45/1072216245.db2.gz HIZDVZDDJPSYST-HNNXBMFYSA-N 1 0 379.530 -0.025 20 0 GBADRO C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419863072 1072216087 /nfs/dbraw/zinc/21/60/87/1072216087.db2.gz HIZDVZDDJPSYST-OAHLLOKOSA-N 1 0 379.530 -0.025 20 0 GBADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863111 1072216138 /nfs/dbraw/zinc/21/61/38/1072216138.db2.gz HNAZTTJFCQEXKO-DLBZAZTESA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863112 1072216240 /nfs/dbraw/zinc/21/62/40/1072216240.db2.gz HNAZTTJFCQEXKO-IAGOWNOFSA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863113 1072216167 /nfs/dbraw/zinc/21/61/67/1072216167.db2.gz HNAZTTJFCQEXKO-IRXDYDNUSA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863114 1072216215 /nfs/dbraw/zinc/21/62/15/1072216215.db2.gz HNAZTTJFCQEXKO-SJORKVTESA-N 1 0 395.548 -0.059 20 0 GBADRO CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000419863116 1072216021 /nfs/dbraw/zinc/21/60/21/1072216021.db2.gz HNPWKTNBGBEUSI-KRWDZBQOSA-N 1 0 383.537 -0.739 20 0 GBADRO CC(C)C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000419863117 1072216008 /nfs/dbraw/zinc/21/60/08/1072216008.db2.gz HNPWKTNBGBEUSI-QGZVFWFLSA-N 1 0 383.537 -0.739 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000419863160 1072215902 /nfs/dbraw/zinc/21/59/02/1072215902.db2.gz NMFOBWXNVFSZJN-MSOLQXFVSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000419863161 1072215955 /nfs/dbraw/zinc/21/59/55/1072215955.db2.gz NMFOBWXNVFSZJN-QZTJIDSGSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000419863162 1072216082 /nfs/dbraw/zinc/21/60/82/1072216082.db2.gz NMFOBWXNVFSZJN-ROUUACIJSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000419863163 1072215997 /nfs/dbraw/zinc/21/59/97/1072215997.db2.gz NMFOBWXNVFSZJN-ZWKOTPCHSA-N 1 0 399.495 -0.210 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)nc2ccccc12 ZINC000419863202 1072215888 /nfs/dbraw/zinc/21/58/88/1072215888.db2.gz NPPQXEAWGAOVAY-HNNXBMFYSA-N 1 0 397.483 -0.290 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)nc2ccccc12 ZINC000419863203 1072216222 /nfs/dbraw/zinc/21/62/22/1072216222.db2.gz NPPQXEAWGAOVAY-OAHLLOKOSA-N 1 0 397.483 -0.290 20 0 GBADRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863749 1072217005 /nfs/dbraw/zinc/21/70/05/1072217005.db2.gz IFCZZMLIKAMOIM-DLBZAZTESA-N 1 0 381.521 -0.354 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H](CC)CN1C(C)=O ZINC000419863752 1072216625 /nfs/dbraw/zinc/21/66/25/1072216625.db2.gz IFCZZMLIKAMOIM-IAGOWNOFSA-N 1 0 381.521 -0.354 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H](CC)CN1C(C)=O ZINC000419863756 1072216995 /nfs/dbraw/zinc/21/69/95/1072216995.db2.gz IFCZZMLIKAMOIM-IRXDYDNUSA-N 1 0 381.521 -0.354 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H](CC)CN1C(C)=O ZINC000419863760 1072216845 /nfs/dbraw/zinc/21/68/45/1072216845.db2.gz IFCZZMLIKAMOIM-SJORKVTESA-N 1 0 381.521 -0.354 20 0 GBADRO CCOc1ccc(NC(=O)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419864348 1072217045 /nfs/dbraw/zinc/21/70/45/1072217045.db2.gz INNIIGKWXJAWPH-UHFFFAOYSA-N 1 0 391.472 -0.449 20 0 GBADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864446 1072216954 /nfs/dbraw/zinc/21/69/54/1072216954.db2.gz IXZOGHDYZZZVFQ-HNNXBMFYSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419864448 1072216857 /nfs/dbraw/zinc/21/68/57/1072216857.db2.gz IXZOGHDYZZZVFQ-OAHLLOKOSA-N 1 0 378.473 -0.010 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cs1 ZINC000419864519 1072216590 /nfs/dbraw/zinc/21/65/90/1072216590.db2.gz ACCLOULUXHMZKE-UHFFFAOYSA-N 1 0 394.545 -0.629 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419864544 1072216966 /nfs/dbraw/zinc/21/69/66/1072216966.db2.gz DRYVXTDSFMNRPT-KRWDZBQOSA-N 1 0 387.484 -0.338 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419864547 1072216939 /nfs/dbraw/zinc/21/69/39/1072216939.db2.gz DRYVXTDSFMNRPT-QGZVFWFLSA-N 1 0 387.484 -0.338 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000419864647 1072217032 /nfs/dbraw/zinc/21/70/32/1072217032.db2.gz AHBYZKASZKRPBE-HNNXBMFYSA-N 1 0 389.456 -0.225 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000419864651 1072216718 /nfs/dbraw/zinc/21/67/18/1072216718.db2.gz AHBYZKASZKRPBE-OAHLLOKOSA-N 1 0 389.456 -0.225 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419864724 1072216973 /nfs/dbraw/zinc/21/69/73/1072216973.db2.gz ABXPSMLRTYXOPA-KBPBESRZSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419864731 1072216797 /nfs/dbraw/zinc/21/67/97/1072216797.db2.gz ABXPSMLRTYXOPA-KGLIPLIRSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419864735 1072216676 /nfs/dbraw/zinc/21/66/76/1072216676.db2.gz ABXPSMLRTYXOPA-UONOGXRCSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419864739 1072216774 /nfs/dbraw/zinc/21/67/74/1072216774.db2.gz ABXPSMLRTYXOPA-ZIAGYGMSSA-N 1 0 376.461 -0.362 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000419865108 1072216650 /nfs/dbraw/zinc/21/66/50/1072216650.db2.gz AZZIFHJRTLZGMC-UHFFFAOYSA-N 1 0 382.486 -0.528 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000419865187 1072216684 /nfs/dbraw/zinc/21/66/84/1072216684.db2.gz JJGJOOJUKHLGPV-UHFFFAOYSA-N 1 0 377.464 -0.114 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000419865193 1072216910 /nfs/dbraw/zinc/21/69/10/1072216910.db2.gz JJWJCUGVPAMWAC-UHFFFAOYSA-N 1 0 397.483 -0.260 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000419865242 1072216706 /nfs/dbraw/zinc/21/67/06/1072216706.db2.gz JPHUMXDSQLKBSH-IAGOWNOFSA-N 1 0 388.468 -0.577 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000419865266 1072216789 /nfs/dbraw/zinc/21/67/89/1072216789.db2.gz JVDOBGWXGPDXDK-UHFFFAOYSA-N 1 0 393.463 -0.496 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865272 1072216749 /nfs/dbraw/zinc/21/67/49/1072216749.db2.gz JVPFJVPLBHGSOS-BBWFWOEESA-N 1 0 381.521 -0.892 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419865586 1072216779 /nfs/dbraw/zinc/21/67/79/1072216779.db2.gz ANDSCPSASAAJFY-HNNXBMFYSA-N 1 0 376.457 -0.174 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419865587 1072216694 /nfs/dbraw/zinc/21/66/94/1072216694.db2.gz ANDSCPSASAAJFY-OAHLLOKOSA-N 1 0 376.457 -0.174 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419865776 1072216862 /nfs/dbraw/zinc/21/68/62/1072216862.db2.gz UFSCBSLKNVXDKO-HNNXBMFYSA-N 1 0 394.497 -0.365 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419865779 1072216886 /nfs/dbraw/zinc/21/68/86/1072216886.db2.gz UFSCBSLKNVXDKO-OAHLLOKOSA-N 1 0 394.497 -0.365 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000419865923 1072216666 /nfs/dbraw/zinc/21/66/66/1072216666.db2.gz BPUYNIBHZYQHDO-UHFFFAOYSA-N 1 0 378.429 -0.676 20 0 GBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419865994 1072216567 /nfs/dbraw/zinc/21/65/67/1072216567.db2.gz JVPFJVPLBHGSOS-BRWVUGGUSA-N 1 0 381.521 -0.892 20 0 GBADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865995 1072216829 /nfs/dbraw/zinc/21/68/29/1072216829.db2.gz JVPFJVPLBHGSOS-IXDOHACOSA-N 1 0 381.521 -0.892 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419865996 1072216725 /nfs/dbraw/zinc/21/67/25/1072216725.db2.gz JVPFJVPLBHGSOS-ZACQAIPSSA-N 1 0 381.521 -0.892 20 0 GBADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419865999 1072216931 /nfs/dbraw/zinc/21/69/31/1072216931.db2.gz JWKBNDBXXSBCRM-CVEARBPZSA-N 1 0 381.521 -0.449 20 0 GBADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419866000 1072216873 /nfs/dbraw/zinc/21/68/73/1072216873.db2.gz JWKBNDBXXSBCRM-HOTGVXAUSA-N 1 0 381.521 -0.449 20 0 GBADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419866001 1072216614 /nfs/dbraw/zinc/21/66/14/1072216614.db2.gz JWKBNDBXXSBCRM-HZPDHXFCSA-N 1 0 381.521 -0.449 20 0 GBADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419866002 1072217013 /nfs/dbraw/zinc/21/70/13/1072217013.db2.gz JWKBNDBXXSBCRM-JKSUJKDBSA-N 1 0 381.521 -0.449 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000419866005 1072216959 /nfs/dbraw/zinc/21/69/59/1072216959.db2.gz JWSAINBRSIUKGL-NRFANRHFSA-N 1 0 388.512 -0.006 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000419866006 1072216660 /nfs/dbraw/zinc/21/66/60/1072216660.db2.gz JWSAINBRSIUKGL-OAQYLSRUSA-N 1 0 388.512 -0.006 20 0 GBADRO CCOc1ccc(NC(=O)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419866291 1072217023 /nfs/dbraw/zinc/21/70/23/1072217023.db2.gz KIVQATUSERCJGY-UHFFFAOYSA-N 1 0 377.445 -0.839 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc21 ZINC000419866438 1072216635 /nfs/dbraw/zinc/21/66/35/1072216635.db2.gz KLHHFDZVRAAQBT-KRWDZBQOSA-N 1 0 388.468 -0.303 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc21 ZINC000419866451 1072216786 /nfs/dbraw/zinc/21/67/86/1072216786.db2.gz KLHHFDZVRAAQBT-QGZVFWFLSA-N 1 0 388.468 -0.303 20 0 GBADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000419866901 1072217770 /nfs/dbraw/zinc/21/77/70/1072217770.db2.gz HRIRBENWHLGORG-UHFFFAOYSA-N 1 0 394.497 -0.094 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)C1CC1 ZINC000419866906 1072217596 /nfs/dbraw/zinc/21/75/96/1072217596.db2.gz QDDDKKUDVBLHRW-CYBMUJFWSA-N 1 0 380.411 -0.047 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)C1CC1 ZINC000419866913 1072217652 /nfs/dbraw/zinc/21/76/52/1072217652.db2.gz QDDDKKUDVBLHRW-ZDUSSCGKSA-N 1 0 380.411 -0.047 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000419866917 1072217473 /nfs/dbraw/zinc/21/74/73/1072217473.db2.gz QDRCOKKWNQBBSS-DJIMGWMZSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000419866919 1072217748 /nfs/dbraw/zinc/21/77/48/1072217748.db2.gz QDRCOKKWNQBBSS-HYVNUMGLSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000419866921 1072217559 /nfs/dbraw/zinc/21/75/59/1072217559.db2.gz QDRCOKKWNQBBSS-OIISXLGYSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000419866923 1072217525 /nfs/dbraw/zinc/21/75/25/1072217525.db2.gz QDRCOKKWNQBBSS-PVAVHDDUSA-N 1 0 393.532 -0.321 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000419867170 1072217552 /nfs/dbraw/zinc/21/75/52/1072217552.db2.gz BKSLZQUHZIGFRM-CYBMUJFWSA-N 1 0 393.875 -0.099 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000419867173 1072217436 /nfs/dbraw/zinc/21/74/36/1072217436.db2.gz BKSLZQUHZIGFRM-ZDUSSCGKSA-N 1 0 393.875 -0.099 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000419867343 1072216741 /nfs/dbraw/zinc/21/67/41/1072216741.db2.gz BPYZAFYNWCJBMB-HNNXBMFYSA-N 1 0 376.457 -0.174 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000419867348 1072217534 /nfs/dbraw/zinc/21/75/34/1072217534.db2.gz BPYZAFYNWCJBMB-OAHLLOKOSA-N 1 0 376.457 -0.174 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000419867363 1072217575 /nfs/dbraw/zinc/21/75/75/1072217575.db2.gz CMOCUPABPDFSPL-HNNXBMFYSA-N 1 0 376.457 -0.231 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000419867366 1072217593 /nfs/dbraw/zinc/21/75/93/1072217593.db2.gz CMOCUPABPDFSPL-OAHLLOKOSA-N 1 0 376.457 -0.231 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000419867394 1072217620 /nfs/dbraw/zinc/21/76/20/1072217620.db2.gz BQTUJAAOSDFBQM-UHFFFAOYSA-N 1 0 391.491 -0.119 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000419867430 1072217782 /nfs/dbraw/zinc/21/77/82/1072217782.db2.gz BRWJARXZOVVHEG-CYBMUJFWSA-N 1 0 390.440 -0.534 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000419867434 1072217448 /nfs/dbraw/zinc/21/74/48/1072217448.db2.gz BRWJARXZOVVHEG-ZDUSSCGKSA-N 1 0 390.440 -0.534 20 0 GBADRO COc1ccc(OCCN(C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419867483 1072217586 /nfs/dbraw/zinc/21/75/86/1072217586.db2.gz KZVFPZZXUNKCSH-UHFFFAOYSA-N 1 0 378.473 -0.056 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419867657 1072217496 /nfs/dbraw/zinc/21/74/96/1072217496.db2.gz AYVKRWOULVFQQI-BBWFWOEESA-N 1 0 388.468 -0.006 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419867658 1072217578 /nfs/dbraw/zinc/21/75/78/1072217578.db2.gz AYVKRWOULVFQQI-IKGGRYGDSA-N 1 0 388.468 -0.006 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419867660 1072217694 /nfs/dbraw/zinc/21/76/94/1072217694.db2.gz AYVKRWOULVFQQI-ULQDDVLXSA-N 1 0 388.468 -0.006 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419867662 1072217760 /nfs/dbraw/zinc/21/77/60/1072217760.db2.gz AYVKRWOULVFQQI-ZACQAIPSSA-N 1 0 388.468 -0.006 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419867746 1072217549 /nfs/dbraw/zinc/21/75/49/1072217549.db2.gz BAMLLMYPDUOQGB-CVEARBPZSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419867749 1072217732 /nfs/dbraw/zinc/21/77/32/1072217732.db2.gz BAMLLMYPDUOQGB-HOTGVXAUSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419867750 1072217555 /nfs/dbraw/zinc/21/75/55/1072217555.db2.gz BAMLLMYPDUOQGB-HZPDHXFCSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419867752 1072217500 /nfs/dbraw/zinc/21/75/00/1072217500.db2.gz BAMLLMYPDUOQGB-JKSUJKDBSA-N 1 0 381.521 -0.497 20 0 GBADRO COc1ccc2c(c1OC)CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)C2 ZINC000419868181 1072217570 /nfs/dbraw/zinc/21/75/70/1072217570.db2.gz LRMYIWNNKCPYMO-UHFFFAOYSA-N 1 0 376.457 -0.390 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419868240 1072217483 /nfs/dbraw/zinc/21/74/83/1072217483.db2.gz CDGABFLJPIUNNV-CYBMUJFWSA-N 1 0 396.469 -0.994 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419868248 1072217519 /nfs/dbraw/zinc/21/75/19/1072217519.db2.gz CDGABFLJPIUNNV-ZDUSSCGKSA-N 1 0 396.469 -0.994 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000419868538 1072218355 /nfs/dbraw/zinc/21/83/55/1072218355.db2.gz LYIAHBHNPUYGQL-UHFFFAOYSA-N 1 0 375.473 -0.102 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000419868542 1072218460 /nfs/dbraw/zinc/21/84/60/1072218460.db2.gz LYUIIBOYJKCGKM-UHFFFAOYSA-N 1 0 391.447 -0.869 20 0 GBADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419868602 1072218420 /nfs/dbraw/zinc/21/84/20/1072218420.db2.gz MBVUEFQUESUQDW-HNNXBMFYSA-N 1 0 378.473 -0.010 20 0 GBADRO COc1ccc(O[C@H](C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419868603 1072218597 /nfs/dbraw/zinc/21/85/97/1072218597.db2.gz MBVUEFQUESUQDW-OAHLLOKOSA-N 1 0 378.473 -0.010 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000419868646 1072218240 /nfs/dbraw/zinc/21/82/40/1072218240.db2.gz IDCSYJMNVORGJZ-UHFFFAOYSA-N 1 0 378.458 -0.222 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000419868693 1072218568 /nfs/dbraw/zinc/21/85/68/1072218568.db2.gz IFGUUNDNAITPTG-UHFFFAOYSA-N 1 0 378.429 -0.676 20 0 GBADRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cn1 ZINC000419868816 1072217680 /nfs/dbraw/zinc/21/76/80/1072217680.db2.gz MJFZPQUQBXEGPT-UHFFFAOYSA-N 1 0 376.505 -0.045 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419868879 1072218511 /nfs/dbraw/zinc/21/85/11/1072218511.db2.gz MNTBQDNJDWPRGH-UHFFFAOYSA-N 1 0 389.500 -0.639 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000419868885 1072218199 /nfs/dbraw/zinc/21/81/99/1072218199.db2.gz MOWQIOAFHPTKEO-UHFFFAOYSA-N 1 0 377.464 -0.509 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000419868984 1072217567 /nfs/dbraw/zinc/21/75/67/1072217567.db2.gz VXNHOMZGWFFQEP-AWEZNQCLSA-N 1 0 394.497 -0.089 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000419868986 1072217563 /nfs/dbraw/zinc/21/75/63/1072217563.db2.gz VXNHOMZGWFFQEP-CQSZACIVSA-N 1 0 394.497 -0.089 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000419869152 1072217589 /nfs/dbraw/zinc/21/75/89/1072217589.db2.gz CWKXOCLDBVFGBN-UHFFFAOYSA-N 1 0 376.505 -0.077 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC12CCCCC2 ZINC000419869257 1072217795 /nfs/dbraw/zinc/21/77/95/1072217795.db2.gz MSCRTNBICQBBLJ-UHFFFAOYSA-N 1 0 393.532 -0.209 20 0 GBADRO Cc1nc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)sc1C ZINC000419869274 1072217818 /nfs/dbraw/zinc/21/78/18/1072217818.db2.gz MTFSKFSHIDNLKD-UHFFFAOYSA-N 1 0 380.518 -0.570 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000419869280 1072217508 /nfs/dbraw/zinc/21/75/08/1072217508.db2.gz MUEZXABAUDYYCH-CYBMUJFWSA-N 1 0 379.427 -0.507 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000419869281 1072217643 /nfs/dbraw/zinc/21/76/43/1072217643.db2.gz MUEZXABAUDYYCH-ZDUSSCGKSA-N 1 0 379.427 -0.507 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000419869282 1072217673 /nfs/dbraw/zinc/21/76/73/1072217673.db2.gz MUFOXCHVEGZOSK-UHFFFAOYSA-N 1 0 376.457 -0.457 20 0 GBADRO COC(=O)c1cccc(CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419869305 1072217530 /nfs/dbraw/zinc/21/75/30/1072217530.db2.gz MYGVMCUDOKCXSY-UHFFFAOYSA-N 1 0 376.457 -0.457 20 0 GBADRO COc1cccc([C@@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CCO2)c1 ZINC000419869311 1072217458 /nfs/dbraw/zinc/21/74/58/1072217458.db2.gz NBAKZXWZPUBOKP-KRWDZBQOSA-N 1 0 376.457 -0.384 20 0 GBADRO COc1cccc([C@H]2CN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CCO2)c1 ZINC000419869312 1072217512 /nfs/dbraw/zinc/21/75/12/1072217512.db2.gz NBAKZXWZPUBOKP-QGZVFWFLSA-N 1 0 376.457 -0.384 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1F ZINC000419869350 1072217665 /nfs/dbraw/zinc/21/76/65/1072217665.db2.gz NJGWPOIUTYEWIO-UHFFFAOYSA-N 1 0 393.463 -0.608 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000419869509 1072218410 /nfs/dbraw/zinc/21/84/10/1072218410.db2.gz RPUKOSXHJCDVQK-CYBMUJFWSA-N 1 0 390.440 -0.534 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1OC ZINC000419869511 1072218558 /nfs/dbraw/zinc/21/85/58/1072218558.db2.gz RPUKOSXHJCDVQK-ZDUSSCGKSA-N 1 0 390.440 -0.534 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000419869578 1072218519 /nfs/dbraw/zinc/21/85/19/1072218519.db2.gz WKSFNLBSBLNOEE-HNNXBMFYSA-N 1 0 396.513 -0.152 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419869580 1072218206 /nfs/dbraw/zinc/21/82/06/1072218206.db2.gz WKSFNLBSBLNOEE-OAHLLOKOSA-N 1 0 396.513 -0.152 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000419869714 1072218475 /nfs/dbraw/zinc/21/84/75/1072218475.db2.gz JAHWBOOKXHHYLN-UHFFFAOYSA-N 1 0 378.473 -0.056 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000419869894 1072218225 /nfs/dbraw/zinc/21/82/25/1072218225.db2.gz NMHPQWHYONBXTR-IBGZPJMESA-N 1 0 394.903 -0.133 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000419869896 1072218586 /nfs/dbraw/zinc/21/85/86/1072218586.db2.gz NMHPQWHYONBXTR-LJQANCHMSA-N 1 0 394.903 -0.133 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419870058 1072218563 /nfs/dbraw/zinc/21/85/63/1072218563.db2.gz RSBXTZVRCLEMOK-KRWDZBQOSA-N 1 0 388.468 -0.238 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419870059 1072218536 /nfs/dbraw/zinc/21/85/36/1072218536.db2.gz RSBXTZVRCLEMOK-QGZVFWFLSA-N 1 0 388.468 -0.238 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CC1 ZINC000419870076 1072218164 /nfs/dbraw/zinc/21/81/64/1072218164.db2.gz RTXDXCRQUPYLGH-HNNXBMFYSA-N 1 0 392.481 -0.557 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CC1 ZINC000419870077 1072218371 /nfs/dbraw/zinc/21/83/71/1072218371.db2.gz RTXDXCRQUPYLGH-OAHLLOKOSA-N 1 0 392.481 -0.557 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419870213 1072218450 /nfs/dbraw/zinc/21/84/50/1072218450.db2.gz JHAAWVIJITWYGH-UHFFFAOYSA-N 1 0 386.449 -0.616 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419870238 1072218279 /nfs/dbraw/zinc/21/82/79/1072218279.db2.gz JHUQTVYEDANHNY-HOTGVXAUSA-N 1 0 381.521 -0.639 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419870240 1072218324 /nfs/dbraw/zinc/21/83/24/1072218324.db2.gz JHUQTVYEDANHNY-HZPDHXFCSA-N 1 0 381.521 -0.639 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419870242 1072218336 /nfs/dbraw/zinc/21/83/36/1072218336.db2.gz JHUQTVYEDANHNY-IYBDPMFKSA-N 1 0 381.521 -0.639 20 0 GBADRO Cc1cccc(CC2(O)CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000419870404 1072219306 /nfs/dbraw/zinc/21/93/06/1072219306.db2.gz OBUINZKUEYGHIL-UHFFFAOYSA-N 1 0 388.512 -0.088 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419870457 1072218502 /nfs/dbraw/zinc/21/85/02/1072218502.db2.gz OIGKKZFFDUGSFK-UHFFFAOYSA-N 1 0 392.456 -0.588 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000419870465 1072219214 /nfs/dbraw/zinc/21/92/14/1072219214.db2.gz OINVXDBAGKSZNJ-UHFFFAOYSA-N 1 0 379.427 -0.506 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000419870588 1072218214 /nfs/dbraw/zinc/21/82/14/1072218214.db2.gz OVOPVILLSOWMJT-INIZCTEOSA-N 1 0 377.489 -0.056 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000419870591 1072218247 /nfs/dbraw/zinc/21/82/47/1072218247.db2.gz OVOPVILLSOWMJT-MRXNPFEDSA-N 1 0 377.489 -0.056 20 0 GBADRO Cc1csc(NC2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)n1 ZINC000419870653 1072218267 /nfs/dbraw/zinc/21/82/67/1072218267.db2.gz PCOIUZKYNZHWBK-UHFFFAOYSA-N 1 0 380.518 -0.124 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)n1 ZINC000419870657 1072218440 /nfs/dbraw/zinc/21/84/40/1072218440.db2.gz SFEJCFSGYYTCNN-AWEZNQCLSA-N 1 0 376.461 -0.233 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)n1 ZINC000419870658 1072218431 /nfs/dbraw/zinc/21/84/31/1072218431.db2.gz SFEJCFSGYYTCNN-CQSZACIVSA-N 1 0 376.461 -0.233 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000419870690 1072218582 /nfs/dbraw/zinc/21/85/82/1072218582.db2.gz DKLWOAWBPFQKKX-UHFFFAOYSA-N 1 0 391.447 -0.982 20 0 GBADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000419870746 1072218157 /nfs/dbraw/zinc/21/81/57/1072218157.db2.gz DPKSCUXDMDULAI-UHFFFAOYSA-N 1 0 390.484 -0.348 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000419870792 1072218148 /nfs/dbraw/zinc/21/81/48/1072218148.db2.gz DQWOJTXYZYYCRY-CYBMUJFWSA-N 1 0 377.420 -0.614 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000419870794 1072218526 /nfs/dbraw/zinc/21/85/26/1072218526.db2.gz DQWOJTXYZYYCRY-ZDUSSCGKSA-N 1 0 377.420 -0.614 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000419870840 1072218292 /nfs/dbraw/zinc/21/82/92/1072218292.db2.gz DUIOFMLNNGJNRR-AWEZNQCLSA-N 1 0 390.440 -0.534 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000419870841 1072218400 /nfs/dbraw/zinc/21/84/00/1072218400.db2.gz DUIOFMLNNGJNRR-CQSZACIVSA-N 1 0 390.440 -0.534 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419870851 1072218604 /nfs/dbraw/zinc/21/86/04/1072218604.db2.gz DVIWDAINWRMQMA-OAGGEKHMSA-N 1 0 384.436 -0.359 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419870852 1072218191 /nfs/dbraw/zinc/21/81/91/1072218191.db2.gz DVIWDAINWRMQMA-XHSDSOJGSA-N 1 0 384.436 -0.359 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000419870953 1072218610 /nfs/dbraw/zinc/21/86/10/1072218610.db2.gz PCXHXYIXNIOTBA-UHFFFAOYSA-N 1 0 395.891 -0.403 20 0 GBADRO O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419871227 1072218230 /nfs/dbraw/zinc/21/82/30/1072218230.db2.gz PJRNGPFOZRKQID-UHFFFAOYSA-N 1 0 393.532 -0.351 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 ZINC000419871264 1072218468 /nfs/dbraw/zinc/21/84/68/1072218468.db2.gz CFCZTJLTGJFAPW-DLBZAZTESA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 ZINC000419871266 1072218344 /nfs/dbraw/zinc/21/83/44/1072218344.db2.gz CFCZTJLTGJFAPW-IAGOWNOFSA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 ZINC000419871267 1072218599 /nfs/dbraw/zinc/21/85/99/1072218599.db2.gz CFCZTJLTGJFAPW-IRXDYDNUSA-N 1 0 388.468 -0.101 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 ZINC000419871268 1072218170 /nfs/dbraw/zinc/21/81/70/1072218170.db2.gz CFCZTJLTGJFAPW-SJORKVTESA-N 1 0 388.468 -0.101 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1)C1CCCCC1 ZINC000419871391 1072218921 /nfs/dbraw/zinc/21/89/21/1072218921.db2.gz SSPMRQABSUOURD-KRWDZBQOSA-N 1 0 393.532 -0.225 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1)C1CCCCC1 ZINC000419871392 1072219321 /nfs/dbraw/zinc/21/93/21/1072219321.db2.gz SSPMRQABSUOURD-QGZVFWFLSA-N 1 0 393.532 -0.225 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000419871529 1072219154 /nfs/dbraw/zinc/21/91/54/1072219154.db2.gz KFYAPFXUTKNBQY-CYBMUJFWSA-N 1 0 379.436 -0.368 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000419871530 1072219299 /nfs/dbraw/zinc/21/92/99/1072219299.db2.gz KFYAPFXUTKNBQY-ZDUSSCGKSA-N 1 0 379.436 -0.368 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419871685 1072219284 /nfs/dbraw/zinc/21/92/84/1072219284.db2.gz KTAAYDGIBDOWLD-UHFFFAOYSA-N 1 0 381.521 -0.353 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000419871726 1072218974 /nfs/dbraw/zinc/21/89/74/1072218974.db2.gz PQUHNQHKLZQLAP-UHFFFAOYSA-N 1 0 391.447 -0.869 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)s1 ZINC000419871741 1072219309 /nfs/dbraw/zinc/21/93/09/1072219309.db2.gz PRLGEMJVHXZVFB-UHFFFAOYSA-N 1 0 393.513 -0.638 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000419871805 1072219094 /nfs/dbraw/zinc/21/90/94/1072219094.db2.gz QAHHIEPDVORWFR-UHFFFAOYSA-N 1 0 387.528 -0.215 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000419871810 1072218902 /nfs/dbraw/zinc/21/89/02/1072218902.db2.gz QANSNGCFAXWZGC-UHFFFAOYSA-N 1 0 379.530 -0.196 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000419871834 1072218997 /nfs/dbraw/zinc/21/89/97/1072218997.db2.gz QBFSDWYSSBIZPC-UHFFFAOYSA-N 1 0 397.417 -0.558 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419871855 1072218933 /nfs/dbraw/zinc/21/89/33/1072218933.db2.gz FAROJSFBFOHGHX-HNNXBMFYSA-N 1 0 380.470 -0.861 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419871860 1072219073 /nfs/dbraw/zinc/21/90/73/1072219073.db2.gz FAROJSFBFOHGHX-OAHLLOKOSA-N 1 0 380.470 -0.861 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419871885 1072219012 /nfs/dbraw/zinc/21/90/12/1072219012.db2.gz FAZUIBHKHIEHEL-AWEZNQCLSA-N 1 0 389.456 -0.744 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419871889 1072219110 /nfs/dbraw/zinc/21/91/10/1072219110.db2.gz FAZUIBHKHIEHEL-CQSZACIVSA-N 1 0 389.456 -0.744 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000419871921 1072219049 /nfs/dbraw/zinc/21/90/49/1072219049.db2.gz QLEWUZPCOHBJII-UHFFFAOYSA-N 1 0 382.468 -0.222 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000419871929 1072219279 /nfs/dbraw/zinc/21/92/79/1072219279.db2.gz FCSALNTZPIZKFF-UHFFFAOYSA-N 1 0 387.484 -0.699 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000419872033 1072218986 /nfs/dbraw/zinc/21/89/86/1072218986.db2.gz FFTQYYDAXQHFCX-GPANFISMSA-N 1 0 379.505 -0.696 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000419872036 1072219130 /nfs/dbraw/zinc/21/91/30/1072219130.db2.gz FFTQYYDAXQHFCX-UYSNPLJNSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419872142 1072219247 /nfs/dbraw/zinc/21/92/47/1072219247.db2.gz CRSIDOCEWJPOET-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419872143 1072219210 /nfs/dbraw/zinc/21/92/10/1072219210.db2.gz CRSIDOCEWJPOET-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419872144 1072219318 /nfs/dbraw/zinc/21/93/18/1072219318.db2.gz CRSIDOCEWJPOET-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419872145 1072219164 /nfs/dbraw/zinc/21/91/64/1072219164.db2.gz CRSIDOCEWJPOET-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000419872197 1072219024 /nfs/dbraw/zinc/21/90/24/1072219024.db2.gz LNJRGXUCONWZDJ-UHFFFAOYSA-N 1 0 393.532 -0.034 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419872270 1072219252 /nfs/dbraw/zinc/21/92/52/1072219252.db2.gz LCTQVRQGYQJQQB-HNNXBMFYSA-N 1 0 378.429 -0.397 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000419872272 1072219289 /nfs/dbraw/zinc/21/92/89/1072219289.db2.gz LCTQVRQGYQJQQB-OAHLLOKOSA-N 1 0 378.429 -0.397 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419872536 1072218946 /nfs/dbraw/zinc/21/89/46/1072218946.db2.gz QUKRNDVDZREQDH-INIZCTEOSA-N 1 0 389.500 -0.198 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419872547 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376.432 -0.093 20 0 GBADRO O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419878526 1072221560 /nfs/dbraw/zinc/22/15/60/1072221560.db2.gz JJQQCOVPHLCKRB-MRXNPFEDSA-N 1 0 376.432 -0.093 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000419878536 1072221618 /nfs/dbraw/zinc/22/16/18/1072221618.db2.gz JKNXLXIWZAPQTN-BZUAXINKSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000419878537 1072221614 /nfs/dbraw/zinc/22/16/14/1072221614.db2.gz JKNXLXIWZAPQTN-OAGGEKHMSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000419878539 1072221686 /nfs/dbraw/zinc/22/16/86/1072221686.db2.gz JKNXLXIWZAPQTN-OWCLPIDISA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000419878541 1072221711 /nfs/dbraw/zinc/22/17/11/1072221711.db2.gz JKNXLXIWZAPQTN-PMPSAXMXSA-N 1 0 379.505 -0.696 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000419878662 1072221590 /nfs/dbraw/zinc/22/15/90/1072221590.db2.gz YBOLXIOFNMKUOI-UHFFFAOYSA-N 1 0 387.484 -0.618 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000419878695 1072221718 /nfs/dbraw/zinc/22/17/18/1072221718.db2.gz YUTCDKRCULQMIE-INIZCTEOSA-N 1 0 391.447 -0.238 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000419878697 1072221395 /nfs/dbraw/zinc/22/13/95/1072221395.db2.gz YUTCDKRCULQMIE-MRXNPFEDSA-N 1 0 391.447 -0.238 20 0 GBADRO CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419878740 1072221414 /nfs/dbraw/zinc/22/14/14/1072221414.db2.gz YIAOUIDRWLCJCS-UHFFFAOYSA-N 1 0 382.505 -0.022 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000419878802 1072221493 /nfs/dbraw/zinc/22/14/93/1072221493.db2.gz YNBVLBQWKINBOS-UHFFFAOYSA-N 1 0 384.484 -0.058 20 0 GBADRO O=C(CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCCc2ccccc21 ZINC000419878808 1072221555 /nfs/dbraw/zinc/22/15/55/1072221555.db2.gz YNIYHEBSMJWSSI-UHFFFAOYSA-N 1 0 387.484 -0.507 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000419879126 1072221470 /nfs/dbraw/zinc/22/14/70/1072221470.db2.gz SOTAZNWHIPEIKF-UHFFFAOYSA-N 1 0 382.848 -0.275 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419879210 1072221744 /nfs/dbraw/zinc/22/17/44/1072221744.db2.gz JUAXOWQKXMZSMI-INIZCTEOSA-N 1 0 387.484 -0.190 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419879213 1072221679 /nfs/dbraw/zinc/22/16/79/1072221679.db2.gz JUAXOWQKXMZSMI-MRXNPFEDSA-N 1 0 387.484 -0.190 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419879319 1072221385 /nfs/dbraw/zinc/22/13/85/1072221385.db2.gz JYXLCVDKUGWOPV-HNNXBMFYSA-N 1 0 376.457 -0.304 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419879324 1072221640 /nfs/dbraw/zinc/22/16/40/1072221640.db2.gz JYXLCVDKUGWOPV-OAHLLOKOSA-N 1 0 376.457 -0.304 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000419879552 1072221490 /nfs/dbraw/zinc/22/14/90/1072221490.db2.gz ZCAQEDMFLDHRBK-INIZCTEOSA-N 1 0 387.484 -0.115 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000419879553 1072221357 /nfs/dbraw/zinc/22/13/57/1072221357.db2.gz ZCAQEDMFLDHRBK-MRXNPFEDSA-N 1 0 387.484 -0.115 20 0 GBADRO Cc1nc(N2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)sc1C ZINC000419879555 1072221738 /nfs/dbraw/zinc/22/17/38/1072221738.db2.gz ZCDINEJUBNFEMT-UHFFFAOYSA-N 1 0 394.545 -0.180 20 0 GBADRO COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419879558 1072221759 /nfs/dbraw/zinc/22/17/59/1072221759.db2.gz ZDNDZZVJHCCYKQ-AEFFLSMTSA-N 1 0 390.484 -0.259 20 0 GBADRO COc1cccc([C@H]2C[C@H](O)CN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419879559 1072221734 /nfs/dbraw/zinc/22/17/34/1072221734.db2.gz ZDNDZZVJHCCYKQ-FUHWJXTLSA-N 1 0 390.484 -0.259 20 0 GBADRO COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419879560 1072221694 /nfs/dbraw/zinc/22/16/94/1072221694.db2.gz ZDNDZZVJHCCYKQ-SJLPKXTDSA-N 1 0 390.484 -0.259 20 0 GBADRO COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419879561 1072221378 /nfs/dbraw/zinc/22/13/78/1072221378.db2.gz ZDNDZZVJHCCYKQ-WMZOPIPTSA-N 1 0 390.484 -0.259 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419879989 1072221749 /nfs/dbraw/zinc/22/17/49/1072221749.db2.gz KFGZCHDVYHWWMQ-CYBMUJFWSA-N 1 0 378.454 -0.932 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419879992 1072221343 /nfs/dbraw/zinc/22/13/43/1072221343.db2.gz KFGZCHDVYHWWMQ-ZDUSSCGKSA-N 1 0 378.454 -0.932 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000419880092 1072221418 /nfs/dbraw/zinc/22/14/18/1072221418.db2.gz ZVAXYJGOMOGZKM-UHFFFAOYSA-N 1 0 379.436 -0.917 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419880167 1072221549 /nfs/dbraw/zinc/22/15/49/1072221549.db2.gz UKPFFQHPTNQYSX-UHFFFAOYSA-N 1 0 382.486 -0.446 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419880413 1072222377 /nfs/dbraw/zinc/22/23/77/1072222377.db2.gz UPSRDEKSPHCOGI-UHFFFAOYSA-N 1 0 386.449 -0.616 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000419880512 1072221405 /nfs/dbraw/zinc/22/14/05/1072221405.db2.gz KOAOYWRVXKOGBX-AWEZNQCLSA-N 1 0 375.429 -0.615 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000419880513 1072221670 /nfs/dbraw/zinc/22/16/70/1072221670.db2.gz KOAOYWRVXKOGBX-CQSZACIVSA-N 1 0 375.429 -0.615 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419880637 1072221568 /nfs/dbraw/zinc/22/15/68/1072221568.db2.gz KWVKHJUCXMBCMA-INIZCTEOSA-N 1 0 387.484 -0.136 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419880639 1072222308 /nfs/dbraw/zinc/22/23/08/1072222308.db2.gz KWVKHJUCXMBCMA-MRXNPFEDSA-N 1 0 387.484 -0.136 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419880682 1072221480 /nfs/dbraw/zinc/22/14/80/1072221480.db2.gz AEUVSDIFAFOUBP-HOTGVXAUSA-N 1 0 384.521 -0.171 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419880683 1072221428 /nfs/dbraw/zinc/22/14/28/1072221428.db2.gz AEUVSDIFAFOUBP-HZPDHXFCSA-N 1 0 384.521 -0.171 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419880685 1072221599 /nfs/dbraw/zinc/22/15/99/1072221599.db2.gz AEUVSDIFAFOUBP-IYBDPMFKSA-N 1 0 384.521 -0.171 20 0 GBADRO COc1cc(C)c(CN(C)C(=O)C(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000419880688 1072221518 /nfs/dbraw/zinc/22/15/18/1072221518.db2.gz KYTLVBLWPBUBIE-UHFFFAOYSA-N 1 0 378.473 -0.008 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000419881011 1072221451 /nfs/dbraw/zinc/22/14/51/1072221451.db2.gz VXAUCLUGJYPANF-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000419881235 1072221441 /nfs/dbraw/zinc/22/14/41/1072221441.db2.gz LHDLCQUSBMAFHO-INIZCTEOSA-N 1 0 385.468 -0.802 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000419881243 1072221512 /nfs/dbraw/zinc/22/15/12/1072221512.db2.gz LHDLCQUSBMAFHO-MRXNPFEDSA-N 1 0 385.468 -0.802 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000419881261 1072221573 /nfs/dbraw/zinc/22/15/73/1072221573.db2.gz AZCAKLZGUKQJCQ-UHFFFAOYSA-N 1 0 383.474 -0.306 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 ZINC000419881558 1072222392 /nfs/dbraw/zinc/22/23/92/1072222392.db2.gz HXUWARFMGKWPFG-COXVUDFISA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000419881565 1072222089 /nfs/dbraw/zinc/22/20/89/1072222089.db2.gz HXUWARFMGKWPFG-JQFCIGGWSA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000419881571 1072222494 /nfs/dbraw/zinc/22/24/94/1072222494.db2.gz HXUWARFMGKWPFG-RRQGHBQHSA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 ZINC000419881576 1072222167 /nfs/dbraw/zinc/22/21/67/1072222167.db2.gz HXUWARFMGKWPFG-XOKHGSTOSA-N 1 0 388.468 -0.054 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000419881587 1072222434 /nfs/dbraw/zinc/22/24/34/1072222434.db2.gz WNIFGUSAFVDHDH-UHFFFAOYSA-N 1 0 376.457 -0.366 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419881620 530350029 /nfs/dbraw/zinc/35/00/29/530350029.db2.gz WPROUEXPWGGVOM-UHFFFAOYSA-N 1 0 394.906 -0.430 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419881896 1072222133 /nfs/dbraw/zinc/22/21/33/1072222133.db2.gz BQCKXKCWDQXBOE-CVEARBPZSA-N 1 0 386.452 -0.112 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)NCC[NH2+]C)CC2)nc1 ZINC000419881938 1072222471 /nfs/dbraw/zinc/22/24/71/1072222471.db2.gz XAAJUCHYCFEJFN-UHFFFAOYSA-N 1 0 377.445 -0.367 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000419882333 1072222243 /nfs/dbraw/zinc/22/22/43/1072222243.db2.gz XJCNGRFUZJDSSC-UHFFFAOYSA-N 1 0 387.484 -0.554 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000419882481 1072222401 /nfs/dbraw/zinc/22/24/01/1072222401.db2.gz CJUBUKPFQPCDOB-UHFFFAOYSA-N 1 0 376.457 -0.018 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419882539 1072222488 /nfs/dbraw/zinc/22/24/88/1072222488.db2.gz CLRAQOHBLUQKQB-UHFFFAOYSA-N 1 0 380.420 -0.399 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC[NH2+]C)CC2)cc1 ZINC000419882554 1072222205 /nfs/dbraw/zinc/22/22/05/1072222205.db2.gz XYESDVKHVWFRNA-UHFFFAOYSA-N 1 0 396.513 -0.192 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)nc2ccccc12 ZINC000419882739 1072222443 /nfs/dbraw/zinc/22/24/43/1072222443.db2.gz MJPJRBGXRVCBQE-CYBMUJFWSA-N 1 0 383.456 -0.666 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)nc2ccccc12 ZINC000419882742 1072222045 /nfs/dbraw/zinc/22/20/45/1072222045.db2.gz MJPJRBGXRVCBQE-ZDUSSCGKSA-N 1 0 383.456 -0.666 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419883028 1072222344 /nfs/dbraw/zinc/22/23/44/1072222344.db2.gz YHLSLQPIKKCZCC-HNNXBMFYSA-N 1 0 394.497 -0.295 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419883031 1072222368 /nfs/dbraw/zinc/22/23/68/1072222368.db2.gz YHLSLQPIKKCZCC-OAHLLOKOSA-N 1 0 394.497 -0.295 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000419883079 1072222102 /nfs/dbraw/zinc/22/21/02/1072222102.db2.gz YOMGRZGRCQAECT-UHFFFAOYSA-N 1 0 396.513 -0.138 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000419883245 1072222315 /nfs/dbraw/zinc/22/23/15/1072222315.db2.gz MSLYUAVMBZVGKA-HNNXBMFYSA-N 1 0 393.875 -0.099 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000419883248 1072222555 /nfs/dbraw/zinc/22/25/55/1072222555.db2.gz MSLYUAVMBZVGKA-OAHLLOKOSA-N 1 0 393.875 -0.099 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419883492 1072222285 /nfs/dbraw/zinc/22/22/85/1072222285.db2.gz DMFJFZAVQAGSGM-UHFFFAOYSA-N 1 0 393.463 -0.575 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000419883514 1072222385 /nfs/dbraw/zinc/22/23/85/1072222385.db2.gz DMXCNNPOUGIHNG-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000419883736 1072222256 /nfs/dbraw/zinc/22/22/56/1072222256.db2.gz ZRFXDSHLLALNRR-UHFFFAOYSA-N 1 0 375.473 -0.278 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000419883971 1072222528 /nfs/dbraw/zinc/22/25/28/1072222528.db2.gz NHZVFIDXLTVDOE-UHFFFAOYSA-N 1 0 390.484 -0.296 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419884117 1072198314 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CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000419888732 1072223173 /nfs/dbraw/zinc/22/31/73/1072223173.db2.gz RQDYYNMHRAZQPN-LLVKDONJSA-N 1 0 381.458 -0.554 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)s1 ZINC000419888735 1072223207 /nfs/dbraw/zinc/22/32/07/1072223207.db2.gz RQDYYNMHRAZQPN-NSHDSACASA-N 1 0 381.458 -0.554 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419889051 1072223070 /nfs/dbraw/zinc/22/30/70/1072223070.db2.gz KPEFAGQFPONTNX-CYBMUJFWSA-N 1 0 388.424 -0.764 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419889052 1072222992 /nfs/dbraw/zinc/22/29/92/1072222992.db2.gz KPEFAGQFPONTNX-ZDUSSCGKSA-N 1 0 388.424 -0.764 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419889085 1072223213 /nfs/dbraw/zinc/22/32/13/1072223213.db2.gz KSMUMXKNKHYGNA-UHFFFAOYSA-N 1 0 382.486 -0.365 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419889600 1072223801 /nfs/dbraw/zinc/22/38/01/1072223801.db2.gz LHEAXADCMPRDGT-UHFFFAOYSA-N 1 0 376.413 -0.575 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000419889637 1072223644 /nfs/dbraw/zinc/22/36/44/1072223644.db2.gz HJRPLYNSYPSVPU-INIZCTEOSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000419889638 1072223914 /nfs/dbraw/zinc/22/39/14/1072223914.db2.gz HJRPLYNSYPSVPU-MRXNPFEDSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419889712 1072223865 /nfs/dbraw/zinc/22/38/65/1072223865.db2.gz HPRKINBFYULWDF-HNNXBMFYSA-N 1 0 376.432 -0.093 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419889714 1072223841 /nfs/dbraw/zinc/22/38/41/1072223841.db2.gz HPRKINBFYULWDF-OAHLLOKOSA-N 1 0 376.432 -0.093 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000419889920 1072223886 /nfs/dbraw/zinc/22/38/86/1072223886.db2.gz LJMVQUGKJXAOGF-UHFFFAOYSA-N 1 0 392.456 -0.286 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCOCCO)cc1 ZINC000419890066 1072222894 /nfs/dbraw/zinc/22/28/94/1072222894.db2.gz MQBOJSQJMVEUDI-DLBZAZTESA-N 1 0 379.457 -0.276 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCOCCO)cc1 ZINC000419890067 1072223038 /nfs/dbraw/zinc/22/30/38/1072223038.db2.gz MQBOJSQJMVEUDI-IAGOWNOFSA-N 1 0 379.457 -0.276 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCOCCO)cc1 ZINC000419890068 1072223764 /nfs/dbraw/zinc/22/37/64/1072223764.db2.gz MQBOJSQJMVEUDI-IRXDYDNUSA-N 1 0 379.457 -0.276 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCOCCO)cc1 ZINC000419890069 1072223739 /nfs/dbraw/zinc/22/37/39/1072223739.db2.gz MQBOJSQJMVEUDI-SJORKVTESA-N 1 0 379.457 -0.276 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000419890070 1072223834 /nfs/dbraw/zinc/22/38/34/1072223834.db2.gz MQFHENKSMYHKHG-KBPBESRZSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000419890071 1072223862 /nfs/dbraw/zinc/22/38/62/1072223862.db2.gz MQFHENKSMYHKHG-KGLIPLIRSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000419890072 1072223920 /nfs/dbraw/zinc/22/39/20/1072223920.db2.gz MQFHENKSMYHKHG-UONOGXRCSA-N 1 0 376.461 -0.362 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000419890074 1072223670 /nfs/dbraw/zinc/22/36/70/1072223670.db2.gz MQFHENKSMYHKHG-ZIAGYGMSSA-N 1 0 376.461 -0.362 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000419890266 1072223266 /nfs/dbraw/zinc/22/32/66/1072223266.db2.gz HVWBBSIWICRVFA-UHFFFAOYSA-N 1 0 396.469 -0.942 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419890275 1072222908 /nfs/dbraw/zinc/22/29/08/1072222908.db2.gz HWZIFQOPITXSMD-UHFFFAOYSA-N 1 0 375.473 -0.333 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419890430 1072223887 /nfs/dbraw/zinc/22/38/87/1072223887.db2.gz STWBSOAEFVLBDY-KBPBESRZSA-N 1 0 398.460 -0.427 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419890434 1072223756 /nfs/dbraw/zinc/22/37/56/1072223756.db2.gz STWBSOAEFVLBDY-KGLIPLIRSA-N 1 0 398.460 -0.427 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419890437 1072223898 /nfs/dbraw/zinc/22/38/98/1072223898.db2.gz STWBSOAEFVLBDY-UONOGXRCSA-N 1 0 398.460 -0.427 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000419890440 1072223859 /nfs/dbraw/zinc/22/38/59/1072223859.db2.gz STWBSOAEFVLBDY-ZIAGYGMSSA-N 1 0 398.460 -0.427 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000419890464 1072223795 /nfs/dbraw/zinc/22/37/95/1072223795.db2.gz SWKXGWKVMCEISA-HNNXBMFYSA-N 1 0 377.420 -0.614 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000419890467 1072223916 /nfs/dbraw/zinc/22/39/16/1072223916.db2.gz SWKXGWKVMCEISA-OAHLLOKOSA-N 1 0 377.420 -0.614 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419890533 1072223809 /nfs/dbraw/zinc/22/38/09/1072223809.db2.gz TUXBNILEZFRNHS-INIZCTEOSA-N 1 0 388.468 -0.223 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419890535 1072223855 /nfs/dbraw/zinc/22/38/55/1072223855.db2.gz TUXBNILEZFRNHS-MRXNPFEDSA-N 1 0 388.468 -0.223 20 0 GBADRO Cc1nc(CN2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cs1 ZINC000419890549 1072223922 /nfs/dbraw/zinc/22/39/22/1072223922.db2.gz TVFFFPTVNXWYPB-UHFFFAOYSA-N 1 0 380.518 -0.883 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419890897 1072223894 /nfs/dbraw/zinc/22/38/94/1072223894.db2.gz IXFOJTBZVSBLNY-HNNXBMFYSA-N 1 0 394.497 -0.304 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419890899 1072223778 /nfs/dbraw/zinc/22/37/78/1072223778.db2.gz IXFOJTBZVSBLNY-OAHLLOKOSA-N 1 0 394.497 -0.304 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419891136 1072223895 /nfs/dbraw/zinc/22/38/95/1072223895.db2.gz UBFKEBXIPMYXJE-AWEZNQCLSA-N 1 0 380.470 -0.612 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419891137 1072223837 /nfs/dbraw/zinc/22/38/37/1072223837.db2.gz UBFKEBXIPMYXJE-CQSZACIVSA-N 1 0 380.470 -0.612 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419891160 1072223869 /nfs/dbraw/zinc/22/38/69/1072223869.db2.gz UDRXPTYAWQLNCK-CVEARBPZSA-N 1 0 388.468 -0.089 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419891161 1072223746 /nfs/dbraw/zinc/22/37/46/1072223746.db2.gz UDRXPTYAWQLNCK-HOTGVXAUSA-N 1 0 388.468 -0.089 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419891162 1072223871 /nfs/dbraw/zinc/22/38/71/1072223871.db2.gz UDRXPTYAWQLNCK-HZPDHXFCSA-N 1 0 388.468 -0.089 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419891163 1072223617 /nfs/dbraw/zinc/22/36/17/1072223617.db2.gz UDRXPTYAWQLNCK-JKSUJKDBSA-N 1 0 388.468 -0.089 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)ccc1F ZINC000419891190 1072223771 /nfs/dbraw/zinc/22/37/71/1072223771.db2.gz UIRYZKDRPXJEJU-UHFFFAOYSA-N 1 0 393.463 -0.496 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419891193 1072223822 /nfs/dbraw/zinc/22/38/22/1072223822.db2.gz UJNNADDWZMFNFI-AWEZNQCLSA-N 1 0 390.440 -0.534 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419891194 1072223902 /nfs/dbraw/zinc/22/39/02/1072223902.db2.gz UJNNADDWZMFNFI-CQSZACIVSA-N 1 0 390.440 -0.534 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000419891199 1072223912 /nfs/dbraw/zinc/22/39/12/1072223912.db2.gz IIARNKBPTZSNNU-UHFFFAOYSA-N 1 0 381.864 -0.242 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419891433 1072223852 /nfs/dbraw/zinc/22/38/52/1072223852.db2.gz JOBBZYMVAFKGRF-JCYILVPMSA-N 1 0 393.532 -0.306 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419891434 1072223876 /nfs/dbraw/zinc/22/38/76/1072223876.db2.gz JOBBZYMVAFKGRF-OFLPRAFFSA-N 1 0 393.532 -0.306 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000419891630 1072223874 /nfs/dbraw/zinc/22/38/74/1072223874.db2.gz NJUYJWVCXRRISB-UHFFFAOYSA-N 1 0 377.445 -0.367 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)Nc1ccc(F)cc1 ZINC000419891741 1072224254 /nfs/dbraw/zinc/22/42/54/1072224254.db2.gz KDNQXWLZDHEOEK-INIZCTEOSA-N 1 0 391.447 -0.223 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)Nc1ccc(F)cc1 ZINC000419891742 1072224265 /nfs/dbraw/zinc/22/42/65/1072224265.db2.gz KDNQXWLZDHEOEK-MRXNPFEDSA-N 1 0 391.447 -0.223 20 0 GBADRO CNC(=O)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419891803 1072224498 /nfs/dbraw/zinc/22/44/98/1072224498.db2.gz NPLUDQOAOJBMDL-CVEARBPZSA-N 1 0 376.457 -0.149 20 0 GBADRO CNC(=O)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419891805 1072224644 /nfs/dbraw/zinc/22/46/44/1072224644.db2.gz NPLUDQOAOJBMDL-HOTGVXAUSA-N 1 0 376.457 -0.149 20 0 GBADRO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419891807 1072224594 /nfs/dbraw/zinc/22/45/94/1072224594.db2.gz NPLUDQOAOJBMDL-HZPDHXFCSA-N 1 0 376.457 -0.149 20 0 GBADRO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419891809 1072224510 /nfs/dbraw/zinc/22/45/10/1072224510.db2.gz NPLUDQOAOJBMDL-JKSUJKDBSA-N 1 0 376.457 -0.149 20 0 GBADRO CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419891910 1072223881 /nfs/dbraw/zinc/22/38/81/1072223881.db2.gz UKLQCEKPRSVZGW-HNNXBMFYSA-N 1 0 390.488 -0.851 20 0 GBADRO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419891911 1072224352 /nfs/dbraw/zinc/22/43/52/1072224352.db2.gz UKLQCEKPRSVZGW-OAHLLOKOSA-N 1 0 390.488 -0.851 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000419891926 1072224337 /nfs/dbraw/zinc/22/43/37/1072224337.db2.gz ULJPCOOWNISPFX-GFCCVEGCSA-N 1 0 390.469 -0.080 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000419891927 1072224388 /nfs/dbraw/zinc/22/43/88/1072224388.db2.gz ULJPCOOWNISPFX-LBPRGKRZSA-N 1 0 390.469 -0.080 20 0 GBADRO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419891952 1072224610 /nfs/dbraw/zinc/22/46/10/1072224610.db2.gz UNOABJVYPYTCOP-AWEZNQCLSA-N 1 0 394.859 -0.132 20 0 GBADRO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419891953 1072224417 /nfs/dbraw/zinc/22/44/17/1072224417.db2.gz UNOABJVYPYTCOP-CQSZACIVSA-N 1 0 394.859 -0.132 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419892329 1072223816 /nfs/dbraw/zinc/22/38/16/1072223816.db2.gz KXURSYIWTYBBPC-AWEZNQCLSA-N 1 0 380.470 -0.612 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419892331 1072223926 /nfs/dbraw/zinc/22/39/26/1072223926.db2.gz KXURSYIWTYBBPC-CQSZACIVSA-N 1 0 380.470 -0.612 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419892577 1072224394 /nfs/dbraw/zinc/22/43/94/1072224394.db2.gz LDSKORUPHFHLAM-AEFFLSMTSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419892578 1072224294 /nfs/dbraw/zinc/22/42/94/1072224294.db2.gz LDSKORUPHFHLAM-FUHWJXTLSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419892579 1072224618 /nfs/dbraw/zinc/22/46/18/1072224618.db2.gz LDSKORUPHFHLAM-SJLPKXTDSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419892580 1072224650 /nfs/dbraw/zinc/22/46/50/1072224650.db2.gz LDSKORUPHFHLAM-WMZOPIPTSA-N 1 0 399.495 -0.196 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)n1 ZINC000419892774 1072224424 /nfs/dbraw/zinc/22/44/24/1072224424.db2.gz UVKLHXVTTXEDPQ-UHFFFAOYSA-N 1 0 390.488 -0.850 20 0 GBADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000419892780 1072199382 /nfs/dbraw/zinc/19/93/82/1072199382.db2.gz JVBASPYCNVNBJM-DOTOQJQBSA-N 1 0 393.532 -0.034 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000419892782 1072199391 /nfs/dbraw/zinc/19/93/91/1072199391.db2.gz JVBASPYCNVNBJM-NVXWUHKLSA-N 1 0 393.532 -0.034 20 0 GBADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000419892785 1072199492 /nfs/dbraw/zinc/19/94/92/1072199492.db2.gz JVBASPYCNVNBJM-RDJZCZTQSA-N 1 0 393.532 -0.034 20 0 GBADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000419892787 1072199497 /nfs/dbraw/zinc/19/94/97/1072199497.db2.gz JVBASPYCNVNBJM-WBVHZDCISA-N 1 0 393.532 -0.034 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)N1CCc2ccccc21 ZINC000419892873 1072224490 /nfs/dbraw/zinc/22/44/90/1072224490.db2.gz OVTZNONTKMDBOO-KRWDZBQOSA-N 1 0 399.495 -0.412 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)N1CCc2ccccc21 ZINC000419892874 1072224384 /nfs/dbraw/zinc/22/43/84/1072224384.db2.gz OVTZNONTKMDBOO-QGZVFWFLSA-N 1 0 399.495 -0.412 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419892879 1072224366 /nfs/dbraw/zinc/22/43/66/1072224366.db2.gz OVVYUQDPZYUQQK-INIZCTEOSA-N 1 0 394.497 -0.471 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419892880 1072224398 /nfs/dbraw/zinc/22/43/98/1072224398.db2.gz OVVYUQDPZYUQQK-MRXNPFEDSA-N 1 0 394.497 -0.471 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000419892891 1072224440 /nfs/dbraw/zinc/22/44/40/1072224440.db2.gz OYFZQPNMFRHWPQ-AWEZNQCLSA-N 1 0 380.470 -0.337 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000419892892 1072224411 /nfs/dbraw/zinc/22/44/11/1072224411.db2.gz OYFZQPNMFRHWPQ-CQSZACIVSA-N 1 0 380.470 -0.337 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419892934 1072224403 /nfs/dbraw/zinc/22/44/03/1072224403.db2.gz PDQYODDQSFGNEZ-UHFFFAOYSA-N 1 0 381.521 -0.449 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000419892939 1072224578 /nfs/dbraw/zinc/22/45/78/1072224578.db2.gz OEULOEDDCCSQRU-MGHWNKPDSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000419892943 1072224600 /nfs/dbraw/zinc/22/46/00/1072224600.db2.gz OEULOEDDCCSQRU-NBMRYCAZSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000419892944 1072224558 /nfs/dbraw/zinc/22/45/58/1072224558.db2.gz OEULOEDDCCSQRU-QCSYZSNVSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000419892946 1072224375 /nfs/dbraw/zinc/22/43/75/1072224375.db2.gz OEULOEDDCCSQRU-ZSGPHXLJSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000419893081 1072224345 /nfs/dbraw/zinc/22/43/45/1072224345.db2.gz LOYGEOIODSXYNY-INIZCTEOSA-N 1 0 388.468 -0.223 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419893082 1072224633 /nfs/dbraw/zinc/22/46/33/1072224633.db2.gz LOYGEOIODSXYNY-MRXNPFEDSA-N 1 0 388.468 -0.223 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419893160 1072199481 /nfs/dbraw/zinc/19/94/81/1072199481.db2.gz JYEIAVJBKIQNBT-ARFHVFGLSA-N 1 0 397.520 -0.942 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419893162 1072199465 /nfs/dbraw/zinc/19/94/65/1072199465.db2.gz JYEIAVJBKIQNBT-HRCADAONSA-N 1 0 397.520 -0.942 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419893164 1072198918 /nfs/dbraw/zinc/19/89/18/1072198918.db2.gz JYEIAVJBKIQNBT-JYJNAYRXSA-N 1 0 397.520 -0.942 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419893166 1072199258 /nfs/dbraw/zinc/19/92/58/1072199258.db2.gz JYEIAVJBKIQNBT-XHSDSOJGSA-N 1 0 397.520 -0.942 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000419893400 1072224305 /nfs/dbraw/zinc/22/43/05/1072224305.db2.gz VLHZNIGCCMMISN-HNNXBMFYSA-N 1 0 394.497 -0.386 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000419893404 1072224369 /nfs/dbraw/zinc/22/43/69/1072224369.db2.gz VLHZNIGCCMMISN-OAHLLOKOSA-N 1 0 394.497 -0.386 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419893430 1072224536 /nfs/dbraw/zinc/22/45/36/1072224536.db2.gz VMEUINQSTNEGFN-CYBMUJFWSA-N 1 0 384.433 -0.863 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419893431 1072224571 /nfs/dbraw/zinc/22/45/71/1072224571.db2.gz VMEUINQSTNEGFN-ZDUSSCGKSA-N 1 0 384.433 -0.863 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)NCC[NH2+]C)CC2)cc1 ZINC000419894027 1072224273 /nfs/dbraw/zinc/22/42/73/1072224273.db2.gz KYHLVTQTZIXFQT-UHFFFAOYSA-N 1 0 391.472 -0.496 20 0 GBADRO CCc1ccc(CN2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)s1 ZINC000419894131 1072224584 /nfs/dbraw/zinc/22/45/84/1072224584.db2.gz WDLLYVHQYGWLNL-UHFFFAOYSA-N 1 0 393.557 -0.024 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419894136 1072224467 /nfs/dbraw/zinc/22/44/67/1072224467.db2.gz WDXFMTKAPBUWES-DOTOQJQBSA-N 1 0 385.468 -0.586 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419894137 1072224283 /nfs/dbraw/zinc/22/42/83/1072224283.db2.gz WDXFMTKAPBUWES-NVXWUHKLSA-N 1 0 385.468 -0.586 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419894138 1072224565 /nfs/dbraw/zinc/22/45/65/1072224565.db2.gz WDXFMTKAPBUWES-RDJZCZTQSA-N 1 0 385.468 -0.586 20 0 GBADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419894139 1072224473 /nfs/dbraw/zinc/22/44/73/1072224473.db2.gz WDXFMTKAPBUWES-WBVHZDCISA-N 1 0 385.468 -0.586 20 0 GBADRO CNC(=O)NC1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419894288 1072224357 /nfs/dbraw/zinc/22/43/57/1072224357.db2.gz OTOCKRCXKNVJCY-CVEARBPZSA-N 1 0 389.456 -0.603 20 0 GBADRO CNC(=O)NC1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419894292 1072224461 /nfs/dbraw/zinc/22/44/61/1072224461.db2.gz OTOCKRCXKNVJCY-HOTGVXAUSA-N 1 0 389.456 -0.603 20 0 GBADRO CNC(=O)NC1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419894295 1072224625 /nfs/dbraw/zinc/22/46/25/1072224625.db2.gz OTOCKRCXKNVJCY-HZPDHXFCSA-N 1 0 389.456 -0.603 20 0 GBADRO CNC(=O)NC1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419894298 1072224448 /nfs/dbraw/zinc/22/44/48/1072224448.db2.gz OTOCKRCXKNVJCY-JKSUJKDBSA-N 1 0 389.456 -0.603 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000419894407 1072224899 /nfs/dbraw/zinc/22/48/99/1072224899.db2.gz LEHFNZMOXYJFRA-UHFFFAOYSA-N 1 0 394.497 -0.656 20 0 GBADRO CCOc1ccccc1N1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419894684 1072224546 /nfs/dbraw/zinc/22/45/46/1072224546.db2.gz WGUGYERUMBKPPY-UHFFFAOYSA-N 1 0 389.500 -0.245 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000419894761 1072224314 /nfs/dbraw/zinc/22/43/14/1072224314.db2.gz WLJPVMBDIMTAMR-HNNXBMFYSA-N 1 0 379.505 -0.600 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000419894764 1072225257 /nfs/dbraw/zinc/22/52/57/1072225257.db2.gz WLJPVMBDIMTAMR-OAHLLOKOSA-N 1 0 379.505 -0.600 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000419895158 530350251 /nfs/dbraw/zinc/35/02/51/530350251.db2.gz LYPXXLMKUUJGFR-UHFFFAOYSA-N 1 0 388.877 -0.492 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000419895219 1072224527 /nfs/dbraw/zinc/22/45/27/1072224527.db2.gz MECWUGGCDDOIHY-UHFFFAOYSA-N 1 0 375.473 -0.278 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000419895380 1072225454 /nfs/dbraw/zinc/22/54/54/1072225454.db2.gz WXOIVVDDLDOXDK-UHFFFAOYSA-N 1 0 381.427 -0.365 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000419895404 1072224956 /nfs/dbraw/zinc/22/49/56/1072224956.db2.gz WZAKMIYGDNWETJ-UHFFFAOYSA-N 1 0 380.880 -0.595 20 0 GBADRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419896045 1072225035 /nfs/dbraw/zinc/22/50/35/1072225035.db2.gz XPKVPPYHTKPPFV-HNNXBMFYSA-N 1 0 376.457 -0.304 20 0 GBADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419896046 1072225469 /nfs/dbraw/zinc/22/54/69/1072225469.db2.gz XPKVPPYHTKPPFV-OAHLLOKOSA-N 1 0 376.457 -0.304 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419896250 1072224923 /nfs/dbraw/zinc/22/49/23/1072224923.db2.gz UGMQIVYOZZRHEV-UHFFFAOYSA-N 1 0 387.484 -0.554 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000419896473 1072225268 /nfs/dbraw/zinc/22/52/68/1072225268.db2.gz NKWUMMWOZOGECA-UHFFFAOYSA-N 1 0 376.457 -0.366 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000419896871 1072224963 /nfs/dbraw/zinc/22/49/63/1072224963.db2.gz QHSRXWPXHDLVHN-MHORFTMASA-N 1 0 389.452 -0.117 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000419896873 1072225043 /nfs/dbraw/zinc/22/50/43/1072225043.db2.gz QHSRXWPXHDLVHN-XDNAFOTISA-N 1 0 389.452 -0.117 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000419896876 1072225057 /nfs/dbraw/zinc/22/50/57/1072225057.db2.gz QHSRXWPXHDLVHN-XMTFNYHQSA-N 1 0 389.452 -0.117 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000419896879 1072225143 /nfs/dbraw/zinc/22/51/43/1072225143.db2.gz QHSRXWPXHDLVHN-XWTMOSNGSA-N 1 0 389.452 -0.117 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000419896951 1072225462 /nfs/dbraw/zinc/22/54/62/1072225462.db2.gz YJVCXDQLKPSOJX-BBRMVZONSA-N 1 0 382.411 -0.380 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000419896953 1072225082 /nfs/dbraw/zinc/22/50/82/1072225082.db2.gz YJVCXDQLKPSOJX-CJNGLKHVSA-N 1 0 382.411 -0.380 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000419896955 1072225476 /nfs/dbraw/zinc/22/54/76/1072225476.db2.gz YJVCXDQLKPSOJX-CZUORRHYSA-N 1 0 382.411 -0.380 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000419896957 1072225125 /nfs/dbraw/zinc/22/51/25/1072225125.db2.gz YJVCXDQLKPSOJX-XJKSGUPXSA-N 1 0 382.411 -0.380 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)NCc1ccccc1 ZINC000419897071 1072225022 /nfs/dbraw/zinc/22/50/22/1072225022.db2.gz VKKBDLCRLXFUQD-KRWDZBQOSA-N 1 0 387.484 -0.685 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)NCc1ccccc1 ZINC000419897073 1072225241 /nfs/dbraw/zinc/22/52/41/1072225241.db2.gz VKKBDLCRLXFUQD-QGZVFWFLSA-N 1 0 387.484 -0.685 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000419897271 530349991 /nfs/dbraw/zinc/34/99/91/530349991.db2.gz VMOKSQDEBCYJSJ-UHFFFAOYSA-N 1 0 380.396 -0.069 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419897313 1072224891 /nfs/dbraw/zinc/22/48/91/1072224891.db2.gz VQRMGZGRIVUTQA-CABCVRRESA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419897315 1072225110 /nfs/dbraw/zinc/22/51/10/1072225110.db2.gz VQRMGZGRIVUTQA-GJZGRUSLSA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419897317 1072225347 /nfs/dbraw/zinc/22/53/47/1072225347.db2.gz VQRMGZGRIVUTQA-HUUCEWRRSA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419897319 1072224952 /nfs/dbraw/zinc/22/49/52/1072224952.db2.gz VQRMGZGRIVUTQA-LSDHHAIUSA-N 1 0 386.518 -0.292 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897331 1072225409 /nfs/dbraw/zinc/22/54/09/1072225409.db2.gz VSBAVYYDVUXZPF-BBWFWOEESA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419897333 1072225298 /nfs/dbraw/zinc/22/52/98/1072225298.db2.gz VSBAVYYDVUXZPF-BRWVUGGUSA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897335 1072225188 /nfs/dbraw/zinc/22/51/88/1072225188.db2.gz VSBAVYYDVUXZPF-IXDOHACOSA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419897337 1072225352 /nfs/dbraw/zinc/22/53/52/1072225352.db2.gz VSBAVYYDVUXZPF-ZACQAIPSSA-N 1 0 396.532 -0.029 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)c(C)o1 ZINC000419897465 1072225434 /nfs/dbraw/zinc/22/54/34/1072225434.db2.gz YYBHKJIHVAYHRY-UHFFFAOYSA-N 1 0 391.472 -0.798 20 0 GBADRO CCc1nsc(N2CCCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)n1 ZINC000419897486 1072225445 /nfs/dbraw/zinc/22/54/45/1072225445.db2.gz ZAVBKRBXQKNFIZ-UHFFFAOYSA-N 1 0 395.533 -0.839 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000419897590 1072225069 /nfs/dbraw/zinc/22/50/69/1072225069.db2.gz OQXIKGCFEUNTQB-UHFFFAOYSA-N 1 0 390.412 -0.867 20 0 GBADRO CN(C(=O)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1)c1ccccc1 ZINC000419898396 1072226045 /nfs/dbraw/zinc/22/60/45/1072226045.db2.gz ZQCHAUMTVGVZBY-INIZCTEOSA-N 1 0 387.484 -0.481 20 0 GBADRO CN(C(=O)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1)c1ccccc1 ZINC000419898397 1072226096 /nfs/dbraw/zinc/22/60/96/1072226096.db2.gz ZQCHAUMTVGVZBY-MRXNPFEDSA-N 1 0 387.484 -0.481 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419898846 1072225005 /nfs/dbraw/zinc/22/50/05/1072225005.db2.gz RFVSWLXRUWMWGZ-CHWSQXEVSA-N 1 0 386.518 -0.437 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419898847 1072225097 /nfs/dbraw/zinc/22/50/97/1072225097.db2.gz RFVSWLXRUWMWGZ-OLZOCXBDSA-N 1 0 386.518 -0.437 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419898848 1072225966 /nfs/dbraw/zinc/22/59/66/1072225966.db2.gz RFVSWLXRUWMWGZ-QWHCGFSZSA-N 1 0 386.518 -0.437 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419898849 1072226128 /nfs/dbraw/zinc/22/61/28/1072226128.db2.gz RFVSWLXRUWMWGZ-STQMWFEESA-N 1 0 386.518 -0.437 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419899132 1072224907 /nfs/dbraw/zinc/22/49/07/1072224907.db2.gz YBXFZLRSKGBTLO-AWEZNQCLSA-N 1 0 388.424 -0.432 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419899133 1072224917 /nfs/dbraw/zinc/22/49/17/1072224917.db2.gz YBXFZLRSKGBTLO-CQSZACIVSA-N 1 0 388.424 -0.432 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419899297 1072225286 /nfs/dbraw/zinc/22/52/86/1072225286.db2.gz YMQDTJHCCBANFP-GDBMZVCRSA-N 1 0 379.505 -0.554 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419899299 1072225016 /nfs/dbraw/zinc/22/50/16/1072225016.db2.gz YMQDTJHCCBANFP-GOEBONIOSA-N 1 0 379.505 -0.554 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419899301 1072225178 /nfs/dbraw/zinc/22/51/78/1072225178.db2.gz YMQDTJHCCBANFP-HOCLYGCPSA-N 1 0 379.505 -0.554 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419899303 1072224988 /nfs/dbraw/zinc/22/49/88/1072224988.db2.gz YMQDTJHCCBANFP-ZBFHGGJFSA-N 1 0 379.505 -0.554 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000419899502 1072226090 /nfs/dbraw/zinc/22/60/90/1072226090.db2.gz RDTPDAKDTDSMLY-UHFFFAOYSA-N 1 0 398.485 -0.746 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419899550 1072226093 /nfs/dbraw/zinc/22/60/93/1072226093.db2.gz YUIWMLOZQMVKNE-UHFFFAOYSA-N 1 0 382.486 -0.614 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419899594 1072226109 /nfs/dbraw/zinc/22/61/09/1072226109.db2.gz ZCXGPSXRQWQGMG-CVEARBPZSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000419899595 1072225753 /nfs/dbraw/zinc/22/57/53/1072225753.db2.gz ZCXGPSXRQWQGMG-HOTGVXAUSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419899596 1072225877 /nfs/dbraw/zinc/22/58/77/1072225877.db2.gz ZCXGPSXRQWQGMG-HZPDHXFCSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000419899597 1072226165 /nfs/dbraw/zinc/22/61/65/1072226165.db2.gz ZCXGPSXRQWQGMG-JKSUJKDBSA-N 1 0 381.521 -0.449 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000419899776 1072226156 /nfs/dbraw/zinc/22/61/56/1072226156.db2.gz ROFXCQOXPVXDQE-UHFFFAOYSA-N 1 0 376.457 -0.311 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900202 1072225824 /nfs/dbraw/zinc/22/58/24/1072225824.db2.gz SINBVCDMICNBLG-DLBZAZTESA-N 1 0 395.548 -0.107 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419900203 1072225931 /nfs/dbraw/zinc/22/59/31/1072225931.db2.gz SINBVCDMICNBLG-IAGOWNOFSA-N 1 0 395.548 -0.107 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900204 1072225892 /nfs/dbraw/zinc/22/58/92/1072225892.db2.gz SINBVCDMICNBLG-IRXDYDNUSA-N 1 0 395.548 -0.107 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419900205 1072225990 /nfs/dbraw/zinc/22/59/90/1072225990.db2.gz SINBVCDMICNBLG-SJORKVTESA-N 1 0 395.548 -0.107 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419900385 1072225790 /nfs/dbraw/zinc/22/57/90/1072225790.db2.gz QUBIXSDCKFAFFA-CVEARBPZSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419900386 1072226084 /nfs/dbraw/zinc/22/60/84/1072226084.db2.gz QUBIXSDCKFAFFA-HOTGVXAUSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419900387 1072226161 /nfs/dbraw/zinc/22/61/61/1072226161.db2.gz QUBIXSDCKFAFFA-HZPDHXFCSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419900388 1072225721 /nfs/dbraw/zinc/22/57/21/1072225721.db2.gz QUBIXSDCKFAFFA-JKSUJKDBSA-N 1 0 379.505 -0.600 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419900413 1072226106 /nfs/dbraw/zinc/22/61/06/1072226106.db2.gz QWRZLUIDWMOCKK-HNNXBMFYSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419900414 1072226101 /nfs/dbraw/zinc/22/61/01/1072226101.db2.gz QWRZLUIDWMOCKK-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000419900886 1072226060 /nfs/dbraw/zinc/22/60/60/1072226060.db2.gz RYZRMIAVMPVHNK-INIZCTEOSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000419900887 1072226150 /nfs/dbraw/zinc/22/61/50/1072226150.db2.gz RYZRMIAVMPVHNK-MRXNPFEDSA-N 1 0 379.505 -0.552 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)C1CCCCC1 ZINC000419900930 1072226120 /nfs/dbraw/zinc/22/61/20/1072226120.db2.gz SHPHJGYLAYKAIH-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)C1CCCCC1 ZINC000419900931 1072226067 /nfs/dbraw/zinc/22/60/67/1072226067.db2.gz SHPHJGYLAYKAIH-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)nc2ccccc12 ZINC000419901154 1072225798 /nfs/dbraw/zinc/22/57/98/1072225798.db2.gz SLONQLJUGKAYFW-AWEZNQCLSA-N 1 0 397.483 -0.276 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)nc2ccccc12 ZINC000419901155 1072225710 /nfs/dbraw/zinc/22/57/10/1072225710.db2.gz SLONQLJUGKAYFW-CQSZACIVSA-N 1 0 397.483 -0.276 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@H]([C@H](C)O)C2)cc1 ZINC000419901479 1072226675 /nfs/dbraw/zinc/22/66/75/1072226675.db2.gz TXDOVZAKOCIMPC-MGHWNKPDSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1 ZINC000419901484 1072226711 /nfs/dbraw/zinc/22/67/11/1072226711.db2.gz TXDOVZAKOCIMPC-QCSYZSNVSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1 ZINC000419901488 1072226882 /nfs/dbraw/zinc/22/68/82/1072226882.db2.gz TXDOVZAKOCIMPC-XDKFSHSGSA-N 1 0 391.468 -0.135 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1 ZINC000419901494 1072226577 /nfs/dbraw/zinc/22/65/77/1072226577.db2.gz TXDOVZAKOCIMPC-XFKAJCMBSA-N 1 0 391.468 -0.135 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000419901579 1072225764 /nfs/dbraw/zinc/22/57/64/1072225764.db2.gz UICYGAKYOWGQIT-CYBMUJFWSA-N 1 0 380.411 -0.032 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000419901580 1072226745 /nfs/dbraw/zinc/22/67/45/1072226745.db2.gz UICYGAKYOWGQIT-ZDUSSCGKSA-N 1 0 380.411 -0.032 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000419901812 1072226123 /nfs/dbraw/zinc/22/61/23/1072226123.db2.gz UQZDGIKHRKOCNG-AWEZNQCLSA-N 1 0 398.467 -0.152 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000419901816 1072226052 /nfs/dbraw/zinc/22/60/52/1072226052.db2.gz UQZDGIKHRKOCNG-CQSZACIVSA-N 1 0 398.467 -0.152 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000419901962 1072226135 /nfs/dbraw/zinc/22/61/35/1072226135.db2.gz VIWAUEVNVYOXNI-UHFFFAOYSA-N 1 0 394.472 -0.308 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1 ZINC000419902041 1072226148 /nfs/dbraw/zinc/22/61/48/1072226148.db2.gz UFPLKWCDCVEYLD-FTRWYGJKSA-N 1 0 388.468 -0.019 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000419902042 1072226081 /nfs/dbraw/zinc/22/60/81/1072226081.db2.gz UFPLKWCDCVEYLD-RZQQEMMASA-N 1 0 388.468 -0.019 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000419902043 1072226034 /nfs/dbraw/zinc/22/60/34/1072226034.db2.gz UFPLKWCDCVEYLD-TWOQFEAHSA-N 1 0 388.468 -0.019 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1 ZINC000419902044 1072226104 /nfs/dbraw/zinc/22/61/04/1072226104.db2.gz UFPLKWCDCVEYLD-YRNRMSPPSA-N 1 0 388.468 -0.019 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419902163 1072226019 /nfs/dbraw/zinc/22/60/19/1072226019.db2.gz UYCAZWGQELNAFK-AWEZNQCLSA-N 1 0 392.481 -0.542 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419902168 1072225809 /nfs/dbraw/zinc/22/58/09/1072225809.db2.gz UYCAZWGQELNAFK-CQSZACIVSA-N 1 0 392.481 -0.542 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 ZINC000419902184 1072226040 /nfs/dbraw/zinc/22/60/40/1072226040.db2.gz VNSLZDKKSVHBOF-HNNXBMFYSA-N 1 0 376.457 -0.231 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000419902186 1072226167 /nfs/dbraw/zinc/22/61/67/1072226167.db2.gz VNSLZDKKSVHBOF-OAHLLOKOSA-N 1 0 376.457 -0.231 20 0 GBADRO C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419902358 1072226139 /nfs/dbraw/zinc/22/61/39/1072226139.db2.gz DRNKBERVHBBGQE-YESZJQIVSA-N 1 0 396.532 -0.029 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000419902799 1072226647 /nfs/dbraw/zinc/22/66/47/1072226647.db2.gz HLFOOUZMWYIHSN-BBWFWOEESA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000419902801 1072226583 /nfs/dbraw/zinc/22/65/83/1072226583.db2.gz HLFOOUZMWYIHSN-GVDBMIGSSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000419902804 1072226691 /nfs/dbraw/zinc/22/66/91/1072226691.db2.gz HLFOOUZMWYIHSN-ULQDDVLXSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000419902806 1072226667 /nfs/dbraw/zinc/22/66/67/1072226667.db2.gz HLFOOUZMWYIHSN-YESZJQIVSA-N 1 0 393.532 -0.306 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000419903115 1072226734 /nfs/dbraw/zinc/22/67/34/1072226734.db2.gz IALRTAPIXLTOFA-CQSZACIVSA-N 1 0 380.470 -0.337 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000419903364 1072226609 /nfs/dbraw/zinc/22/66/09/1072226609.db2.gz WMHGQMMFEDPJJH-AWEZNQCLSA-N 1 0 382.486 -0.400 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419903367 1072226722 /nfs/dbraw/zinc/22/67/22/1072226722.db2.gz WMHGQMMFEDPJJH-CQSZACIVSA-N 1 0 382.486 -0.400 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1C(=O)c1cnn(C)c1 ZINC000419903453 1072226988 /nfs/dbraw/zinc/22/69/88/1072226988.db2.gz APSLMLKLQCYAEZ-WMLDXEAASA-N 1 0 398.467 -0.091 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1C(=O)c1cnn(C)c1 ZINC000419903455 1072226490 /nfs/dbraw/zinc/22/64/90/1072226490.db2.gz APSLMLKLQCYAEZ-YOEHRIQHSA-N 1 0 398.467 -0.091 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC000419903547 1072226628 /nfs/dbraw/zinc/22/66/28/1072226628.db2.gz VDPMTLCFBDSGOI-CVEARBPZSA-N 1 0 384.440 -0.109 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC000419903550 1072226904 /nfs/dbraw/zinc/22/69/04/1072226904.db2.gz VDPMTLCFBDSGOI-HOTGVXAUSA-N 1 0 384.440 -0.109 20 0 GBADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC000419903554 1072226919 /nfs/dbraw/zinc/22/69/19/1072226919.db2.gz VDPMTLCFBDSGOI-HZPDHXFCSA-N 1 0 384.440 -0.109 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCn3ncnc3C2)cc1 ZINC000419903557 1072226589 /nfs/dbraw/zinc/22/65/89/1072226589.db2.gz VDPMTLCFBDSGOI-JKSUJKDBSA-N 1 0 384.440 -0.109 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000419903608 1072226633 /nfs/dbraw/zinc/22/66/33/1072226633.db2.gz VFCPIWBVEVWJFA-INIZCTEOSA-N 1 0 387.484 -0.115 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000419903610 1072226594 /nfs/dbraw/zinc/22/65/94/1072226594.db2.gz VFCPIWBVEVWJFA-MRXNPFEDSA-N 1 0 387.484 -0.115 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000419903688 1072227008 /nfs/dbraw/zinc/22/70/08/1072227008.db2.gz VHULCBNKHMBQLO-INIZCTEOSA-N 1 0 379.505 -0.741 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000419903691 1072226728 /nfs/dbraw/zinc/22/67/28/1072226728.db2.gz VHULCBNKHMBQLO-MRXNPFEDSA-N 1 0 379.505 -0.741 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419903840 1072226779 /nfs/dbraw/zinc/22/67/79/1072226779.db2.gz WZBSDTHFJICQJF-DZKIICNBSA-N 1 0 380.468 -0.341 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419903841 1072226840 /nfs/dbraw/zinc/22/68/40/1072226840.db2.gz WZBSDTHFJICQJF-LZWOXQAQSA-N 1 0 380.468 -0.341 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419903983 1072226795 /nfs/dbraw/zinc/22/67/95/1072226795.db2.gz BALCPDQHZDCXBW-PBHICJAKSA-N 1 0 387.484 -0.386 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419903984 1072226762 /nfs/dbraw/zinc/22/67/62/1072226762.db2.gz BALCPDQHZDCXBW-RHSMWYFYSA-N 1 0 387.484 -0.386 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419903985 1072226823 /nfs/dbraw/zinc/22/68/23/1072226823.db2.gz BALCPDQHZDCXBW-WMLDXEAASA-N 1 0 387.484 -0.386 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419903986 1072226653 /nfs/dbraw/zinc/22/66/53/1072226653.db2.gz BALCPDQHZDCXBW-YOEHRIQHSA-N 1 0 387.484 -0.386 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000419904490 1072226713 /nfs/dbraw/zinc/22/67/13/1072226713.db2.gz RCHUZFXHLNZJHE-YESZJQIVSA-N 1 0 393.532 -0.497 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000419904563 1072226544 /nfs/dbraw/zinc/22/65/44/1072226544.db2.gz RPDCGMSFEFTHMX-MRXNPFEDSA-N 1 0 379.505 -0.599 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419904797 1072226601 /nfs/dbraw/zinc/22/66/01/1072226601.db2.gz VRPBBBIKWQRTPB-CVEARBPZSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419904798 1072226509 /nfs/dbraw/zinc/22/65/09/1072226509.db2.gz VRPBBBIKWQRTPB-HOTGVXAUSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419904799 1072226957 /nfs/dbraw/zinc/22/69/57/1072226957.db2.gz VRPBBBIKWQRTPB-HZPDHXFCSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419904800 1072226533 /nfs/dbraw/zinc/22/65/33/1072226533.db2.gz VRPBBBIKWQRTPB-JKSUJKDBSA-N 1 0 393.532 -0.306 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000419904932 1072226616 /nfs/dbraw/zinc/22/66/16/1072226616.db2.gz YCEGNGZMXXSQJZ-UHFFFAOYSA-N 1 0 381.864 -0.242 20 0 GBADRO C[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000419905627 1072226638 /nfs/dbraw/zinc/22/66/38/1072226638.db2.gz ZBHCHBGUBHAILC-UHFFFAOYSA-N 1 0 382.486 -0.528 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000419905818 1072223783 /nfs/dbraw/zinc/22/37/83/1072223783.db2.gz ZJPOFTVNPNQYDA-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000419905819 1072223875 /nfs/dbraw/zinc/22/38/75/1072223875.db2.gz ZJPOFTVNPNQYDA-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419905942 1072226472 /nfs/dbraw/zinc/22/64/72/1072226472.db2.gz XZZCIBFUSAHEGJ-CABCVRRESA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419905943 1072226695 /nfs/dbraw/zinc/22/66/95/1072226695.db2.gz XZZCIBFUSAHEGJ-HUUCEWRRSA-N 1 0 386.518 -0.292 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419906608 1072229369 /nfs/dbraw/zinc/22/93/69/1072229369.db2.gz AIXPHXMFURPAMH-KRWDZBQOSA-N 1 0 389.500 -0.185 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419906610 1072228869 /nfs/dbraw/zinc/22/88/69/1072228869.db2.gz AIXPHXMFURPAMH-QGZVFWFLSA-N 1 0 389.500 -0.185 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419906833 1072229382 /nfs/dbraw/zinc/22/93/82/1072229382.db2.gz DDVSOFBMJZKUFB-UHFFFAOYSA-N 1 0 396.513 -0.224 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419906953 1072229146 /nfs/dbraw/zinc/22/91/46/1072229146.db2.gz AZPKWIOMDABKID-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419906955 1072229081 /nfs/dbraw/zinc/22/90/81/1072229081.db2.gz AZPKWIOMDABKID-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419906956 1072229406 /nfs/dbraw/zinc/22/94/06/1072229406.db2.gz AZPKWIOMDABKID-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419906959 1072228957 /nfs/dbraw/zinc/22/89/57/1072228957.db2.gz AZPKWIOMDABKID-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000419907040 1072228908 /nfs/dbraw/zinc/22/89/08/1072228908.db2.gz XIPRAQFKDAXWJH-COXVUDFISA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000419907041 1072228887 /nfs/dbraw/zinc/22/88/87/1072228887.db2.gz XIPRAQFKDAXWJH-JQFCIGGWSA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000419907042 1072229283 /nfs/dbraw/zinc/22/92/83/1072229283.db2.gz XIPRAQFKDAXWJH-RRQGHBQHSA-N 1 0 388.468 -0.054 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000419907043 1072229270 /nfs/dbraw/zinc/22/92/70/1072229270.db2.gz XIPRAQFKDAXWJH-XOKHGSTOSA-N 1 0 388.468 -0.054 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000419907119 1072228993 /nfs/dbraw/zinc/22/89/93/1072228993.db2.gz DVFHHMKZNRLTBE-UHFFFAOYSA-N 1 0 375.473 -0.115 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000419907540 1072228882 /nfs/dbraw/zinc/22/88/82/1072228882.db2.gz XPLADLHMOOCPRS-IKGGRYGDSA-N 1 0 377.441 -0.523 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000419907541 1072229157 /nfs/dbraw/zinc/22/91/57/1072229157.db2.gz XPLADLHMOOCPRS-IXDOHACOSA-N 1 0 377.441 -0.523 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000419907542 1072228973 /nfs/dbraw/zinc/22/89/73/1072228973.db2.gz XPLADLHMOOCPRS-ULQDDVLXSA-N 1 0 377.441 -0.523 20 0 GBADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCO[C@H](CO)C2)cc1 ZINC000419907543 1072228963 /nfs/dbraw/zinc/22/89/63/1072228963.db2.gz XPLADLHMOOCPRS-YESZJQIVSA-N 1 0 377.441 -0.523 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000419907669 1072229288 /nfs/dbraw/zinc/22/92/88/1072229288.db2.gz CQSFPKZSYLPOQM-KRWDZBQOSA-N 1 0 393.532 -0.351 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000419907670 1072228980 /nfs/dbraw/zinc/22/89/80/1072228980.db2.gz CQSFPKZSYLPOQM-QGZVFWFLSA-N 1 0 393.532 -0.351 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419907717 1072229094 /nfs/dbraw/zinc/22/90/94/1072229094.db2.gz GMKRZFFOXKRPHU-UHFFFAOYSA-N 1 0 382.486 -0.365 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000419907723 1072229299 /nfs/dbraw/zinc/22/92/99/1072229299.db2.gz GNKQSECFTDOPCX-UHFFFAOYSA-N 1 0 382.486 -0.089 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000419908289 1072229038 /nfs/dbraw/zinc/22/90/38/1072229038.db2.gz HVMSXJOGZYVIMT-UHFFFAOYSA-N 1 0 381.521 -0.305 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000419908306 1072229030 /nfs/dbraw/zinc/22/90/30/1072229030.db2.gz IACBXRNOZBUNAH-HNNXBMFYSA-N 1 0 381.521 -0.306 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000419908307 1072228896 /nfs/dbraw/zinc/22/88/96/1072228896.db2.gz IACBXRNOZBUNAH-OAHLLOKOSA-N 1 0 381.521 -0.306 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419908832 1072229238 /nfs/dbraw/zinc/22/92/38/1072229238.db2.gz JUDSHEDVXMXMQP-UHFFFAOYSA-N 1 0 396.513 -0.056 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000419908851 1072229184 /nfs/dbraw/zinc/22/91/84/1072229184.db2.gz JYJOGUOEXREHHE-UHFFFAOYSA-N 1 0 381.521 -0.351 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419909171 1072229110 /nfs/dbraw/zinc/22/91/10/1072229110.db2.gz LDYLGXFLOVSRAH-UHFFFAOYSA-N 1 0 399.499 -0.028 20 0 GBADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419910131 1072229016 /nfs/dbraw/zinc/22/90/16/1072229016.db2.gz HKHSWKJIQHIKGL-HNNXBMFYSA-N 1 0 394.497 -0.365 20 0 GBADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419910132 1072228926 /nfs/dbraw/zinc/22/89/26/1072228926.db2.gz HKHSWKJIQHIKGL-OAHLLOKOSA-N 1 0 394.497 -0.365 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419910265 1072229207 /nfs/dbraw/zinc/22/92/07/1072229207.db2.gz OIGHHTSHQPROQN-UHFFFAOYSA-N 1 0 394.447 -0.009 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000419910286 1072229304 /nfs/dbraw/zinc/22/93/04/1072229304.db2.gz OLCDVHKJOHVSMG-UHFFFAOYSA-N 1 0 389.500 -0.437 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419910558 1072228939 /nfs/dbraw/zinc/22/89/39/1072228939.db2.gz IECUPDHFZCRCEP-INIZCTEOSA-N 1 0 375.473 -0.529 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419910559 1072229056 /nfs/dbraw/zinc/22/90/56/1072229056.db2.gz IECUPDHFZCRCEP-MRXNPFEDSA-N 1 0 375.473 -0.529 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000419910708 1072229327 /nfs/dbraw/zinc/22/93/27/1072229327.db2.gz QNCVLJOCTSGAIG-KBPBESRZSA-N 1 0 384.456 -0.135 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419911349 1072228904 /nfs/dbraw/zinc/22/89/04/1072228904.db2.gz SKWWKXIXBSOULJ-UHFFFAOYSA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000419911399 1072230016 /nfs/dbraw/zinc/23/00/16/1072230016.db2.gz SVUMFFBQDZCVEV-UHFFFAOYSA-N 1 0 392.522 -0.999 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419911638 1072230076 /nfs/dbraw/zinc/23/00/76/1072230076.db2.gz TWAACOZIFJQKMH-HNNXBMFYSA-N 1 0 388.534 -0.045 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419911639 1072229872 /nfs/dbraw/zinc/22/98/72/1072229872.db2.gz TWAACOZIFJQKMH-OAHLLOKOSA-N 1 0 388.534 -0.045 20 0 GBADRO C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419911765 1072229771 /nfs/dbraw/zinc/22/97/71/1072229771.db2.gz DRNKBERVHBBGQE-ULQDDVLXSA-N 1 0 396.532 -0.029 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419911949 1072229984 /nfs/dbraw/zinc/22/99/84/1072229984.db2.gz UXBVPPQSGFMVGQ-UHFFFAOYSA-N 1 0 390.440 -0.185 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419912171 1072229343 /nfs/dbraw/zinc/22/93/43/1072229343.db2.gz KXTXBOASRLCELV-CABCVRRESA-N 1 0 382.486 -0.269 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419912172 1072228857 /nfs/dbraw/zinc/22/88/57/1072228857.db2.gz KXTXBOASRLCELV-GJZGRUSLSA-N 1 0 382.486 -0.269 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419912174 1072229161 /nfs/dbraw/zinc/22/91/61/1072229161.db2.gz KXTXBOASRLCELV-HUUCEWRRSA-N 1 0 382.486 -0.269 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419912175 1072229928 /nfs/dbraw/zinc/22/99/28/1072229928.db2.gz KXTXBOASRLCELV-LSDHHAIUSA-N 1 0 382.486 -0.269 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000419912407 1072230081 /nfs/dbraw/zinc/23/00/81/1072230081.db2.gz IALRTAPIXLTOFA-AWEZNQCLSA-N 1 0 380.470 -0.337 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419912626 1072230045 /nfs/dbraw/zinc/23/00/45/1072230045.db2.gz XGUYZCMNVWTNFL-UHFFFAOYSA-N 1 0 383.474 -0.970 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419912956 1072229908 /nfs/dbraw/zinc/22/99/08/1072229908.db2.gz MBZOSUYXXGWBGH-CVEARBPZSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419912957 1072230087 /nfs/dbraw/zinc/23/00/87/1072230087.db2.gz MBZOSUYXXGWBGH-HOTGVXAUSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419912958 1072229886 /nfs/dbraw/zinc/22/98/86/1072229886.db2.gz MBZOSUYXXGWBGH-HZPDHXFCSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419912959 1072229976 /nfs/dbraw/zinc/22/99/76/1072229976.db2.gz MBZOSUYXXGWBGH-JKSUJKDBSA-N 1 0 393.532 -0.306 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419913022 1072229993 /nfs/dbraw/zinc/22/99/93/1072229993.db2.gz MGJVOZSZXNLXBZ-INIZCTEOSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1)NC1CCCCC1 ZINC000419913024 1072230007 /nfs/dbraw/zinc/23/00/07/1072230007.db2.gz MGJVOZSZXNLXBZ-MRXNPFEDSA-N 1 0 393.532 -0.305 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000419913288 1072229959 /nfs/dbraw/zinc/22/99/59/1072229959.db2.gz MQVUCFMWKBQUTB-INIZCTEOSA-N 1 0 379.505 -0.741 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000419913291 1072229946 /nfs/dbraw/zinc/22/99/46/1072229946.db2.gz MQVUCFMWKBQUTB-MRXNPFEDSA-N 1 0 379.505 -0.741 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000419913299 1072230049 /nfs/dbraw/zinc/23/00/49/1072230049.db2.gz MRZRPNLWCDQNRT-AWEZNQCLSA-N 1 0 394.497 -0.089 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000419913300 1072230067 /nfs/dbraw/zinc/23/00/67/1072230067.db2.gz MRZRPNLWCDQNRT-CQSZACIVSA-N 1 0 394.497 -0.089 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000419914076 1072226701 /nfs/dbraw/zinc/22/67/01/1072226701.db2.gz RCHUZFXHLNZJHE-ULQDDVLXSA-N 1 0 393.532 -0.497 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000419914096 1072226568 /nfs/dbraw/zinc/22/65/68/1072226568.db2.gz RPDCGMSFEFTHMX-INIZCTEOSA-N 1 0 379.505 -0.599 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000419914374 1072226860 /nfs/dbraw/zinc/22/68/60/1072226860.db2.gz BUUZMMMSNVNWFG-HOCLYGCPSA-N 1 0 382.484 -0.093 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000419914584 1072227706 /nfs/dbraw/zinc/22/77/06/1072227706.db2.gz OEULXRZYEQYPAN-INIZCTEOSA-N 1 0 387.484 -0.115 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000419914585 1072227497 /nfs/dbraw/zinc/22/74/97/1072227497.db2.gz OEULXRZYEQYPAN-MRXNPFEDSA-N 1 0 387.484 -0.115 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915204 1072226971 /nfs/dbraw/zinc/22/69/71/1072226971.db2.gz CSGVFHFWWGLXCB-DLBZAZTESA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915205 1072226933 /nfs/dbraw/zinc/22/69/33/1072226933.db2.gz CSGVFHFWWGLXCB-IAGOWNOFSA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915206 1072227389 /nfs/dbraw/zinc/22/73/89/1072227389.db2.gz CSGVFHFWWGLXCB-IRXDYDNUSA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 ZINC000419915207 1072227639 /nfs/dbraw/zinc/22/76/39/1072227639.db2.gz CSGVFHFWWGLXCB-SJORKVTESA-N 1 0 388.468 -0.100 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419915619 1072227610 /nfs/dbraw/zinc/22/76/10/1072227610.db2.gz XZZCIBFUSAHEGJ-GJZGRUSLSA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419915624 1072227372 /nfs/dbraw/zinc/22/73/72/1072227372.db2.gz XZZCIBFUSAHEGJ-LSDHHAIUSA-N 1 0 386.518 -0.292 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000419916081 1072227459 /nfs/dbraw/zinc/22/74/59/1072227459.db2.gz DKODAZCSDYJWSH-INIZCTEOSA-N 1 0 394.497 -0.125 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000419916090 1072227679 /nfs/dbraw/zinc/22/76/79/1072227679.db2.gz DKODAZCSDYJWSH-MRXNPFEDSA-N 1 0 394.497 -0.125 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000419916474 1072227582 /nfs/dbraw/zinc/22/75/82/1072227582.db2.gz FPRMZOGBXSYVAH-DLBZAZTESA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419916476 1072227539 /nfs/dbraw/zinc/22/75/39/1072227539.db2.gz FPRMZOGBXSYVAH-IAGOWNOFSA-N 1 0 395.548 -0.059 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000419916478 1072227619 /nfs/dbraw/zinc/22/76/19/1072227619.db2.gz FPRMZOGBXSYVAH-IRXDYDNUSA-N 1 0 395.548 -0.059 20 0 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C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000419919238 1072227448 /nfs/dbraw/zinc/22/74/48/1072227448.db2.gz AVWYLRQJPXOMNH-KBPBESRZSA-N 1 0 386.460 -0.580 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000419919243 1072227716 /nfs/dbraw/zinc/22/77/16/1072227716.db2.gz AVWYLRQJPXOMNH-KGLIPLIRSA-N 1 0 386.460 -0.580 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000419919246 1072227615 /nfs/dbraw/zinc/22/76/15/1072227615.db2.gz AVWYLRQJPXOMNH-UONOGXRCSA-N 1 0 386.460 -0.580 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000419919248 1072227323 /nfs/dbraw/zinc/22/73/23/1072227323.db2.gz AVWYLRQJPXOMNH-ZIAGYGMSSA-N 1 0 386.460 -0.580 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000419919996 1072227647 /nfs/dbraw/zinc/22/76/47/1072227647.db2.gz WIGKYFCRWUWRBF-HNNXBMFYSA-N 1 0 396.513 -0.152 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000419919998 1072227689 /nfs/dbraw/zinc/22/76/89/1072227689.db2.gz WIGKYFCRWUWRBF-OAHLLOKOSA-N 1 0 396.513 -0.152 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)ncn1 ZINC000419920159 1072227406 /nfs/dbraw/zinc/22/74/06/1072227406.db2.gz WMJHYGXYYZSUOW-HNNXBMFYSA-N 1 0 384.440 -0.050 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)ncn1 ZINC000419920161 1072227554 /nfs/dbraw/zinc/22/75/54/1072227554.db2.gz WMJHYGXYYZSUOW-OAHLLOKOSA-N 1 0 384.440 -0.050 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419920442 1072227576 /nfs/dbraw/zinc/22/75/76/1072227576.db2.gz GKWYICKQKSROOX-UHFFFAOYSA-N 1 0 376.457 -0.316 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419920792 1072227491 /nfs/dbraw/zinc/22/74/91/1072227491.db2.gz GVTWEPFTKMDUNV-CYBMUJFWSA-N 1 0 391.447 -0.368 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419920793 1072227290 /nfs/dbraw/zinc/22/72/90/1072227290.db2.gz GVTWEPFTKMDUNV-ZDUSSCGKSA-N 1 0 391.447 -0.368 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)N1CCCc2ccccc21 ZINC000419921676 1072227430 /nfs/dbraw/zinc/22/74/30/1072227430.db2.gz IKXOHAWVWMNABS-UHFFFAOYSA-N 1 0 399.495 -0.554 20 0 GBADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419921784 1072227662 /nfs/dbraw/zinc/22/76/62/1072227662.db2.gz IROSRYJFURWYKB-CVEARBPZSA-N 1 0 384.436 -0.502 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000419922371 1072227246 /nfs/dbraw/zinc/22/72/46/1072227246.db2.gz OVYHQUMYHDWKNO-UHFFFAOYSA-N 1 0 395.548 -0.105 20 0 GBADRO CCOc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)n1 ZINC000419922629 1072228344 /nfs/dbraw/zinc/22/83/44/1072228344.db2.gz AHTMDMXRYCGKGA-CYBMUJFWSA-N 1 0 378.477 -0.196 20 0 GBADRO CCOc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)n1 ZINC000419922636 1072228372 /nfs/dbraw/zinc/22/83/72/1072228372.db2.gz AHTMDMXRYCGKGA-ZDUSSCGKSA-N 1 0 378.477 -0.196 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)cc(OC)c1 ZINC000419923099 1072227674 /nfs/dbraw/zinc/22/76/74/1072227674.db2.gz KXJBBDGIXOSXJW-UHFFFAOYSA-N 1 0 376.457 -0.316 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419923127 1072228238 /nfs/dbraw/zinc/22/82/38/1072228238.db2.gz ARTUBUPIAHWWMQ-DZGCQCFKSA-N 1 0 388.534 -0.189 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419923130 1072227312 /nfs/dbraw/zinc/22/73/12/1072227312.db2.gz ARTUBUPIAHWWMQ-HIFRSBDPSA-N 1 0 388.534 -0.189 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419923131 1072227485 /nfs/dbraw/zinc/22/74/85/1072227485.db2.gz ARTUBUPIAHWWMQ-UKRRQHHQSA-N 1 0 388.534 -0.189 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000419923133 1072227723 /nfs/dbraw/zinc/22/77/23/1072227723.db2.gz ARTUBUPIAHWWMQ-ZFWWWQNUSA-N 1 0 388.534 -0.189 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419923203 1072227605 /nfs/dbraw/zinc/22/76/05/1072227605.db2.gz PWKPXPJLMNRRCY-INIZCTEOSA-N 1 0 388.468 -0.230 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419923204 1072227240 /nfs/dbraw/zinc/22/72/40/1072227240.db2.gz PWKPXPJLMNRRCY-MRXNPFEDSA-N 1 0 388.468 -0.230 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923236 1072227629 /nfs/dbraw/zinc/22/76/29/1072227629.db2.gz GHBABKUWFZOHAZ-INIZCTEOSA-N 1 0 375.473 -0.575 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923237 1072227590 /nfs/dbraw/zinc/22/75/90/1072227590.db2.gz GHBABKUWFZOHAZ-MRXNPFEDSA-N 1 0 375.473 -0.575 20 0 GBADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419923649 1072228339 /nfs/dbraw/zinc/22/83/39/1072228339.db2.gz QHHBGQLWRWYCSC-BBWFWOEESA-N 1 0 398.463 -0.112 20 0 GBADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419923650 1072228333 /nfs/dbraw/zinc/22/83/33/1072228333.db2.gz QHHBGQLWRWYCSC-ZACQAIPSSA-N 1 0 398.463 -0.112 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419924019 1072228437 /nfs/dbraw/zinc/22/84/37/1072228437.db2.gz MICOXXIGDPZMMJ-UHFFFAOYSA-N 1 0 376.457 -0.446 20 0 GBADRO O=C(Cc1ccccc1Cl)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419924095 1072228306 /nfs/dbraw/zinc/22/83/06/1072228306.db2.gz MPXCNRNMRJFGDK-UHFFFAOYSA-N 1 0 378.860 -0.111 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)CC1 ZINC000419924432 1072228117 /nfs/dbraw/zinc/22/81/17/1072228117.db2.gz MXPZHSRWMDIEFY-UHFFFAOYSA-N 1 0 379.505 -0.839 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000419924698 1072228497 /nfs/dbraw/zinc/22/84/97/1072228497.db2.gz HNUJOXLJKWARPV-UHFFFAOYSA-N 1 0 384.502 -0.152 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419924992 1072228170 /nfs/dbraw/zinc/22/81/70/1072228170.db2.gz SEWGRSVXNNWTQN-HNNXBMFYSA-N 1 0 394.497 -0.446 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419924993 1072228516 /nfs/dbraw/zinc/22/85/16/1072228516.db2.gz SEWGRSVXNNWTQN-OAHLLOKOSA-N 1 0 394.497 -0.446 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419925025 1072228445 /nfs/dbraw/zinc/22/84/45/1072228445.db2.gz NSTOAPZKVSIQDK-UHFFFAOYSA-N 1 0 388.468 -0.311 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419925109 1072228178 /nfs/dbraw/zinc/22/81/78/1072228178.db2.gz IGEQYOKQFGRLBY-AWEZNQCLSA-N 1 0 392.522 -0.999 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000419925110 1072228508 /nfs/dbraw/zinc/22/85/08/1072228508.db2.gz IGEQYOKQFGRLBY-CQSZACIVSA-N 1 0 392.522 -0.999 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)C1CCCCC1 ZINC000419925310 1072228264 /nfs/dbraw/zinc/22/82/64/1072228264.db2.gz OHYPVKOMCYVDQG-UHFFFAOYSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)C1 ZINC000419925363 1072228217 /nfs/dbraw/zinc/22/82/17/1072228217.db2.gz OQASBODPVOBHEA-GDBMZVCRSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)C1 ZINC000419925364 1072228301 /nfs/dbraw/zinc/22/83/01/1072228301.db2.gz OQASBODPVOBHEA-GOEBONIOSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)C1 ZINC000419925365 1072228484 /nfs/dbraw/zinc/22/84/84/1072228484.db2.gz OQASBODPVOBHEA-HOCLYGCPSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)C1 ZINC000419925366 1072228223 /nfs/dbraw/zinc/22/82/23/1072228223.db2.gz OQASBODPVOBHEA-ZBFHGGJFSA-N 1 0 379.505 -0.839 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925415 1072228270 /nfs/dbraw/zinc/22/82/70/1072228270.db2.gz IOTSZVHAIKTTOY-JXFKEZNVSA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925416 1072228277 /nfs/dbraw/zinc/22/82/77/1072228277.db2.gz IOTSZVHAIKTTOY-OXJNMPFZSA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925417 1072228313 /nfs/dbraw/zinc/22/83/13/1072228313.db2.gz IOTSZVHAIKTTOY-OXQOHEQNSA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)c1ccccc1 ZINC000419925418 1072228127 /nfs/dbraw/zinc/22/81/27/1072228127.db2.gz IOTSZVHAIKTTOY-UZLBHIALSA-N 1 0 388.468 -0.222 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419926106 1072228454 /nfs/dbraw/zinc/22/84/54/1072228454.db2.gz AUVLFPJDDBKTIK-HNNXBMFYSA-N 1 0 396.513 -0.119 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419926107 1072228291 /nfs/dbraw/zinc/22/82/91/1072228291.db2.gz AUVLFPJDDBKTIK-OAHLLOKOSA-N 1 0 396.513 -0.119 20 0 GBADRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419926462 1072228260 /nfs/dbraw/zinc/22/82/60/1072228260.db2.gz PWIDRVSFUOFVPJ-UHFFFAOYSA-N 1 0 378.860 -0.111 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000419926481 1072228109 /nfs/dbraw/zinc/22/81/09/1072228109.db2.gz PYBUFRLBHFYFLE-UHFFFAOYSA-N 1 0 393.875 -0.242 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)cc1C ZINC000419926627 1072228394 /nfs/dbraw/zinc/22/83/94/1072228394.db2.gz QDSYXBLABCOTBW-UHFFFAOYSA-N 1 0 394.497 -0.528 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000419926640 1072228250 /nfs/dbraw/zinc/22/82/50/1072228250.db2.gz BKQLMUDNXPXLRT-HNNXBMFYSA-N 1 0 390.484 -0.120 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000419926641 1072228136 /nfs/dbraw/zinc/22/81/36/1072228136.db2.gz BKQLMUDNXPXLRT-OAHLLOKOSA-N 1 0 390.484 -0.120 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000419926723 1072228092 /nfs/dbraw/zinc/22/80/92/1072228092.db2.gz VAGMTVQCSBRTSE-GFCCVEGCSA-N 1 0 380.470 -0.091 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000419926732 1072228152 /nfs/dbraw/zinc/22/81/52/1072228152.db2.gz VAGMTVQCSBRTSE-LBPRGKRZSA-N 1 0 380.470 -0.091 20 0 GBADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419926936 1072228285 /nfs/dbraw/zinc/22/82/85/1072228285.db2.gz QNAAGOAHDLAIQR-KRWDZBQOSA-N 1 0 385.468 -0.728 20 0 GBADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419926939 1072228310 /nfs/dbraw/zinc/22/83/10/1072228310.db2.gz QNAAGOAHDLAIQR-QGZVFWFLSA-N 1 0 385.468 -0.728 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)n1 ZINC000419927307 1072228254 /nfs/dbraw/zinc/22/82/54/1072228254.db2.gz JVIGVZSJKCWAMZ-HNNXBMFYSA-N 1 0 384.440 -0.050 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)n1 ZINC000419927308 1072228142 /nfs/dbraw/zinc/22/81/42/1072228142.db2.gz JVIGVZSJKCWAMZ-OAHLLOKOSA-N 1 0 384.440 -0.050 20 0 GBADRO O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419929174 1072228359 /nfs/dbraw/zinc/22/83/59/1072228359.db2.gz VFGCBQZFPYNTAF-UHFFFAOYSA-N 1 0 378.860 -0.111 20 0 GBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)n1 ZINC000419929456 1072228182 /nfs/dbraw/zinc/22/81/82/1072228182.db2.gz MLEJGUQGQWTHCD-GFCCVEGCSA-N 1 0 375.458 -0.415 20 0 GBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)n1 ZINC000419929458 1072228295 /nfs/dbraw/zinc/22/82/95/1072228295.db2.gz MLEJGUQGQWTHCD-LBPRGKRZSA-N 1 0 375.458 -0.415 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419929801 1072228245 /nfs/dbraw/zinc/22/82/45/1072228245.db2.gz WIKDJFJMYSZJBJ-HNNXBMFYSA-N 1 0 388.468 -0.231 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419929802 1072228385 /nfs/dbraw/zinc/22/83/85/1072228385.db2.gz WIKDJFJMYSZJBJ-OAHLLOKOSA-N 1 0 388.468 -0.231 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419930644 1072229219 /nfs/dbraw/zinc/22/92/19/1072229219.db2.gz OGYFOJBVRPPGEQ-INIZCTEOSA-N 1 0 396.451 -0.355 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419930645 1072229123 /nfs/dbraw/zinc/22/91/23/1072229123.db2.gz OGYFOJBVRPPGEQ-MRXNPFEDSA-N 1 0 396.451 -0.355 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419930676 1072229311 /nfs/dbraw/zinc/22/93/11/1072229311.db2.gz OMXJRHRBQCVGKB-HNNXBMFYSA-N 1 0 376.457 -0.102 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419930677 1072229356 /nfs/dbraw/zinc/22/93/56/1072229356.db2.gz OMXJRHRBQCVGKB-OAHLLOKOSA-N 1 0 376.457 -0.102 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419931324 1072228162 /nfs/dbraw/zinc/22/81/62/1072228162.db2.gz PAWRGIFXRIXTJI-CALCHBBNSA-N 1 0 395.548 -0.249 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419931328 1072228427 /nfs/dbraw/zinc/22/84/27/1072228427.db2.gz PAWRGIFXRIXTJI-IAGOWNOFSA-N 1 0 395.548 -0.249 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419931331 1072229337 /nfs/dbraw/zinc/22/93/37/1072229337.db2.gz PAWRGIFXRIXTJI-IRXDYDNUSA-N 1 0 395.548 -0.249 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)s1 ZINC000419931625 1072230573 /nfs/dbraw/zinc/23/05/73/1072230573.db2.gz DBOZYMYXUIQLQI-GFCCVEGCSA-N 1 0 397.501 -0.060 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)s1 ZINC000419931631 1072230552 /nfs/dbraw/zinc/23/05/52/1072230552.db2.gz DBOZYMYXUIQLQI-LBPRGKRZSA-N 1 0 397.501 -0.060 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419932338 1072229257 /nfs/dbraw/zinc/22/92/57/1072229257.db2.gz DPKLKRRZGMNAMD-UHFFFAOYSA-N 1 0 394.497 -0.528 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419933185 1072230579 /nfs/dbraw/zinc/23/05/79/1072230579.db2.gz APAAAEZWPUJEBJ-CYBMUJFWSA-N 1 0 379.436 -0.381 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419933186 1072231266 /nfs/dbraw/zinc/23/12/66/1072231266.db2.gz APAAAEZWPUJEBJ-ZDUSSCGKSA-N 1 0 379.436 -0.381 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419933348 1072230679 /nfs/dbraw/zinc/23/06/79/1072230679.db2.gz GRCNBGQQTFDJRX-DLBZAZTESA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419933350 1072230600 /nfs/dbraw/zinc/23/06/00/1072230600.db2.gz GRCNBGQQTFDJRX-IAGOWNOFSA-N 1 0 393.532 -0.210 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419933377 1072230558 /nfs/dbraw/zinc/23/05/58/1072230558.db2.gz QNJZXDPTISDMCV-KRWDZBQOSA-N 1 0 378.473 -0.392 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419933380 1072230613 /nfs/dbraw/zinc/23/06/13/1072230613.db2.gz QNJZXDPTISDMCV-QGZVFWFLSA-N 1 0 378.473 -0.392 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419933632 1072231632 /nfs/dbraw/zinc/23/16/32/1072231632.db2.gz FKUYTYUMIDMQED-CVEARBPZSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419933635 1072231730 /nfs/dbraw/zinc/23/17/30/1072231730.db2.gz FKUYTYUMIDMQED-HOTGVXAUSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419933637 1072231701 /nfs/dbraw/zinc/23/17/01/1072231701.db2.gz FKUYTYUMIDMQED-HZPDHXFCSA-N 1 0 381.521 -0.449 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419933640 1072231667 /nfs/dbraw/zinc/23/16/67/1072231667.db2.gz FKUYTYUMIDMQED-JKSUJKDBSA-N 1 0 381.521 -0.449 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000419933721 1072231734 /nfs/dbraw/zinc/23/17/34/1072231734.db2.gz FTAPUXFPYXRXSH-HNNXBMFYSA-N 1 0 381.521 -0.449 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000419933722 1072231525 /nfs/dbraw/zinc/23/15/25/1072231525.db2.gz FTAPUXFPYXRXSH-OAHLLOKOSA-N 1 0 381.521 -0.449 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419933877 1072231726 /nfs/dbraw/zinc/23/17/26/1072231726.db2.gz AYHPOLOUUTWCNM-GFCCVEGCSA-N 1 0 386.449 -0.630 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419933878 1072231238 /nfs/dbraw/zinc/23/12/38/1072231238.db2.gz AYHPOLOUUTWCNM-LBPRGKRZSA-N 1 0 386.449 -0.630 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c(OC)c1 ZINC000419933954 1072231463 /nfs/dbraw/zinc/23/14/63/1072231463.db2.gz BGADCLKIAJHHBA-CYBMUJFWSA-N 1 0 392.456 -0.301 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c(OC)c1 ZINC000419933956 1072231564 /nfs/dbraw/zinc/23/15/64/1072231564.db2.gz BGADCLKIAJHHBA-ZDUSSCGKSA-N 1 0 392.456 -0.301 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934313 1072231688 /nfs/dbraw/zinc/23/16/88/1072231688.db2.gz HHHSZLLNHBHQRR-HZPDHXFCSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934314 1072231359 /nfs/dbraw/zinc/23/13/59/1072231359.db2.gz HHHSZLLNHBHQRR-JKSUJKDBSA-N 1 0 379.505 -0.600 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419934948 1072231549 /nfs/dbraw/zinc/23/15/49/1072231549.db2.gz BZRZPWDQUSMBHU-HNNXBMFYSA-N 1 0 376.457 -0.244 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419934949 1072231537 /nfs/dbraw/zinc/23/15/37/1072231537.db2.gz BZRZPWDQUSMBHU-OAHLLOKOSA-N 1 0 376.457 -0.244 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419935234 1072231640 /nfs/dbraw/zinc/23/16/40/1072231640.db2.gz IOUKMRROWYENAO-HZPDHXFCSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419935236 1072231447 /nfs/dbraw/zinc/23/14/47/1072231447.db2.gz IOUKMRROWYENAO-JKSUJKDBSA-N 1 0 393.532 -0.164 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935512 1072231587 /nfs/dbraw/zinc/23/15/87/1072231587.db2.gz SHCONDZHPFPALU-GDBMZVCRSA-N 1 0 376.457 -0.102 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935513 1072231149 /nfs/dbraw/zinc/23/11/49/1072231149.db2.gz SHCONDZHPFPALU-GOEBONIOSA-N 1 0 376.457 -0.102 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000419935514 1072231611 /nfs/dbraw/zinc/23/16/11/1072231611.db2.gz SHCONDZHPFPALU-HOCLYGCPSA-N 1 0 376.457 -0.102 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000419935515 1072231673 /nfs/dbraw/zinc/23/16/73/1072231673.db2.gz SHCONDZHPFPALU-ZBFHGGJFSA-N 1 0 376.457 -0.102 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419935520 1072231660 /nfs/dbraw/zinc/23/16/60/1072231660.db2.gz JAFPPFVZPNXWBV-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 ZINC000419935741 1072231714 /nfs/dbraw/zinc/23/17/14/1072231714.db2.gz SJXLDUJLOKSGJY-INIZCTEOSA-N 1 0 394.497 -0.171 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 ZINC000419935742 1072231705 /nfs/dbraw/zinc/23/17/05/1072231705.db2.gz SJXLDUJLOKSGJY-MRXNPFEDSA-N 1 0 394.497 -0.171 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419935780 1072231723 /nfs/dbraw/zinc/23/17/23/1072231723.db2.gz SOOXTRVTYLIDES-UHFFFAOYSA-N 1 0 394.497 -0.295 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1c1nccn2cnnc12 ZINC000419936018 1072231313 /nfs/dbraw/zinc/23/13/13/1072231313.db2.gz KHTPZIHTUGRANF-UONOGXRCSA-N 1 0 386.460 -0.580 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1c1nccn2cnnc12 ZINC000419936019 1072231299 /nfs/dbraw/zinc/23/12/99/1072231299.db2.gz KHTPZIHTUGRANF-ZIAGYGMSSA-N 1 0 386.460 -0.580 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419936230 1072231504 /nfs/dbraw/zinc/23/15/04/1072231504.db2.gz KOMYHENXKOGSKR-MRXNPFEDSA-N 1 0 381.521 -0.353 20 0 GBADRO CCOc1ccnc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000419936657 1072231653 /nfs/dbraw/zinc/23/16/53/1072231653.db2.gz LUVNKWBKOOYIDA-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419936772 1072231686 /nfs/dbraw/zinc/23/16/86/1072231686.db2.gz DYJIXCUUEOULGZ-HNNXBMFYSA-N 1 0 378.473 -0.071 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419936774 1072231475 /nfs/dbraw/zinc/23/14/75/1072231475.db2.gz DYJIXCUUEOULGZ-OAHLLOKOSA-N 1 0 378.473 -0.071 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000419937723 1072232278 /nfs/dbraw/zinc/23/22/78/1072232278.db2.gz NZAAQBJIPVNZHE-QGZVFWFLSA-N 1 0 393.532 -0.209 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1C ZINC000419937744 1072232129 /nfs/dbraw/zinc/23/21/29/1072232129.db2.gz GSGLXPRKJCOJAZ-CYBMUJFWSA-N 1 0 396.513 -0.153 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1C ZINC000419937746 1072232296 /nfs/dbraw/zinc/23/22/96/1072232296.db2.gz GSGLXPRKJCOJAZ-ZDUSSCGKSA-N 1 0 396.513 -0.153 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419938018 1072231645 /nfs/dbraw/zinc/23/16/45/1072231645.db2.gz HEZDDPWAPDVONK-HNNXBMFYSA-N 1 0 381.521 -0.367 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419938023 1072232356 /nfs/dbraw/zinc/23/23/56/1072232356.db2.gz HEZDDPWAPDVONK-OAHLLOKOSA-N 1 0 381.521 -0.367 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)[C@H](C)C2)[nH]n1 ZINC000419938046 1072232415 /nfs/dbraw/zinc/23/24/15/1072232415.db2.gz OROUWQCSWICJJR-ZIAGYGMSSA-N 1 0 376.461 -0.351 20 0 GBADRO Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419938124 1072232379 /nfs/dbraw/zinc/23/23/79/1072232379.db2.gz PEVSFRAIDNLJPF-MRXNPFEDSA-N 1 0 376.505 -0.061 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938196 1072231758 /nfs/dbraw/zinc/23/17/58/1072231758.db2.gz WOQIUQPSZLPNJW-CVEARBPZSA-N 1 0 394.497 -0.171 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938198 1072231421 /nfs/dbraw/zinc/23/14/21/1072231421.db2.gz WOQIUQPSZLPNJW-HOTGVXAUSA-N 1 0 394.497 -0.171 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938200 1072231738 /nfs/dbraw/zinc/23/17/38/1072231738.db2.gz WOQIUQPSZLPNJW-HZPDHXFCSA-N 1 0 394.497 -0.171 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000419938202 1072231209 /nfs/dbraw/zinc/23/12/09/1072231209.db2.gz WOQIUQPSZLPNJW-JKSUJKDBSA-N 1 0 394.497 -0.171 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)nc1 ZINC000419938288 1072231486 /nfs/dbraw/zinc/23/14/86/1072231486.db2.gz WTVXRYDKICYJJX-INIZCTEOSA-N 1 0 396.451 -0.355 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)nc1 ZINC000419938289 1072231327 /nfs/dbraw/zinc/23/13/27/1072231327.db2.gz WTVXRYDKICYJJX-MRXNPFEDSA-N 1 0 396.451 -0.355 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000419938310 1072231664 /nfs/dbraw/zinc/23/16/64/1072231664.db2.gz WXSVADNZOVKVQN-INIZCTEOSA-N 1 0 381.521 -0.353 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000419938311 1072231580 /nfs/dbraw/zinc/23/15/80/1072231580.db2.gz WXSVADNZOVKVQN-MRXNPFEDSA-N 1 0 381.521 -0.353 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000419938422 1072232050 /nfs/dbraw/zinc/23/20/50/1072232050.db2.gz PTTBENWGSNWXFB-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419938538 1072232089 /nfs/dbraw/zinc/23/20/89/1072232089.db2.gz WZOJQFMXYIBPAI-RDJZCZTQSA-N 1 0 389.500 -0.139 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419938539 1072232368 /nfs/dbraw/zinc/23/23/68/1072232368.db2.gz WZOJQFMXYIBPAI-WBVHZDCISA-N 1 0 389.500 -0.139 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419938822 1072232335 /nfs/dbraw/zinc/23/23/35/1072232335.db2.gz IIYDPQGEVINOSO-CYBMUJFWSA-N 1 0 379.436 -0.381 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419938823 1072232426 /nfs/dbraw/zinc/23/24/26/1072232426.db2.gz IIYDPQGEVINOSO-ZDUSSCGKSA-N 1 0 379.436 -0.381 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000419942245 1072232407 /nfs/dbraw/zinc/23/24/07/1072232407.db2.gz ZGFWZCWKUCISQR-MRXNPFEDSA-N 1 0 379.505 -0.599 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000419943241 1072232246 /nfs/dbraw/zinc/23/22/46/1072232246.db2.gz GYNWTQNPZOVERS-DZKIICNBSA-N 1 0 382.484 -0.237 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000419943242 1072232436 /nfs/dbraw/zinc/23/24/36/1072232436.db2.gz GYNWTQNPZOVERS-YCPHGPKFSA-N 1 0 382.484 -0.237 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419943984 1072232255 /nfs/dbraw/zinc/23/22/55/1072232255.db2.gz AAPHHNAINXFATK-AWEZNQCLSA-N 1 0 382.486 -0.628 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419943985 1072232038 /nfs/dbraw/zinc/23/20/38/1072232038.db2.gz AAPHHNAINXFATK-CQSZACIVSA-N 1 0 382.486 -0.628 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)nc1 ZINC000419944514 1072232240 /nfs/dbraw/zinc/23/22/40/1072232240.db2.gz BAJXCWRHERQQCO-CYBMUJFWSA-N 1 0 377.445 -0.382 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)nc1 ZINC000419944515 1072232135 /nfs/dbraw/zinc/23/21/35/1072232135.db2.gz BAJXCWRHERQQCO-ZDUSSCGKSA-N 1 0 377.445 -0.382 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1OC ZINC000419944521 1072232430 /nfs/dbraw/zinc/23/24/30/1072232430.db2.gz BCWRRDZBCSXZLI-CYBMUJFWSA-N 1 0 392.456 -0.301 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1OC ZINC000419944522 1072232103 /nfs/dbraw/zinc/23/21/03/1072232103.db2.gz BCWRRDZBCSXZLI-ZDUSSCGKSA-N 1 0 392.456 -0.301 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)n1 ZINC000419945295 1072232363 /nfs/dbraw/zinc/23/23/63/1072232363.db2.gz JPLKFAXXDYGRNT-AWEZNQCLSA-N 1 0 378.477 -0.114 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1OC ZINC000419945299 1072232080 /nfs/dbraw/zinc/23/20/80/1072232080.db2.gz CEZATIDNKDPZEE-CYBMUJFWSA-N 1 0 392.456 -0.301 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)n1 ZINC000419945300 1072232027 /nfs/dbraw/zinc/23/20/27/1072232027.db2.gz JPLKFAXXDYGRNT-CQSZACIVSA-N 1 0 378.477 -0.114 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1OC ZINC000419945301 1072232144 /nfs/dbraw/zinc/23/21/44/1072232144.db2.gz CEZATIDNKDPZEE-ZDUSSCGKSA-N 1 0 392.456 -0.301 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419945358 1072232274 /nfs/dbraw/zinc/23/22/74/1072232274.db2.gz JVVIZTHCJZGFGN-CYBMUJFWSA-N 1 0 394.497 -0.439 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419945360 1072232113 /nfs/dbraw/zinc/23/21/13/1072232113.db2.gz JVVIZTHCJZGFGN-ZDUSSCGKSA-N 1 0 394.497 -0.439 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419945650 1072232120 /nfs/dbraw/zinc/23/21/20/1072232120.db2.gz KJUKDBGXDYDMJI-AWEZNQCLSA-N 1 0 393.463 -0.120 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419945651 1072232291 /nfs/dbraw/zinc/23/22/91/1072232291.db2.gz KJUKDBGXDYDMJI-CQSZACIVSA-N 1 0 393.463 -0.120 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000419947304 1072232267 /nfs/dbraw/zinc/23/22/67/1072232267.db2.gz CGBCQMPXUFBIOQ-INIZCTEOSA-N 1 0 381.521 -0.367 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000419947306 1072232260 /nfs/dbraw/zinc/23/22/60/1072232260.db2.gz CGBCQMPXUFBIOQ-MRXNPFEDSA-N 1 0 381.521 -0.367 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419947984 1072230060 /nfs/dbraw/zinc/23/00/60/1072230060.db2.gz YIYCSZRIVAEKKZ-CYBMUJFWSA-N 1 0 385.472 -0.433 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419947985 1072230041 /nfs/dbraw/zinc/23/00/41/1072230041.db2.gz YIYCSZRIVAEKKZ-ZDUSSCGKSA-N 1 0 385.472 -0.433 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419948220 1072229832 /nfs/dbraw/zinc/22/98/32/1072229832.db2.gz FEIBWHIHMYZQTH-AWEZNQCLSA-N 1 0 397.501 -0.596 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419948223 1072229922 /nfs/dbraw/zinc/22/99/22/1072229922.db2.gz FEIBWHIHMYZQTH-CQSZACIVSA-N 1 0 397.501 -0.596 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419948686 1072229899 /nfs/dbraw/zinc/22/98/99/1072229899.db2.gz KGFWUVVYHRZGAW-DOTOQJQBSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419948689 1072230002 /nfs/dbraw/zinc/23/00/02/1072230002.db2.gz KGFWUVVYHRZGAW-NVXWUHKLSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419948692 1072229741 /nfs/dbraw/zinc/22/97/41/1072229741.db2.gz KGFWUVVYHRZGAW-RDJZCZTQSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419948694 1072229838 /nfs/dbraw/zinc/22/98/38/1072229838.db2.gz KGFWUVVYHRZGAW-WBVHZDCISA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419948923 1072229917 /nfs/dbraw/zinc/22/99/17/1072229917.db2.gz FLJRRQNIKHRNLL-HNNXBMFYSA-N 1 0 387.484 -0.569 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419948926 1072230011 /nfs/dbraw/zinc/23/00/11/1072230011.db2.gz FLJRRQNIKHRNLL-OAHLLOKOSA-N 1 0 387.484 -0.569 20 0 GBADRO COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2=O)cc1 ZINC000419948951 1072229988 /nfs/dbraw/zinc/22/99/88/1072229988.db2.gz FLQIKTPKWVEHFJ-AWEZNQCLSA-N 1 0 376.457 -0.033 20 0 GBADRO COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2=O)cc1 ZINC000419948953 1072229903 /nfs/dbraw/zinc/22/99/03/1072229903.db2.gz FLQIKTPKWVEHFJ-CQSZACIVSA-N 1 0 376.457 -0.033 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419949079 1072230032 /nfs/dbraw/zinc/23/00/32/1072230032.db2.gz GSIHWVSEBBIFRW-INIZCTEOSA-N 1 0 383.537 -0.121 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419949080 1072229942 /nfs/dbraw/zinc/22/99/42/1072229942.db2.gz FPWYQTVPNMCIPQ-AWEZNQCLSA-N 1 0 393.463 -0.589 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419949082 1072229855 /nfs/dbraw/zinc/22/98/55/1072229855.db2.gz FPWYQTVPNMCIPQ-CQSZACIVSA-N 1 0 393.463 -0.589 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419949083 1072229961 /nfs/dbraw/zinc/22/99/61/1072229961.db2.gz GSIHWVSEBBIFRW-MRXNPFEDSA-N 1 0 383.537 -0.121 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000419949437 1072229792 /nfs/dbraw/zinc/22/97/92/1072229792.db2.gz LGOFHGIZTZNMOU-MRXNPFEDSA-N 1 0 393.532 -0.162 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419949646 1072229970 /nfs/dbraw/zinc/22/99/70/1072229970.db2.gz LPJVBXVCFMHSFZ-HNNXBMFYSA-N 1 0 396.513 -0.200 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000419949650 1072229937 /nfs/dbraw/zinc/22/99/37/1072229937.db2.gz LPJVBXVCFMHSFZ-OAHLLOKOSA-N 1 0 396.513 -0.200 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000419950788 1072230725 /nfs/dbraw/zinc/23/07/25/1072230725.db2.gz HTOYJKZQUIDMRQ-ARFHVFGLSA-N 1 0 381.521 -0.464 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419950790 1072230658 /nfs/dbraw/zinc/23/06/58/1072230658.db2.gz HTOYJKZQUIDMRQ-BZUAXINKSA-N 1 0 381.521 -0.464 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419950792 1072230627 /nfs/dbraw/zinc/23/06/27/1072230627.db2.gz HTOYJKZQUIDMRQ-OAGGEKHMSA-N 1 0 381.521 -0.464 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000419950794 1072230575 /nfs/dbraw/zinc/23/05/75/1072230575.db2.gz HTOYJKZQUIDMRQ-XHSDSOJGSA-N 1 0 381.521 -0.464 20 0 GBADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419950927 1072229912 /nfs/dbraw/zinc/22/99/12/1072229912.db2.gz MTBUESNVUJFZKE-HNNXBMFYSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419950928 1072229806 /nfs/dbraw/zinc/22/98/06/1072229806.db2.gz MTBUESNVUJFZKE-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000419951064 1072230023 /nfs/dbraw/zinc/23/00/23/1072230023.db2.gz JEDKMOXDKJEHPZ-CYBMUJFWSA-N 1 0 388.476 -0.499 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000419951067 1072230054 /nfs/dbraw/zinc/23/00/54/1072230054.db2.gz JEDKMOXDKJEHPZ-ZDUSSCGKSA-N 1 0 388.476 -0.499 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419951197 1072230070 /nfs/dbraw/zinc/23/00/70/1072230070.db2.gz IECAPPNZNOZUGU-CYBMUJFWSA-N 1 0 380.420 -0.414 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419951201 1072230051 /nfs/dbraw/zinc/23/00/51/1072230051.db2.gz IECAPPNZNOZUGU-ZDUSSCGKSA-N 1 0 380.420 -0.414 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419951292 1072229862 /nfs/dbraw/zinc/22/98/62/1072229862.db2.gz IJRLAGLSYIIDJH-GFCCVEGCSA-N 1 0 380.470 -0.699 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000419951526 1072230624 /nfs/dbraw/zinc/23/06/24/1072230624.db2.gz JRUPCPXYDCGRSU-KBPBESRZSA-N 1 0 388.476 -0.349 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000419951527 1072230611 /nfs/dbraw/zinc/23/06/11/1072230611.db2.gz JRUPCPXYDCGRSU-KGLIPLIRSA-N 1 0 388.476 -0.349 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000419951528 1072230609 /nfs/dbraw/zinc/23/06/09/1072230609.db2.gz JRUPCPXYDCGRSU-UONOGXRCSA-N 1 0 388.476 -0.349 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000419951530 1072230717 /nfs/dbraw/zinc/23/07/17/1072230717.db2.gz JRUPCPXYDCGRSU-ZIAGYGMSSA-N 1 0 388.476 -0.349 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419951534 1072230538 /nfs/dbraw/zinc/23/05/38/1072230538.db2.gz IJRLAGLSYIIDJH-LBPRGKRZSA-N 1 0 380.470 -0.699 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419951808 1072230548 /nfs/dbraw/zinc/23/05/48/1072230548.db2.gz OBGNZIWAGHFLLZ-AWEZNQCLSA-N 1 0 382.486 -0.509 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419951809 1072230712 /nfs/dbraw/zinc/23/07/12/1072230712.db2.gz OBGNZIWAGHFLLZ-CQSZACIVSA-N 1 0 382.486 -0.509 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000419952676 1072230688 /nfs/dbraw/zinc/23/06/88/1072230688.db2.gz PALUBSMHSSJRCZ-BPUTZDHNSA-N 1 0 382.484 -0.237 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000419952677 1072230590 /nfs/dbraw/zinc/23/05/90/1072230590.db2.gz PALUBSMHSSJRCZ-KBMXLJTQSA-N 1 0 382.484 -0.237 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419953318 1072230629 /nfs/dbraw/zinc/23/06/29/1072230629.db2.gz KXBNMDPIGKPRHG-CYBMUJFWSA-N 1 0 392.456 -0.301 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419953319 1072230762 /nfs/dbraw/zinc/23/07/62/1072230762.db2.gz KXBNMDPIGKPRHG-ZDUSSCGKSA-N 1 0 392.456 -0.301 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419953339 1072230628 /nfs/dbraw/zinc/23/06/28/1072230628.db2.gz KYWDKTAEEIWJLE-HWOWSKLDSA-N 1 0 381.521 -0.464 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419953341 1072230666 /nfs/dbraw/zinc/23/06/66/1072230666.db2.gz KYWDKTAEEIWJLE-PCKAHOCUSA-N 1 0 381.521 -0.464 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000419954789 1072230595 /nfs/dbraw/zinc/23/05/95/1072230595.db2.gz QWEZWSNIQKFNIM-AWEZNQCLSA-N 1 0 384.502 -0.297 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000419954790 1072230682 /nfs/dbraw/zinc/23/06/82/1072230682.db2.gz QWEZWSNIQKFNIM-CQSZACIVSA-N 1 0 384.502 -0.297 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419954865 1072230744 /nfs/dbraw/zinc/23/07/44/1072230744.db2.gz MKIMEXPOTCIOQL-AWEZNQCLSA-N 1 0 382.486 -0.461 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419954867 1072230632 /nfs/dbraw/zinc/23/06/32/1072230632.db2.gz MKIMEXPOTCIOQL-CQSZACIVSA-N 1 0 382.486 -0.461 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000419955258 1072230639 /nfs/dbraw/zinc/23/06/39/1072230639.db2.gz MWYPPJVCKGSDJN-HNNXBMFYSA-N 1 0 375.473 -0.842 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000419955262 1072230693 /nfs/dbraw/zinc/23/06/93/1072230693.db2.gz MWYPPJVCKGSDJN-OAHLLOKOSA-N 1 0 375.473 -0.842 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000419955305 530350070 /nfs/dbraw/zinc/35/00/70/530350070.db2.gz NBRSHQHRNKPXGR-MRVPVSSYSA-N 1 0 380.396 -0.084 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000419955307 530350239 /nfs/dbraw/zinc/35/02/39/530350239.db2.gz NBRSHQHRNKPXGR-QMMMGPOBSA-N 1 0 380.396 -0.084 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419955659 1072230636 /nfs/dbraw/zinc/23/06/36/1072230636.db2.gz NIZFEPNSLZLPTI-AWEZNQCLSA-N 1 0 376.457 -0.381 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419955661 1072230587 /nfs/dbraw/zinc/23/05/87/1072230587.db2.gz NIZFEPNSLZLPTI-CQSZACIVSA-N 1 0 376.457 -0.381 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419955819 1072230756 /nfs/dbraw/zinc/23/07/56/1072230756.db2.gz RWYKZOLSZZJRCN-AQFXKWCLSA-N 1 0 395.548 -0.203 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419955820 1072230524 /nfs/dbraw/zinc/23/05/24/1072230524.db2.gz RWYKZOLSZZJRCN-CGZBRXJRSA-N 1 0 395.548 -0.203 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419956177 1072230730 /nfs/dbraw/zinc/23/07/30/1072230730.db2.gz ABTGFOKZCNHPCI-KRWDZBQOSA-N 1 0 384.521 -0.184 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419956183 1072230698 /nfs/dbraw/zinc/23/06/98/1072230698.db2.gz ABTGFOKZCNHPCI-QGZVFWFLSA-N 1 0 384.521 -0.184 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419957466 1072230509 /nfs/dbraw/zinc/23/05/09/1072230509.db2.gz PLQUZXVAEOITMH-AWEZNQCLSA-N 1 0 391.538 -0.792 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419957470 1072230570 /nfs/dbraw/zinc/23/05/70/1072230570.db2.gz PLQUZXVAEOITMH-CQSZACIVSA-N 1 0 391.538 -0.792 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419958804 1072232829 /nfs/dbraw/zinc/23/28/29/1072232829.db2.gz QPEQNSMVICLVKJ-BZUAXINKSA-N 1 0 381.521 -0.654 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419958811 1072233015 /nfs/dbraw/zinc/23/30/15/1072233015.db2.gz QPEQNSMVICLVKJ-HRCADAONSA-N 1 0 381.521 -0.654 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419958814 1072232907 /nfs/dbraw/zinc/23/29/07/1072232907.db2.gz QPEQNSMVICLVKJ-OWCLPIDISA-N 1 0 381.521 -0.654 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419958817 1072232899 /nfs/dbraw/zinc/23/28/99/1072232899.db2.gz QPEQNSMVICLVKJ-XHSDSOJGSA-N 1 0 381.521 -0.654 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419958933 1072233216 /nfs/dbraw/zinc/23/32/16/1072233216.db2.gz WRUGNZKNAGAWSR-CYBMUJFWSA-N 1 0 386.460 -0.730 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419958936 1072232879 /nfs/dbraw/zinc/23/28/79/1072232879.db2.gz WRUGNZKNAGAWSR-ZDUSSCGKSA-N 1 0 386.460 -0.730 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)nc1 ZINC000419959098 1072233164 /nfs/dbraw/zinc/23/31/64/1072233164.db2.gz VMMJMIWWFUBEKM-AWEZNQCLSA-N 1 0 391.472 -0.121 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)nc1 ZINC000419959099 1072233136 /nfs/dbraw/zinc/23/31/36/1072233136.db2.gz VMMJMIWWFUBEKM-CQSZACIVSA-N 1 0 391.472 -0.121 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000419959557 1072233209 /nfs/dbraw/zinc/23/32/09/1072233209.db2.gz VOIAADZXYWNZLB-DLBZAZTESA-N 1 0 392.500 -0.458 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000419959561 1072233190 /nfs/dbraw/zinc/23/31/90/1072233190.db2.gz VOIAADZXYWNZLB-IAGOWNOFSA-N 1 0 392.500 -0.458 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000419959564 1072233150 /nfs/dbraw/zinc/23/31/50/1072233150.db2.gz VOIAADZXYWNZLB-IRXDYDNUSA-N 1 0 392.500 -0.458 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000419959567 1072233106 /nfs/dbraw/zinc/23/31/06/1072233106.db2.gz VOIAADZXYWNZLB-SJORKVTESA-N 1 0 392.500 -0.458 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419959609 1072233309 /nfs/dbraw/zinc/23/33/09/1072233309.db2.gz VQDCHDUQNXDVJK-BBWFWOEESA-N 1 0 395.548 -0.393 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419959610 1072233283 /nfs/dbraw/zinc/23/32/83/1072233283.db2.gz VQDCHDUQNXDVJK-IXDOHACOSA-N 1 0 395.548 -0.393 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419959614 1072232891 /nfs/dbraw/zinc/23/28/91/1072232891.db2.gz VQDCHDUQNXDVJK-ULQDDVLXSA-N 1 0 395.548 -0.393 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419959619 1072233169 /nfs/dbraw/zinc/23/31/69/1072233169.db2.gz VQDCHDUQNXDVJK-ZACQAIPSSA-N 1 0 395.548 -0.393 20 0 GBADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419959673 1072232926 /nfs/dbraw/zinc/23/29/26/1072232926.db2.gz XHLNMKUUMJEKRT-AWEZNQCLSA-N 1 0 395.485 -0.827 20 0 GBADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000419959676 1072232913 /nfs/dbraw/zinc/23/29/13/1072232913.db2.gz XHLNMKUUMJEKRT-CQSZACIVSA-N 1 0 395.485 -0.827 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419960151 1072233259 /nfs/dbraw/zinc/23/32/59/1072233259.db2.gz SDGOFGCOWGRZBZ-CYBMUJFWSA-N 1 0 398.485 -0.761 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419960156 1072232864 /nfs/dbraw/zinc/23/28/64/1072232864.db2.gz SDGOFGCOWGRZBZ-ZDUSSCGKSA-N 1 0 398.485 -0.761 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419960195 1072232803 /nfs/dbraw/zinc/23/28/03/1072232803.db2.gz SFXJZDYKHHVQDT-BMFZPTHFSA-N 1 0 386.452 -0.126 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000419960198 1072233240 /nfs/dbraw/zinc/23/32/40/1072233240.db2.gz SFXJZDYKHHVQDT-IMJJTQAJSA-N 1 0 386.452 -0.126 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC000419960316 1072233200 /nfs/dbraw/zinc/23/32/00/1072233200.db2.gz XWLXIOLAVRYSIP-CHWSQXEVSA-N 1 0 378.433 -0.514 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC000419960317 1072232941 /nfs/dbraw/zinc/23/29/41/1072232941.db2.gz XWLXIOLAVRYSIP-OLZOCXBDSA-N 1 0 378.433 -0.514 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC000419960318 1072233001 /nfs/dbraw/zinc/23/30/01/1072233001.db2.gz XWLXIOLAVRYSIP-QWHCGFSZSA-N 1 0 378.433 -0.514 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC000419960319 1072232816 /nfs/dbraw/zinc/23/28/16/1072232816.db2.gz XWLXIOLAVRYSIP-STQMWFEESA-N 1 0 378.433 -0.514 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[C@H](C)C2)[nH]n1 ZINC000419960388 1072232846 /nfs/dbraw/zinc/23/28/46/1072232846.db2.gz RNZYNGXLSHYMKI-KGLIPLIRSA-N 1 0 378.477 -0.119 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)[C@H](C)C2)[nH]n1 ZINC000419960389 1072233069 /nfs/dbraw/zinc/23/30/69/1072233069.db2.gz RNZYNGXLSHYMKI-ZIAGYGMSSA-N 1 0 378.477 -0.119 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419960639 1072233098 /nfs/dbraw/zinc/23/30/98/1072233098.db2.gz WOLPJIALAAYBKM-INIZCTEOSA-N 1 0 395.548 -0.107 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419960641 1072232984 /nfs/dbraw/zinc/23/29/84/1072232984.db2.gz WOLPJIALAAYBKM-MRXNPFEDSA-N 1 0 395.548 -0.107 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000419960879 1072233118 /nfs/dbraw/zinc/23/31/18/1072233118.db2.gz RXWRMWJMZPCIAB-KRWDZBQOSA-N 1 0 395.548 -0.121 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000419960880 1072232952 /nfs/dbraw/zinc/23/29/52/1072232952.db2.gz RXWRMWJMZPCIAB-QGZVFWFLSA-N 1 0 395.548 -0.121 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419961055 1072233089 /nfs/dbraw/zinc/23/30/89/1072233089.db2.gz FRCUQAFOAHDLEK-DZGCQCFKSA-N 1 0 388.534 -0.202 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419961058 1072232842 /nfs/dbraw/zinc/23/28/42/1072232842.db2.gz FRCUQAFOAHDLEK-HIFRSBDPSA-N 1 0 388.534 -0.202 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419961061 1072233059 /nfs/dbraw/zinc/23/30/59/1072233059.db2.gz FRCUQAFOAHDLEK-UKRRQHHQSA-N 1 0 388.534 -0.202 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419961065 1072232973 /nfs/dbraw/zinc/23/29/73/1072232973.db2.gz FRCUQAFOAHDLEK-ZFWWWQNUSA-N 1 0 388.534 -0.202 20 0 GBADRO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419961371 1072233232 /nfs/dbraw/zinc/23/32/32/1072233232.db2.gz YRYYXQFLQAAXBI-UHFFFAOYSA-N 1 0 394.859 -0.275 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419961490 1072232859 /nfs/dbraw/zinc/23/28/59/1072232859.db2.gz UDSCGECFWUNMCG-DOTOQJQBSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419961495 1072233249 /nfs/dbraw/zinc/23/32/49/1072233249.db2.gz UDSCGECFWUNMCG-NVXWUHKLSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419961499 1072233771 /nfs/dbraw/zinc/23/37/71/1072233771.db2.gz UDSCGECFWUNMCG-RDJZCZTQSA-N 1 0 387.484 -0.353 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000419961502 1072233644 /nfs/dbraw/zinc/23/36/44/1072233644.db2.gz UDSCGECFWUNMCG-WBVHZDCISA-N 1 0 387.484 -0.353 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419961659 1072233591 /nfs/dbraw/zinc/23/35/91/1072233591.db2.gz GDRNNBVTRJWSIA-CABCVRRESA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419961663 1072233656 /nfs/dbraw/zinc/23/36/56/1072233656.db2.gz GDRNNBVTRJWSIA-GJZGRUSLSA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419961666 1072233651 /nfs/dbraw/zinc/23/36/51/1072233651.db2.gz GDRNNBVTRJWSIA-HUUCEWRRSA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419961670 1072233740 /nfs/dbraw/zinc/23/37/40/1072233740.db2.gz GDRNNBVTRJWSIA-LSDHHAIUSA-N 1 0 388.534 -0.061 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH3+])C2=O)c1 ZINC000419961726 1072233659 /nfs/dbraw/zinc/23/36/59/1072233659.db2.gz UHTSYRUJTIHCBN-BLLLJJGKSA-N 1 0 392.456 -0.022 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C[NH3+])C2=O)c1 ZINC000419961730 1072233683 /nfs/dbraw/zinc/23/36/83/1072233683.db2.gz UHTSYRUJTIHCBN-LRDDRELGSA-N 1 0 392.456 -0.022 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH3+])C2=O)c1 ZINC000419961734 1072233623 /nfs/dbraw/zinc/23/36/23/1072233623.db2.gz UHTSYRUJTIHCBN-MLGOLLRUSA-N 1 0 392.456 -0.022 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C[NH3+])C2=O)c1 ZINC000419961738 1072233757 /nfs/dbraw/zinc/23/37/57/1072233757.db2.gz UHTSYRUJTIHCBN-WBMJQRKESA-N 1 0 392.456 -0.022 20 0 GBADRO COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000419961765 1072233762 /nfs/dbraw/zinc/23/37/62/1072233762.db2.gz GFVFGUJGZMMRBV-KBPBESRZSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000419961770 1072234011 /nfs/dbraw/zinc/23/40/11/1072234011.db2.gz GFVFGUJGZMMRBV-KGLIPLIRSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000419961773 1072233935 /nfs/dbraw/zinc/23/39/35/1072233935.db2.gz GFVFGUJGZMMRBV-UONOGXRCSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)nn1 ZINC000419961775 1072233608 /nfs/dbraw/zinc/23/36/08/1072233608.db2.gz GFVFGUJGZMMRBV-ZIAGYGMSSA-N 1 0 392.460 -0.138 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419961854 1072233876 /nfs/dbraw/zinc/23/38/76/1072233876.db2.gz XMQRGLVHQNHYRR-AWEZNQCLSA-N 1 0 399.499 -0.172 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419961855 1072233919 /nfs/dbraw/zinc/23/39/19/1072233919.db2.gz XMQRGLVHQNHYRR-CQSZACIVSA-N 1 0 399.499 -0.172 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419962147 1072233981 /nfs/dbraw/zinc/23/39/81/1072233981.db2.gz ZIFAVJDNIUDMPD-INIZCTEOSA-N 1 0 381.521 -0.353 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419962150 1072233940 /nfs/dbraw/zinc/23/39/40/1072233940.db2.gz ZIFAVJDNIUDMPD-MRXNPFEDSA-N 1 0 381.521 -0.353 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000419962593 1072233695 /nfs/dbraw/zinc/23/36/95/1072233695.db2.gz YAWIKNUDLDLRDV-INIZCTEOSA-N 1 0 381.521 -0.495 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000419962607 1072233826 /nfs/dbraw/zinc/23/38/26/1072233826.db2.gz YAWIKNUDLDLRDV-MRXNPFEDSA-N 1 0 381.521 -0.495 20 0 GBADRO CCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419963241 1072233723 /nfs/dbraw/zinc/23/37/23/1072233723.db2.gz HLDUSFMXTXCFJZ-HNNXBMFYSA-N 1 0 388.534 -0.060 20 0 GBADRO CCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419963242 1072233782 /nfs/dbraw/zinc/23/37/82/1072233782.db2.gz HLDUSFMXTXCFJZ-OAHLLOKOSA-N 1 0 388.534 -0.060 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419963388 1072233689 /nfs/dbraw/zinc/23/36/89/1072233689.db2.gz YUGKRRLCLGNIFJ-AWEZNQCLSA-N 1 0 393.463 -0.120 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419963391 1072233732 /nfs/dbraw/zinc/23/37/32/1072233732.db2.gz YUGKRRLCLGNIFJ-CQSZACIVSA-N 1 0 393.463 -0.120 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419963453 1072233961 /nfs/dbraw/zinc/23/39/61/1072233961.db2.gz WEVDJEBQAZXCCH-CHWSQXEVSA-N 1 0 388.424 -0.779 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419963455 1072233614 /nfs/dbraw/zinc/23/36/14/1072233614.db2.gz WEVDJEBQAZXCCH-OLZOCXBDSA-N 1 0 388.424 -0.779 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419963457 1072233891 /nfs/dbraw/zinc/23/38/91/1072233891.db2.gz WEVDJEBQAZXCCH-QWHCGFSZSA-N 1 0 388.424 -0.779 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419963459 1072233748 /nfs/dbraw/zinc/23/37/48/1072233748.db2.gz WEVDJEBQAZXCCH-STQMWFEESA-N 1 0 388.424 -0.779 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000419964070 1072233668 /nfs/dbraw/zinc/23/36/68/1072233668.db2.gz ZVPFASFJOQPCDC-CVEARBPZSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000419964071 1072233718 /nfs/dbraw/zinc/23/37/18/1072233718.db2.gz ZVPFASFJOQPCDC-HOTGVXAUSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000419964072 1072233899 /nfs/dbraw/zinc/23/38/99/1072233899.db2.gz ZVPFASFJOQPCDC-HZPDHXFCSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000419964073 1072233904 /nfs/dbraw/zinc/23/39/04/1072233904.db2.gz ZVPFASFJOQPCDC-JKSUJKDBSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419964384 1072233860 /nfs/dbraw/zinc/23/38/60/1072233860.db2.gz FVWUNTMAYOFSGM-AWEZNQCLSA-N 1 0 394.447 -0.153 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000419964385 1072233632 /nfs/dbraw/zinc/23/36/32/1072233632.db2.gz FVWUNTMAYOFSGM-CQSZACIVSA-N 1 0 394.447 -0.153 20 0 GBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)c1=O ZINC000419964578 1072233639 /nfs/dbraw/zinc/23/36/39/1072233639.db2.gz IWEJEWKLDYSPTO-HNNXBMFYSA-N 1 0 390.488 -0.547 20 0 GBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)c1=O ZINC000419964582 1072234018 /nfs/dbraw/zinc/23/40/18/1072234018.db2.gz IWEJEWKLDYSPTO-OAHLLOKOSA-N 1 0 390.488 -0.547 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419964833 1072233884 /nfs/dbraw/zinc/23/38/84/1072233884.db2.gz XMRLUVXYZBYVQA-AWEZNQCLSA-N 1 0 391.472 -0.511 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419964834 1072233814 /nfs/dbraw/zinc/23/38/14/1072233814.db2.gz XMRLUVXYZBYVQA-CQSZACIVSA-N 1 0 391.472 -0.511 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000419965068 1072233971 /nfs/dbraw/zinc/23/39/71/1072233971.db2.gz GLNYYKSWVRQWMU-INIZCTEOSA-N 1 0 389.500 -0.581 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000419965072 1072233799 /nfs/dbraw/zinc/23/37/99/1072233799.db2.gz GLNYYKSWVRQWMU-MRXNPFEDSA-N 1 0 389.500 -0.581 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419965282 1072233627 /nfs/dbraw/zinc/23/36/27/1072233627.db2.gz YDVXUDFOYOBUFU-AWEZNQCLSA-N 1 0 396.513 -0.153 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419965283 1072233852 /nfs/dbraw/zinc/23/38/52/1072233852.db2.gz YDVXUDFOYOBUFU-CQSZACIVSA-N 1 0 396.513 -0.153 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419965618 1072234348 /nfs/dbraw/zinc/23/43/48/1072234348.db2.gz YJKCHGJDVVLGGU-AWEZNQCLSA-N 1 0 382.486 -0.379 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419965619 1072234582 /nfs/dbraw/zinc/23/45/82/1072234582.db2.gz YJKCHGJDVVLGGU-CQSZACIVSA-N 1 0 382.486 -0.379 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)s1 ZINC000419965953 1072234480 /nfs/dbraw/zinc/23/44/80/1072234480.db2.gz ZBVVPMDJKGPRTR-LLVKDONJSA-N 1 0 383.474 -0.321 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)s1 ZINC000419965954 1072234419 /nfs/dbraw/zinc/23/44/19/1072234419.db2.gz ZBVVPMDJKGPRTR-NSHDSACASA-N 1 0 383.474 -0.321 20 0 GBADRO COc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)ccc1C ZINC000419965988 1072234556 /nfs/dbraw/zinc/23/45/56/1072234556.db2.gz ZEHJLQHIYHNKLS-CYBMUJFWSA-N 1 0 376.457 -0.001 20 0 GBADRO COc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)ccc1C ZINC000419965991 1072234615 /nfs/dbraw/zinc/23/46/15/1072234615.db2.gz ZEHJLQHIYHNKLS-ZDUSSCGKSA-N 1 0 376.457 -0.001 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419966323 530350301 /nfs/dbraw/zinc/35/03/01/530350301.db2.gz YIDGOSVKJROEGC-AWEZNQCLSA-N 1 0 376.523 -0.204 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419966324 530350007 /nfs/dbraw/zinc/35/00/07/530350007.db2.gz YIDGOSVKJROEGC-CQSZACIVSA-N 1 0 376.523 -0.204 20 0 GBADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419966439 1072234634 /nfs/dbraw/zinc/23/46/34/1072234634.db2.gz ZSYANPWNTNKPGS-GFCCVEGCSA-N 1 0 376.413 -0.589 20 0 GBADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419966441 1072234553 /nfs/dbraw/zinc/23/45/53/1072234553.db2.gz ZSYANPWNTNKPGS-LBPRGKRZSA-N 1 0 376.413 -0.589 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)C2)nn1 ZINC000419966657 1072234673 /nfs/dbraw/zinc/23/46/73/1072234673.db2.gz YWGAOOFXVHCDLZ-CHWSQXEVSA-N 1 0 380.449 -0.282 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)C2)nn1 ZINC000419966658 1072234451 /nfs/dbraw/zinc/23/44/51/1072234451.db2.gz YWGAOOFXVHCDLZ-OLZOCXBDSA-N 1 0 380.449 -0.282 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C2)nn1 ZINC000419966659 1072234644 /nfs/dbraw/zinc/23/46/44/1072234644.db2.gz YWGAOOFXVHCDLZ-QWHCGFSZSA-N 1 0 380.449 -0.282 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C2)nn1 ZINC000419966660 1072234668 /nfs/dbraw/zinc/23/46/68/1072234668.db2.gz YWGAOOFXVHCDLZ-STQMWFEESA-N 1 0 380.449 -0.282 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419966691 1072234445 /nfs/dbraw/zinc/23/44/45/1072234445.db2.gz LSKYTPKBBOYBCN-PBHICJAKSA-N 1 0 393.532 -0.179 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419966692 1072234436 /nfs/dbraw/zinc/23/44/36/1072234436.db2.gz LSKYTPKBBOYBCN-RHSMWYFYSA-N 1 0 393.532 -0.179 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419966693 1072234410 /nfs/dbraw/zinc/23/44/10/1072234410.db2.gz LSKYTPKBBOYBCN-WMLDXEAASA-N 1 0 393.532 -0.179 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419966694 1072234573 /nfs/dbraw/zinc/23/45/73/1072234573.db2.gz LSKYTPKBBOYBCN-YOEHRIQHSA-N 1 0 393.532 -0.179 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000419967004 1072234369 /nfs/dbraw/zinc/23/43/69/1072234369.db2.gz ZNMSFHNKDIKDDD-AWEZNQCLSA-N 1 0 376.461 -0.681 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000419967005 1072234593 /nfs/dbraw/zinc/23/45/93/1072234593.db2.gz ZNMSFHNKDIKDDD-CQSZACIVSA-N 1 0 376.461 -0.681 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000419968246 1072234354 /nfs/dbraw/zinc/23/43/54/1072234354.db2.gz CXHYFLGNGMSNGA-CVEARBPZSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000419968249 1072234340 /nfs/dbraw/zinc/23/43/40/1072234340.db2.gz CXHYFLGNGMSNGA-HOTGVXAUSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000419968251 1072234570 /nfs/dbraw/zinc/23/45/70/1072234570.db2.gz CXHYFLGNGMSNGA-HZPDHXFCSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000419968253 1072234691 /nfs/dbraw/zinc/23/46/91/1072234691.db2.gz CXHYFLGNGMSNGA-JKSUJKDBSA-N 1 0 381.521 -0.369 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419968579 1072234378 /nfs/dbraw/zinc/23/43/78/1072234378.db2.gz QHIIRUFBAQWPNL-DJIMGWMZSA-N 1 0 385.505 -0.117 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419968582 1072234638 /nfs/dbraw/zinc/23/46/38/1072234638.db2.gz QHIIRUFBAQWPNL-OIISXLGYSA-N 1 0 385.505 -0.117 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419968584 1072234471 /nfs/dbraw/zinc/23/44/71/1072234471.db2.gz QHIIRUFBAQWPNL-UAGQMJEPSA-N 1 0 385.505 -0.117 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419968586 1072234682 /nfs/dbraw/zinc/23/46/82/1072234682.db2.gz QHIIRUFBAQWPNL-USXIJHARSA-N 1 0 385.505 -0.117 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000419969652 1072234461 /nfs/dbraw/zinc/23/44/61/1072234461.db2.gz AJLGVMICCZIUNP-INIZCTEOSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000419969653 1072234598 /nfs/dbraw/zinc/23/45/98/1072234598.db2.gz AJLGVMICCZIUNP-MRXNPFEDSA-N 1 0 396.513 -0.073 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419969877 1072234576 /nfs/dbraw/zinc/23/45/76/1072234576.db2.gz DBJQUPCEZGYUOJ-BBWFWOEESA-N 1 0 395.548 -0.265 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419969879 1072234514 /nfs/dbraw/zinc/23/45/14/1072234514.db2.gz DBJQUPCEZGYUOJ-BRWVUGGUSA-N 1 0 395.548 -0.265 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419969880 1072234388 /nfs/dbraw/zinc/23/43/88/1072234388.db2.gz DBJQUPCEZGYUOJ-IXDOHACOSA-N 1 0 395.548 -0.265 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419969882 1072234364 /nfs/dbraw/zinc/23/43/64/1072234364.db2.gz DBJQUPCEZGYUOJ-ZACQAIPSSA-N 1 0 395.548 -0.265 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000419969986 1072234505 /nfs/dbraw/zinc/23/45/05/1072234505.db2.gz TWBOKFNEZKYZIY-JXFKEZNVSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000419969987 1072234567 /nfs/dbraw/zinc/23/45/67/1072234567.db2.gz TWBOKFNEZKYZIY-OXJNMPFZSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000419969988 1072234547 /nfs/dbraw/zinc/23/45/47/1072234547.db2.gz TWBOKFNEZKYZIY-OXQOHEQNSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000419969989 1072234416 /nfs/dbraw/zinc/23/44/16/1072234416.db2.gz TWBOKFNEZKYZIY-UZLBHIALSA-N 1 0 394.516 -0.014 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970033 1072234400 /nfs/dbraw/zinc/23/44/00/1072234400.db2.gz UANBAJVQQOTTDP-INIZCTEOSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970034 1072234485 /nfs/dbraw/zinc/23/44/85/1072234485.db2.gz UANBAJVQQOTTDP-MRXNPFEDSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000419970167 1072234541 /nfs/dbraw/zinc/23/45/41/1072234541.db2.gz DESWACGJVCGUQI-INIZCTEOSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000419970169 1072234429 /nfs/dbraw/zinc/23/44/29/1072234429.db2.gz DESWACGJVCGUQI-MRXNPFEDSA-N 1 0 381.521 -0.321 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CCCCC1 ZINC000419970344 1072234587 /nfs/dbraw/zinc/23/45/87/1072234587.db2.gz UOWTUDGCLOZXCZ-INIZCTEOSA-N 1 0 379.505 -0.567 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C1CCCCC1 ZINC000419970345 1072234499 /nfs/dbraw/zinc/23/44/99/1072234499.db2.gz UOWTUDGCLOZXCZ-MRXNPFEDSA-N 1 0 379.505 -0.567 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000419970967 1072234392 /nfs/dbraw/zinc/23/43/92/1072234392.db2.gz CPUQBTFFHPBYIQ-CVEARBPZSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000419970968 1072234490 /nfs/dbraw/zinc/23/44/90/1072234490.db2.gz CPUQBTFFHPBYIQ-HOTGVXAUSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000419970969 1072234562 /nfs/dbraw/zinc/23/45/62/1072234562.db2.gz CPUQBTFFHPBYIQ-HZPDHXFCSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000419970970 1072235298 /nfs/dbraw/zinc/23/52/98/1072235298.db2.gz CPUQBTFFHPBYIQ-JKSUJKDBSA-N 1 0 381.521 -0.369 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2=O)cn1 ZINC000419971785 1072235307 /nfs/dbraw/zinc/23/53/07/1072235307.db2.gz XHJJLCFVMJFQLY-HNNXBMFYSA-N 1 0 376.461 -0.381 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2=O)cn1 ZINC000419971786 1072235457 /nfs/dbraw/zinc/23/54/57/1072235457.db2.gz XHJJLCFVMJFQLY-OAHLLOKOSA-N 1 0 376.461 -0.381 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000419972362 1072235513 /nfs/dbraw/zinc/23/55/13/1072235513.db2.gz YITPAVNFAVFRAW-KRWDZBQOSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000419972363 1072235569 /nfs/dbraw/zinc/23/55/69/1072235569.db2.gz YITPAVNFAVFRAW-QGZVFWFLSA-N 1 0 393.532 -0.223 20 0 GBADRO Nc1nsc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000419972365 1072235201 /nfs/dbraw/zinc/23/52/01/1072235201.db2.gz YJBHGPNQEKLTHG-GFCCVEGCSA-N 1 0 381.506 -0.207 20 0 GBADRO Nc1nsc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000419972366 1072235191 /nfs/dbraw/zinc/23/51/91/1072235191.db2.gz YJBHGPNQEKLTHG-LBPRGKRZSA-N 1 0 381.506 -0.207 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C[C@H]2CO)cn1 ZINC000419972551 1072235436 /nfs/dbraw/zinc/23/54/36/1072235436.db2.gz ZCLNDRGDECGGCP-ULQDDVLXSA-N 1 0 377.489 -0.022 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C[C@H]2CO)cn1 ZINC000419972553 1072235464 /nfs/dbraw/zinc/23/54/64/1072235464.db2.gz ZCLNDRGDECGGCP-YESZJQIVSA-N 1 0 377.489 -0.022 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000419973737 1072235385 /nfs/dbraw/zinc/23/53/85/1072235385.db2.gz IFRUTAJWKNRCOG-INIZCTEOSA-N 1 0 379.505 -0.741 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000419973738 1072235332 /nfs/dbraw/zinc/23/53/32/1072235332.db2.gz IFRUTAJWKNRCOG-MRXNPFEDSA-N 1 0 379.505 -0.741 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419974039 1072235152 /nfs/dbraw/zinc/23/51/52/1072235152.db2.gz IUTKENYUWCSJLJ-KRWDZBQOSA-N 1 0 395.548 -0.105 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419974040 1072235369 /nfs/dbraw/zinc/23/53/69/1072235369.db2.gz IUTKENYUWCSJLJ-QGZVFWFLSA-N 1 0 395.548 -0.105 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419974629 1072235038 /nfs/dbraw/zinc/23/50/38/1072235038.db2.gz JVHHWDCCIHPXFJ-IKGGRYGDSA-N 1 0 395.548 -0.203 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419974630 1072235244 /nfs/dbraw/zinc/23/52/44/1072235244.db2.gz JVHHWDCCIHPXFJ-IXDOHACOSA-N 1 0 395.548 -0.203 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000419974632 1072235142 /nfs/dbraw/zinc/23/51/42/1072235142.db2.gz JVHHWDCCIHPXFJ-ULQDDVLXSA-N 1 0 395.548 -0.203 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000419974634 1072235424 /nfs/dbraw/zinc/23/54/24/1072235424.db2.gz JVHHWDCCIHPXFJ-YESZJQIVSA-N 1 0 395.548 -0.203 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974937 1072235393 /nfs/dbraw/zinc/23/53/93/1072235393.db2.gz JFQSBRIEDSMBCB-HNNXBMFYSA-N 1 0 395.504 -0.794 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974939 1072235602 /nfs/dbraw/zinc/23/56/02/1072235602.db2.gz JFQSBRIEDSMBCB-OAHLLOKOSA-N 1 0 395.504 -0.794 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000419975366 1072235558 /nfs/dbraw/zinc/23/55/58/1072235558.db2.gz KIXHHOVIPLTLMF-HNNXBMFYSA-N 1 0 375.473 -0.259 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000419975367 1072235473 /nfs/dbraw/zinc/23/54/73/1072235473.db2.gz KIXHHOVIPLTLMF-OAHLLOKOSA-N 1 0 375.473 -0.259 20 0 GBADRO Cc1c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000419975491 1072235507 /nfs/dbraw/zinc/23/55/07/1072235507.db2.gz AKTVORKCTAVZLN-GOSISDBHSA-N 1 0 377.445 -0.627 20 0 GBADRO Cc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000419975502 1072235050 /nfs/dbraw/zinc/23/50/50/1072235050.db2.gz AKTVORKCTAVZLN-SFHVURJKSA-N 1 0 377.445 -0.627 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000419975836 1072235418 /nfs/dbraw/zinc/23/54/18/1072235418.db2.gz LDSCXPITYKYMCP-KRWDZBQOSA-N 1 0 393.532 -0.351 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000419975837 1072235403 /nfs/dbraw/zinc/23/54/03/1072235403.db2.gz LDSCXPITYKYMCP-QGZVFWFLSA-N 1 0 393.532 -0.351 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000419975985 1072235499 /nfs/dbraw/zinc/23/54/99/1072235499.db2.gz KSXZKKRJOTWFGZ-HNNXBMFYSA-N 1 0 375.473 -0.076 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000419975987 1072235234 /nfs/dbraw/zinc/23/52/34/1072235234.db2.gz KSXZKKRJOTWFGZ-OAHLLOKOSA-N 1 0 375.473 -0.076 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000419976311 1072235275 /nfs/dbraw/zinc/23/52/75/1072235275.db2.gz LNLPWLQLXHGUGE-AWEZNQCLSA-N 1 0 376.457 -0.049 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000419976319 1072235614 /nfs/dbraw/zinc/23/56/14/1072235614.db2.gz LNLPWLQLXHGUGE-CQSZACIVSA-N 1 0 376.457 -0.049 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419976698 1072235561 /nfs/dbraw/zinc/23/55/61/1072235561.db2.gz MIVPOEJGBHXOLS-HNNXBMFYSA-N 1 0 399.499 -0.044 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419977091 1072235430 /nfs/dbraw/zinc/23/54/30/1072235430.db2.gz MJSFAGVWPNVYLQ-CABCVRRESA-N 1 0 388.534 -0.187 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419977094 1072235411 /nfs/dbraw/zinc/23/54/11/1072235411.db2.gz MJSFAGVWPNVYLQ-GJZGRUSLSA-N 1 0 388.534 -0.187 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419977099 1072235292 /nfs/dbraw/zinc/23/52/92/1072235292.db2.gz MJSFAGVWPNVYLQ-HUUCEWRRSA-N 1 0 388.534 -0.187 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419977102 1072235257 /nfs/dbraw/zinc/23/52/57/1072235257.db2.gz MJSFAGVWPNVYLQ-LSDHHAIUSA-N 1 0 388.534 -0.187 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000419977701 1072235547 /nfs/dbraw/zinc/23/55/47/1072235547.db2.gz NAJUMBCDVDSMDF-AWEZNQCLSA-N 1 0 376.457 -0.049 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000419977704 1072235576 /nfs/dbraw/zinc/23/55/76/1072235576.db2.gz NAJUMBCDVDSMDF-CQSZACIVSA-N 1 0 376.457 -0.049 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000419978520 1072236065 /nfs/dbraw/zinc/23/60/65/1072236065.db2.gz OFPMMVSNHIVZEQ-AWEZNQCLSA-N 1 0 376.461 -0.360 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000419978521 1072236222 /nfs/dbraw/zinc/23/62/22/1072236222.db2.gz OFPMMVSNHIVZEQ-CQSZACIVSA-N 1 0 376.461 -0.360 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000419978807 530349982 /nfs/dbraw/zinc/34/99/82/530349982.db2.gz OQMPZRAYFNUSEG-KBPBESRZSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000419978811 530350203 /nfs/dbraw/zinc/35/02/03/530350203.db2.gz OQMPZRAYFNUSEG-KGLIPLIRSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000419978815 530350292 /nfs/dbraw/zinc/35/02/92/530350292.db2.gz OQMPZRAYFNUSEG-UONOGXRCSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000419978817 530349965 /nfs/dbraw/zinc/34/99/65/530349965.db2.gz OQMPZRAYFNUSEG-ZIAGYGMSSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000419979023 1072236186 /nfs/dbraw/zinc/23/61/86/1072236186.db2.gz PAULJHRAOGGUQE-CYBMUJFWSA-N 1 0 376.461 -0.681 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000419979024 1072236045 /nfs/dbraw/zinc/23/60/45/1072236045.db2.gz PAULJHRAOGGUQE-ZDUSSCGKSA-N 1 0 376.461 -0.681 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000419980409 1072236208 /nfs/dbraw/zinc/23/62/08/1072236208.db2.gz RRKAHYFRXGJVDJ-DZGCQCFKSA-N 1 0 378.477 -0.417 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000419980410 1072236244 /nfs/dbraw/zinc/23/62/44/1072236244.db2.gz RRKAHYFRXGJVDJ-ZFWWWQNUSA-N 1 0 378.477 -0.417 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419980487 1072236077 /nfs/dbraw/zinc/23/60/77/1072236077.db2.gz QYWRTWUERMGORW-CYBMUJFWSA-N 1 0 390.440 -0.329 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419980488 1072236094 /nfs/dbraw/zinc/23/60/94/1072236094.db2.gz QYWRTWUERMGORW-ZDUSSCGKSA-N 1 0 390.440 -0.329 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980925 1072235960 /nfs/dbraw/zinc/23/59/60/1072235960.db2.gz SOIVRTWUNVVCAW-INIZCTEOSA-N 1 0 381.521 -0.367 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980926 1072235924 /nfs/dbraw/zinc/23/59/24/1072235924.db2.gz SOIVRTWUNVVCAW-MRXNPFEDSA-N 1 0 381.521 -0.367 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419981106 1072236074 /nfs/dbraw/zinc/23/60/74/1072236074.db2.gz RSUVORSPHQCCKY-HNNXBMFYSA-N 1 0 396.513 -0.368 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419981107 1072235997 /nfs/dbraw/zinc/23/59/97/1072235997.db2.gz RSUVORSPHQCCKY-OAHLLOKOSA-N 1 0 396.513 -0.368 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000419981336 1072236227 /nfs/dbraw/zinc/23/62/27/1072236227.db2.gz RUMHBOQSVDQHMF-INIZCTEOSA-N 1 0 381.521 -0.367 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000419981338 1072236195 /nfs/dbraw/zinc/23/61/95/1072236195.db2.gz RUMHBOQSVDQHMF-MRXNPFEDSA-N 1 0 381.521 -0.367 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1C ZINC000419981536 1072236120 /nfs/dbraw/zinc/23/61/20/1072236120.db2.gz ADIRTCPFPFQVHF-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1C ZINC000419981537 1072236117 /nfs/dbraw/zinc/23/61/17/1072236117.db2.gz ADIRTCPFPFQVHF-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)s1 ZINC000419981605 1072236012 /nfs/dbraw/zinc/23/60/12/1072236012.db2.gz ALCOYMICPZYUGS-LLVKDONJSA-N 1 0 383.474 -0.178 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)s1 ZINC000419981607 1072235946 /nfs/dbraw/zinc/23/59/46/1072235946.db2.gz ALCOYMICPZYUGS-NSHDSACASA-N 1 0 383.474 -0.178 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000419981832 1072236087 /nfs/dbraw/zinc/23/60/87/1072236087.db2.gz SGZOXNIQKRHRSR-BPUTZDHNSA-N 1 0 382.484 -0.110 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000419981836 1072236201 /nfs/dbraw/zinc/23/62/01/1072236201.db2.gz SGZOXNIQKRHRSR-CWRNSKLLSA-N 1 0 382.484 -0.110 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419982115 1072236106 /nfs/dbraw/zinc/23/61/06/1072236106.db2.gz SRYQJTHVTKIJNE-AWEZNQCLSA-N 1 0 376.461 -0.360 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000419982116 1072236142 /nfs/dbraw/zinc/23/61/42/1072236142.db2.gz SRYQJTHVTKIJNE-CQSZACIVSA-N 1 0 376.461 -0.360 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000419982582 1072236138 /nfs/dbraw/zinc/23/61/38/1072236138.db2.gz VRSYLJPWRSEAMY-CVEARBPZSA-N 1 0 380.489 -0.140 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000419982583 1072235916 /nfs/dbraw/zinc/23/59/16/1072235916.db2.gz VRSYLJPWRSEAMY-HOTGVXAUSA-N 1 0 380.489 -0.140 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000419982584 1072236050 /nfs/dbraw/zinc/23/60/50/1072236050.db2.gz VRSYLJPWRSEAMY-HZPDHXFCSA-N 1 0 380.489 -0.140 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000419982585 1072236022 /nfs/dbraw/zinc/23/60/22/1072236022.db2.gz VRSYLJPWRSEAMY-JKSUJKDBSA-N 1 0 380.489 -0.140 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c(OC)c1 ZINC000419982739 1072236149 /nfs/dbraw/zinc/23/61/49/1072236149.db2.gz BLLMKMKVQVMHQT-CYBMUJFWSA-N 1 0 392.456 -0.158 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c(OC)c1 ZINC000419982741 1072236236 /nfs/dbraw/zinc/23/62/36/1072236236.db2.gz BLLMKMKVQVMHQT-ZDUSSCGKSA-N 1 0 392.456 -0.158 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)[C@H](C)C2)[nH]n1 ZINC000419982822 1072236101 /nfs/dbraw/zinc/23/61/01/1072236101.db2.gz UABNYATUOKLFGC-CABCVRRESA-N 1 0 390.488 -0.103 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)[C@H](C)C2)[nH]n1 ZINC000419982825 1072236188 /nfs/dbraw/zinc/23/61/88/1072236188.db2.gz UABNYATUOKLFGC-HUUCEWRRSA-N 1 0 390.488 -0.103 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419983653 1072235900 /nfs/dbraw/zinc/23/59/00/1072235900.db2.gz CMSWNBNZTBJZFA-GFCCVEGCSA-N 1 0 386.449 -0.488 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419983655 1072236180 /nfs/dbraw/zinc/23/61/80/1072236180.db2.gz CMSWNBNZTBJZFA-LBPRGKRZSA-N 1 0 386.449 -0.488 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419983656 1072236037 /nfs/dbraw/zinc/23/60/37/1072236037.db2.gz CNDBGXKXMOIMNM-HNNXBMFYSA-N 1 0 376.457 -0.102 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419983657 1072236164 /nfs/dbraw/zinc/23/61/64/1072236164.db2.gz CNDBGXKXMOIMNM-OAHLLOKOSA-N 1 0 376.457 -0.102 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000419985213 1072236158 /nfs/dbraw/zinc/23/61/58/1072236158.db2.gz WMAZDQNKYHSKTC-CABCVRRESA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000419985217 1072236168 /nfs/dbraw/zinc/23/61/68/1072236168.db2.gz WMAZDQNKYHSKTC-GJZGRUSLSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000419985219 1072235974 /nfs/dbraw/zinc/23/59/74/1072235974.db2.gz WMAZDQNKYHSKTC-HUUCEWRRSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000419985221 1072236216 /nfs/dbraw/zinc/23/62/16/1072236216.db2.gz WMAZDQNKYHSKTC-LSDHHAIUSA-N 1 0 381.521 -0.450 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419985286 1072232009 /nfs/dbraw/zinc/23/20/09/1072232009.db2.gz ARBPTPJVEBQNSY-AWEZNQCLSA-N 1 0 393.463 -0.447 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000419985287 1072232312 /nfs/dbraw/zinc/23/23/12/1072232312.db2.gz ARBPTPJVEBQNSY-CQSZACIVSA-N 1 0 393.463 -0.447 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419985300 1072232301 /nfs/dbraw/zinc/23/23/01/1072232301.db2.gz ASLUXJBOHVVURQ-CYBMUJFWSA-N 1 0 397.501 -0.903 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419985301 1072233180 /nfs/dbraw/zinc/23/31/80/1072233180.db2.gz ASLUXJBOHVVURQ-ZDUSSCGKSA-N 1 0 397.501 -0.903 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419985391 1072235987 /nfs/dbraw/zinc/23/59/87/1072235987.db2.gz FBPZFCODUZMZAG-AWEZNQCLSA-N 1 0 382.486 -0.486 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419985392 1072236122 /nfs/dbraw/zinc/23/61/22/1072236122.db2.gz FBPZFCODUZMZAG-CQSZACIVSA-N 1 0 382.486 -0.486 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419985920 1072237011 /nfs/dbraw/zinc/23/70/11/1072237011.db2.gz FOCVFTQRECILOG-AWEZNQCLSA-N 1 0 389.522 -0.895 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000419985921 1072236560 /nfs/dbraw/zinc/23/65/60/1072236560.db2.gz FOCVFTQRECILOG-CQSZACIVSA-N 1 0 389.522 -0.895 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419986532 1072236643 /nfs/dbraw/zinc/23/66/43/1072236643.db2.gz XMDCEJGZISMYLE-INIZCTEOSA-N 1 0 381.521 -0.495 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419986533 1072236893 /nfs/dbraw/zinc/23/68/93/1072236893.db2.gz XMDCEJGZISMYLE-MRXNPFEDSA-N 1 0 381.521 -0.495 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000419986795 1072236918 /nfs/dbraw/zinc/23/69/18/1072236918.db2.gz GETUDNOSHWIETC-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000419986797 1072237024 /nfs/dbraw/zinc/23/70/24/1072237024.db2.gz GETUDNOSHWIETC-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000419987712 1072236846 /nfs/dbraw/zinc/23/68/46/1072236846.db2.gz GZQLVVGCTQJWEZ-KRWDZBQOSA-N 1 0 385.486 -0.014 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000419987713 1072236632 /nfs/dbraw/zinc/23/66/32/1072236632.db2.gz GZQLVVGCTQJWEZ-QGZVFWFLSA-N 1 0 385.486 -0.014 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419987905 1072236880 /nfs/dbraw/zinc/23/68/80/1072236880.db2.gz FCDKQVMFIUZDAF-HWOWSKLDSA-N 1 0 381.521 -0.321 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000419987908 1072236964 /nfs/dbraw/zinc/23/69/64/1072236964.db2.gz FCDKQVMFIUZDAF-PCKAHOCUSA-N 1 0 381.521 -0.321 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1OC ZINC000419987930 1072236928 /nfs/dbraw/zinc/23/69/28/1072236928.db2.gz FDDBRNTWLOPDMY-CYBMUJFWSA-N 1 0 392.456 -0.158 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419987934 1072236830 /nfs/dbraw/zinc/23/68/30/1072236830.db2.gz HGZPLYNLUXOUPF-CYBMUJFWSA-N 1 0 398.485 -0.618 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419987936 1072237002 /nfs/dbraw/zinc/23/70/02/1072237002.db2.gz HGZPLYNLUXOUPF-ZDUSSCGKSA-N 1 0 398.485 -0.618 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1OC ZINC000419987937 1072236807 /nfs/dbraw/zinc/23/68/07/1072236807.db2.gz FDDBRNTWLOPDMY-ZDUSSCGKSA-N 1 0 392.456 -0.158 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419987941 1072236885 /nfs/dbraw/zinc/23/68/85/1072236885.db2.gz FDSPWUZUGKLEII-BZUAXINKSA-N 1 0 381.521 -0.321 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419987943 1072236983 /nfs/dbraw/zinc/23/69/83/1072236983.db2.gz FDSPWUZUGKLEII-OAGGEKHMSA-N 1 0 381.521 -0.321 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000419987945 1072236860 /nfs/dbraw/zinc/23/68/60/1072236860.db2.gz FDSPWUZUGKLEII-OWCLPIDISA-N 1 0 381.521 -0.321 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000419987947 1072236665 /nfs/dbraw/zinc/23/66/65/1072236665.db2.gz FDSPWUZUGKLEII-PMPSAXMXSA-N 1 0 381.521 -0.321 20 0 GBADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000419988239 1072236696 /nfs/dbraw/zinc/23/66/96/1072236696.db2.gz ZJDSBWRTFUYTBI-CYBMUJFWSA-N 1 0 382.486 -0.234 20 0 GBADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000419988243 1072236773 /nfs/dbraw/zinc/23/67/73/1072236773.db2.gz ZJDSBWRTFUYTBI-ZDUSSCGKSA-N 1 0 382.486 -0.234 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419989356 1072236761 /nfs/dbraw/zinc/23/67/61/1072236761.db2.gz IVDDEHXJYPGGJZ-CYBMUJFWSA-N 1 0 379.436 -0.238 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000419989357 1072236956 /nfs/dbraw/zinc/23/69/56/1072236956.db2.gz IVDDEHXJYPGGJZ-ZDUSSCGKSA-N 1 0 379.436 -0.238 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419989394 1072236935 /nfs/dbraw/zinc/23/69/35/1072236935.db2.gz IZRDFCHQKNLTTA-HNNXBMFYSA-N 1 0 381.521 -0.225 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000419989395 1072236733 /nfs/dbraw/zinc/23/67/33/1072236733.db2.gz IZRDFCHQKNLTTA-OAHLLOKOSA-N 1 0 381.521 -0.225 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1OC ZINC000419989957 1072236797 /nfs/dbraw/zinc/23/67/97/1072236797.db2.gz HDKOORRPQHQITC-GFCCVEGCSA-N 1 0 378.429 -0.548 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419990768 1072236571 /nfs/dbraw/zinc/23/65/71/1072236571.db2.gz HXHHMXIFSQEACF-HNNXBMFYSA-N 1 0 387.484 -0.427 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000419990769 1072236548 /nfs/dbraw/zinc/23/65/48/1072236548.db2.gz HXHHMXIFSQEACF-OAHLLOKOSA-N 1 0 387.484 -0.427 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000419990804 1072237031 /nfs/dbraw/zinc/23/70/31/1072237031.db2.gz AEBPQJWHNLAHPG-LLVKDONJSA-N 1 0 378.458 -0.094 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000419990979 1072236906 /nfs/dbraw/zinc/23/69/06/1072236906.db2.gz ASUUDJAGILMRIH-GFCCVEGCSA-N 1 0 381.864 -0.114 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000419992354 1072236839 /nfs/dbraw/zinc/23/68/39/1072236839.db2.gz CDMXTIWHMZGCOV-GFCCVEGCSA-N 1 0 396.469 -0.815 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419992432 1072236992 /nfs/dbraw/zinc/23/69/92/1072236992.db2.gz CNTVINYVLSSYKE-CABCVRRESA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419992434 1072236972 /nfs/dbraw/zinc/23/69/72/1072236972.db2.gz CNTVINYVLSSYKE-HUUCEWRRSA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000419992635 1072236600 /nfs/dbraw/zinc/23/66/00/1072236600.db2.gz FSTYVZZQFAMHPI-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000419992638 1072236818 /nfs/dbraw/zinc/23/68/18/1072236818.db2.gz FSTYVZZQFAMHPI-OAHLLOKOSA-N 1 0 396.513 -0.010 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419992789 1072236585 /nfs/dbraw/zinc/23/65/85/1072236585.db2.gz HXBQMLAEOGPCDK-INIZCTEOSA-N 1 0 396.513 -0.240 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000419992791 1072236787 /nfs/dbraw/zinc/23/67/87/1072236787.db2.gz HXBQMLAEOGPCDK-MRXNPFEDSA-N 1 0 396.513 -0.240 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419993174 1072236677 /nfs/dbraw/zinc/23/66/77/1072236677.db2.gz DNAYHWADXKKAFM-OAHLLOKOSA-N 1 0 376.457 -0.184 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000419993747 1072237810 /nfs/dbraw/zinc/23/78/10/1072237810.db2.gz FYVXMXJBIHWCQC-SNVBAGLBSA-N 1 0 390.412 -0.739 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419994001 1072237722 /nfs/dbraw/zinc/23/77/22/1072237722.db2.gz IXVDSZYNYVBBAS-HNNXBMFYSA-N 1 0 382.486 -0.381 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419994004 1072237847 /nfs/dbraw/zinc/23/78/47/1072237847.db2.gz IXVDSZYNYVBBAS-OAHLLOKOSA-N 1 0 382.486 -0.381 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419994370 1072237368 /nfs/dbraw/zinc/23/73/68/1072237368.db2.gz LIIXBKPFLDTUTG-AWEZNQCLSA-N 1 0 391.538 -0.649 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419994374 1072237802 /nfs/dbraw/zinc/23/78/02/1072237802.db2.gz LIIXBKPFLDTUTG-CQSZACIVSA-N 1 0 391.538 -0.649 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000419994675 530350172 /nfs/dbraw/zinc/35/01/72/530350172.db2.gz GWZUXNKRAQOAJR-SECBINFHSA-N 1 0 394.906 -0.302 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000419994721 1072237366 /nfs/dbraw/zinc/23/73/66/1072237366.db2.gz HGFHCAACBLGWDR-GFCCVEGCSA-N 1 0 386.449 -0.488 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419994776 1072237341 /nfs/dbraw/zinc/23/73/41/1072237341.db2.gz LRUFWEPMMXYBTM-CHWSQXEVSA-N 1 0 388.424 -0.637 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419994781 1072237680 /nfs/dbraw/zinc/23/76/80/1072237680.db2.gz LRUFWEPMMXYBTM-OLZOCXBDSA-N 1 0 388.424 -0.637 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419994784 1072237411 /nfs/dbraw/zinc/23/74/11/1072237411.db2.gz LRUFWEPMMXYBTM-QWHCGFSZSA-N 1 0 388.424 -0.637 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000419994788 1072237792 /nfs/dbraw/zinc/23/77/92/1072237792.db2.gz LRUFWEPMMXYBTM-STQMWFEESA-N 1 0 388.424 -0.637 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419995008 1072237837 /nfs/dbraw/zinc/23/78/37/1072237837.db2.gz JVBGWXZSGBNMIK-HNNXBMFYSA-N 1 0 394.497 -0.311 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419995012 1072237823 /nfs/dbraw/zinc/23/78/23/1072237823.db2.gz JVBGWXZSGBNMIK-OAHLLOKOSA-N 1 0 394.497 -0.311 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000419995611 530350124 /nfs/dbraw/zinc/35/01/24/530350124.db2.gz IIWMHZNRFKQBLW-LLVKDONJSA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000419996058 1072237668 /nfs/dbraw/zinc/23/76/68/1072237668.db2.gz MXQJHDYHDFNKJY-OAHLLOKOSA-N 1 0 387.484 -0.427 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419996719 1072237574 /nfs/dbraw/zinc/23/75/74/1072237574.db2.gz NRJRIAXMQFTSLQ-GFCCVEGCSA-N 1 0 376.413 -0.447 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419996720 1072237708 /nfs/dbraw/zinc/23/77/08/1072237708.db2.gz NRJRIAXMQFTSLQ-LBPRGKRZSA-N 1 0 376.413 -0.447 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000419997303 1072237785 /nfs/dbraw/zinc/23/77/85/1072237785.db2.gz OHNMKJIVSWCBAA-CHWSQXEVSA-N 1 0 379.436 -0.240 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000419997305 1072237457 /nfs/dbraw/zinc/23/74/57/1072237457.db2.gz OHNMKJIVSWCBAA-OLZOCXBDSA-N 1 0 379.436 -0.240 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C(=O)c1cnn(C)c1 ZINC000419997654 1072237755 /nfs/dbraw/zinc/23/77/55/1072237755.db2.gz KGTJFTUPVBFDNB-DZGCQCFKSA-N 1 0 376.461 -0.649 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C(=O)c1cnn(C)c1 ZINC000419997657 1072237537 /nfs/dbraw/zinc/23/75/37/1072237537.db2.gz KGTJFTUPVBFDNB-ZFWWWQNUSA-N 1 0 376.461 -0.649 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419997879 1072237467 /nfs/dbraw/zinc/23/74/67/1072237467.db2.gz QBAHIZFGKAXFHQ-CYBMUJFWSA-N 1 0 379.436 -0.238 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000419997881 1072237741 /nfs/dbraw/zinc/23/77/41/1072237741.db2.gz QBAHIZFGKAXFHQ-ZDUSSCGKSA-N 1 0 379.436 -0.238 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419998454 1072237382 /nfs/dbraw/zinc/23/73/82/1072237382.db2.gz QPLQCPSYHUTHKO-GFCCVEGCSA-N 1 0 380.470 -0.557 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000419998460 1072237417 /nfs/dbraw/zinc/23/74/17/1072237417.db2.gz QPLQCPSYHUTHKO-LBPRGKRZSA-N 1 0 380.470 -0.557 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419998893 1072237510 /nfs/dbraw/zinc/23/75/10/1072237510.db2.gz NQGDJAOETHDWOR-AWEZNQCLSA-N 1 0 390.440 -0.201 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000419998894 1072237634 /nfs/dbraw/zinc/23/76/34/1072237634.db2.gz NQGDJAOETHDWOR-CQSZACIVSA-N 1 0 390.440 -0.201 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1 ZINC000419999930 1072237492 /nfs/dbraw/zinc/23/74/92/1072237492.db2.gz SPMLLSUJMWSCSQ-KRWDZBQOSA-N 1 0 385.486 -0.014 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)CC[NH+](C)C)cc1 ZINC000419999932 1072238424 /nfs/dbraw/zinc/23/84/24/1072238424.db2.gz SPMLLSUJMWSCSQ-QGZVFWFLSA-N 1 0 385.486 -0.014 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000419999999 1072238599 /nfs/dbraw/zinc/23/85/99/1072238599.db2.gz STTCBFPUWPEQRP-ZDUSSCGKSA-N 1 0 385.472 -0.290 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000420000008 1072238426 /nfs/dbraw/zinc/23/84/26/1072238426.db2.gz SUTIMMBXKJRETP-AWEZNQCLSA-N 1 0 382.486 -0.319 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000420000009 1072238286 /nfs/dbraw/zinc/23/82/86/1072238286.db2.gz SUTIMMBXKJRETP-CQSZACIVSA-N 1 0 382.486 -0.319 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420000164 1072237733 /nfs/dbraw/zinc/23/77/33/1072237733.db2.gz NSYICFBHGAWESL-ARFHVFGLSA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420000165 1072237361 /nfs/dbraw/zinc/23/73/61/1072237361.db2.gz NSYICFBHGAWESL-BZUAXINKSA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420000166 1072237556 /nfs/dbraw/zinc/23/75/56/1072237556.db2.gz NSYICFBHGAWESL-HRCADAONSA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420000167 1072237329 /nfs/dbraw/zinc/23/73/29/1072237329.db2.gz NSYICFBHGAWESL-OWCLPIDISA-N 1 0 382.505 -0.118 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420002391 1072238554 /nfs/dbraw/zinc/23/85/54/1072238554.db2.gz RKFMWGTYNUOJOO-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420002392 1072238425 /nfs/dbraw/zinc/23/84/25/1072238425.db2.gz RKFMWGTYNUOJOO-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420002393 1072238421 /nfs/dbraw/zinc/23/84/21/1072238421.db2.gz RKFMWGTYNUOJOO-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420002394 1072238269 /nfs/dbraw/zinc/23/82/69/1072238269.db2.gz RKFMWGTYNUOJOO-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000420002611 1072238519 /nfs/dbraw/zinc/23/85/19/1072238519.db2.gz WWDUCUOLXQAYFT-BZUAXINKSA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000420002612 1072238187 /nfs/dbraw/zinc/23/81/87/1072238187.db2.gz WWDUCUOLXQAYFT-OAGGEKHMSA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000420002614 1072238280 /nfs/dbraw/zinc/23/82/80/1072238280.db2.gz WWDUCUOLXQAYFT-OWCLPIDISA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000420002616 1072238464 /nfs/dbraw/zinc/23/84/64/1072238464.db2.gz WWDUCUOLXQAYFT-XHSDSOJGSA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420003194 1072238237 /nfs/dbraw/zinc/23/82/37/1072238237.db2.gz XJYONYPBIRQXRA-DOTOQJQBSA-N 1 0 387.484 -0.210 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420003196 1072238324 /nfs/dbraw/zinc/23/83/24/1072238324.db2.gz XJYONYPBIRQXRA-NVXWUHKLSA-N 1 0 387.484 -0.210 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420003199 1072238435 /nfs/dbraw/zinc/23/84/35/1072238435.db2.gz XJYONYPBIRQXRA-RDJZCZTQSA-N 1 0 387.484 -0.210 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420003201 1072238481 /nfs/dbraw/zinc/23/84/81/1072238481.db2.gz XJYONYPBIRQXRA-WBVHZDCISA-N 1 0 387.484 -0.210 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000420003735 1072238336 /nfs/dbraw/zinc/23/83/36/1072238336.db2.gz VOOBKAKGWBCUJU-JCYILVPMSA-N 1 0 395.548 -0.075 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000420003736 1072238162 /nfs/dbraw/zinc/23/81/62/1072238162.db2.gz VOOBKAKGWBCUJU-OFLPRAFFSA-N 1 0 395.548 -0.075 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000420004218 1072238316 /nfs/dbraw/zinc/23/83/16/1072238316.db2.gz AEBPQJWHNLAHPG-NSHDSACASA-N 1 0 378.458 -0.094 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000420004341 1072238276 /nfs/dbraw/zinc/23/82/76/1072238276.db2.gz AQJSVUZEQDEZAF-AWEZNQCLSA-N 1 0 376.457 -0.238 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000420004342 1072238199 /nfs/dbraw/zinc/23/81/99/1072238199.db2.gz AQJSVUZEQDEZAF-CQSZACIVSA-N 1 0 376.457 -0.238 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420004411 1072238307 /nfs/dbraw/zinc/23/83/07/1072238307.db2.gz VGQBICZWOMONHY-HNNXBMFYSA-N 1 0 387.484 -0.060 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420004413 1072238566 /nfs/dbraw/zinc/23/85/66/1072238566.db2.gz VGQBICZWOMONHY-OAHLLOKOSA-N 1 0 387.484 -0.060 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000420004595 1072238474 /nfs/dbraw/zinc/23/84/74/1072238474.db2.gz ASUUDJAGILMRIH-LBPRGKRZSA-N 1 0 381.864 -0.114 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420005097 1072238439 /nfs/dbraw/zinc/23/84/39/1072238439.db2.gz OREUZXXSLYSMTB-AWEZNQCLSA-N 1 0 382.486 -0.237 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420005098 1072238491 /nfs/dbraw/zinc/23/84/91/1072238491.db2.gz OREUZXXSLYSMTB-CQSZACIVSA-N 1 0 382.486 -0.237 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420006663 1072238384 /nfs/dbraw/zinc/23/83/84/1072238384.db2.gz YNUZHISKILXADJ-CYBMUJFWSA-N 1 0 386.518 -0.435 20 0 GBADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420006665 1072239298 /nfs/dbraw/zinc/23/92/98/1072239298.db2.gz YNUZHISKILXADJ-ZDUSSCGKSA-N 1 0 386.518 -0.435 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000420006716 530350025 /nfs/dbraw/zinc/35/00/25/530350025.db2.gz RGYULRWIDMIVHN-LLVKDONJSA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000420006755 1072239154 /nfs/dbraw/zinc/23/91/54/1072239154.db2.gz RLOQDTPYDKSGHI-HNNXBMFYSA-N 1 0 375.473 -0.700 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000420006756 1072238851 /nfs/dbraw/zinc/23/88/51/1072238851.db2.gz RLOQDTPYDKSGHI-OAHLLOKOSA-N 1 0 375.473 -0.700 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000420006790 1072238214 /nfs/dbraw/zinc/23/82/14/1072238214.db2.gz ZQBAAQULSZSDBW-HNNXBMFYSA-N 1 0 384.502 -0.169 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000420006793 1072238422 /nfs/dbraw/zinc/23/84/22/1072238422.db2.gz ZQBAAQULSZSDBW-OAHLLOKOSA-N 1 0 384.502 -0.169 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1OC ZINC000420007084 1072238502 /nfs/dbraw/zinc/23/85/02/1072238502.db2.gz RYYKRHRKICKXSI-CYBMUJFWSA-N 1 0 392.456 -0.158 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1OC ZINC000420007085 1072238589 /nfs/dbraw/zinc/23/85/89/1072238589.db2.gz RYYKRHRKICKXSI-ZDUSSCGKSA-N 1 0 392.456 -0.158 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420007186 1072238427 /nfs/dbraw/zinc/23/84/27/1072238427.db2.gz ZCMOQLWUNVKELR-CABCVRRESA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420007187 1072238228 /nfs/dbraw/zinc/23/82/28/1072238228.db2.gz ZCMOQLWUNVKELR-GJZGRUSLSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420007188 1072238350 /nfs/dbraw/zinc/23/83/50/1072238350.db2.gz ZCMOQLWUNVKELR-HUUCEWRRSA-N 1 0 379.505 -0.696 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420007189 1072238546 /nfs/dbraw/zinc/23/85/46/1072238546.db2.gz ZCMOQLWUNVKELR-LSDHHAIUSA-N 1 0 379.505 -0.696 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000420007204 1072238219 /nfs/dbraw/zinc/23/82/19/1072238219.db2.gz ZDNYUKPQASNXAK-KRWDZBQOSA-N 1 0 393.532 -0.162 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000420007205 1072238394 /nfs/dbraw/zinc/23/83/94/1072238394.db2.gz ZDNYUKPQASNXAK-QGZVFWFLSA-N 1 0 393.532 -0.162 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)nc1 ZINC000420008098 1072239287 /nfs/dbraw/zinc/23/92/87/1072239287.db2.gz TYYZDUZPXDDVGS-CYBMUJFWSA-N 1 0 377.445 -0.240 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)nc1 ZINC000420008101 1072239327 /nfs/dbraw/zinc/23/93/27/1072239327.db2.gz TYYZDUZPXDDVGS-ZDUSSCGKSA-N 1 0 377.445 -0.240 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000420008802 1072239090 /nfs/dbraw/zinc/23/90/90/1072239090.db2.gz UWQDPKDGXUEMAG-CQSZACIVSA-N 1 0 396.513 -0.065 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000420009103 1072239133 /nfs/dbraw/zinc/23/91/33/1072239133.db2.gz VJUATWHCZYNKHM-CYBMUJFWSA-N 1 0 392.456 -0.158 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000420009105 1072239178 /nfs/dbraw/zinc/23/91/78/1072239178.db2.gz VJUATWHCZYNKHM-ZDUSSCGKSA-N 1 0 392.456 -0.158 20 0 GBADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000420009973 1072239250 /nfs/dbraw/zinc/23/92/50/1072239250.db2.gz WVLUPDLCFSEKDB-CYBMUJFWSA-N 1 0 380.420 -0.271 20 0 GBADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000420009975 1072239331 /nfs/dbraw/zinc/23/93/31/1072239331.db2.gz WVLUPDLCFSEKDB-ZDUSSCGKSA-N 1 0 380.420 -0.271 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000420010466 1072238866 /nfs/dbraw/zinc/23/88/66/1072238866.db2.gz XOSUCPIORZCDPR-AWEZNQCLSA-N 1 0 391.472 -0.369 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000420010467 1072239022 /nfs/dbraw/zinc/23/90/22/1072239022.db2.gz XOSUCPIORZCDPR-CQSZACIVSA-N 1 0 391.472 -0.369 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000420010734 1072236747 /nfs/dbraw/zinc/23/67/47/1072236747.db2.gz XVGWKPSIZSBZKW-CYBMUJFWSA-N 1 0 389.522 -0.897 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420010935 1072239238 /nfs/dbraw/zinc/23/92/38/1072239238.db2.gz GCGUPXKDMVTIQJ-DLBZAZTESA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420010938 1072239306 /nfs/dbraw/zinc/23/93/06/1072239306.db2.gz GCGUPXKDMVTIQJ-IAGOWNOFSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420010941 1072239122 /nfs/dbraw/zinc/23/91/22/1072239122.db2.gz GCGUPXKDMVTIQJ-IRXDYDNUSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420010944 1072239079 /nfs/dbraw/zinc/23/90/79/1072239079.db2.gz GCGUPXKDMVTIQJ-SJORKVTESA-N 1 0 393.532 -0.223 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1OC ZINC000420011582 1072237776 /nfs/dbraw/zinc/23/77/76/1072237776.db2.gz HDKOORRPQHQITC-LBPRGKRZSA-N 1 0 378.429 -0.548 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000420011600 1072237764 /nfs/dbraw/zinc/23/77/64/1072237764.db2.gz ZDBGECLDAQCQOG-CYBMUJFWSA-N 1 0 379.436 -0.837 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000420011686 1072242716 /nfs/dbraw/zinc/24/27/16/1072242716.db2.gz IFPQPORFVYOLSV-BRWVUGGUSA-N 1 0 395.548 -0.075 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000420011687 1072242521 /nfs/dbraw/zinc/24/25/21/1072242521.db2.gz IFPQPORFVYOLSV-IKGGRYGDSA-N 1 0 395.548 -0.075 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000420011688 1072242689 /nfs/dbraw/zinc/24/26/89/1072242689.db2.gz IFPQPORFVYOLSV-IXDOHACOSA-N 1 0 395.548 -0.075 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000420011689 1072242824 /nfs/dbraw/zinc/24/28/24/1072242824.db2.gz IFPQPORFVYOLSV-ZACQAIPSSA-N 1 0 395.548 -0.075 20 0 GBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)CC1 ZINC000420011807 1072242864 /nfs/dbraw/zinc/24/28/64/1072242864.db2.gz IMSBKNXIVWDZCF-KRWDZBQOSA-N 1 0 395.548 -0.121 20 0 GBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)CC1 ZINC000420011810 1072242831 /nfs/dbraw/zinc/24/28/31/1072242831.db2.gz IMSBKNXIVWDZCF-QGZVFWFLSA-N 1 0 395.548 -0.121 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000420011891 1072242583 /nfs/dbraw/zinc/24/25/83/1072242583.db2.gz HGFHCAACBLGWDR-LBPRGKRZSA-N 1 0 386.449 -0.488 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420012065 1072242655 /nfs/dbraw/zinc/24/26/55/1072242655.db2.gz ZUKWSLBFSWTRIR-HIFRSBDPSA-N 1 0 394.497 -0.167 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420012066 1072242698 /nfs/dbraw/zinc/24/26/98/1072242698.db2.gz ZUKWSLBFSWTRIR-UKRRQHHQSA-N 1 0 394.497 -0.167 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420012810 1072242899 /nfs/dbraw/zinc/24/28/99/1072242899.db2.gz JVMOQUQIHINNNN-OAHLLOKOSA-N 1 0 375.473 -0.150 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000420013403 1072242845 /nfs/dbraw/zinc/24/28/45/1072242845.db2.gz KZHXUVCJEWUKMD-GFCCVEGCSA-N 1 0 378.429 -0.548 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000420013648 1072242532 /nfs/dbraw/zinc/24/25/32/1072242532.db2.gz LTDQKSVRISKZFN-GFCCVEGCSA-N 1 0 381.864 -0.114 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c(OC)c1 ZINC000420013677 1072242664 /nfs/dbraw/zinc/24/26/64/1072242664.db2.gz LXZKZGRPMGJFCH-GFCCVEGCSA-N 1 0 378.429 -0.548 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000420014087 1072242810 /nfs/dbraw/zinc/24/28/10/1072242810.db2.gz MYZVFZORHQTAAD-CQSZACIVSA-N 1 0 391.472 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420014465 1072242682 /nfs/dbraw/zinc/24/26/82/1072242682.db2.gz KGMICBMUPUSQFY-ARFHVFGLSA-N 1 0 381.521 -0.321 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420014466 1072242797 /nfs/dbraw/zinc/24/27/97/1072242797.db2.gz KGMICBMUPUSQFY-HRCADAONSA-N 1 0 381.521 -0.321 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420014467 1072242758 /nfs/dbraw/zinc/24/27/58/1072242758.db2.gz KGMICBMUPUSQFY-JYJNAYRXSA-N 1 0 381.521 -0.321 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420014468 1072242671 /nfs/dbraw/zinc/24/26/71/1072242671.db2.gz KGMICBMUPUSQFY-XHSDSOJGSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000420014616 1072242880 /nfs/dbraw/zinc/24/28/80/1072242880.db2.gz KQQHDIVHIFFJMW-INIZCTEOSA-N 1 0 375.473 -0.131 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000420014617 1072242731 /nfs/dbraw/zinc/24/27/31/1072242731.db2.gz KQQHDIVHIFFJMW-MRXNPFEDSA-N 1 0 375.473 -0.131 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000420015079 1072242501 /nfs/dbraw/zinc/24/25/01/1072242501.db2.gz KZHXUVCJEWUKMD-LBPRGKRZSA-N 1 0 378.429 -0.548 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000420015183 1072242627 /nfs/dbraw/zinc/24/26/27/1072242627.db2.gz PRFMWPZSBURRTL-CYBMUJFWSA-N 1 0 398.485 -0.618 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420015311 1072242723 /nfs/dbraw/zinc/24/27/23/1072242723.db2.gz LUZSTSNESODGEU-DZGCQCFKSA-N 1 0 395.485 -0.842 20 0 GBADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420015312 1072242552 /nfs/dbraw/zinc/24/25/52/1072242552.db2.gz LUZSTSNESODGEU-HIFRSBDPSA-N 1 0 395.485 -0.842 20 0 GBADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420015513 1072242803 /nfs/dbraw/zinc/24/28/03/1072242803.db2.gz LUZSTSNESODGEU-UKRRQHHQSA-N 1 0 395.485 -0.842 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420015514 1072242483 /nfs/dbraw/zinc/24/24/83/1072242483.db2.gz LUZSTSNESODGEU-ZFWWWQNUSA-N 1 0 395.485 -0.842 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420015757 1072242511 /nfs/dbraw/zinc/24/25/11/1072242511.db2.gz REDSILBWRYYRPO-CQSZACIVSA-N 1 0 375.473 -0.205 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000420016313 1072242694 /nfs/dbraw/zinc/24/26/94/1072242694.db2.gz RXPFMCMNYQAWLH-DGCLKSJQSA-N 1 0 386.449 -0.442 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000420016314 1072242649 /nfs/dbraw/zinc/24/26/49/1072242649.db2.gz RXPFMCMNYQAWLH-YPMHNXCESA-N 1 0 386.449 -0.442 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420016381 1072242789 /nfs/dbraw/zinc/24/27/89/1072242789.db2.gz SILKKGUIUDJJBR-CABCVRRESA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420016382 1072242888 /nfs/dbraw/zinc/24/28/88/1072242888.db2.gz SILKKGUIUDJJBR-HUUCEWRRSA-N 1 0 376.457 -0.103 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000420016408 1072242542 /nfs/dbraw/zinc/24/25/42/1072242542.db2.gz SLYWKUKXARUJGU-CYBMUJFWSA-N 1 0 394.497 -0.528 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000420016515 1072242616 /nfs/dbraw/zinc/24/26/16/1072242616.db2.gz MXQJHDYHDFNKJY-HNNXBMFYSA-N 1 0 387.484 -0.427 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1C ZINC000420016876 1072242780 /nfs/dbraw/zinc/24/27/80/1072242780.db2.gz UAPKGLHXVPJHNW-CQSZACIVSA-N 1 0 375.473 -0.150 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420016992 1072242675 /nfs/dbraw/zinc/24/26/75/1072242675.db2.gz ULQSJSUBVDMZOB-CYBMUJFWSA-N 1 0 377.445 -0.759 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1OC ZINC000420017144 1072242726 /nfs/dbraw/zinc/24/27/26/1072242726.db2.gz UTIKBMWPDNINMX-GFCCVEGCSA-N 1 0 378.429 -0.548 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1C ZINC000420017271 1072242703 /nfs/dbraw/zinc/24/27/03/1072242703.db2.gz VJPKGPXXCHUZNH-CQSZACIVSA-N 1 0 382.486 -0.400 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420017552 1072243317 /nfs/dbraw/zinc/24/33/17/1072243317.db2.gz OHNMKJIVSWCBAA-QWHCGFSZSA-N 1 0 379.436 -0.240 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000420017553 1072243755 /nfs/dbraw/zinc/24/37/55/1072243755.db2.gz OHNMKJIVSWCBAA-STQMWFEESA-N 1 0 379.436 -0.240 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c(OC)c1OC ZINC000420018071 1072243667 /nfs/dbraw/zinc/24/36/67/1072243667.db2.gz XDDLFGRJGLGLMZ-CYBMUJFWSA-N 1 0 394.472 -0.180 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420018188 1072242495 /nfs/dbraw/zinc/24/24/95/1072242495.db2.gz PGHJUFJPZWNQOZ-CVEARBPZSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420018189 1072242599 /nfs/dbraw/zinc/24/25/99/1072242599.db2.gz PGHJUFJPZWNQOZ-HOTGVXAUSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420018190 1072242593 /nfs/dbraw/zinc/24/25/93/1072242593.db2.gz PGHJUFJPZWNQOZ-HZPDHXFCSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000420018191 1072243802 /nfs/dbraw/zinc/24/38/02/1072243802.db2.gz PGHJUFJPZWNQOZ-JKSUJKDBSA-N 1 0 379.505 -0.613 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000420018517 1072243352 /nfs/dbraw/zinc/24/33/52/1072243352.db2.gz PUFUNOYKBOSUTF-AWEZNQCLSA-N 1 0 382.486 -0.106 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000420018518 1072243280 /nfs/dbraw/zinc/24/32/80/1072243280.db2.gz PUFUNOYKBOSUTF-CQSZACIVSA-N 1 0 382.486 -0.106 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)ncn1 ZINC000420019045 1072243835 /nfs/dbraw/zinc/24/38/35/1072243835.db2.gz QMLHUQNBPLPUBP-KBPBESRZSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)ncn1 ZINC000420019046 1072243823 /nfs/dbraw/zinc/24/38/23/1072243823.db2.gz QMLHUQNBPLPUBP-KGLIPLIRSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)ncn1 ZINC000420019047 1072243841 /nfs/dbraw/zinc/24/38/41/1072243841.db2.gz QMLHUQNBPLPUBP-UONOGXRCSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)ncn1 ZINC000420019048 1072243416 /nfs/dbraw/zinc/24/34/16/1072243416.db2.gz QMLHUQNBPLPUBP-ZIAGYGMSSA-N 1 0 376.461 -0.233 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000420019620 1072243258 /nfs/dbraw/zinc/24/32/58/1072243258.db2.gz CDMXTIWHMZGCOV-LBPRGKRZSA-N 1 0 396.469 -0.815 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000420019671 1072243207 /nfs/dbraw/zinc/24/32/07/1072243207.db2.gz CNTVINYVLSSYKE-GJZGRUSLSA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000420019672 1072243496 /nfs/dbraw/zinc/24/34/96/1072243496.db2.gz CNTVINYVLSSYKE-LSDHHAIUSA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000420020046 1072243570 /nfs/dbraw/zinc/24/35/70/1072243570.db2.gz DNAYHWADXKKAFM-HNNXBMFYSA-N 1 0 376.457 -0.184 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000420020592 1072239007 /nfs/dbraw/zinc/23/90/07/1072239007.db2.gz FYVXMXJBIHWCQC-JTQLQIEISA-N 1 0 390.412 -0.739 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000420021094 530350049 /nfs/dbraw/zinc/35/00/49/530350049.db2.gz GWZUXNKRAQOAJR-VIFPVBQESA-N 1 0 394.906 -0.302 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1C ZINC000420021283 1072238906 /nfs/dbraw/zinc/23/89/06/1072238906.db2.gz UAPKGLHXVPJHNW-AWEZNQCLSA-N 1 0 375.473 -0.150 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000420021346 1072239171 /nfs/dbraw/zinc/23/91/71/1072239171.db2.gz HRJZHMHWQAFLNF-GFCCVEGCSA-N 1 0 382.848 -0.147 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000420021348 1072239364 /nfs/dbraw/zinc/23/93/64/1072239364.db2.gz HRJZHMHWQAFLNF-LBPRGKRZSA-N 1 0 382.848 -0.147 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000420021650 530350089 /nfs/dbraw/zinc/35/00/89/530350089.db2.gz IIWMHZNRFKQBLW-NSHDSACASA-N 1 0 388.877 -0.364 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)nc1 ZINC000420021837 1072239353 /nfs/dbraw/zinc/23/93/53/1072239353.db2.gz IVHTZCRGHKEHAA-CYBMUJFWSA-N 1 0 377.445 -0.240 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)nc1 ZINC000420021838 1072239208 /nfs/dbraw/zinc/23/92/08/1072239208.db2.gz IVHTZCRGHKEHAA-ZDUSSCGKSA-N 1 0 377.445 -0.240 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])C2)cc1 ZINC000420021853 1072239318 /nfs/dbraw/zinc/23/93/18/1072239318.db2.gz IWYWMWNFTNYKJM-CABCVRRESA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc1 ZINC000420021854 1072239058 /nfs/dbraw/zinc/23/90/58/1072239058.db2.gz IWYWMWNFTNYKJM-GJZGRUSLSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(=O)N[C@H](C)C[NH3+])C2)cc1 ZINC000420021855 1072238919 /nfs/dbraw/zinc/23/89/19/1072238919.db2.gz IWYWMWNFTNYKJM-HUUCEWRRSA-N 1 0 396.513 -0.025 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])C2)cc1 ZINC000420021856 1072238987 /nfs/dbraw/zinc/23/89/87/1072238987.db2.gz IWYWMWNFTNYKJM-LSDHHAIUSA-N 1 0 396.513 -0.025 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000420021929 1072239324 /nfs/dbraw/zinc/23/93/24/1072239324.db2.gz UWQDPKDGXUEMAG-AWEZNQCLSA-N 1 0 396.513 -0.065 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000420022063 1072239215 /nfs/dbraw/zinc/23/92/15/1072239215.db2.gz VLLMYPANQNDLEP-GDBMZVCRSA-N 1 0 381.521 -0.323 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000420022065 1072239221 /nfs/dbraw/zinc/23/92/21/1072239221.db2.gz VLLMYPANQNDLEP-GOEBONIOSA-N 1 0 381.521 -0.323 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000420022067 1072239313 /nfs/dbraw/zinc/23/93/13/1072239313.db2.gz VLLMYPANQNDLEP-HOCLYGCPSA-N 1 0 381.521 -0.323 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000420022069 1072238894 /nfs/dbraw/zinc/23/88/94/1072238894.db2.gz VLLMYPANQNDLEP-ZBFHGGJFSA-N 1 0 381.521 -0.323 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420022292 1072239257 /nfs/dbraw/zinc/23/92/57/1072239257.db2.gz VSYBUNNYHRNXHJ-CABCVRRESA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420022293 1072239161 /nfs/dbraw/zinc/23/91/61/1072239161.db2.gz VSYBUNNYHRNXHJ-GJZGRUSLSA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420022294 1072238874 /nfs/dbraw/zinc/23/88/74/1072238874.db2.gz VSYBUNNYHRNXHJ-HUUCEWRRSA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420022295 1072238942 /nfs/dbraw/zinc/23/89/42/1072238942.db2.gz VSYBUNNYHRNXHJ-LSDHHAIUSA-N 1 0 388.534 -0.061 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)nn1 ZINC000420022395 1072239111 /nfs/dbraw/zinc/23/91/11/1072239111.db2.gz VUYGLKGEGLPQAS-BFHYXJOUSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)nn1 ZINC000420022396 1072238977 /nfs/dbraw/zinc/23/89/77/1072238977.db2.gz VUYGLKGEGLPQAS-MCIONIFRSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)nn1 ZINC000420022397 1072238965 /nfs/dbraw/zinc/23/89/65/1072238965.db2.gz VUYGLKGEGLPQAS-MGPQQGTHSA-N 1 0 392.460 -0.138 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)nn1 ZINC000420022398 1072239035 /nfs/dbraw/zinc/23/90/35/1072239035.db2.gz VUYGLKGEGLPQAS-MJBXVCDLSA-N 1 0 392.460 -0.138 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])[C@H](C)C2)[nH]n1 ZINC000420022696 1072240051 /nfs/dbraw/zinc/24/00/51/1072240051.db2.gz WNUWCJCCVASFFV-HZSPNIEDSA-N 1 0 376.461 -0.365 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])[C@H](C)C2)[nH]n1 ZINC000420022697 1072239713 /nfs/dbraw/zinc/23/97/13/1072239713.db2.gz WNUWCJCCVASFFV-MCIONIFRSA-N 1 0 376.461 -0.365 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])[C@H](C)C2)[nH]n1 ZINC000420022698 1072239875 /nfs/dbraw/zinc/23/98/75/1072239875.db2.gz WNUWCJCCVASFFV-MGPQQGTHSA-N 1 0 376.461 -0.365 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])[C@H](C)C2)[nH]n1 ZINC000420022699 1072239929 /nfs/dbraw/zinc/23/99/29/1072239929.db2.gz WNUWCJCCVASFFV-RDBSUJKOSA-N 1 0 376.461 -0.365 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420023152 1072239747 /nfs/dbraw/zinc/23/97/47/1072239747.db2.gz XDEYMJMRQBRYNN-AWEZNQCLSA-N 1 0 383.474 -0.986 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420023153 1072239987 /nfs/dbraw/zinc/23/99/87/1072239987.db2.gz XDEYMJMRQBRYNN-CQSZACIVSA-N 1 0 383.474 -0.986 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000420023210 1072239772 /nfs/dbraw/zinc/23/97/72/1072239772.db2.gz XJHWSHJHKDYCOV-INIZCTEOSA-N 1 0 394.447 -0.025 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000420023212 1072239812 /nfs/dbraw/zinc/23/98/12/1072239812.db2.gz XJHWSHJHKDYCOV-MRXNPFEDSA-N 1 0 394.447 -0.025 20 0 GBADRO CCc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000420023503 1072239868 /nfs/dbraw/zinc/23/98/68/1072239868.db2.gz XTNONQMPDSTQTN-IBGZPJMESA-N 1 0 391.472 -0.373 20 0 GBADRO CCc1c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000420023504 1072239792 /nfs/dbraw/zinc/23/97/92/1072239792.db2.gz XTNONQMPDSTQTN-LJQANCHMSA-N 1 0 391.472 -0.373 20 0 GBADRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000420023535 1072239890 /nfs/dbraw/zinc/23/98/90/1072239890.db2.gz XXQKMVPTCXUCHR-GOSISDBHSA-N 1 0 377.445 -0.627 20 0 GBADRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000420023536 1072239957 /nfs/dbraw/zinc/23/99/57/1072239957.db2.gz XXQKMVPTCXUCHR-SFHVURJKSA-N 1 0 377.445 -0.627 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000420023918 1072240036 /nfs/dbraw/zinc/24/00/36/1072240036.db2.gz XVGWKPSIZSBZKW-ZDUSSCGKSA-N 1 0 389.522 -0.897 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420024893 1072239831 /nfs/dbraw/zinc/23/98/31/1072239831.db2.gz YOCYJZAXVZYITB-CVEARBPZSA-N 1 0 381.521 -0.367 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420024894 1072240079 /nfs/dbraw/zinc/24/00/79/1072240079.db2.gz YOCYJZAXVZYITB-HOTGVXAUSA-N 1 0 381.521 -0.367 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420024895 1072239737 /nfs/dbraw/zinc/23/97/37/1072239737.db2.gz YOCYJZAXVZYITB-HZPDHXFCSA-N 1 0 381.521 -0.367 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420024896 1072239840 /nfs/dbraw/zinc/23/98/40/1072239840.db2.gz YOCYJZAXVZYITB-JKSUJKDBSA-N 1 0 381.521 -0.367 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1)C1CCCCC1 ZINC000420025000 1072239808 /nfs/dbraw/zinc/23/98/08/1072239808.db2.gz AVFXPPBVCSBNRY-KRWDZBQOSA-N 1 0 393.532 -0.225 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1)C1CCCCC1 ZINC000420025004 1072239843 /nfs/dbraw/zinc/23/98/43/1072239843.db2.gz AVFXPPBVCSBNRY-QGZVFWFLSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000420025327 1072239723 /nfs/dbraw/zinc/23/97/23/1072239723.db2.gz ZDBGECLDAQCQOG-ZDUSSCGKSA-N 1 0 379.436 -0.837 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000420025490 1072240143 /nfs/dbraw/zinc/24/01/43/1072240143.db2.gz ZYBZJBUQEKRTOE-KRWDZBQOSA-N 1 0 389.500 -0.454 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000420025493 1072240092 /nfs/dbraw/zinc/24/00/92/1072240092.db2.gz ZYBZJBUQEKRTOE-QGZVFWFLSA-N 1 0 389.500 -0.454 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000420025630 1072239764 /nfs/dbraw/zinc/23/97/64/1072239764.db2.gz BIVNNWSYWXXGEL-INIZCTEOSA-N 1 0 391.447 -0.238 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000420025633 1072239847 /nfs/dbraw/zinc/23/98/47/1072239847.db2.gz BIVNNWSYWXXGEL-MRXNPFEDSA-N 1 0 391.447 -0.238 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420026172 1072239733 /nfs/dbraw/zinc/23/97/33/1072239733.db2.gz ZUKWSLBFSWTRIR-DZGCQCFKSA-N 1 0 394.497 -0.167 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420026173 1072240193 /nfs/dbraw/zinc/24/01/93/1072240193.db2.gz ZUKWSLBFSWTRIR-ZFWWWQNUSA-N 1 0 394.497 -0.167 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000420026425 1072239901 /nfs/dbraw/zinc/23/99/01/1072239901.db2.gz JIIAZXOVPNAOGL-CYBMUJFWSA-N 1 0 394.472 -0.180 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000420026428 1072240082 /nfs/dbraw/zinc/24/00/82/1072240082.db2.gz JIIAZXOVPNAOGL-ZDUSSCGKSA-N 1 0 394.472 -0.180 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420026845 1072239825 /nfs/dbraw/zinc/23/98/25/1072239825.db2.gz JVMOQUQIHINNNN-HNNXBMFYSA-N 1 0 375.473 -0.150 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027717 1072240851 /nfs/dbraw/zinc/24/08/51/1072240851.db2.gz DJACAVBEDQTAMB-GDBMZVCRSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027718 1072240461 /nfs/dbraw/zinc/24/04/61/1072240461.db2.gz DJACAVBEDQTAMB-GOEBONIOSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027719 1072240597 /nfs/dbraw/zinc/24/05/97/1072240597.db2.gz DJACAVBEDQTAMB-HOCLYGCPSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000420027720 1072241104 /nfs/dbraw/zinc/24/11/04/1072241104.db2.gz DJACAVBEDQTAMB-ZBFHGGJFSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000420027833 1072240641 /nfs/dbraw/zinc/24/06/41/1072240641.db2.gz LTDQKSVRISKZFN-LBPRGKRZSA-N 1 0 381.864 -0.114 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000420027965 1072240824 /nfs/dbraw/zinc/24/08/24/1072240824.db2.gz CZBDBRMKGWIMPQ-KBPBESRZSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000420027968 1072240745 /nfs/dbraw/zinc/24/07/45/1072240745.db2.gz CZBDBRMKGWIMPQ-KGLIPLIRSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000420027971 1072241116 /nfs/dbraw/zinc/24/11/16/1072241116.db2.gz CZBDBRMKGWIMPQ-UONOGXRCSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000420027974 1072241195 /nfs/dbraw/zinc/24/11/95/1072241195.db2.gz CZBDBRMKGWIMPQ-ZIAGYGMSSA-N 1 0 376.461 -0.233 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420028169 1072239999 /nfs/dbraw/zinc/23/99/99/1072239999.db2.gz DNDSDHDWTGBCNL-KKUMJFAQSA-N 1 0 397.520 -0.726 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420028170 1072239851 /nfs/dbraw/zinc/23/98/51/1072239851.db2.gz DNDSDHDWTGBCNL-RRFJBIMHSA-N 1 0 397.520 -0.726 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420028171 1072241059 /nfs/dbraw/zinc/24/10/59/1072241059.db2.gz DNDSDHDWTGBCNL-SOUVJXGZSA-N 1 0 397.520 -0.726 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420028172 1072240543 /nfs/dbraw/zinc/24/05/43/1072240543.db2.gz DNDSDHDWTGBCNL-ZNMIVQPWSA-N 1 0 397.520 -0.726 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c(OC)c1 ZINC000420028241 1072240907 /nfs/dbraw/zinc/24/09/07/1072240907.db2.gz LXZKZGRPMGJFCH-LBPRGKRZSA-N 1 0 378.429 -0.548 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)nc1 ZINC000420028326 1072240106 /nfs/dbraw/zinc/24/01/06/1072240106.db2.gz DDRMXKGFTJZPHX-DZGCQCFKSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)nc1 ZINC000420028330 1072239788 /nfs/dbraw/zinc/23/97/88/1072239788.db2.gz DDRMXKGFTJZPHX-HIFRSBDPSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)nc1 ZINC000420028332 1072239820 /nfs/dbraw/zinc/23/98/20/1072239820.db2.gz DDRMXKGFTJZPHX-UKRRQHHQSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)nc1 ZINC000420028335 1072239863 /nfs/dbraw/zinc/23/98/63/1072239863.db2.gz DDRMXKGFTJZPHX-ZFWWWQNUSA-N 1 0 388.472 -0.537 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000420028956 1072241047 /nfs/dbraw/zinc/24/10/47/1072241047.db2.gz MYZVFZORHQTAAD-AWEZNQCLSA-N 1 0 391.472 -0.369 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029067 1072240830 /nfs/dbraw/zinc/24/08/30/1072240830.db2.gz FEZWGTJHFODOKN-CHWSQXEVSA-N 1 0 383.493 -0.132 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029068 1072240897 /nfs/dbraw/zinc/24/08/97/1072240897.db2.gz FEZWGTJHFODOKN-OLZOCXBDSA-N 1 0 383.493 -0.132 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029069 1072240707 /nfs/dbraw/zinc/24/07/07/1072240707.db2.gz FEZWGTJHFODOKN-QWHCGFSZSA-N 1 0 383.493 -0.132 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000420029070 1072240682 /nfs/dbraw/zinc/24/06/82/1072240682.db2.gz FEZWGTJHFODOKN-STQMWFEESA-N 1 0 383.493 -0.132 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000420029371 1072240879 /nfs/dbraw/zinc/24/08/79/1072240879.db2.gz NORTWSMYQYQPRL-AWEZNQCLSA-N 1 0 382.486 -0.400 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000420029374 1072241093 /nfs/dbraw/zinc/24/10/93/1072241093.db2.gz NORTWSMYQYQPRL-CQSZACIVSA-N 1 0 382.486 -0.400 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420029578 1072241159 /nfs/dbraw/zinc/24/11/59/1072241159.db2.gz FOPUEZGULFLVCO-KBPBESRZSA-N 1 0 383.493 -0.178 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420029579 1072240666 /nfs/dbraw/zinc/24/06/66/1072240666.db2.gz FOPUEZGULFLVCO-KGLIPLIRSA-N 1 0 383.493 -0.178 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420029580 1072241002 /nfs/dbraw/zinc/24/10/02/1072241002.db2.gz FOPUEZGULFLVCO-UONOGXRCSA-N 1 0 383.493 -0.178 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420029581 1072240886 /nfs/dbraw/zinc/24/08/86/1072240886.db2.gz FOPUEZGULFLVCO-ZIAGYGMSSA-N 1 0 383.493 -0.178 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH3+])C2=O)c1 ZINC000420029672 1072240563 /nfs/dbraw/zinc/24/05/63/1072240563.db2.gz OIJBZOTWDVEYJH-ABAIWWIYSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)C[NH3+])C2=O)c1 ZINC000420029674 1072240508 /nfs/dbraw/zinc/24/05/08/1072240508.db2.gz OIJBZOTWDVEYJH-IAQYHMDHSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH3+])C2=O)c1 ZINC000420029676 1072240841 /nfs/dbraw/zinc/24/08/41/1072240841.db2.gz OIJBZOTWDVEYJH-NHYWBVRUSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH3+])C2=O)c1 ZINC000420029678 1072240628 /nfs/dbraw/zinc/24/06/28/1072240628.db2.gz OIJBZOTWDVEYJH-XHDPSFHLSA-N 1 0 378.429 -0.269 20 0 GBADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c(C)s1 ZINC000420030205 530350095 /nfs/dbraw/zinc/35/00/95/530350095.db2.gz PMAYFRGUFBZTLA-JTQLQIEISA-N 1 0 388.515 -0.339 20 0 GBADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)c(C)s1 ZINC000420030207 530350055 /nfs/dbraw/zinc/35/00/55/530350055.db2.gz PMAYFRGUFBZTLA-SNVBAGLBSA-N 1 0 388.515 -0.339 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000420030463 1072240739 /nfs/dbraw/zinc/24/07/39/1072240739.db2.gz PRFMWPZSBURRTL-ZDUSSCGKSA-N 1 0 398.485 -0.618 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420030616 1072240779 /nfs/dbraw/zinc/24/07/79/1072240779.db2.gz GONJYWHHJZBYSQ-KBPBESRZSA-N 1 0 378.477 -0.707 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420030617 1072240932 /nfs/dbraw/zinc/24/09/32/1072240932.db2.gz GONJYWHHJZBYSQ-KGLIPLIRSA-N 1 0 378.477 -0.707 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420030618 1072240720 /nfs/dbraw/zinc/24/07/20/1072240720.db2.gz GONJYWHHJZBYSQ-UONOGXRCSA-N 1 0 378.477 -0.707 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000420030619 1072241127 /nfs/dbraw/zinc/24/11/27/1072241127.db2.gz GONJYWHHJZBYSQ-ZIAGYGMSSA-N 1 0 378.477 -0.707 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)n1 ZINC000420030656 1072242145 /nfs/dbraw/zinc/24/21/45/1072242145.db2.gz GPUIZROMUVXAFE-NEPJUHHUSA-N 1 0 396.517 -0.022 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)n1 ZINC000420030657 1072241536 /nfs/dbraw/zinc/24/15/36/1072241536.db2.gz GPUIZROMUVXAFE-NWDGAFQWSA-N 1 0 396.517 -0.022 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)n1 ZINC000420030658 1072241957 /nfs/dbraw/zinc/24/19/57/1072241957.db2.gz GPUIZROMUVXAFE-RYUDHWBXSA-N 1 0 396.517 -0.022 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)n1 ZINC000420030659 1072241937 /nfs/dbraw/zinc/24/19/37/1072241937.db2.gz GPUIZROMUVXAFE-VXGBXAGGSA-N 1 0 396.517 -0.022 20 0 GBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420031024 1072240981 /nfs/dbraw/zinc/24/09/81/1072240981.db2.gz GWRXBMBQQMJTSA-KBPBESRZSA-N 1 0 376.461 -0.337 20 0 GBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420031025 1072240571 /nfs/dbraw/zinc/24/05/71/1072240571.db2.gz GWRXBMBQQMJTSA-KGLIPLIRSA-N 1 0 376.461 -0.337 20 0 GBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420031026 1072240612 /nfs/dbraw/zinc/24/06/12/1072240612.db2.gz GWRXBMBQQMJTSA-UONOGXRCSA-N 1 0 376.461 -0.337 20 0 GBADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420031027 1072240807 /nfs/dbraw/zinc/24/08/07/1072240807.db2.gz GWRXBMBQQMJTSA-ZIAGYGMSSA-N 1 0 376.461 -0.337 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420031205 1072240489 /nfs/dbraw/zinc/24/04/89/1072240489.db2.gz REDSILBWRYYRPO-AWEZNQCLSA-N 1 0 375.473 -0.205 20 0 GBADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000420031247 530350288 /nfs/dbraw/zinc/35/02/88/530350288.db2.gz RGNQLMDKDRIPLV-LLVKDONJSA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000420031250 530350145 /nfs/dbraw/zinc/35/01/45/530350145.db2.gz RGNQLMDKDRIPLV-NSHDSACASA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000420031253 530350139 /nfs/dbraw/zinc/35/01/39/530350139.db2.gz RGYULRWIDMIVHN-NSHDSACASA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000420031398 1072241149 /nfs/dbraw/zinc/24/11/49/1072241149.db2.gz RXPFMCMNYQAWLH-AAEUAGOBSA-N 1 0 386.449 -0.442 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000420031400 1072240817 /nfs/dbraw/zinc/24/08/17/1072240817.db2.gz RXPFMCMNYQAWLH-WCQYABFASA-N 1 0 386.449 -0.442 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420031482 1072240650 /nfs/dbraw/zinc/24/06/50/1072240650.db2.gz HGGQXMLSFJKHIC-CHWSQXEVSA-N 1 0 378.429 -0.207 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420031484 1072240795 /nfs/dbraw/zinc/24/07/95/1072240795.db2.gz HGGQXMLSFJKHIC-OLZOCXBDSA-N 1 0 378.429 -0.207 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420031486 1072240524 /nfs/dbraw/zinc/24/05/24/1072240524.db2.gz HGGQXMLSFJKHIC-QWHCGFSZSA-N 1 0 378.429 -0.207 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420031488 1072240766 /nfs/dbraw/zinc/24/07/66/1072240766.db2.gz HGGQXMLSFJKHIC-STQMWFEESA-N 1 0 378.429 -0.207 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420031694 1072241819 /nfs/dbraw/zinc/24/18/19/1072241819.db2.gz SILKKGUIUDJJBR-GJZGRUSLSA-N 1 0 376.457 -0.103 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420031695 1072241509 /nfs/dbraw/zinc/24/15/09/1072241509.db2.gz SILKKGUIUDJJBR-LSDHHAIUSA-N 1 0 376.457 -0.103 20 0 GBADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000420031964 1072241697 /nfs/dbraw/zinc/24/16/97/1072241697.db2.gz SLYWKUKXARUJGU-ZDUSSCGKSA-N 1 0 394.497 -0.528 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000420032034 1072241436 /nfs/dbraw/zinc/24/14/36/1072241436.db2.gz HSFGAVYATMCHLU-DJIMGWMZSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000420032036 1072241655 /nfs/dbraw/zinc/24/16/55/1072241655.db2.gz HSFGAVYATMCHLU-HYVNUMGLSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000420032037 1072241995 /nfs/dbraw/zinc/24/19/95/1072241995.db2.gz HSFGAVYATMCHLU-OIISXLGYSA-N 1 0 393.532 -0.321 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000420032039 1072241849 /nfs/dbraw/zinc/24/18/49/1072241849.db2.gz HSFGAVYATMCHLU-PVAVHDDUSA-N 1 0 393.532 -0.321 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420032455 1072241747 /nfs/dbraw/zinc/24/17/47/1072241747.db2.gz HZOIYCAVHKEDHA-JHJVBQTASA-N 1 0 390.506 -0.856 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420032459 1072241953 /nfs/dbraw/zinc/24/19/53/1072241953.db2.gz ULQSJSUBVDMZOB-ZDUSSCGKSA-N 1 0 377.445 -0.759 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420032463 1072241449 /nfs/dbraw/zinc/24/14/49/1072241449.db2.gz HZOIYCAVHKEDHA-UPJWGTAASA-N 1 0 390.506 -0.856 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420032466 1072241999 /nfs/dbraw/zinc/24/19/99/1072241999.db2.gz HZOIYCAVHKEDHA-XQQFMLRXSA-N 1 0 390.506 -0.856 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420032468 1072242065 /nfs/dbraw/zinc/24/20/65/1072242065.db2.gz HZOIYCAVHKEDHA-YNEHKIRRSA-N 1 0 390.506 -0.856 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)ccc1OCCO ZINC000420032501 1072241805 /nfs/dbraw/zinc/24/18/05/1072241805.db2.gz IBIATOGIRQZLKO-GXTWGEPZSA-N 1 0 395.456 -0.088 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)ccc1OCCO ZINC000420032502 1072241474 /nfs/dbraw/zinc/24/14/74/1072241474.db2.gz IBIATOGIRQZLKO-JSGCOSHPSA-N 1 0 395.456 -0.088 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)ccc1OCCO ZINC000420032503 1072241766 /nfs/dbraw/zinc/24/17/66/1072241766.db2.gz IBIATOGIRQZLKO-OCCSQVGLSA-N 1 0 395.456 -0.088 20 0 GBADRO COc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)ccc1OCCO ZINC000420032504 1072241675 /nfs/dbraw/zinc/24/16/75/1072241675.db2.gz IBIATOGIRQZLKO-TZMCWYRMSA-N 1 0 395.456 -0.088 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1OC ZINC000420032724 1072241721 /nfs/dbraw/zinc/24/17/21/1072241721.db2.gz UTIKBMWPDNINMX-LBPRGKRZSA-N 1 0 378.429 -0.548 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1C ZINC000420032895 1072241664 /nfs/dbraw/zinc/24/16/64/1072241664.db2.gz VJPKGPXXCHUZNH-AWEZNQCLSA-N 1 0 382.486 -0.400 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c(OC)c1OC ZINC000420034160 1072241685 /nfs/dbraw/zinc/24/16/85/1072241685.db2.gz XDDLFGRJGLGLMZ-ZDUSSCGKSA-N 1 0 394.472 -0.180 20 0 GBADRO CCN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@H](C)CS(=O)(=O)CC ZINC000420034870 530350183 /nfs/dbraw/zinc/35/01/83/530350183.db2.gz JTLDMPUFSJTZON-AGIUHOORSA-N 1 0 377.507 -0.113 20 0 GBADRO CCN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@@H](C)CS(=O)(=O)CC ZINC000420034872 530350119 /nfs/dbraw/zinc/35/01/19/530350119.db2.gz JTLDMPUFSJTZON-AVGNSLFASA-N 1 0 377.507 -0.113 20 0 GBADRO 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OOFUXCQXQSOEMV-DGCLKSJQSA-N 1 0 380.424 -0.507 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000420040232 1072245315 /nfs/dbraw/zinc/24/53/15/1072245315.db2.gz OOFUXCQXQSOEMV-WCQYABFASA-N 1 0 380.424 -0.507 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000420040233 1072245022 /nfs/dbraw/zinc/24/50/22/1072245022.db2.gz OOFUXCQXQSOEMV-YPMHNXCESA-N 1 0 380.424 -0.507 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)ncn1 ZINC000420040234 1072245372 /nfs/dbraw/zinc/24/53/72/1072245372.db2.gz OOLPDGSLQYPZSP-CHWSQXEVSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)ncn1 ZINC000420040235 1072245102 /nfs/dbraw/zinc/24/51/02/1072245102.db2.gz OOLPDGSLQYPZSP-OLZOCXBDSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)ncn1 ZINC000420040236 1072245396 /nfs/dbraw/zinc/24/53/96/1072245396.db2.gz OOLPDGSLQYPZSP-QWHCGFSZSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)ncn1 ZINC000420040237 1072245356 /nfs/dbraw/zinc/24/53/56/1072245356.db2.gz OOLPDGSLQYPZSP-STQMWFEESA-N 1 0 392.460 -0.637 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000420040327 1072245266 /nfs/dbraw/zinc/24/52/66/1072245266.db2.gz AAVCCOIPHQHKJT-UHFFFAOYSA-N 1 0 389.522 -0.895 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000420040436 1072245351 /nfs/dbraw/zinc/24/53/51/1072245351.db2.gz APMSQEFXFXQQLI-UHFFFAOYSA-N 1 0 386.449 -0.488 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)C2)nn1 ZINC000420040679 1072245274 /nfs/dbraw/zinc/24/52/74/1072245274.db2.gz PDXAAYIBXVYXGA-IJLUTSLNSA-N 1 0 394.432 -0.933 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)C2)nn1 ZINC000420040694 1072245250 /nfs/dbraw/zinc/24/52/50/1072245250.db2.gz PDXAAYIBXVYXGA-QJPTWQEYSA-N 1 0 394.432 -0.933 20 0 GBADRO 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20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420040890 1072246642 /nfs/dbraw/zinc/24/66/42/1072246642.db2.gz PGKMWJWFGRAGIX-YJNKXOJESA-N 1 0 398.504 -0.395 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000420041007 1072245479 /nfs/dbraw/zinc/24/54/79/1072245479.db2.gz LMAAVUHMNGTYQD-HNNXBMFYSA-N 1 0 388.534 -0.045 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000420041008 1072245308 /nfs/dbraw/zinc/24/53/08/1072245308.db2.gz LMAAVUHMNGTYQD-OAHLLOKOSA-N 1 0 388.534 -0.045 20 0 GBADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000420041027 1072245151 /nfs/dbraw/zinc/24/51/51/1072245151.db2.gz LPRUTKCRKYSJSW-INIZCTEOSA-N 1 0 378.477 -0.066 20 0 GBADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000420041029 1072245170 /nfs/dbraw/zinc/24/51/70/1072245170.db2.gz LPRUTKCRKYSJSW-MRXNPFEDSA-N 1 0 378.477 -0.066 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000420041329 1072245334 /nfs/dbraw/zinc/24/53/34/1072245334.db2.gz PSJXCEVREUQGBQ-KRWDZBQOSA-N 1 0 387.484 -0.700 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000420041330 1072245493 /nfs/dbraw/zinc/24/54/93/1072245493.db2.gz PSJXCEVREUQGBQ-QGZVFWFLSA-N 1 0 387.484 -0.700 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420041375 1072246307 /nfs/dbraw/zinc/24/63/07/1072246307.db2.gz PXOPWDSPBFMJHB-AEGPPILISA-N 1 0 380.489 -0.020 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420041376 1072246180 /nfs/dbraw/zinc/24/61/80/1072246180.db2.gz PXOPWDSPBFMJHB-CFVMTHIKSA-N 1 0 380.489 -0.020 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420041377 1072246443 /nfs/dbraw/zinc/24/64/43/1072246443.db2.gz PXOPWDSPBFMJHB-NWANDNLSSA-N 1 0 380.489 -0.020 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420041378 1072245916 /nfs/dbraw/zinc/24/59/16/1072245916.db2.gz PXOPWDSPBFMJHB-QEJZJMRPSA-N 1 0 380.489 -0.020 20 0 GBADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000420041674 1072246452 /nfs/dbraw/zinc/24/64/52/1072246452.db2.gz MYZLJUTVXJEQPF-FQEVSTJZSA-N 1 0 388.468 -0.123 20 0 GBADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000420041679 1072246408 /nfs/dbraw/zinc/24/64/08/1072246408.db2.gz MYZLJUTVXJEQPF-HXUWFJFHSA-N 1 0 388.468 -0.123 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000420041772 1072246354 /nfs/dbraw/zinc/24/63/54/1072246354.db2.gz CNMTUWGZDNEGJH-UHFFFAOYSA-N 1 0 379.436 -0.238 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420042012 1072246536 /nfs/dbraw/zinc/24/65/36/1072246536.db2.gz QGKVLSOMEJGTHJ-CABCVRRESA-N 1 0 397.520 -0.772 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420042016 1072246459 /nfs/dbraw/zinc/24/64/59/1072246459.db2.gz QGKVLSOMEJGTHJ-GJZGRUSLSA-N 1 0 397.520 -0.772 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420042018 1072246496 /nfs/dbraw/zinc/24/64/96/1072246496.db2.gz QGKVLSOMEJGTHJ-HUUCEWRRSA-N 1 0 397.520 -0.772 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420042020 1072245945 /nfs/dbraw/zinc/24/59/45/1072245945.db2.gz QGKVLSOMEJGTHJ-LSDHHAIUSA-N 1 0 397.520 -0.772 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000420043614 1072246397 /nfs/dbraw/zinc/24/63/97/1072246397.db2.gz SAMHSPFCOZWRIW-KKUMJFAQSA-N 1 0 390.488 -0.262 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000420043615 1072246430 /nfs/dbraw/zinc/24/64/30/1072246430.db2.gz SAMHSPFCOZWRIW-RRFJBIMHSA-N 1 0 390.488 -0.262 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000420043617 1072246547 /nfs/dbraw/zinc/24/65/47/1072246547.db2.gz SAMHSPFCOZWRIW-SOUVJXGZSA-N 1 0 390.488 -0.262 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000420043618 1072246373 /nfs/dbraw/zinc/24/63/73/1072246373.db2.gz SAMHSPFCOZWRIW-ZNMIVQPWSA-N 1 0 390.488 -0.262 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CCO2)n1 ZINC000420043668 1072246555 /nfs/dbraw/zinc/24/65/55/1072246555.db2.gz SDJQSRJOGQRJTM-BYCMXARLSA-N 1 0 394.476 -0.648 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CCO2)n1 ZINC000420043670 1072246476 /nfs/dbraw/zinc/24/64/76/1072246476.db2.gz SDJQSRJOGQRJTM-CQDKDKBSSA-N 1 0 394.476 -0.648 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CCO2)n1 ZINC000420043672 1072245983 /nfs/dbraw/zinc/24/59/83/1072245983.db2.gz SDJQSRJOGQRJTM-TUKIKUTGSA-N 1 0 394.476 -0.648 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CCO2)n1 ZINC000420043673 1072246364 /nfs/dbraw/zinc/24/63/64/1072246364.db2.gz SDJQSRJOGQRJTM-UGFHNGPFSA-N 1 0 394.476 -0.648 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)nc1 ZINC000420043882 1072246218 /nfs/dbraw/zinc/24/62/18/1072246218.db2.gz SIVBIZRTFAMFHJ-DZGCQCFKSA-N 1 0 391.472 -0.032 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)nc1 ZINC000420043883 1072245845 /nfs/dbraw/zinc/24/58/45/1072245845.db2.gz SIVBIZRTFAMFHJ-HIFRSBDPSA-N 1 0 391.472 -0.032 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)nc1 ZINC000420043884 1072246606 /nfs/dbraw/zinc/24/66/06/1072246606.db2.gz SIVBIZRTFAMFHJ-UKRRQHHQSA-N 1 0 391.472 -0.032 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)nc1 ZINC000420043885 1072246484 /nfs/dbraw/zinc/24/64/84/1072246484.db2.gz SIVBIZRTFAMFHJ-ZFWWWQNUSA-N 1 0 391.472 -0.032 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420044158 1072246154 /nfs/dbraw/zinc/24/61/54/1072246154.db2.gz SPKAIWAFRZZCTQ-DZGCQCFKSA-N 1 0 386.493 -0.979 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420044159 1072246242 /nfs/dbraw/zinc/24/62/42/1072246242.db2.gz SPKAIWAFRZZCTQ-HIFRSBDPSA-N 1 0 386.493 -0.979 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420044160 1072246622 /nfs/dbraw/zinc/24/66/22/1072246622.db2.gz SPKAIWAFRZZCTQ-UKRRQHHQSA-N 1 0 386.493 -0.979 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420044161 1072246094 /nfs/dbraw/zinc/24/60/94/1072246094.db2.gz SPKAIWAFRZZCTQ-ZFWWWQNUSA-N 1 0 386.493 -0.979 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)n1 ZINC000420045522 1072246696 /nfs/dbraw/zinc/24/66/96/1072246696.db2.gz UVJZPGQRPACWOH-CHWSQXEVSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)n1 ZINC000420045523 1072246061 /nfs/dbraw/zinc/24/60/61/1072246061.db2.gz UVJZPGQRPACWOH-OLZOCXBDSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)n1 ZINC000420045524 1072246202 /nfs/dbraw/zinc/24/62/02/1072246202.db2.gz UVJZPGQRPACWOH-QWHCGFSZSA-N 1 0 392.460 -0.637 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)n1 ZINC000420045525 1072246658 /nfs/dbraw/zinc/24/66/58/1072246658.db2.gz UVJZPGQRPACWOH-STQMWFEESA-N 1 0 392.460 -0.637 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)nc1 ZINC000420045580 1072246387 /nfs/dbraw/zinc/24/63/87/1072246387.db2.gz ARGAESYGVOGSGI-HNNXBMFYSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)nc1 ZINC000420045581 1072246577 /nfs/dbraw/zinc/24/65/77/1072246577.db2.gz ARGAESYGVOGSGI-OAHLLOKOSA-N 1 0 388.472 -0.537 20 0 GBADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420046649 1072247362 /nfs/dbraw/zinc/24/73/62/1072247362.db2.gz ROCUMIQCBHKITK-GDBMZVCRSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420046653 1072247717 /nfs/dbraw/zinc/24/77/17/1072247717.db2.gz ROCUMIQCBHKITK-GOEBONIOSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420046657 1072247288 /nfs/dbraw/zinc/24/72/88/1072247288.db2.gz ROCUMIQCBHKITK-HOCLYGCPSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420046662 1072247558 /nfs/dbraw/zinc/24/75/58/1072247558.db2.gz ROCUMIQCBHKITK-ZBFHGGJFSA-N 1 0 394.497 -0.237 20 0 GBADRO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420047575 1072247448 /nfs/dbraw/zinc/24/74/48/1072247448.db2.gz WIUKDRBPYHUPKJ-FTYKPCCVSA-N 1 0 381.433 -0.104 20 0 GBADRO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420047576 1072247697 /nfs/dbraw/zinc/24/76/97/1072247697.db2.gz WIUKDRBPYHUPKJ-GWNIPJSYSA-N 1 0 381.433 -0.104 20 0 GBADRO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420047577 1072247727 /nfs/dbraw/zinc/24/77/27/1072247727.db2.gz WIUKDRBPYHUPKJ-LPTSXCQYSA-N 1 0 381.433 -0.104 20 0 GBADRO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420047578 1072247509 /nfs/dbraw/zinc/24/75/09/1072247509.db2.gz WIUKDRBPYHUPKJ-XYJRDEOASA-N 1 0 381.433 -0.104 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CCN2C1=O ZINC000420048338 1072247266 /nfs/dbraw/zinc/24/72/66/1072247266.db2.gz XCHPGIGTRBCJPK-ILXRZTDVSA-N 1 0 395.504 -0.180 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CCN2C1=O ZINC000420048339 1072247486 /nfs/dbraw/zinc/24/74/86/1072247486.db2.gz XCHPGIGTRBCJPK-KKUMJFAQSA-N 1 0 395.504 -0.180 20 0 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389.456 -0.405 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000420056576 1072243648 /nfs/dbraw/zinc/24/36/48/1072243648.db2.gz IRFWPHTUTOQCRK-UKRRQHHQSA-N 1 0 389.456 -0.405 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000420056580 1072243719 /nfs/dbraw/zinc/24/37/19/1072243719.db2.gz IRFWPHTUTOQCRK-ZFWWWQNUSA-N 1 0 389.456 -0.405 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420057103 1072243608 /nfs/dbraw/zinc/24/36/08/1072243608.db2.gz IXXFGDLHXBWPEV-ILXRZTDVSA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420057105 1072243616 /nfs/dbraw/zinc/24/36/16/1072243616.db2.gz IXXFGDLHXBWPEV-KKUMJFAQSA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420057107 1072243806 /nfs/dbraw/zinc/24/38/06/1072243806.db2.gz IXXFGDLHXBWPEV-QLFBSQMISA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420057109 1072243734 /nfs/dbraw/zinc/24/37/34/1072243734.db2.gz IXXFGDLHXBWPEV-SOUVJXGZSA-N 1 0 388.534 -0.060 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)no1 ZINC000420057199 1072243434 /nfs/dbraw/zinc/24/34/34/1072243434.db2.gz JCHXOMHTPZEVFR-DZGCQCFKSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)no1 ZINC000420057201 1072243588 /nfs/dbraw/zinc/24/35/88/1072243588.db2.gz JCHXOMHTPZEVFR-HIFRSBDPSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)no1 ZINC000420057203 1072243217 /nfs/dbraw/zinc/24/32/17/1072243217.db2.gz JCHXOMHTPZEVFR-UKRRQHHQSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)no1 ZINC000420057205 1072243530 /nfs/dbraw/zinc/24/35/30/1072243530.db2.gz JCHXOMHTPZEVFR-ZFWWWQNUSA-N 1 0 379.461 -0.144 20 0 GBADRO COCCCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000420057831 1072243633 /nfs/dbraw/zinc/24/36/33/1072243633.db2.gz DIGGLJTXOYVUKQ-CABCVRRESA-N 1 0 389.518 -0.328 20 0 GBADRO COCCCN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000420057833 1072243699 /nfs/dbraw/zinc/24/36/99/1072243699.db2.gz DIGGLJTXOYVUKQ-GJZGRUSLSA-N 1 0 389.518 -0.328 20 0 GBADRO COCCCN(C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000420057835 1072243682 /nfs/dbraw/zinc/24/36/82/1072243682.db2.gz DIGGLJTXOYVUKQ-HUUCEWRRSA-N 1 0 389.518 -0.328 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000420057873 1072243845 /nfs/dbraw/zinc/24/38/45/1072243845.db2.gz HYCUVTUYQQZJLE-HNNXBMFYSA-N 1 0 380.470 -0.627 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000420057874 1072244278 /nfs/dbraw/zinc/24/42/78/1072244278.db2.gz HYCUVTUYQQZJLE-OAHLLOKOSA-N 1 0 380.470 -0.627 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C1CC1 ZINC000420057877 1072244705 /nfs/dbraw/zinc/24/47/05/1072244705.db2.gz HYFIJSUMYWPXIU-AWEZNQCLSA-N 1 0 388.424 -0.447 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C1CC1 ZINC000420057878 1072244377 /nfs/dbraw/zinc/24/43/77/1072244377.db2.gz HYFIJSUMYWPXIU-CQSZACIVSA-N 1 0 388.424 -0.447 20 0 GBADRO COCCCN(C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000420057967 1072243328 /nfs/dbraw/zinc/24/33/28/1072243328.db2.gz DIGGLJTXOYVUKQ-LSDHHAIUSA-N 1 0 389.518 -0.328 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C[C@@H]1c1ncc[nH]1 ZINC000420058215 1072243548 /nfs/dbraw/zinc/24/35/48/1072243548.db2.gz JOIKWSQOSMJIQB-HZSPNIEDSA-N 1 0 378.477 -0.156 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C[C@H]1c1ncc[nH]1 ZINC000420058216 1072243266 /nfs/dbraw/zinc/24/32/66/1072243266.db2.gz JOIKWSQOSMJIQB-IHRRRGAJSA-N 1 0 378.477 -0.156 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C[C@@H]1c1ncc[nH]1 ZINC000420058217 1072243233 /nfs/dbraw/zinc/24/32/33/1072243233.db2.gz JOIKWSQOSMJIQB-MELADBBJSA-N 1 0 378.477 -0.156 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C[C@H]1c1ncc[nH]1 ZINC000420058218 1072243298 /nfs/dbraw/zinc/24/32/98/1072243298.db2.gz JOIKWSQOSMJIQB-RDBSUJKOSA-N 1 0 378.477 -0.156 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)s1 ZINC000420058290 1072243743 /nfs/dbraw/zinc/24/37/43/1072243743.db2.gz OCSRJSSKLPHXDS-UHFFFAOYSA-N 1 0 383.474 -0.178 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)on1 ZINC000420058553 1072244560 /nfs/dbraw/zinc/24/45/60/1072244560.db2.gz JXHHIKMOGBXXGI-DZGCQCFKSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)on1 ZINC000420058559 1072244434 /nfs/dbraw/zinc/24/44/34/1072244434.db2.gz JXHHIKMOGBXXGI-HIFRSBDPSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)on1 ZINC000420058564 1072244263 /nfs/dbraw/zinc/24/42/63/1072244263.db2.gz JXHHIKMOGBXXGI-UKRRQHHQSA-N 1 0 379.461 -0.144 20 0 GBADRO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)on1 ZINC000420058568 1072244691 /nfs/dbraw/zinc/24/46/91/1072244691.db2.gz JXHHIKMOGBXXGI-ZFWWWQNUSA-N 1 0 379.461 -0.144 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000420058796 1072244807 /nfs/dbraw/zinc/24/48/07/1072244807.db2.gz JAZPELZWMMDATD-KRWDZBQOSA-N 1 0 388.468 -0.238 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000420058799 1072244612 /nfs/dbraw/zinc/24/46/12/1072244612.db2.gz JAZPELZWMMDATD-QGZVFWFLSA-N 1 0 388.468 -0.238 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C1CCCC1 ZINC000420059140 1072244424 /nfs/dbraw/zinc/24/44/24/1072244424.db2.gz ORLYZEQDTOCTFM-HNNXBMFYSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)C1CCCC1 ZINC000420059141 1072244198 /nfs/dbraw/zinc/24/41/98/1072244198.db2.gz ORLYZEQDTOCTFM-OAHLLOKOSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C1CC1 ZINC000420059306 1072244582 /nfs/dbraw/zinc/24/45/82/1072244582.db2.gz JLOGQDOMBSXVFJ-CABCVRRESA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C1CC1 ZINC000420059308 1072244590 /nfs/dbraw/zinc/24/45/90/1072244590.db2.gz JLOGQDOMBSXVFJ-GJZGRUSLSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C1CC1 ZINC000420059311 1072244465 /nfs/dbraw/zinc/24/44/65/1072244465.db2.gz JLOGQDOMBSXVFJ-HUUCEWRRSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C1CC1 ZINC000420059313 1072244293 /nfs/dbraw/zinc/24/42/93/1072244293.db2.gz JLOGQDOMBSXVFJ-LSDHHAIUSA-N 1 0 386.518 -0.307 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000420059491 1072244165 /nfs/dbraw/zinc/24/41/65/1072244165.db2.gz PKCNIQXMZDLJRC-UHFFFAOYSA-N 1 0 380.470 -0.557 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)C1CCCC1 ZINC000420059669 1072244360 /nfs/dbraw/zinc/24/43/60/1072244360.db2.gz PEPJXMVKPWSMDK-HNNXBMFYSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)C1CCCC1 ZINC000420059670 1072244307 /nfs/dbraw/zinc/24/43/07/1072244307.db2.gz PEPJXMVKPWSMDK-OAHLLOKOSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000420060777 1072244324 /nfs/dbraw/zinc/24/43/24/1072244324.db2.gz KTXZMQGLIKPUAW-MSOLQXFVSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000420060780 1072244533 /nfs/dbraw/zinc/24/45/33/1072244533.db2.gz KTXZMQGLIKPUAW-QZTJIDSGSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000420060783 1072244657 /nfs/dbraw/zinc/24/46/57/1072244657.db2.gz KTXZMQGLIKPUAW-ROUUACIJSA-N 1 0 399.495 -0.210 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000420060785 1072244740 /nfs/dbraw/zinc/24/47/40/1072244740.db2.gz KTXZMQGLIKPUAW-ZWKOTPCHSA-N 1 0 399.495 -0.210 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000420061008 1072244600 /nfs/dbraw/zinc/24/46/00/1072244600.db2.gz QZPBCZFHOCSDDO-UHFFFAOYSA-N 1 0 398.485 -0.618 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C1 ZINC000420061053 1072244232 /nfs/dbraw/zinc/24/42/32/1072244232.db2.gz RJXBLRYVMFMLLZ-GASCZTMLSA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C1 ZINC000420061054 1072244367 /nfs/dbraw/zinc/24/43/67/1072244367.db2.gz RJXBLRYVMFMLLZ-GJZGRUSLSA-N 1 0 381.521 -0.511 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C1 ZINC000420061055 1072244632 /nfs/dbraw/zinc/24/46/32/1072244632.db2.gz RJXBLRYVMFMLLZ-HUUCEWRRSA-N 1 0 381.521 -0.511 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)ncn1 ZINC000420061313 1072244296 /nfs/dbraw/zinc/24/42/96/1072244296.db2.gz ATBIBJPZRVTRPH-AWEZNQCLSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)ncn1 ZINC000420061316 1072244285 /nfs/dbraw/zinc/24/42/85/1072244285.db2.gz ATBIBJPZRVTRPH-CQSZACIVSA-N 1 0 376.461 -0.233 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C1CCCC1 ZINC000420061402 1072244545 /nfs/dbraw/zinc/24/45/45/1072244545.db2.gz AWDVWKOBKXHIJY-CABCVRRESA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1CCCC1 ZINC000420061404 1072244520 /nfs/dbraw/zinc/24/45/20/1072244520.db2.gz AWDVWKOBKXHIJY-GJZGRUSLSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)C1CCCC1 ZINC000420061406 1072244319 /nfs/dbraw/zinc/24/43/19/1072244319.db2.gz AWDVWKOBKXHIJY-HUUCEWRRSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1CCCC1 ZINC000420061408 1072244205 /nfs/dbraw/zinc/24/42/05/1072244205.db2.gz AWDVWKOBKXHIJY-LSDHHAIUSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000420061845 1072244183 /nfs/dbraw/zinc/24/41/83/1072244183.db2.gz LSKUAQWQERPMEE-INIZCTEOSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000420061847 1072244192 /nfs/dbraw/zinc/24/41/92/1072244192.db2.gz LSKUAQWQERPMEE-MRXNPFEDSA-N 1 0 394.497 -0.237 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)n1 ZINC000420061958 1072244751 /nfs/dbraw/zinc/24/47/51/1072244751.db2.gz MCYNHFQOZLXLBU-AWEZNQCLSA-N 1 0 376.461 -0.233 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)n1 ZINC000420061960 1072244782 /nfs/dbraw/zinc/24/47/82/1072244782.db2.gz MCYNHFQOZLXLBU-CQSZACIVSA-N 1 0 376.461 -0.233 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C1CCCC1 ZINC000420062853 1072244343 /nfs/dbraw/zinc/24/43/43/1072244343.db2.gz SAWNHDSLLIXXEZ-CABCVRRESA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)C1CCCC1 ZINC000420062856 1072245271 /nfs/dbraw/zinc/24/52/71/1072245271.db2.gz SAWNHDSLLIXXEZ-GJZGRUSLSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C1CCCC1 ZINC000420062858 1072245420 /nfs/dbraw/zinc/24/54/20/1072245420.db2.gz SAWNHDSLLIXXEZ-HUUCEWRRSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)C1CCCC1 ZINC000420062861 1072245123 /nfs/dbraw/zinc/24/51/23/1072245123.db2.gz SAWNHDSLLIXXEZ-LSDHHAIUSA-N 1 0 386.518 -0.353 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000420063734 1072245518 /nfs/dbraw/zinc/24/55/18/1072245518.db2.gz VAOXTZTUNFDAID-UHFFFAOYSA-N 1 0 379.436 -0.238 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1)C1CCCCC1 ZINC000420063752 1072245827 /nfs/dbraw/zinc/24/58/27/1072245827.db2.gz VCPFFKZSSLPVNY-UHFFFAOYSA-N 1 0 381.521 -0.225 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CC1 ZINC000420063827 1072248606 /nfs/dbraw/zinc/24/86/06/1072248606.db2.gz NXDQZDWBUXFESC-HNNXBMFYSA-N 1 0 392.481 -0.557 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CC1 ZINC000420063831 1072248416 /nfs/dbraw/zinc/24/84/16/1072248416.db2.gz NXDQZDWBUXFESC-OAHLLOKOSA-N 1 0 392.481 -0.557 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000420063946 1072251678 /nfs/dbraw/zinc/25/16/78/1072251678.db2.gz NYAZTFTZNJOGEI-GDBMZVCRSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000420063947 1072251731 /nfs/dbraw/zinc/25/17/31/1072251731.db2.gz NYAZTFTZNJOGEI-GOEBONIOSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000420063948 1072251578 /nfs/dbraw/zinc/25/15/78/1072251578.db2.gz NYAZTFTZNJOGEI-HOCLYGCPSA-N 1 0 375.473 -0.045 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000420063949 1072251663 /nfs/dbraw/zinc/25/16/63/1072251663.db2.gz NYAZTFTZNJOGEI-ZBFHGGJFSA-N 1 0 375.473 -0.045 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420064264 1072251516 /nfs/dbraw/zinc/25/15/16/1072251516.db2.gz OHNJHXVMMFPLOZ-DZGCQCFKSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420064266 1072251610 /nfs/dbraw/zinc/25/16/10/1072251610.db2.gz OHNJHXVMMFPLOZ-HIFRSBDPSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420064268 1072251723 /nfs/dbraw/zinc/25/17/23/1072251723.db2.gz OHNJHXVMMFPLOZ-UKRRQHHQSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000420064271 1072251978 /nfs/dbraw/zinc/25/19/78/1072251978.db2.gz OHNJHXVMMFPLOZ-ZFWWWQNUSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420064511 1072245139 /nfs/dbraw/zinc/24/51/39/1072245139.db2.gz ORZCFCWDXQNTBS-KBPBESRZSA-N 1 0 386.460 -0.593 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420064513 1072245163 /nfs/dbraw/zinc/24/51/63/1072245163.db2.gz ORZCFCWDXQNTBS-KGLIPLIRSA-N 1 0 386.460 -0.593 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420064515 1072245383 /nfs/dbraw/zinc/24/53/83/1072245383.db2.gz ORZCFCWDXQNTBS-UONOGXRCSA-N 1 0 386.460 -0.593 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000420064516 1072245507 /nfs/dbraw/zinc/24/55/07/1072245507.db2.gz ORZCFCWDXQNTBS-ZIAGYGMSSA-N 1 0 386.460 -0.593 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420064753 1072251946 /nfs/dbraw/zinc/25/19/46/1072251946.db2.gz USJBVNMNKRUDKX-HNNXBMFYSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420064755 1072251693 /nfs/dbraw/zinc/25/16/93/1072251693.db2.gz USJBVNMNKRUDKX-OAHLLOKOSA-N 1 0 388.472 -0.537 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000420064756 1072251749 /nfs/dbraw/zinc/25/17/49/1072251749.db2.gz WLCPTXPQOHVAAB-UHFFFAOYSA-N 1 0 382.486 -0.319 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420065001 1072251902 /nfs/dbraw/zinc/25/19/02/1072251902.db2.gz PKAYCDBWISALMI-KRWDZBQOSA-N 1 0 388.468 -0.102 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420065002 1072251992 /nfs/dbraw/zinc/25/19/92/1072251992.db2.gz PKAYCDBWISALMI-QGZVFWFLSA-N 1 0 388.468 -0.102 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1C ZINC000420065235 1072251528 /nfs/dbraw/zinc/25/15/28/1072251528.db2.gz XKQDRYHQNQGHOL-UHFFFAOYSA-N 1 0 396.513 -0.010 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000420065306 1072251837 /nfs/dbraw/zinc/25/18/37/1072251837.db2.gz PMKGMHDXZVURQL-DZKIICNBSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000420065307 1072251488 /nfs/dbraw/zinc/25/14/88/1072251488.db2.gz PMKGMHDXZVURQL-LZWOXQAQSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000420065308 1072251816 /nfs/dbraw/zinc/25/18/16/1072251816.db2.gz PMKGMHDXZVURQL-OFQRWUPVSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000420065309 1072251775 /nfs/dbraw/zinc/25/17/75/1072251775.db2.gz PMKGMHDXZVURQL-SQWLQELKSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420065818 1072252511 /nfs/dbraw/zinc/25/25/11/1072252511.db2.gz QKZMIHLFQVFURE-GDBMZVCRSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420065819 1072252758 /nfs/dbraw/zinc/25/27/58/1072252758.db2.gz QKZMIHLFQVFURE-GOEBONIOSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420065820 1072252817 /nfs/dbraw/zinc/25/28/17/1072252817.db2.gz QKZMIHLFQVFURE-HOCLYGCPSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420065821 1072252728 /nfs/dbraw/zinc/25/27/28/1072252728.db2.gz QKZMIHLFQVFURE-ZBFHGGJFSA-N 1 0 379.505 -0.615 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cs1 ZINC000420066003 530350041 /nfs/dbraw/zinc/35/00/41/530350041.db2.gz YLBLTZINQBVMKJ-UHFFFAOYSA-N 1 0 389.503 -0.862 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000420066197 1072252614 /nfs/dbraw/zinc/25/26/14/1072252614.db2.gz QUVOMDJAYYYYBG-INIZCTEOSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000420066198 1072252655 /nfs/dbraw/zinc/25/26/55/1072252655.db2.gz QUVOMDJAYYYYBG-MRXNPFEDSA-N 1 0 379.505 -0.613 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)s1 ZINC000420066551 1072248366 /nfs/dbraw/zinc/24/83/66/1072248366.db2.gz RBLOTJXMANJENF-GFCCVEGCSA-N 1 0 395.485 -0.178 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)s1 ZINC000420066552 1072248592 /nfs/dbraw/zinc/24/85/92/1072248592.db2.gz RBLOTJXMANJENF-LBPRGKRZSA-N 1 0 395.485 -0.178 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420066680 1072249282 /nfs/dbraw/zinc/24/92/82/1072249282.db2.gz QWVSUGKWLDAZMF-RFGFWPKPSA-N 1 0 385.461 -0.215 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420066684 1072249495 /nfs/dbraw/zinc/24/94/95/1072249495.db2.gz QWVSUGKWLDAZMF-XDQVBPFNSA-N 1 0 385.461 -0.215 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420066685 1072249446 /nfs/dbraw/zinc/24/94/46/1072249446.db2.gz QWVSUGKWLDAZMF-XUXIUFHCSA-N 1 0 385.461 -0.215 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420066686 1072249035 /nfs/dbraw/zinc/24/90/35/1072249035.db2.gz QWVSUGKWLDAZMF-ZOBORPQBSA-N 1 0 385.461 -0.215 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420066972 1072248513 /nfs/dbraw/zinc/24/85/13/1072248513.db2.gz REELEYNYTHJYGT-FMKPAKJESA-N 1 0 379.505 -0.569 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420066973 1072248142 /nfs/dbraw/zinc/24/81/42/1072248142.db2.gz REELEYNYTHJYGT-IIAWOOMASA-N 1 0 379.505 -0.569 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420066974 1072248249 /nfs/dbraw/zinc/24/82/49/1072248249.db2.gz REELEYNYTHJYGT-IJEWVQPXSA-N 1 0 379.505 -0.569 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420066975 1072249262 /nfs/dbraw/zinc/24/92/62/1072249262.db2.gz REELEYNYTHJYGT-YCPHGPKFSA-N 1 0 379.505 -0.569 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000420066988 1072249054 /nfs/dbraw/zinc/24/90/54/1072249054.db2.gz RGEYWJDGZPNGTF-KKUMJFAQSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000420066991 1072249395 /nfs/dbraw/zinc/24/93/95/1072249395.db2.gz RGEYWJDGZPNGTF-RRFJBIMHSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000420066993 1072249087 /nfs/dbraw/zinc/24/90/87/1072249087.db2.gz RGEYWJDGZPNGTF-SOUVJXGZSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000420066995 1072249527 /nfs/dbraw/zinc/24/95/27/1072249527.db2.gz RGEYWJDGZPNGTF-ZNMIVQPWSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CC1 ZINC000420067097 1072248586 /nfs/dbraw/zinc/24/85/86/1072248586.db2.gz RWZZBCXTCQXZAF-INIZCTEOSA-N 1 0 391.447 -0.238 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CC1 ZINC000420067099 1072248355 /nfs/dbraw/zinc/24/83/55/1072248355.db2.gz RWZZBCXTCQXZAF-MRXNPFEDSA-N 1 0 391.447 -0.238 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)CC2 ZINC000420067650 1072249007 /nfs/dbraw/zinc/24/90/07/1072249007.db2.gz SBGLPLFJIGDCBG-APIJFGDWSA-N 1 0 383.489 -0.006 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)CC2 ZINC000420067651 1072249514 /nfs/dbraw/zinc/24/95/14/1072249514.db2.gz SBGLPLFJIGDCBG-CBBWQLFWSA-N 1 0 383.489 -0.006 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)CC2 ZINC000420067652 1072249227 /nfs/dbraw/zinc/24/92/27/1072249227.db2.gz SBGLPLFJIGDCBG-LJISPDSOSA-N 1 0 383.489 -0.006 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CC2 ZINC000420067653 1072249483 /nfs/dbraw/zinc/24/94/83/1072249483.db2.gz SBGLPLFJIGDCBG-ZQDZILKHSA-N 1 0 383.489 -0.006 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420068041 1072249073 /nfs/dbraw/zinc/24/90/73/1072249073.db2.gz UAJRCCCZIIHXBF-INIZCTEOSA-N 1 0 394.497 -0.319 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420068042 1072249357 /nfs/dbraw/zinc/24/93/57/1072249357.db2.gz UAJRCCCZIIHXBF-MRXNPFEDSA-N 1 0 394.497 -0.319 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420068298 1072248974 /nfs/dbraw/zinc/24/89/74/1072248974.db2.gz SYRBKRQNGYHMHD-IPYPFGDCSA-N 1 0 395.504 -0.973 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420068299 1072249096 /nfs/dbraw/zinc/24/90/96/1072249096.db2.gz SYRBKRQNGYHMHD-KCQAQPDRSA-N 1 0 395.504 -0.973 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420068300 1072249304 /nfs/dbraw/zinc/24/93/04/1072249304.db2.gz SYRBKRQNGYHMHD-VNHYZAJKSA-N 1 0 395.504 -0.973 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420068301 1072249411 /nfs/dbraw/zinc/24/94/11/1072249411.db2.gz SYRBKRQNGYHMHD-YDHLFZDLSA-N 1 0 395.504 -0.973 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000420068401 1072249129 /nfs/dbraw/zinc/24/91/29/1072249129.db2.gz USOSPSORVDMGBF-BFYDXBDKSA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000420068402 1072248992 /nfs/dbraw/zinc/24/89/92/1072248992.db2.gz USOSPSORVDMGBF-HLLBOEOZSA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000420068403 1072249240 /nfs/dbraw/zinc/24/92/40/1072249240.db2.gz USOSPSORVDMGBF-INMHGKMJSA-N 1 0 393.532 -0.511 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000420068404 1072249522 /nfs/dbraw/zinc/24/95/22/1072249522.db2.gz USOSPSORVDMGBF-UXLLHSPISA-N 1 0 393.532 -0.511 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000420068679 1072249148 /nfs/dbraw/zinc/24/91/48/1072249148.db2.gz UXIBBWMFSIQZQG-HNNXBMFYSA-N 1 0 398.460 -0.488 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000420068680 1072249274 /nfs/dbraw/zinc/24/92/74/1072249274.db2.gz UXIBBWMFSIQZQG-OAHLLOKOSA-N 1 0 398.460 -0.488 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000420069843 1072249025 /nfs/dbraw/zinc/24/90/25/1072249025.db2.gz IQYZTEQIFOWVRI-AWEZNQCLSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000420069846 1072249341 /nfs/dbraw/zinc/24/93/41/1072249341.db2.gz IQYZTEQIFOWVRI-CQSZACIVSA-N 1 0 376.461 -0.233 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420072085 1072249141 /nfs/dbraw/zinc/24/91/41/1072249141.db2.gz MDYQKHWDNUXJLC-CABCVRRESA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420072086 1072249115 /nfs/dbraw/zinc/24/91/15/1072249115.db2.gz MDYQKHWDNUXJLC-GJZGRUSLSA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420072087 1072249333 /nfs/dbraw/zinc/24/93/33/1072249333.db2.gz MDYQKHWDNUXJLC-HUUCEWRRSA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420072089 1072249392 /nfs/dbraw/zinc/24/93/92/1072249392.db2.gz MDYQKHWDNUXJLC-LSDHHAIUSA-N 1 0 388.534 -0.060 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000420072298 1072249062 /nfs/dbraw/zinc/24/90/62/1072249062.db2.gz YYMROTDRLXKXTK-HNNXBMFYSA-N 1 0 382.486 -0.415 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000420072299 1072249364 /nfs/dbraw/zinc/24/93/64/1072249364.db2.gz YYMROTDRLXKXTK-OAHLLOKOSA-N 1 0 382.486 -0.415 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)nc2ccccc12 ZINC000420072570 1072249427 /nfs/dbraw/zinc/24/94/27/1072249427.db2.gz YZVJERUNMGHUHM-INIZCTEOSA-N 1 0 397.483 -0.290 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)nc2ccccc12 ZINC000420072571 1072249248 /nfs/dbraw/zinc/24/92/48/1072249248.db2.gz YZVJERUNMGHUHM-MRXNPFEDSA-N 1 0 397.483 -0.290 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1 ZINC000420072811 1072250115 /nfs/dbraw/zinc/25/01/15/1072250115.db2.gz ZRGDVVXKFZUURK-INIZCTEOSA-N 1 0 376.432 -0.108 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1 ZINC000420072813 1072249995 /nfs/dbraw/zinc/24/99/95/1072249995.db2.gz ZRGDVVXKFZUURK-MRXNPFEDSA-N 1 0 376.432 -0.108 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000420072875 1072249928 /nfs/dbraw/zinc/24/99/28/1072249928.db2.gz FWDCVJHLPXCSTE-DLBZAZTESA-N 1 0 384.436 -0.071 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000420072877 1072250429 /nfs/dbraw/zinc/25/04/29/1072250429.db2.gz FWDCVJHLPXCSTE-IAGOWNOFSA-N 1 0 384.436 -0.071 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000420072879 1072250442 /nfs/dbraw/zinc/25/04/42/1072250442.db2.gz FWDCVJHLPXCSTE-IRXDYDNUSA-N 1 0 384.436 -0.071 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000420072881 1072249839 /nfs/dbraw/zinc/24/98/39/1072249839.db2.gz FWDCVJHLPXCSTE-SJORKVTESA-N 1 0 384.436 -0.071 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420073532 1072249542 /nfs/dbraw/zinc/24/95/42/1072249542.db2.gz YFIXNMAMMMLTOF-DZGCQCFKSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420073533 1072249506 /nfs/dbraw/zinc/24/95/06/1072249506.db2.gz YFIXNMAMMMLTOF-HIFRSBDPSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420073534 1072249537 /nfs/dbraw/zinc/24/95/37/1072249537.db2.gz YFIXNMAMMMLTOF-UKRRQHHQSA-N 1 0 388.472 -0.537 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420073535 1072249295 /nfs/dbraw/zinc/24/92/95/1072249295.db2.gz YFIXNMAMMMLTOF-ZFWWWQNUSA-N 1 0 388.472 -0.537 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420073536 1072249402 /nfs/dbraw/zinc/24/94/02/1072249402.db2.gz YFSYLUIVYPPGLM-BRWVUGGUSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420073537 1072249532 /nfs/dbraw/zinc/24/95/32/1072249532.db2.gz YFSYLUIVYPPGLM-IKGGRYGDSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420073538 1072250062 /nfs/dbraw/zinc/25/00/62/1072250062.db2.gz YFSYLUIVYPPGLM-IXDOHACOSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420073539 1072250392 /nfs/dbraw/zinc/25/03/92/1072250392.db2.gz YFSYLUIVYPPGLM-ZACQAIPSSA-N 1 0 393.532 -0.225 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420073614 1072250250 /nfs/dbraw/zinc/25/02/50/1072250250.db2.gz YKEZSAJTVHYCGN-DOMZBBRYSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420073615 1072250019 /nfs/dbraw/zinc/25/00/19/1072250019.db2.gz YKEZSAJTVHYCGN-IUODEOHRSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420073617 1072250351 /nfs/dbraw/zinc/25/03/51/1072250351.db2.gz YKEZSAJTVHYCGN-SWLSCSKDSA-N 1 0 386.518 -0.307 20 0 GBADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420073618 1072249858 /nfs/dbraw/zinc/24/98/58/1072249858.db2.gz YKEZSAJTVHYCGN-WFASDCNBSA-N 1 0 386.518 -0.307 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000420073779 1072250232 /nfs/dbraw/zinc/25/02/32/1072250232.db2.gz YTFIDLYRDCLCHR-AXFHLTTASA-N 1 0 394.394 -0.257 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000420073780 1072250384 /nfs/dbraw/zinc/25/03/84/1072250384.db2.gz YTFIDLYRDCLCHR-DCAQKATOSA-N 1 0 394.394 -0.257 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000420073781 1072250103 /nfs/dbraw/zinc/25/01/03/1072250103.db2.gz YTFIDLYRDCLCHR-GARJFASQSA-N 1 0 394.394 -0.257 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000420073782 1072249816 /nfs/dbraw/zinc/24/98/16/1072249816.db2.gz YTFIDLYRDCLCHR-HBNTYKKESA-N 1 0 394.394 -0.257 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000420073857 1072250414 /nfs/dbraw/zinc/25/04/14/1072250414.db2.gz GYCNWUXJIAZZFI-KRWDZBQOSA-N 1 0 384.436 -0.071 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000420073858 1072250204 /nfs/dbraw/zinc/25/02/04/1072250204.db2.gz GYCNWUXJIAZZFI-QGZVFWFLSA-N 1 0 384.436 -0.071 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000420074632 1072250043 /nfs/dbraw/zinc/25/00/43/1072250043.db2.gz IBZRJCUIRUPNJV-UHFFFAOYSA-N 1 0 387.484 -0.427 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420074638 1072250316 /nfs/dbraw/zinc/25/03/16/1072250316.db2.gz IDTDOUOJIYAJNM-UHFFFAOYSA-N 1 0 391.472 -0.369 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1C(=O)c1cnn(C)c1 ZINC000420075105 1072250191 /nfs/dbraw/zinc/25/01/91/1072250191.db2.gz RPPMPQYGAXECDS-BBRMVZONSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1C(=O)c1cnn(C)c1 ZINC000420075106 1072249951 /nfs/dbraw/zinc/24/99/51/1072249951.db2.gz RPPMPQYGAXECDS-XJKSGUPXSA-N 1 0 390.488 -0.273 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420075142 1072250164 /nfs/dbraw/zinc/25/01/64/1072250164.db2.gz RVBVIPRGHZZMTO-DOTOQJQBSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420075143 1072250378 /nfs/dbraw/zinc/25/03/78/1072250378.db2.gz RVBVIPRGHZZMTO-NVXWUHKLSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420075144 1072250461 /nfs/dbraw/zinc/25/04/61/1072250461.db2.gz RVBVIPRGHZZMTO-RDJZCZTQSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420075145 1072250368 /nfs/dbraw/zinc/25/03/68/1072250368.db2.gz RVBVIPRGHZZMTO-WBVHZDCISA-N 1 0 393.532 -0.225 20 0 GBADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000420075270 1072249914 /nfs/dbraw/zinc/24/99/14/1072249914.db2.gz JPFUELNKOKSDPP-UHFFFAOYSA-N 1 0 376.413 -0.447 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000420075594 1072250402 /nfs/dbraw/zinc/25/04/02/1072250402.db2.gz KGVRISOEOWJRMX-UHFFFAOYSA-N 1 0 392.456 -0.158 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCCC1 ZINC000420075986 1072249941 /nfs/dbraw/zinc/24/99/41/1072249941.db2.gz UXZGHCOROSFOIC-BEFAXECRSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCCC1 ZINC000420075987 1072250136 /nfs/dbraw/zinc/25/01/36/1072250136.db2.gz UXZGHCOROSFOIC-DNVCBOLYSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CCCC1 ZINC000420075988 1072250455 /nfs/dbraw/zinc/25/04/55/1072250455.db2.gz UXZGHCOROSFOIC-HNAYVOBHSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CCCC1 ZINC000420075989 1072249988 /nfs/dbraw/zinc/24/99/88/1072249988.db2.gz UXZGHCOROSFOIC-KXBFYZLASA-N 1 0 380.489 -0.404 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1OC ZINC000420076964 1072250142 /nfs/dbraw/zinc/25/01/42/1072250142.db2.gz MQSXNIBETCQTIE-UHFFFAOYSA-N 1 0 392.456 -0.158 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCC[NH2+]C1 ZINC000420077351 1072250397 /nfs/dbraw/zinc/25/03/97/1072250397.db2.gz ALQLVVCIUBKYNF-IBGZPJMESA-N 1 0 388.472 -0.665 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCC[NH2+]C1 ZINC000420077352 1072250053 /nfs/dbraw/zinc/25/00/53/1072250053.db2.gz ALQLVVCIUBKYNF-LJQANCHMSA-N 1 0 388.472 -0.665 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420077495 530350058 /nfs/dbraw/zinc/35/00/58/530350058.db2.gz COGSQFMTWGFRFS-UHFFFAOYSA-N 1 0 376.523 -0.060 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CCCC1 ZINC000420077632 1072250125 /nfs/dbraw/zinc/25/01/25/1072250125.db2.gz YKGMARMCNDZXLE-CVEARBPZSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1CCCC1 ZINC000420077633 1072251117 /nfs/dbraw/zinc/25/11/17/1072251117.db2.gz YKGMARMCNDZXLE-HOTGVXAUSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CCCC1 ZINC000420077634 1072251078 /nfs/dbraw/zinc/25/10/78/1072251078.db2.gz YKGMARMCNDZXLE-HZPDHXFCSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1CCCC1 ZINC000420077635 1072251038 /nfs/dbraw/zinc/25/10/38/1072251038.db2.gz YKGMARMCNDZXLE-JKSUJKDBSA-N 1 0 380.489 -0.283 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCC[NH2+]C1 ZINC000420077700 1072250947 /nfs/dbraw/zinc/25/09/47/1072250947.db2.gz AQEMBPBKVOKOHV-IBGZPJMESA-N 1 0 379.505 -0.741 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCC[NH2+]C1 ZINC000420077701 1072251133 /nfs/dbraw/zinc/25/11/33/1072251133.db2.gz AQEMBPBKVOKOHV-LJQANCHMSA-N 1 0 379.505 -0.741 20 0 GBADRO 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C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420105220 1072252476 /nfs/dbraw/zinc/25/24/76/1072252476.db2.gz ULMVYUAWQNZTPZ-GMXABZIVSA-N 1 0 380.395 -0.127 20 0 GBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420105224 1072253261 /nfs/dbraw/zinc/25/32/61/1072253261.db2.gz ULMVYUAWQNZTPZ-HCKVZZMMSA-N 1 0 380.395 -0.127 20 0 GBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420105228 1072253397 /nfs/dbraw/zinc/25/33/97/1072253397.db2.gz ULMVYUAWQNZTPZ-IFUGULHKSA-N 1 0 380.395 -0.127 20 0 GBADRO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420105229 1072253462 /nfs/dbraw/zinc/25/34/62/1072253462.db2.gz ULMVYUAWQNZTPZ-IXPVHAAZSA-N 1 0 380.395 -0.127 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000420105412 1072252660 /nfs/dbraw/zinc/25/26/60/1072252660.db2.gz QMSYMYBQVSVJMT-GOSISDBHSA-N 1 0 376.461 -0.360 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)n1 ZINC000420105414 1072252904 /nfs/dbraw/zinc/25/29/04/1072252904.db2.gz QMSYMYBQVSVJMT-SFHVURJKSA-N 1 0 376.461 -0.360 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CCC[NH2+]C1 ZINC000420105624 1072253228 /nfs/dbraw/zinc/25/32/28/1072253228.db2.gz QUTICIOJRYYKJK-FQEVSTJZSA-N 1 0 387.484 -0.060 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CCC[NH2+]C1 ZINC000420105625 1072253314 /nfs/dbraw/zinc/25/33/14/1072253314.db2.gz QUTICIOJRYYKJK-HXUWFJFHSA-N 1 0 387.484 -0.060 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000420106226 1072253270 /nfs/dbraw/zinc/25/32/70/1072253270.db2.gz VZRZVOMBRHESKN-UHFFFAOYSA-N 1 0 392.522 -0.869 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1S(C)(=O)=O ZINC000420106386 1072253441 /nfs/dbraw/zinc/25/34/41/1072253441.db2.gz UMEWCIYTYRPHNY-LBPRGKRZSA-N 1 0 380.470 -0.602 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 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YDKDWSOQPJOZIZ-LALPHHSUSA-N 1 0 395.410 -0.204 20 0 GBADRO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420108373 1072253307 /nfs/dbraw/zinc/25/33/07/1072253307.db2.gz YDKDWSOQPJOZIZ-TYNCELHUSA-N 1 0 395.410 -0.204 20 0 GBADRO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420108376 1072253515 /nfs/dbraw/zinc/25/35/15/1072253515.db2.gz YDKDWSOQPJOZIZ-XUJVJEKNSA-N 1 0 395.410 -0.204 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420108521 1072253240 /nfs/dbraw/zinc/25/32/40/1072253240.db2.gz CJTCSOKCHVDFSR-GDBMZVCRSA-N 1 0 394.497 -0.366 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420108522 1072253324 /nfs/dbraw/zinc/25/33/24/1072253324.db2.gz CJTCSOKCHVDFSR-GOEBONIOSA-N 1 0 394.497 -0.366 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420108523 1072253431 /nfs/dbraw/zinc/25/34/31/1072253431.db2.gz CJTCSOKCHVDFSR-HOCLYGCPSA-N 1 0 394.497 -0.366 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420108524 1072253404 /nfs/dbraw/zinc/25/34/04/1072253404.db2.gz CJTCSOKCHVDFSR-ZBFHGGJFSA-N 1 0 394.497 -0.366 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420108680 1072253249 /nfs/dbraw/zinc/25/32/49/1072253249.db2.gz XRPCZQDIIXBFKA-AWEZNQCLSA-N 1 0 399.495 -0.283 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420108682 1072253366 /nfs/dbraw/zinc/25/33/66/1072253366.db2.gz XRPCZQDIIXBFKA-CQSZACIVSA-N 1 0 399.495 -0.283 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1)N1CCCC1 ZINC000420110475 1072253288 /nfs/dbraw/zinc/25/32/88/1072253288.db2.gz ZNYHSJOEVWEVCA-UHFFFAOYSA-N 1 0 399.495 -0.327 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)nc2ccccc12 ZINC000420111081 1072254080 /nfs/dbraw/zinc/25/40/80/1072254080.db2.gz CENCCFKZOAOHAM-UHFFFAOYSA-N 1 0 397.483 -0.146 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000420112898 1072254029 /nfs/dbraw/zinc/25/40/29/1072254029.db2.gz BLBRBXNXYKURDN-AWEZNQCLSA-N 1 0 392.522 -0.869 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000420112900 1072254245 /nfs/dbraw/zinc/25/42/45/1072254245.db2.gz BLBRBXNXYKURDN-CQSZACIVSA-N 1 0 392.522 -0.869 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000420113426 1072254008 /nfs/dbraw/zinc/25/40/08/1072254008.db2.gz CFTBPKAWMMCYPN-CYBMUJFWSA-N 1 0 376.461 -0.537 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000420113428 1072254351 /nfs/dbraw/zinc/25/43/51/1072254351.db2.gz CFTBPKAWMMCYPN-ZDUSSCGKSA-N 1 0 376.461 -0.537 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000420114481 1072254100 /nfs/dbraw/zinc/25/41/00/1072254100.db2.gz FVQILRKMPVGYKM-BMFZPTHFSA-N 1 0 386.452 -0.113 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000420114483 1072254054 /nfs/dbraw/zinc/25/40/54/1072254054.db2.gz FVQILRKMPVGYKM-IMJJTQAJSA-N 1 0 386.452 -0.113 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000420115858 1072256161 /nfs/dbraw/zinc/25/61/61/1072256161.db2.gz GTJGEFGARSRXBC-GFCCVEGCSA-N 1 0 376.413 -0.576 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000420115864 1072256256 /nfs/dbraw/zinc/25/62/56/1072256256.db2.gz GTJGEFGARSRXBC-LBPRGKRZSA-N 1 0 376.413 -0.576 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420116074 1072255788 /nfs/dbraw/zinc/25/57/88/1072255788.db2.gz HEJUGAVLHBVBBO-CABCVRRESA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420116075 1072255562 /nfs/dbraw/zinc/25/55/62/1072255562.db2.gz HEJUGAVLHBVBBO-GJZGRUSLSA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420116076 1072255574 /nfs/dbraw/zinc/25/55/74/1072255574.db2.gz HEJUGAVLHBVBBO-HUUCEWRRSA-N 1 0 382.505 -0.118 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420116078 1072255487 /nfs/dbraw/zinc/25/54/87/1072255487.db2.gz HEJUGAVLHBVBBO-LSDHHAIUSA-N 1 0 382.505 -0.118 20 0 GBADRO CC1(CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC[NH2+]CC1 ZINC000420116093 1072255796 /nfs/dbraw/zinc/25/57/96/1072255796.db2.gz HHXQXJCJMVTDGD-AWEZNQCLSA-N 1 0 388.534 -0.187 20 0 GBADRO CC1(CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC[NH2+]CC1 ZINC000420116094 1072256157 /nfs/dbraw/zinc/25/61/57/1072256157.db2.gz HHXQXJCJMVTDGD-CQSZACIVSA-N 1 0 388.534 -0.187 20 0 GBADRO CC1(CNC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC[NH2+]CC1 ZINC000420116132 1072256452 /nfs/dbraw/zinc/25/64/52/1072256452.db2.gz HNEJBYZKMBQTEN-UHFFFAOYSA-N 1 0 386.518 -0.435 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000420116467 530350311 /nfs/dbraw/zinc/35/03/11/530350311.db2.gz GHAVGAZEOAPRJZ-KBPBESRZSA-N 1 0 376.523 -0.060 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000420116470 530350067 /nfs/dbraw/zinc/35/00/67/530350067.db2.gz GHAVGAZEOAPRJZ-KGLIPLIRSA-N 1 0 376.523 -0.060 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000420116473 530350178 /nfs/dbraw/zinc/35/01/78/530350178.db2.gz GHAVGAZEOAPRJZ-UONOGXRCSA-N 1 0 376.523 -0.060 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000420116477 530350219 /nfs/dbraw/zinc/35/02/19/530350219.db2.gz GHAVGAZEOAPRJZ-ZIAGYGMSSA-N 1 0 376.523 -0.060 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420117570 1072256441 /nfs/dbraw/zinc/25/64/41/1072256441.db2.gz JGRNXESWTKODQI-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420117572 1072256280 /nfs/dbraw/zinc/25/62/80/1072256280.db2.gz JGRNXESWTKODQI-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420119019 1072256362 /nfs/dbraw/zinc/25/63/62/1072256362.db2.gz KNDHSYOADSXXFX-UHFFFAOYSA-N 1 0 381.521 -0.495 20 0 GBADRO CC1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC[NH2+]CC1 ZINC000420119481 1072256230 /nfs/dbraw/zinc/25/62/30/1072256230.db2.gz KXRYGYABSKBPJB-UHFFFAOYSA-N 1 0 387.484 -0.060 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420119510 1072256172 /nfs/dbraw/zinc/25/61/72/1072256172.db2.gz JDDNIPOPWKGQQN-DOMZBBRYSA-N 1 0 382.486 -0.137 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420119513 1072256384 /nfs/dbraw/zinc/25/63/84/1072256384.db2.gz JDDNIPOPWKGQQN-IUODEOHRSA-N 1 0 382.486 -0.137 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420119516 1072256486 /nfs/dbraw/zinc/25/64/86/1072256486.db2.gz JDDNIPOPWKGQQN-SWLSCSKDSA-N 1 0 382.486 -0.137 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420119519 1072256236 /nfs/dbraw/zinc/25/62/36/1072256236.db2.gz JDDNIPOPWKGQQN-WFASDCNBSA-N 1 0 382.486 -0.137 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)n1 ZINC000420120025 1072256166 /nfs/dbraw/zinc/25/61/66/1072256166.db2.gz LRVMYWJCWDGNJW-UHFFFAOYSA-N 1 0 376.461 -0.360 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420120339 1072256398 /nfs/dbraw/zinc/25/63/98/1072256398.db2.gz OKKGQTOBJPTYTJ-IPYPFGDCSA-N 1 0 376.461 -0.793 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420120342 1072256180 /nfs/dbraw/zinc/25/61/80/1072256180.db2.gz OKKGQTOBJPTYTJ-KCQAQPDRSA-N 1 0 376.461 -0.793 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420120346 1072256329 /nfs/dbraw/zinc/25/63/29/1072256329.db2.gz OKKGQTOBJPTYTJ-VNHYZAJKSA-N 1 0 376.461 -0.793 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420120349 1072256339 /nfs/dbraw/zinc/25/63/39/1072256339.db2.gz OKKGQTOBJPTYTJ-YDHLFZDLSA-N 1 0 376.461 -0.793 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000420120490 1072256242 /nfs/dbraw/zinc/25/62/42/1072256242.db2.gz LXGIIMJBAWZCJQ-KRWDZBQOSA-N 1 0 386.518 -0.435 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000420120491 1072256349 /nfs/dbraw/zinc/25/63/49/1072256349.db2.gz LXGIIMJBAWZCJQ-QGZVFWFLSA-N 1 0 386.518 -0.435 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000420120762 1072256318 /nfs/dbraw/zinc/25/63/18/1072256318.db2.gz KCQBDJSJPULEDD-CYBMUJFWSA-N 1 0 392.456 -0.288 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000420120771 1072256475 /nfs/dbraw/zinc/25/64/75/1072256475.db2.gz KCQBDJSJPULEDD-ZDUSSCGKSA-N 1 0 392.456 -0.288 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420121325 1072256425 /nfs/dbraw/zinc/25/64/25/1072256425.db2.gz PGHPMMFIMOMHTQ-DOTOQJQBSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420121328 1072256356 /nfs/dbraw/zinc/25/63/56/1072256356.db2.gz PGHPMMFIMOMHTQ-NVXWUHKLSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420121331 1072256200 /nfs/dbraw/zinc/25/62/00/1072256200.db2.gz PGHPMMFIMOMHTQ-RDJZCZTQSA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420121332 1072256306 /nfs/dbraw/zinc/25/63/06/1072256306.db2.gz PGHPMMFIMOMHTQ-WBVHZDCISA-N 1 0 393.532 -0.306 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000420122652 1072256496 /nfs/dbraw/zinc/25/64/96/1072256496.db2.gz LONCUVLLSSOAEZ-DOTOQJQBSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000420122654 1072256267 /nfs/dbraw/zinc/25/62/67/1072256267.db2.gz LONCUVLLSSOAEZ-NVXWUHKLSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000420122656 1072256298 /nfs/dbraw/zinc/25/62/98/1072256298.db2.gz LONCUVLLSSOAEZ-RDJZCZTQSA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000420122659 1072256313 /nfs/dbraw/zinc/25/63/13/1072256313.db2.gz LONCUVLLSSOAEZ-WBVHZDCISA-N 1 0 393.532 -0.164 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420124405 1072256223 /nfs/dbraw/zinc/25/62/23/1072256223.db2.gz RWQBIPREOXSKEJ-NXNVCVFFSA-N 1 0 394.495 -0.095 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420124407 1072256346 /nfs/dbraw/zinc/25/63/46/1072256346.db2.gz RWQBIPREOXSKEJ-OHFALNGGSA-N 1 0 394.495 -0.095 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420124409 1072256326 /nfs/dbraw/zinc/25/63/26/1072256326.db2.gz RWQBIPREOXSKEJ-OTRWWLKZSA-N 1 0 394.495 -0.095 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420124412 1072256207 /nfs/dbraw/zinc/25/62/07/1072256207.db2.gz RWQBIPREOXSKEJ-YQFWSFKMSA-N 1 0 394.495 -0.095 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC[NH2+]C1 ZINC000420124505 1072256462 /nfs/dbraw/zinc/25/64/62/1072256462.db2.gz PRGFBGIUNHTOHR-PBHICJAKSA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC[NH2+]C1 ZINC000420124506 1072256216 /nfs/dbraw/zinc/25/62/16/1072256216.db2.gz PRGFBGIUNHTOHR-RHSMWYFYSA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCC[NH2+]C1 ZINC000420124507 1072256145 /nfs/dbraw/zinc/25/61/45/1072256145.db2.gz PRGFBGIUNHTOHR-WMLDXEAASA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCC[NH2+]C1 ZINC000420124508 1072256260 /nfs/dbraw/zinc/25/62/60/1072256260.db2.gz PRGFBGIUNHTOHR-YOEHRIQHSA-N 1 0 386.518 -0.481 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)n1 ZINC000420125462 1072256875 /nfs/dbraw/zinc/25/68/75/1072256875.db2.gz NBNMNUKOSQXSFT-UHFFFAOYSA-N 1 0 376.461 -0.088 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000420125538 1072257211 /nfs/dbraw/zinc/25/72/11/1072257211.db2.gz NOXJVXCWGRRVRV-CABCVRRESA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000420125539 1072256960 /nfs/dbraw/zinc/25/69/60/1072256960.db2.gz NOXJVXCWGRRVRV-GJZGRUSLSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000420125541 1072256889 /nfs/dbraw/zinc/25/68/89/1072256889.db2.gz NOXJVXCWGRRVRV-HUUCEWRRSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000420125543 1072257236 /nfs/dbraw/zinc/25/72/36/1072257236.db2.gz NOXJVXCWGRRVRV-LSDHHAIUSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)CCC[NH2+]C1 ZINC000420125713 1072257227 /nfs/dbraw/zinc/25/72/27/1072257227.db2.gz QPFVIQSYARKFSE-GOSISDBHSA-N 1 0 386.460 -0.721 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)CCC[NH2+]C1 ZINC000420125714 1072256906 /nfs/dbraw/zinc/25/69/06/1072256906.db2.gz QPFVIQSYARKFSE-SFHVURJKSA-N 1 0 386.460 -0.721 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000420126488 530349999 /nfs/dbraw/zinc/34/99/99/530349999.db2.gz OEPRWJRJDFVUTP-MRVPVSSYSA-N 1 0 380.396 -0.070 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000420126491 530350167 /nfs/dbraw/zinc/35/01/67/530350167.db2.gz OEPRWJRJDFVUTP-QMMMGPOBSA-N 1 0 380.396 -0.070 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000420126595 1072257142 /nfs/dbraw/zinc/25/71/42/1072257142.db2.gz QVZRPUFMWABFLN-CVEARBPZSA-N 1 0 397.520 -0.988 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000420126596 1072256929 /nfs/dbraw/zinc/25/69/29/1072256929.db2.gz QVZRPUFMWABFLN-HOTGVXAUSA-N 1 0 397.520 -0.988 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000420126597 1072257026 /nfs/dbraw/zinc/25/70/26/1072257026.db2.gz QVZRPUFMWABFLN-HZPDHXFCSA-N 1 0 397.520 -0.988 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000420126598 1072257164 /nfs/dbraw/zinc/25/71/64/1072257164.db2.gz QVZRPUFMWABFLN-JKSUJKDBSA-N 1 0 397.520 -0.988 20 0 GBADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000420126664 1072256942 /nfs/dbraw/zinc/25/69/42/1072256942.db2.gz NYQQLZSRCQUSFD-CYBMUJFWSA-N 1 0 375.473 -0.269 20 0 GBADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000420126665 1072257083 /nfs/dbraw/zinc/25/70/83/1072257083.db2.gz NYQQLZSRCQUSFD-ZDUSSCGKSA-N 1 0 375.473 -0.269 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420126872 1072256881 /nfs/dbraw/zinc/25/68/81/1072256881.db2.gz OKDCFLMKRJJIII-AWEZNQCLSA-N 1 0 375.473 -0.397 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420126876 1072256976 /nfs/dbraw/zinc/25/69/76/1072256976.db2.gz OKDCFLMKRJJIII-CQSZACIVSA-N 1 0 375.473 -0.397 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420126882 1072257058 /nfs/dbraw/zinc/25/70/58/1072257058.db2.gz OMBPKFDGXGUKBK-BFYDXBDKSA-N 1 0 393.532 -0.165 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420126884 1072256950 /nfs/dbraw/zinc/25/69/50/1072256950.db2.gz OMBPKFDGXGUKBK-HLLBOEOZSA-N 1 0 393.532 -0.165 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420126887 1072257171 /nfs/dbraw/zinc/25/71/71/1072257171.db2.gz OMBPKFDGXGUKBK-INMHGKMJSA-N 1 0 393.532 -0.165 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420126889 1072256980 /nfs/dbraw/zinc/25/69/80/1072256980.db2.gz OMBPKFDGXGUKBK-VYDXJSESSA-N 1 0 393.532 -0.165 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCC[NH2+]C1 ZINC000420127338 1072256913 /nfs/dbraw/zinc/25/69/13/1072256913.db2.gz SNFDGLNFSRGGSO-IBGZPJMESA-N 1 0 388.472 -0.665 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCC[NH2+]C1 ZINC000420127343 1072257072 /nfs/dbraw/zinc/25/70/72/1072257072.db2.gz SNFDGLNFSRGGSO-LJQANCHMSA-N 1 0 388.472 -0.665 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000420128974 1072257197 /nfs/dbraw/zinc/25/71/97/1072257197.db2.gz UPKZQWUDJBFLEC-AWEZNQCLSA-N 1 0 376.461 -0.537 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000420128977 1072257077 /nfs/dbraw/zinc/25/70/77/1072257077.db2.gz UPKZQWUDJBFLEC-CQSZACIVSA-N 1 0 376.461 -0.537 20 0 GBADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC000420129787 1072257123 /nfs/dbraw/zinc/25/71/23/1072257123.db2.gz QCTLFHGWGJSSMP-QWHCGFSZSA-N 1 0 382.486 -0.185 20 0 GBADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC000420129788 1072257191 /nfs/dbraw/zinc/25/71/91/1072257191.db2.gz QCTLFHGWGJSSMP-STQMWFEESA-N 1 0 382.486 -0.185 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420130575 1072257062 /nfs/dbraw/zinc/25/70/62/1072257062.db2.gz QMIOWVYFYHVAJO-CYBMUJFWSA-N 1 0 382.486 -0.184 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420130576 1072257101 /nfs/dbraw/zinc/25/71/01/1072257101.db2.gz QMIOWVYFYHVAJO-ZDUSSCGKSA-N 1 0 382.486 -0.184 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000420130999 1072257871 /nfs/dbraw/zinc/25/78/71/1072257871.db2.gz RPMMXHPLNGLADJ-CYBMUJFWSA-N 1 0 392.456 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[NH3+]C1(CNC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCC1 ZINC000420131705 1072257817 /nfs/dbraw/zinc/25/78/17/1072257817.db2.gz RNDKVPVZRDNMSR-UHFFFAOYSA-N 1 0 391.447 -0.094 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420133763 1072255451 /nfs/dbraw/zinc/25/54/51/1072255451.db2.gz ZNAQYZPXYCDKAS-DZGCQCFKSA-N 1 0 378.477 -0.273 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420133764 1072255439 /nfs/dbraw/zinc/25/54/39/1072255439.db2.gz ZNAQYZPXYCDKAS-ZFWWWQNUSA-N 1 0 378.477 -0.273 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000420133790 1072255527 /nfs/dbraw/zinc/25/55/27/1072255527.db2.gz ZQYJONSXVMAPMC-CVEARBPZSA-N 1 0 381.521 -0.225 20 0 GBADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000420133862 1072255733 /nfs/dbraw/zinc/25/57/33/1072255733.db2.gz STRJHDRVRMAQRU-HNNXBMFYSA-N 1 0 389.500 -0.055 20 0 GBADRO 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C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420134276 1072255606 /nfs/dbraw/zinc/25/56/06/1072255606.db2.gz DBWBCTCGNNGHLH-HLLBOEOZSA-N 1 0 393.532 -0.308 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420134278 1072255470 /nfs/dbraw/zinc/25/54/70/1072255470.db2.gz DBWBCTCGNNGHLH-INMHGKMJSA-N 1 0 393.532 -0.308 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420134280 1072255756 /nfs/dbraw/zinc/25/57/56/1072255756.db2.gz DBWBCTCGNNGHLH-VYDXJSESSA-N 1 0 393.532 -0.308 20 0 GBADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 ZINC000420135149 1072255673 /nfs/dbraw/zinc/25/56/73/1072255673.db2.gz UMQBBGNGDXNBQA-CYBMUJFWSA-N 1 0 384.440 -0.069 20 0 GBADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 ZINC000420135150 1072255500 /nfs/dbraw/zinc/25/55/00/1072255500.db2.gz UMQBBGNGDXNBQA-ZDUSSCGKSA-N 1 0 384.440 -0.069 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)n1 ZINC000420135694 1072255595 /nfs/dbraw/zinc/25/55/95/1072255595.db2.gz HPJLCCNKIQPQFE-UHFFFAOYSA-N 1 0 388.472 -0.050 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420135837 1072255580 /nfs/dbraw/zinc/25/55/80/1072255580.db2.gz UXGQUAQLFLENFH-HNNXBMFYSA-N 1 0 389.500 -0.009 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420135841 1072255655 /nfs/dbraw/zinc/25/56/55/1072255655.db2.gz UXGQUAQLFLENFH-OAHLLOKOSA-N 1 0 389.500 -0.009 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000420136375 1072255617 /nfs/dbraw/zinc/25/56/17/1072255617.db2.gz CXRXARCQCJWWEN-CHWSQXEVSA-N 1 0 380.449 -0.138 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000420136377 1072255632 /nfs/dbraw/zinc/25/56/32/1072255632.db2.gz CXRXARCQCJWWEN-OLZOCXBDSA-N 1 0 380.449 -0.138 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000420136379 1072255642 /nfs/dbraw/zinc/25/56/42/1072255642.db2.gz CXRXARCQCJWWEN-QWHCGFSZSA-N 1 0 380.449 -0.138 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000420136381 1072255569 /nfs/dbraw/zinc/25/55/69/1072255569.db2.gz CXRXARCQCJWWEN-STQMWFEESA-N 1 0 380.449 -0.138 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420137405 1072255705 /nfs/dbraw/zinc/25/57/05/1072255705.db2.gz DSUUXGJICSLQID-CYBMUJFWSA-N 1 0 388.476 -0.354 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420137406 1072255693 /nfs/dbraw/zinc/25/56/93/1072255693.db2.gz DSUUXGJICSLQID-ZDUSSCGKSA-N 1 0 388.476 -0.354 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000420137509 1072255514 /nfs/dbraw/zinc/25/55/14/1072255514.db2.gz LFZOUOWRLOQCQQ-INIZCTEOSA-N 1 0 398.529 -0.125 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 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OBCWSTHZUDVIIP-UHFFFAOYSA-N 1 0 391.516 -0.385 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420139690 1072258512 /nfs/dbraw/zinc/25/85/12/1072258512.db2.gz ORZWEOQVERUPAR-INIZCTEOSA-N 1 0 391.516 -0.433 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420139741 1072258821 /nfs/dbraw/zinc/25/88/21/1072258821.db2.gz ORZWEOQVERUPAR-MRXNPFEDSA-N 1 0 391.516 -0.433 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420140183 1072259016 /nfs/dbraw/zinc/25/90/16/1072259016.db2.gz GYEXSEUBXPMVBK-KBPBESRZSA-N 1 0 388.476 -0.205 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000420140184 1072258963 /nfs/dbraw/zinc/25/89/63/1072258963.db2.gz GYEXSEUBXPMVBK-KGLIPLIRSA-N 1 0 388.476 -0.205 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420140185 1072258673 /nfs/dbraw/zinc/25/86/73/1072258673.db2.gz GYEXSEUBXPMVBK-UONOGXRCSA-N 1 0 388.476 -0.205 20 0 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CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420140979 1072258867 /nfs/dbraw/zinc/25/88/67/1072258867.db2.gz HNRLFAQUMNENCY-INIZCTEOSA-N 1 0 381.521 -0.223 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000420140981 1072259013 /nfs/dbraw/zinc/25/90/13/1072259013.db2.gz HNRLFAQUMNENCY-MRXNPFEDSA-N 1 0 381.521 -0.223 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000420141080 1072258889 /nfs/dbraw/zinc/25/88/89/1072258889.db2.gz JDNRTCQYZIHYIV-CYBMUJFWSA-N 1 0 379.436 -0.368 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000420141082 1072258953 /nfs/dbraw/zinc/25/89/53/1072258953.db2.gz JDNRTCQYZIHYIV-ZDUSSCGKSA-N 1 0 379.436 -0.368 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)C2)nn1 ZINC000420141576 1072258725 /nfs/dbraw/zinc/25/87/25/1072258725.db2.gz HPVSOVBJDOCJMX-JHJVBQTASA-N 1 0 378.433 -0.515 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+][C@@H]3C)C2)nn1 ZINC000420141578 1072258752 /nfs/dbraw/zinc/25/87/52/1072258752.db2.gz HPVSOVBJDOCJMX-UPJWGTAASA-N 1 0 378.433 -0.515 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+][C@H]3C)C2)nn1 ZINC000420141580 1072258948 /nfs/dbraw/zinc/25/89/48/1072258948.db2.gz HPVSOVBJDOCJMX-XQQFMLRXSA-N 1 0 378.433 -0.515 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)C2)nn1 ZINC000420141582 1072258983 /nfs/dbraw/zinc/25/89/83/1072258983.db2.gz HPVSOVBJDOCJMX-YNEHKIRRSA-N 1 0 378.433 -0.515 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCC1 ZINC000420142598 1072258527 /nfs/dbraw/zinc/25/85/27/1072258527.db2.gz ZMBFTQXIZMVMTE-UHFFFAOYSA-N 1 0 379.505 -0.423 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)nn1 ZINC000420142818 1072259505 /nfs/dbraw/zinc/25/95/05/1072259505.db2.gz KSMQRQDNIBEJQD-JHJVBQTASA-N 1 0 378.433 -0.658 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)nn1 ZINC000420142819 1072259488 /nfs/dbraw/zinc/25/94/88/1072259488.db2.gz KSMQRQDNIBEJQD-UPJWGTAASA-N 1 0 378.433 -0.658 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)nn1 ZINC000420142820 1072259590 /nfs/dbraw/zinc/25/95/90/1072259590.db2.gz KSMQRQDNIBEJQD-XQQFMLRXSA-N 1 0 378.433 -0.658 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)nn1 ZINC000420142821 1072259396 /nfs/dbraw/zinc/25/93/96/1072259396.db2.gz KSMQRQDNIBEJQD-YNEHKIRRSA-N 1 0 378.433 -0.658 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420143135 1072259492 /nfs/dbraw/zinc/25/94/92/1072259492.db2.gz KYUBOTBEIXRHQA-AWEZNQCLSA-N 1 0 382.486 -0.448 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420143140 1072259357 /nfs/dbraw/zinc/25/93/57/1072259357.db2.gz KYUBOTBEIXRHQA-CQSZACIVSA-N 1 0 382.486 -0.448 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420143789 1072259543 /nfs/dbraw/zinc/25/95/43/1072259543.db2.gz ZBCCDFOFEDMBDU-UHFFFAOYSA-N 1 0 392.481 -0.445 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420144273 1072259523 /nfs/dbraw/zinc/25/95/23/1072259523.db2.gz LCBYAJKKNGXEJO-AWEZNQCLSA-N 1 0 397.501 -0.452 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420144274 1072259723 /nfs/dbraw/zinc/25/97/23/1072259723.db2.gz LCBYAJKKNGXEJO-CQSZACIVSA-N 1 0 397.501 -0.452 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420144390 1072259645 /nfs/dbraw/zinc/25/96/45/1072259645.db2.gz MZDBVPDZTBGOSD-HZSPNIEDSA-N 1 0 386.460 -0.724 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000420144394 1072259518 /nfs/dbraw/zinc/25/95/18/1072259518.db2.gz MZDBVPDZTBGOSD-MCIONIFRSA-N 1 0 386.460 -0.724 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000420144396 1072259672 /nfs/dbraw/zinc/25/96/72/1072259672.db2.gz MZDBVPDZTBGOSD-MGPQQGTHSA-N 1 0 386.460 -0.724 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420144398 1072259699 /nfs/dbraw/zinc/25/96/99/1072259699.db2.gz MZDBVPDZTBGOSD-RDBSUJKOSA-N 1 0 386.460 -0.724 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000420145194 1072259516 /nfs/dbraw/zinc/25/95/16/1072259516.db2.gz OLCYCYBDGIRHMY-CYBMUJFWSA-N 1 0 392.456 -0.288 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000420145199 1072259501 /nfs/dbraw/zinc/25/95/01/1072259501.db2.gz OLCYCYBDGIRHMY-ZDUSSCGKSA-N 1 0 392.456 -0.288 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000420145772 1072259568 /nfs/dbraw/zinc/25/95/68/1072259568.db2.gz PJVZIEZTQHMMDU-HNNXBMFYSA-N 1 0 376.457 -0.231 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000420145773 1072259582 /nfs/dbraw/zinc/25/95/82/1072259582.db2.gz PJVZIEZTQHMMDU-OAHLLOKOSA-N 1 0 376.457 -0.231 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 ZINC000420145896 1072259465 /nfs/dbraw/zinc/25/94/65/1072259465.db2.gz PIQLQEPIAYXJEY-CABCVRRESA-N 1 0 399.517 -0.165 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 ZINC000420145897 1072259630 /nfs/dbraw/zinc/25/96/30/1072259630.db2.gz PIQLQEPIAYXJEY-GJZGRUSLSA-N 1 0 399.517 -0.165 20 0 GBADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 ZINC000420145898 1072259620 /nfs/dbraw/zinc/25/96/20/1072259620.db2.gz PIQLQEPIAYXJEY-HUUCEWRRSA-N 1 0 399.517 -0.165 20 0 GBADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 ZINC000420145899 1072259609 /nfs/dbraw/zinc/25/96/09/1072259609.db2.gz PIQLQEPIAYXJEY-LSDHHAIUSA-N 1 0 399.517 -0.165 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000420146201 1072259641 /nfs/dbraw/zinc/25/96/41/1072259641.db2.gz QJBORQVAMDGMSW-HNNXBMFYSA-N 1 0 396.513 -0.140 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000420146203 1072259432 /nfs/dbraw/zinc/25/94/32/1072259432.db2.gz QJBORQVAMDGMSW-OAHLLOKOSA-N 1 0 396.513 -0.140 20 0 GBADRO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)no1 ZINC000420146258 1072259687 /nfs/dbraw/zinc/25/96/87/1072259687.db2.gz QLSMJTITLYEVTP-CYUUQNCZSA-N 1 0 396.467 -0.137 20 0 GBADRO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)no1 ZINC000420146260 1072259508 /nfs/dbraw/zinc/25/95/08/1072259508.db2.gz QLSMJTITLYEVTP-MXAVVETBSA-N 1 0 396.467 -0.137 20 0 GBADRO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)no1 ZINC000420146263 1072259486 /nfs/dbraw/zinc/25/94/86/1072259486.db2.gz QLSMJTITLYEVTP-UNQGMJICSA-N 1 0 396.467 -0.137 20 0 GBADRO Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)no1 ZINC000420146265 1072259479 /nfs/dbraw/zinc/25/94/79/1072259479.db2.gz QLSMJTITLYEVTP-UQOMUDLDSA-N 1 0 396.467 -0.137 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000420146423 1072259405 /nfs/dbraw/zinc/25/94/05/1072259405.db2.gz QUBRHEZIDMZXKF-AWEZNQCLSA-N 1 0 391.472 -0.498 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000420146424 1072259416 /nfs/dbraw/zinc/25/94/16/1072259416.db2.gz QUBRHEZIDMZXKF-CQSZACIVSA-N 1 0 391.472 -0.498 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148982 1072260477 /nfs/dbraw/zinc/26/04/77/1072260477.db2.gz UUOYUWNYUZQLGK-CVEARBPZSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148983 1072260565 /nfs/dbraw/zinc/26/05/65/1072260565.db2.gz UUOYUWNYUZQLGK-HOTGVXAUSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420148984 1072260131 /nfs/dbraw/zinc/26/01/31/1072260131.db2.gz UUOYUWNYUZQLGK-HZPDHXFCSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420148985 1072260410 /nfs/dbraw/zinc/26/04/10/1072260410.db2.gz UUOYUWNYUZQLGK-JKSUJKDBSA-N 1 0 381.521 -0.497 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420149066 1072259368 /nfs/dbraw/zinc/25/93/68/1072259368.db2.gz UYYDQJXOOMOOOK-DZGCQCFKSA-N 1 0 395.485 -0.971 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420149067 1072259389 /nfs/dbraw/zinc/25/93/89/1072259389.db2.gz UYYDQJXOOMOOOK-HIFRSBDPSA-N 1 0 395.485 -0.971 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420149068 1072259511 /nfs/dbraw/zinc/25/95/11/1072259511.db2.gz UYYDQJXOOMOOOK-UKRRQHHQSA-N 1 0 395.485 -0.971 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000420149070 1072260079 /nfs/dbraw/zinc/26/00/79/1072260079.db2.gz UYYDQJXOOMOOOK-ZFWWWQNUSA-N 1 0 395.485 -0.971 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC(F)(F)CN)CC2)CC1 ZINC000420150112 1072260443 /nfs/dbraw/zinc/26/04/43/1072260443.db2.gz JWUSEWLHDNFFJB-UHFFFAOYSA-N 1 0 375.464 -0.286 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000420150140 1072260723 /nfs/dbraw/zinc/26/07/23/1072260723.db2.gz WIDMHNZFHCFHIZ-CYBMUJFWSA-N 1 0 392.456 -0.288 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000420150141 1072260580 /nfs/dbraw/zinc/26/05/80/1072260580.db2.gz WIDMHNZFHCFHIZ-ZDUSSCGKSA-N 1 0 392.456 -0.288 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000420150440 1072260317 /nfs/dbraw/zinc/26/03/17/1072260317.db2.gz WTSJOXAJQNLXKD-CHWSQXEVSA-N 1 0 388.424 -0.766 20 0 GBADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000420150441 1072260738 /nfs/dbraw/zinc/26/07/38/1072260738.db2.gz WTSJOXAJQNLXKD-OLZOCXBDSA-N 1 0 388.424 -0.766 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000420150442 1072260530 /nfs/dbraw/zinc/26/05/30/1072260530.db2.gz WTSJOXAJQNLXKD-QWHCGFSZSA-N 1 0 388.424 -0.766 20 0 GBADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000420150443 1072260298 /nfs/dbraw/zinc/26/02/98/1072260298.db2.gz WTSJOXAJQNLXKD-STQMWFEESA-N 1 0 388.424 -0.766 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420150761 1072260704 /nfs/dbraw/zinc/26/07/04/1072260704.db2.gz XKWFBAPDJUZVMP-GXTWGEPZSA-N 1 0 386.460 -0.874 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420150764 1072260696 /nfs/dbraw/zinc/26/06/96/1072260696.db2.gz XKWFBAPDJUZVMP-JSGCOSHPSA-N 1 0 386.460 -0.874 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420150765 1072260221 /nfs/dbraw/zinc/26/02/21/1072260221.db2.gz XKWFBAPDJUZVMP-OCCSQVGLSA-N 1 0 386.460 -0.874 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000420150766 1072260647 /nfs/dbraw/zinc/26/06/47/1072260647.db2.gz XKWFBAPDJUZVMP-TZMCWYRMSA-N 1 0 386.460 -0.874 20 0 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391.516 -0.433 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170707 1072264983 /nfs/dbraw/zinc/26/49/83/1072264983.db2.gz XXPMYMJKAJIIGP-MRXNPFEDSA-N 1 0 391.516 -0.433 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420171287 1072264938 /nfs/dbraw/zinc/26/49/38/1072264938.db2.gz SUTPYFFKOHWFLE-INIZCTEOSA-N 1 0 395.548 -0.107 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420171289 1072264831 /nfs/dbraw/zinc/26/48/31/1072264831.db2.gz SUTPYFFKOHWFLE-MRXNPFEDSA-N 1 0 395.548 -0.107 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000420171426 1072264919 /nfs/dbraw/zinc/26/49/19/1072264919.db2.gz NPWUDSZABYTKOO-BRWVUGGUSA-N 1 0 395.548 -0.251 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000420171429 1072265064 /nfs/dbraw/zinc/26/50/64/1072265064.db2.gz NPWUDSZABYTKOO-IXDOHACOSA-N 1 0 395.548 -0.251 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000420171441 1072264789 /nfs/dbraw/zinc/26/47/89/1072264789.db2.gz NPWUDSZABYTKOO-YESZJQIVSA-N 1 0 395.548 -0.251 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420171956 1072265496 /nfs/dbraw/zinc/26/54/96/1072265496.db2.gz UWPWFIRXMWHPJD-AWEZNQCLSA-N 1 0 382.505 -0.023 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420171957 1072266066 /nfs/dbraw/zinc/26/60/66/1072266066.db2.gz UWPWFIRXMWHPJD-CQSZACIVSA-N 1 0 382.505 -0.023 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000420172154 1072264895 /nfs/dbraw/zinc/26/48/95/1072264895.db2.gz OSJPGPUIKNTRDY-OAHLLOKOSA-N 1 0 396.513 -0.058 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000420172169 1072264724 /nfs/dbraw/zinc/26/47/24/1072264724.db2.gz OVVJPOKGVCLWFI-CQSZACIVSA-N 1 0 384.502 -0.154 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000420172501 1072264711 /nfs/dbraw/zinc/26/47/11/1072264711.db2.gz PUPYOMXVAUTDBW-OAHLLOKOSA-N 1 0 381.521 -0.306 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172527 1072264696 /nfs/dbraw/zinc/26/46/96/1072264696.db2.gz PXLWIWUMCLMOOY-INIZCTEOSA-N 1 0 384.521 -0.314 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172532 1072264984 /nfs/dbraw/zinc/26/49/84/1072264984.db2.gz PXLWIWUMCLMOOY-MRXNPFEDSA-N 1 0 384.521 -0.314 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420172800 1072266039 /nfs/dbraw/zinc/26/60/39/1072266039.db2.gz WAHDUVDOPMXXCB-CVEARBPZSA-N 1 0 394.516 -0.022 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420172801 1072265642 /nfs/dbraw/zinc/26/56/42/1072265642.db2.gz WAHDUVDOPMXXCB-HOTGVXAUSA-N 1 0 394.516 -0.022 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420172803 1072265571 /nfs/dbraw/zinc/26/55/71/1072265571.db2.gz WAHDUVDOPMXXCB-HZPDHXFCSA-N 1 0 394.516 -0.022 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420172805 1072265677 /nfs/dbraw/zinc/26/56/77/1072265677.db2.gz WAHDUVDOPMXXCB-JKSUJKDBSA-N 1 0 394.516 -0.022 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172833 1072266022 /nfs/dbraw/zinc/26/60/22/1072266022.db2.gz WDOXZIYXCFHDSV-CABCVRRESA-N 1 0 382.505 -0.023 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172835 1072265757 /nfs/dbraw/zinc/26/57/57/1072265757.db2.gz WDOXZIYXCFHDSV-GJZGRUSLSA-N 1 0 382.505 -0.023 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000420172837 1072265504 /nfs/dbraw/zinc/26/55/04/1072265504.db2.gz WDOXZIYXCFHDSV-HUUCEWRRSA-N 1 0 382.505 -0.023 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000420172838 1072265890 /nfs/dbraw/zinc/26/58/90/1072265890.db2.gz WDOXZIYXCFHDSV-LSDHHAIUSA-N 1 0 382.505 -0.023 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420173167 1072265991 /nfs/dbraw/zinc/26/59/91/1072265991.db2.gz WVXIHWHGSRKEHY-CVEARBPZSA-N 1 0 395.548 -0.060 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420173168 1072265800 /nfs/dbraw/zinc/26/58/00/1072265800.db2.gz WVXIHWHGSRKEHY-HOTGVXAUSA-N 1 0 395.548 -0.060 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420173169 1072265965 /nfs/dbraw/zinc/26/59/65/1072265965.db2.gz WVXIHWHGSRKEHY-HZPDHXFCSA-N 1 0 395.548 -0.060 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420173170 1072266056 /nfs/dbraw/zinc/26/60/56/1072266056.db2.gz WVXIHWHGSRKEHY-JKSUJKDBSA-N 1 0 395.548 -0.060 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420173291 1072266097 /nfs/dbraw/zinc/26/60/97/1072266097.db2.gz WYSDSLAZBNBSBN-HNNXBMFYSA-N 1 0 379.505 -0.696 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000420173292 1072265484 /nfs/dbraw/zinc/26/54/84/1072265484.db2.gz WYSDSLAZBNBSBN-OAHLLOKOSA-N 1 0 379.505 -0.696 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000420173419 1072265941 /nfs/dbraw/zinc/26/59/41/1072265941.db2.gz RCBACOPFCITUMM-MRXNPFEDSA-N 1 0 381.521 -0.353 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2=O)cn1 ZINC000420173666 1072265532 /nfs/dbraw/zinc/26/55/32/1072265532.db2.gz XONHDVFREBGXNX-AWEZNQCLSA-N 1 0 376.461 -0.510 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2=O)cn1 ZINC000420173672 1072265978 /nfs/dbraw/zinc/26/59/78/1072265978.db2.gz XONHDVFREBGXNX-CQSZACIVSA-N 1 0 376.461 -0.510 20 0 GBADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420174594 1072265955 /nfs/dbraw/zinc/26/59/55/1072265955.db2.gz XASAVKDOCVLRPD-GUTXKFCHSA-N 1 0 376.461 -0.650 20 0 GBADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000420174597 1072265716 /nfs/dbraw/zinc/26/57/16/1072265716.db2.gz XASAVKDOCVLRPD-GZBFAFLISA-N 1 0 376.461 -0.650 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCN1C(=O)c1cnn(C)c1 ZINC000420174599 1072265551 /nfs/dbraw/zinc/26/55/51/1072265551.db2.gz XASAVKDOCVLRPD-KCQAQPDRSA-N 1 0 376.461 -0.650 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCN1C(=O)c1cnn(C)c1 ZINC000420174602 1072265662 /nfs/dbraw/zinc/26/56/62/1072265662.db2.gz XASAVKDOCVLRPD-YDHLFZDLSA-N 1 0 376.461 -0.650 20 0 GBADRO CCc1nsc(N2CCCN(C(=O)C(=O)NCC[NH2+]CCOC)CC2)n1 ZINC000420174605 1072265995 /nfs/dbraw/zinc/26/59/95/1072265995.db2.gz XCTMPSHVECRSEW-UHFFFAOYSA-N 1 0 384.506 -0.509 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000420174908 1072265827 /nfs/dbraw/zinc/26/58/27/1072265827.db2.gz UGRGBAHNTXWEIQ-CQSZACIVSA-N 1 0 399.499 -0.030 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000420174943 1072265729 /nfs/dbraw/zinc/26/57/29/1072265729.db2.gz UNMIUUNRVJMAMY-KBPBESRZSA-N 1 0 388.534 -0.331 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000420174944 1072265951 /nfs/dbraw/zinc/26/59/51/1072265951.db2.gz UNMIUUNRVJMAMY-KGLIPLIRSA-N 1 0 388.534 -0.331 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000420174945 1072266081 /nfs/dbraw/zinc/26/60/81/1072266081.db2.gz UNMIUUNRVJMAMY-UONOGXRCSA-N 1 0 388.534 -0.331 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000420174946 1072265906 /nfs/dbraw/zinc/26/59/06/1072265906.db2.gz UNMIUUNRVJMAMY-ZIAGYGMSSA-N 1 0 388.534 -0.331 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C[C@H]2CO)cn1 ZINC000420175064 1072261136 /nfs/dbraw/zinc/26/11/36/1072261136.db2.gz ZQVZIRGXXYNMHX-HRCADAONSA-N 1 0 377.489 -0.151 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C[C@H]2CO)cn1 ZINC000420175068 1072261699 /nfs/dbraw/zinc/26/16/99/1072261699.db2.gz ZQVZIRGXXYNMHX-JYJNAYRXSA-N 1 0 377.489 -0.151 20 0 GBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)CN ZINC000420176071 1072261324 /nfs/dbraw/zinc/26/13/24/1072261324.db2.gz PMRRVKSPADAWSH-KRWDZBQOSA-N 1 0 384.427 -0.208 20 0 GBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)CN ZINC000420176073 1072261665 /nfs/dbraw/zinc/26/16/65/1072261665.db2.gz PMRRVKSPADAWSH-QGZVFWFLSA-N 1 0 384.427 -0.208 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000420176972 1072261381 /nfs/dbraw/zinc/26/13/81/1072261381.db2.gz AWBIJLRLGXGQOP-UHFFFAOYSA-N 1 0 382.505 -0.020 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000420177016 1072261104 /nfs/dbraw/zinc/26/11/04/1072261104.db2.gz YDSUVSILHHTPNC-OAHLLOKOSA-N 1 0 396.513 -0.225 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420177144 1072261115 /nfs/dbraw/zinc/26/11/15/1072261115.db2.gz RPWAGLXCKMTEMI-AWEZNQCLSA-N 1 0 395.504 -0.924 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420177145 1072261127 /nfs/dbraw/zinc/26/11/27/1072261127.db2.gz RPWAGLXCKMTEMI-CQSZACIVSA-N 1 0 395.504 -0.924 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420177340 1072261253 /nfs/dbraw/zinc/26/12/53/1072261253.db2.gz BYPKDCGVLIGJJQ-UHFFFAOYSA-N 1 0 396.875 -0.137 20 0 GBADRO CN(C(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1)c1ccccc1 ZINC000420178563 1072261155 /nfs/dbraw/zinc/26/11/55/1072261155.db2.gz ATYDEZFLALXSGQ-DOTOQJQBSA-N 1 0 388.468 -0.007 20 0 GBADRO CN(C(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1)c1ccccc1 ZINC000420178565 1072261433 /nfs/dbraw/zinc/26/14/33/1072261433.db2.gz ATYDEZFLALXSGQ-NVXWUHKLSA-N 1 0 388.468 -0.007 20 0 GBADRO CN(C(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1)c1ccccc1 ZINC000420178566 1072261228 /nfs/dbraw/zinc/26/12/28/1072261228.db2.gz ATYDEZFLALXSGQ-RDJZCZTQSA-N 1 0 388.468 -0.007 20 0 GBADRO CN(C(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1)c1ccccc1 ZINC000420178568 1072261169 /nfs/dbraw/zinc/26/11/69/1072261169.db2.gz ATYDEZFLALXSGQ-WBVHZDCISA-N 1 0 388.468 -0.007 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CCN2C1=O ZINC000420178843 1072262495 /nfs/dbraw/zinc/26/24/95/1072262495.db2.gz BAEPJLYXFNVXBJ-CABCVRRESA-N 1 0 381.477 -0.915 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CCN2C1=O ZINC000420178844 1072262296 /nfs/dbraw/zinc/26/22/96/1072262296.db2.gz BAEPJLYXFNVXBJ-GJZGRUSLSA-N 1 0 381.477 -0.915 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CCN2C1=O ZINC000420178845 1072262459 /nfs/dbraw/zinc/26/24/59/1072262459.db2.gz BAEPJLYXFNVXBJ-HUUCEWRRSA-N 1 0 381.477 -0.915 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CCN2C1=O ZINC000420178846 1072262301 /nfs/dbraw/zinc/26/23/01/1072262301.db2.gz BAEPJLYXFNVXBJ-LSDHHAIUSA-N 1 0 381.477 -0.915 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420178894 1072262470 /nfs/dbraw/zinc/26/24/70/1072262470.db2.gz BFXFAIIDPCEFTB-HNNXBMFYSA-N 1 0 391.472 -0.376 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420178896 1072262400 /nfs/dbraw/zinc/26/24/00/1072262400.db2.gz BFXFAIIDPCEFTB-OAHLLOKOSA-N 1 0 391.472 -0.376 20 0 GBADRO CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420178897 1072262341 /nfs/dbraw/zinc/26/23/41/1072262341.db2.gz BGNPLBWHXSSYSW-BBRMVZONSA-N 1 0 392.431 -0.116 20 0 GBADRO CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000420178898 1072262239 /nfs/dbraw/zinc/26/22/39/1072262239.db2.gz BGNPLBWHXSSYSW-CJNGLKHVSA-N 1 0 392.431 -0.116 20 0 GBADRO CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420178900 1072262378 /nfs/dbraw/zinc/26/23/78/1072262378.db2.gz BGNPLBWHXSSYSW-CZUORRHYSA-N 1 0 392.431 -0.116 20 0 GBADRO CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420178902 1072262487 /nfs/dbraw/zinc/26/24/87/1072262487.db2.gz BGNPLBWHXSSYSW-XJKSGUPXSA-N 1 0 392.431 -0.116 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CCC2)CC1 ZINC000420179033 1072262220 /nfs/dbraw/zinc/26/22/20/1072262220.db2.gz ALADSUJTFMIKCV-AWEZNQCLSA-N 1 0 391.438 -0.365 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CCC2)CC1 ZINC000420179037 1072262476 /nfs/dbraw/zinc/26/24/76/1072262476.db2.gz ALADSUJTFMIKCV-CQSZACIVSA-N 1 0 391.438 -0.365 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420179108 1072262160 /nfs/dbraw/zinc/26/21/60/1072262160.db2.gz FMXLMSNMXDMUQN-UHFFFAOYSA-N 1 0 398.410 -0.399 20 0 GBADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000420179377 1072261625 /nfs/dbraw/zinc/26/16/25/1072261625.db2.gz BNRXXQFAGULTDP-INIZCTEOSA-N 1 0 375.425 -0.147 20 0 GBADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000420179381 1072261582 /nfs/dbraw/zinc/26/15/82/1072261582.db2.gz BNRXXQFAGULTDP-MRXNPFEDSA-N 1 0 375.425 -0.147 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000420179455 1072261514 /nfs/dbraw/zinc/26/15/14/1072261514.db2.gz BSNDDJPPCLMWKC-DOTOQJQBSA-N 1 0 393.532 -0.177 20 0 GBADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000420179457 1072262382 /nfs/dbraw/zinc/26/23/82/1072262382.db2.gz BSNDDJPPCLMWKC-NVXWUHKLSA-N 1 0 393.532 -0.177 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000420179459 1072262465 /nfs/dbraw/zinc/26/24/65/1072262465.db2.gz BSNDDJPPCLMWKC-RDJZCZTQSA-N 1 0 393.532 -0.177 20 0 GBADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000420179461 1072262337 /nfs/dbraw/zinc/26/23/37/1072262337.db2.gz BSNDDJPPCLMWKC-WBVHZDCISA-N 1 0 393.532 -0.177 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(CC2CC2)CC1 ZINC000420179554 1072261553 /nfs/dbraw/zinc/26/15/53/1072261553.db2.gz ARUPUDSOAKEDOQ-AWEZNQCLSA-N 1 0 391.438 -0.507 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(CC2CC2)CC1 ZINC000420179556 1072261393 /nfs/dbraw/zinc/26/13/93/1072261393.db2.gz ARUPUDSOAKEDOQ-CQSZACIVSA-N 1 0 391.438 -0.507 20 0 GBADRO COCCCOC1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420179601 1072261179 /nfs/dbraw/zinc/26/11/79/1072261179.db2.gz AWPWAKBLGQYZKS-CYBMUJFWSA-N 1 0 396.410 -0.797 20 0 GBADRO COCCCOC1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420179602 1072261088 /nfs/dbraw/zinc/26/10/88/1072261088.db2.gz AWPWAKBLGQYZKS-ZDUSSCGKSA-N 1 0 396.410 -0.797 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC2)n1 ZINC000420179748 1072262121 /nfs/dbraw/zinc/26/21/21/1072262121.db2.gz FYEFFBYSWLPVRV-UHFFFAOYSA-N 1 0 379.461 -0.519 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420179822 1072262268 /nfs/dbraw/zinc/26/22/68/1072262268.db2.gz GONIKMFAWRXVAF-UHFFFAOYSA-N 1 0 392.504 -0.091 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC2)cs1 ZINC000420180434 1072262309 /nfs/dbraw/zinc/26/23/09/1072262309.db2.gz GRPYMMDUWSXSJO-UHFFFAOYSA-N 1 0 383.518 -0.298 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000420180749 1072262955 /nfs/dbraw/zinc/26/29/55/1072262955.db2.gz HFRRPYJDJJWAMR-UHFFFAOYSA-N 1 0 391.472 -0.879 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000420180853 1072263173 /nfs/dbraw/zinc/26/31/73/1072263173.db2.gz HPSIVRSRRQAJJY-HNNXBMFYSA-N 1 0 391.472 -0.081 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000420180861 1072263040 /nfs/dbraw/zinc/26/30/40/1072263040.db2.gz HPSIVRSRRQAJJY-OAHLLOKOSA-N 1 0 391.472 -0.081 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000420180923 1072263094 /nfs/dbraw/zinc/26/30/94/1072263094.db2.gz CTRKCUYEFQTGJZ-AWEZNQCLSA-N 1 0 376.461 -0.570 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 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HTBDVBITAMDUSG-INIZCTEOSA-N 1 0 376.457 -0.007 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420181349 1072262331 /nfs/dbraw/zinc/26/23/31/1072262331.db2.gz HTBDVBITAMDUSG-MRXNPFEDSA-N 1 0 376.457 -0.007 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000420181431 1072262455 /nfs/dbraw/zinc/26/24/55/1072262455.db2.gz IDTZPKLSVBMBIY-UHFFFAOYSA-N 1 0 396.875 -0.023 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000420181470 1072262445 /nfs/dbraw/zinc/26/24/45/1072262445.db2.gz IKZISDSCBMCSIV-UHFFFAOYSA-N 1 0 398.485 -0.853 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420181616 1072262436 /nfs/dbraw/zinc/26/24/36/1072262436.db2.gz DPCUGEJIFOVRJI-HNNXBMFYSA-N 1 0 394.447 -0.022 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420181617 1072262427 /nfs/dbraw/zinc/26/24/27/1072262427.db2.gz DPCUGEJIFOVRJI-OAHLLOKOSA-N 1 0 394.447 -0.022 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000420181791 1072263402 /nfs/dbraw/zinc/26/34/02/1072263402.db2.gz IOLUKJLVVNSUME-UHFFFAOYSA-N 1 0 390.484 -0.439 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420181817 1072263158 /nfs/dbraw/zinc/26/31/58/1072263158.db2.gz IUZGVQWACSDEGI-UHFFFAOYSA-N 1 0 396.875 -0.137 20 0 GBADRO CCc1cnc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)s1 ZINC000420182033 1072263395 /nfs/dbraw/zinc/26/33/95/1072263395.db2.gz FALCNEICEQSYCO-CYBMUJFWSA-N 1 0 381.502 -0.151 20 0 GBADRO CCc1cnc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)s1 ZINC000420182034 1072263416 /nfs/dbraw/zinc/26/34/16/1072263416.db2.gz FALCNEICEQSYCO-ZDUSSCGKSA-N 1 0 381.502 -0.151 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000420182310 1072262867 /nfs/dbraw/zinc/26/28/67/1072262867.db2.gz JHBGOSGIEZXJIH-UHFFFAOYSA-N 1 0 396.463 -0.169 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000420182344 1072263196 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377.441 -0.213 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420182964 1072263340 /nfs/dbraw/zinc/26/33/40/1072263340.db2.gz GDTNBAJXZXJZSA-KRWDZBQOSA-N 1 0 390.484 -0.166 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420182965 1072264188 /nfs/dbraw/zinc/26/41/88/1072264188.db2.gz GDTNBAJXZXJZSA-QGZVFWFLSA-N 1 0 390.484 -0.166 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420183112 1072263447 /nfs/dbraw/zinc/26/34/47/1072263447.db2.gz LHKMSLSQSAVYRM-UHFFFAOYSA-N 1 0 398.410 -0.399 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(OC)ccc2F)CC1 ZINC000420183157 1072263369 /nfs/dbraw/zinc/26/33/69/1072263369.db2.gz LKRVFIZSELCLDH-UHFFFAOYSA-N 1 0 382.436 -0.165 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000420183377 1072263181 /nfs/dbraw/zinc/26/31/81/1072263181.db2.gz LPUYXEQXEXXQKR-UHFFFAOYSA-N 1 0 379.457 -0.017 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000420183388 1072263279 /nfs/dbraw/zinc/26/32/79/1072263279.db2.gz LRVYQWABOLRTIB-UHFFFAOYSA-N 1 0 397.520 -0.039 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420183433 1072263460 /nfs/dbraw/zinc/26/34/60/1072263460.db2.gz LXAJKOVSGKKHLZ-UHFFFAOYSA-N 1 0 396.875 -0.023 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000420183447 1072263220 /nfs/dbraw/zinc/26/32/20/1072263220.db2.gz MCGPCMLDMYKDBY-UHFFFAOYSA-N 1 0 376.457 -0.748 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000420183938 1072264175 /nfs/dbraw/zinc/26/41/75/1072264175.db2.gz MTQQJBDHFYTPGI-UHFFFAOYSA-N 1 0 382.436 -0.165 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000420183997 1072264224 /nfs/dbraw/zinc/26/42/24/1072264224.db2.gz NAHZAANFRLGIEL-UHFFFAOYSA-N 1 0 392.456 -0.668 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000420184001 1072264204 /nfs/dbraw/zinc/26/42/04/1072264204.db2.gz NBPVCJNAJFWXLS-UHFFFAOYSA-N 1 0 382.505 -0.020 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420184188 1072264164 /nfs/dbraw/zinc/26/41/64/1072264164.db2.gz IAUHAKNJJYVWNV-INIZCTEOSA-N 1 0 384.440 -0.177 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420184190 1072263851 /nfs/dbraw/zinc/26/38/51/1072263851.db2.gz IAUHAKNJJYVWNV-MRXNPFEDSA-N 1 0 384.440 -0.177 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000420184488 1072264271 /nfs/dbraw/zinc/26/42/71/1072264271.db2.gz NTRLZVIBZQGDAU-UHFFFAOYSA-N 1 0 394.447 -0.148 20 0 GBADRO CCc1ccc(C(=O)N2CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC2)cc1 ZINC000420184973 1072264217 /nfs/dbraw/zinc/26/42/17/1072264217.db2.gz OSYZHQZXMMOPBG-UHFFFAOYSA-N 1 0 390.484 -0.114 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420185085 1072264151 /nfs/dbraw/zinc/26/41/51/1072264151.db2.gz JIRPRPVMNILKHT-INIZCTEOSA-N 1 0 392.431 -0.509 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420185087 1072264019 /nfs/dbraw/zinc/26/40/19/1072264019.db2.gz JIRPRPVMNILKHT-MRXNPFEDSA-N 1 0 392.431 -0.509 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420185335 1072264129 /nfs/dbraw/zinc/26/41/29/1072264129.db2.gz PGPWYUSZYPVVDK-UHFFFAOYSA-N 1 0 398.410 -0.399 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185557 1072264229 /nfs/dbraw/zinc/26/42/29/1072264229.db2.gz JTYDDDGHSBSPLB-INIZCTEOSA-N 1 0 392.431 -0.395 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185561 1072264051 /nfs/dbraw/zinc/26/40/51/1072264051.db2.gz JTYDDDGHSBSPLB-MRXNPFEDSA-N 1 0 392.431 -0.395 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185786 1072264847 /nfs/dbraw/zinc/26/48/47/1072264847.db2.gz ADBYGUDQDDRRKD-HNNXBMFYSA-N 1 0 378.404 -0.785 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420185787 1072264942 /nfs/dbraw/zinc/26/49/42/1072264942.db2.gz ADBYGUDQDDRRKD-OAHLLOKOSA-N 1 0 378.404 -0.785 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000420186123 1072264157 /nfs/dbraw/zinc/26/41/57/1072264157.db2.gz PXOIVOYOYHEVPP-UHFFFAOYSA-N 1 0 398.485 -0.465 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000420186135 1072264139 /nfs/dbraw/zinc/26/41/39/1072264139.db2.gz PZIFERVDLQXVBD-UHFFFAOYSA-N 1 0 380.420 -0.538 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000420186136 1072264235 /nfs/dbraw/zinc/26/42/35/1072264235.db2.gz PZZFVERSLGHYBS-HOTGVXAUSA-N 1 0 377.441 -0.246 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420186290 1072264034 /nfs/dbraw/zinc/26/40/34/1072264034.db2.gz AMGFQDKMUHVSNP-HNNXBMFYSA-N 1 0 394.859 -0.271 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420186291 1072263916 /nfs/dbraw/zinc/26/39/16/1072263916.db2.gz AMGFQDKMUHVSNP-OAHLLOKOSA-N 1 0 394.859 -0.271 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000420186318 1072264064 /nfs/dbraw/zinc/26/40/64/1072264064.db2.gz APDZLPXQJPYJAL-KRWDZBQOSA-N 1 0 375.469 -0.065 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000420186319 1072263798 /nfs/dbraw/zinc/26/37/98/1072263798.db2.gz APDZLPXQJPYJAL-QGZVFWFLSA-N 1 0 375.469 -0.065 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000420186685 1072263961 /nfs/dbraw/zinc/26/39/61/1072263961.db2.gz AUVKBYXKRQTZEH-AWEZNQCLSA-N 1 0 392.460 -0.981 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000420186686 1072263872 /nfs/dbraw/zinc/26/38/72/1072263872.db2.gz AUVKBYXKRQTZEH-CQSZACIVSA-N 1 0 392.460 -0.981 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000420186829 1072269558 /nfs/dbraw/zinc/26/95/58/1072269558.db2.gz QROGXZLKKCHPGH-UHFFFAOYSA-N 1 0 378.473 -0.308 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cs1 ZINC000420186938 1072269793 /nfs/dbraw/zinc/26/97/93/1072269793.db2.gz LJOJHMYXRLDJHS-HNNXBMFYSA-N 1 0 395.529 -0.156 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cs1 ZINC000420186941 1072269963 /nfs/dbraw/zinc/26/99/63/1072269963.db2.gz LJOJHMYXRLDJHS-OAHLLOKOSA-N 1 0 395.529 -0.156 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000420187068 1072268842 /nfs/dbraw/zinc/26/88/42/1072268842.db2.gz LQMXNVQOBRPDPP-NCOADZHNSA-N 1 0 382.505 -0.419 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187071 1072269263 /nfs/dbraw/zinc/26/92/63/1072269263.db2.gz LQMXNVQOBRPDPP-VVLHAWIVSA-N 1 0 382.505 -0.419 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000420187074 1072269109 /nfs/dbraw/zinc/26/91/09/1072269109.db2.gz LQMXNVQOBRPDPP-WCXIOVBPSA-N 1 0 382.505 -0.419 20 0 GBADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187077 1072270013 /nfs/dbraw/zinc/27/00/13/1072270013.db2.gz LQMXNVQOBRPDPP-YVSFHVDLSA-N 1 0 382.505 -0.419 20 0 GBADRO COc1cc(CC2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000420187190 1072269185 /nfs/dbraw/zinc/26/91/85/1072269185.db2.gz BHBFSMMQJVMUIN-KRWDZBQOSA-N 1 0 377.441 -0.191 20 0 GBADRO COc1cc(CC2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000420187191 1072269286 /nfs/dbraw/zinc/26/92/86/1072269286.db2.gz BHBFSMMQJVMUIN-QGZVFWFLSA-N 1 0 377.441 -0.191 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)ncn1 ZINC000420187209 1072269200 /nfs/dbraw/zinc/26/92/00/1072269200.db2.gz BINBEIUGZFEZRR-AWEZNQCLSA-N 1 0 392.460 -0.617 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)ncn1 ZINC000420187210 1072268663 /nfs/dbraw/zinc/26/86/63/1072268663.db2.gz BINBEIUGZFEZRR-CQSZACIVSA-N 1 0 392.460 -0.617 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420187721 1072269914 /nfs/dbraw/zinc/26/99/14/1072269914.db2.gz BQYOPOPCHKEEGM-CYBMUJFWSA-N 1 0 396.410 -0.796 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420187722 1072269889 /nfs/dbraw/zinc/26/98/89/1072269889.db2.gz BQYOPOPCHKEEGM-ZDUSSCGKSA-N 1 0 396.410 -0.796 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)ccc1F ZINC000420187997 1072269814 /nfs/dbraw/zinc/26/98/14/1072269814.db2.gz MMXDGQZFWZFKSM-HNNXBMFYSA-N 1 0 394.447 -0.022 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)ccc1F ZINC000420188000 1072270150 /nfs/dbraw/zinc/27/01/50/1072270150.db2.gz MMXDGQZFWZFKSM-OAHLLOKOSA-N 1 0 394.447 -0.022 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000420188047 1072270182 /nfs/dbraw/zinc/27/01/82/1072270182.db2.gz CDDCHOFPJOHJCX-HNNXBMFYSA-N 1 0 394.859 -0.271 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000420188050 1072270324 /nfs/dbraw/zinc/27/03/24/1072270324.db2.gz CDDCHOFPJOHJCX-OAHLLOKOSA-N 1 0 394.859 -0.271 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000420188209 1072269736 /nfs/dbraw/zinc/26/97/36/1072269736.db2.gz SFKRKFSZGNEAKG-UHFFFAOYSA-N 1 0 394.447 -0.148 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000420188909 1072269755 /nfs/dbraw/zinc/26/97/55/1072269755.db2.gz TYEATVJOSNCNPK-MSOLQXFVSA-N 1 0 390.484 -0.550 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000420188974 1072270169 /nfs/dbraw/zinc/27/01/69/1072270169.db2.gz UNBAILNQSTZFIQ-UHFFFAOYSA-N 1 0 394.447 -0.229 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000420189315 1072270229 /nfs/dbraw/zinc/27/02/29/1072270229.db2.gz DJTDNKFHGXQGFI-HNNXBMFYSA-N 1 0 392.431 -0.477 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1F ZINC000420189316 1072270130 /nfs/dbraw/zinc/27/01/30/1072270130.db2.gz DJTDNKFHGXQGFI-OAHLLOKOSA-N 1 0 392.431 -0.477 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)s1 ZINC000420189319 1072270045 /nfs/dbraw/zinc/27/00/45/1072270045.db2.gz DKYJKSLUTMQTGU-GFCCVEGCSA-N 1 0 396.469 -0.712 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)s1 ZINC000420189320 1072270111 /nfs/dbraw/zinc/27/01/11/1072270111.db2.gz DKYJKSLUTMQTGU-LBPRGKRZSA-N 1 0 396.469 -0.712 20 0 GBADRO CCN(C(=O)C(=O)NCC[NH2+]CCOC)[C@H]1CCN(c2ccccc2)C1=O ZINC000420189532 1072269993 /nfs/dbraw/zinc/26/99/93/1072269993.db2.gz UYCVLUUFBSRZJU-INIZCTEOSA-N 1 0 376.457 -0.007 20 0 GBADRO CCN(C(=O)C(=O)NCC[NH2+]CCOC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420189533 1072269587 /nfs/dbraw/zinc/26/95/87/1072269587.db2.gz UYCVLUUFBSRZJU-MRXNPFEDSA-N 1 0 376.457 -0.007 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000420189553 1072269779 /nfs/dbraw/zinc/26/97/79/1072269779.db2.gz VBENGLISNXBWQP-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000420189554 1072269650 /nfs/dbraw/zinc/26/96/50/1072269650.db2.gz VBENGLISNXBWQP-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000420189721 1072270100 /nfs/dbraw/zinc/27/01/00/1072270100.db2.gz OJVYEHAFGIHQEI-KRWDZBQOSA-N 1 0 388.468 -0.226 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000420189730 1072269950 /nfs/dbraw/zinc/26/99/50/1072269950.db2.gz OJVYEHAFGIHQEI-QGZVFWFLSA-N 1 0 388.468 -0.226 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420189794 1072270253 /nfs/dbraw/zinc/27/02/53/1072270253.db2.gz DYGFZMKLLGFZAQ-HNNXBMFYSA-N 1 0 378.404 -0.899 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000420189800 1072269974 /nfs/dbraw/zinc/26/99/74/1072269974.db2.gz DYGFZMKLLGFZAQ-OAHLLOKOSA-N 1 0 378.404 -0.899 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189806 1072269854 /nfs/dbraw/zinc/26/98/54/1072269854.db2.gz OQYCBZVVLYDFSF-HNNXBMFYSA-N 1 0 393.440 -0.115 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189808 1072270037 /nfs/dbraw/zinc/27/00/37/1072270037.db2.gz OQYCBZVVLYDFSF-OAHLLOKOSA-N 1 0 393.440 -0.115 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420190001 1072269616 /nfs/dbraw/zinc/26/96/16/1072269616.db2.gz FKGUOEUIUWNXDT-INIZCTEOSA-N 1 0 390.440 -0.916 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420190002 1072270003 /nfs/dbraw/zinc/27/00/03/1072270003.db2.gz FKGUOEUIUWNXDT-MRXNPFEDSA-N 1 0 390.440 -0.916 20 0 GBADRO O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420190508 1072269685 /nfs/dbraw/zinc/26/96/85/1072269685.db2.gz FXURKWTZVBNPHR-INIZCTEOSA-N 1 0 380.489 -0.268 20 0 GBADRO O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420190510 1072269877 /nfs/dbraw/zinc/26/98/77/1072269877.db2.gz FXURKWTZVBNPHR-MRXNPFEDSA-N 1 0 380.489 -0.268 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000420190568 1072269824 /nfs/dbraw/zinc/26/98/24/1072269824.db2.gz WAMUGHJOUHNXBV-UHFFFAOYSA-N 1 0 392.456 -0.668 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420190717 1072270284 /nfs/dbraw/zinc/27/02/84/1072270284.db2.gz PKDOINCHFQPVJZ-KRWDZBQOSA-N 1 0 378.448 -0.035 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420190720 1072269865 /nfs/dbraw/zinc/26/98/65/1072269865.db2.gz PKDOINCHFQPVJZ-QGZVFWFLSA-N 1 0 378.448 -0.035 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420190820 1072270626 /nfs/dbraw/zinc/27/06/26/1072270626.db2.gz POIYNEKOVHMSTB-HNNXBMFYSA-N 1 0 380.514 -0.071 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420190821 1072270758 /nfs/dbraw/zinc/27/07/58/1072270758.db2.gz POIYNEKOVHMSTB-OAHLLOKOSA-N 1 0 380.514 -0.071 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000420191112 1072270859 /nfs/dbraw/zinc/27/08/59/1072270859.db2.gz WUCGGIMMZNXKEN-UHFFFAOYSA-N 1 0 382.505 -0.020 20 0 GBADRO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420191279 1072270161 /nfs/dbraw/zinc/27/01/61/1072270161.db2.gz PVTHJKCZHJCVPT-CABCVRRESA-N 1 0 391.472 -0.378 20 0 GBADRO CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420191285 1072269937 /nfs/dbraw/zinc/26/99/37/1072269937.db2.gz PVTHJKCZHJCVPT-GJZGRUSLSA-N 1 0 391.472 -0.378 20 0 GBADRO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420191287 1072270293 /nfs/dbraw/zinc/27/02/93/1072270293.db2.gz PVTHJKCZHJCVPT-HUUCEWRRSA-N 1 0 391.472 -0.378 20 0 GBADRO CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420191289 1072270316 /nfs/dbraw/zinc/27/03/16/1072270316.db2.gz PVTHJKCZHJCVPT-LSDHHAIUSA-N 1 0 391.472 -0.378 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420191363 1072269539 /nfs/dbraw/zinc/26/95/39/1072269539.db2.gz QFDDILLBMWWIOW-KBXCAEBGSA-N 1 0 385.461 -0.701 20 0 GBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420191364 1072270247 /nfs/dbraw/zinc/27/02/47/1072270247.db2.gz QFDDILLBMWWIOW-KDOFPFPSSA-N 1 0 385.461 -0.701 20 0 GBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420191365 1072269601 /nfs/dbraw/zinc/26/96/01/1072269601.db2.gz QFDDILLBMWWIOW-KSSFIOAISA-N 1 0 385.461 -0.701 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420191366 1072270275 /nfs/dbraw/zinc/27/02/75/1072270275.db2.gz QFDDILLBMWWIOW-RDTXWAMCSA-N 1 0 385.461 -0.701 20 0 GBADRO CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420191734 1072270839 /nfs/dbraw/zinc/27/08/39/1072270839.db2.gz HMEGORMXBMGZGI-KBPBESRZSA-N 1 0 377.445 -0.768 20 0 GBADRO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000420191736 1072270893 /nfs/dbraw/zinc/27/08/93/1072270893.db2.gz HMEGORMXBMGZGI-KGLIPLIRSA-N 1 0 377.445 -0.768 20 0 GBADRO CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420191738 1072270961 /nfs/dbraw/zinc/27/09/61/1072270961.db2.gz HMEGORMXBMGZGI-UONOGXRCSA-N 1 0 377.445 -0.768 20 0 GBADRO CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000420191739 1072271122 /nfs/dbraw/zinc/27/11/22/1072271122.db2.gz HMEGORMXBMGZGI-ZIAGYGMSSA-N 1 0 377.445 -0.768 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000420191937 1072270998 /nfs/dbraw/zinc/27/09/98/1072270998.db2.gz QLMCZBMYAWRFAL-GOSISDBHSA-N 1 0 390.484 -0.296 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000420191940 1072270591 /nfs/dbraw/zinc/27/05/91/1072270591.db2.gz QLMCZBMYAWRFAL-SFHVURJKSA-N 1 0 390.484 -0.296 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000420192241 1072270813 /nfs/dbraw/zinc/27/08/13/1072270813.db2.gz HWGGUHXRVFVIIH-AWEZNQCLSA-N 1 0 380.420 -0.413 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000420192244 1072271152 /nfs/dbraw/zinc/27/11/52/1072271152.db2.gz 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GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c(C)o1 ZINC000420195130 1072271550 /nfs/dbraw/zinc/27/15/50/1072271550.db2.gz SYTYWRLGFMKHGQ-OAHLLOKOSA-N 1 0 392.456 -0.324 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@H]1c1ccccc1 ZINC000420195602 1072271598 /nfs/dbraw/zinc/27/15/98/1072271598.db2.gz KSTSHCKFVNMPPU-ARFHVFGLSA-N 1 0 375.425 -0.494 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[C@@H]1c1ccccc1 ZINC000420195604 1072271511 /nfs/dbraw/zinc/27/15/11/1072271511.db2.gz KSTSHCKFVNMPPU-BZUAXINKSA-N 1 0 375.425 -0.494 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420195736 1072272081 /nfs/dbraw/zinc/27/20/81/1072272081.db2.gz KVLRCSGDUDAHBK-CYBMUJFWSA-N 1 0 396.394 -0.646 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000420195747 1072271730 /nfs/dbraw/zinc/27/17/30/1072271730.db2.gz KVLRCSGDUDAHBK-ZDUSSCGKSA-N 1 0 396.394 -0.646 20 0 GBADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420196040 1072271931 /nfs/dbraw/zinc/27/19/31/1072271931.db2.gz AJQOQNAQPHEDRS-GZBFAFLISA-N 1 0 398.529 -0.437 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000420196180 1072271585 /nfs/dbraw/zinc/27/15/85/1072271585.db2.gz LFFNFERSNDPGFL-INIZCTEOSA-N 1 0 390.440 -0.916 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000420196182 1072272049 /nfs/dbraw/zinc/27/20/49/1072272049.db2.gz LFFNFERSNDPGFL-MRXNPFEDSA-N 1 0 390.440 -0.916 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420196268 1072271569 /nfs/dbraw/zinc/27/15/69/1072271569.db2.gz LJVVHNPJOGZPCA-GFCCVEGCSA-N 1 0 396.394 -0.646 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000420196270 1072271622 /nfs/dbraw/zinc/27/16/22/1072271622.db2.gz LJVVHNPJOGZPCA-LBPRGKRZSA-N 1 0 396.394 -0.646 20 0 GBADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420196514 1072272788 /nfs/dbraw/zinc/27/27/88/1072272788.db2.gz AJQOQNAQPHEDRS-KCQAQPDRSA-N 1 0 398.529 -0.437 20 0 GBADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420196516 1072272993 /nfs/dbraw/zinc/27/29/93/1072272993.db2.gz AJQOQNAQPHEDRS-UMVBOHGHSA-N 1 0 398.529 -0.437 20 0 GBADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000420196519 1072272557 /nfs/dbraw/zinc/27/25/57/1072272557.db2.gz AJQOQNAQPHEDRS-VNHYZAJKSA-N 1 0 398.529 -0.437 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420196647 1072271804 /nfs/dbraw/zinc/27/18/04/1072271804.db2.gz IOPSDFDYEHGQAI-HNNXBMFYSA-N 1 0 392.431 -0.856 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420196648 1072271720 /nfs/dbraw/zinc/27/17/20/1072271720.db2.gz IOPSDFDYEHGQAI-OAHLLOKOSA-N 1 0 392.431 -0.856 20 0 GBADRO CCc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420196883 1072267112 /nfs/dbraw/zinc/26/71/12/1072267112.db2.gz LSPLWJXAWFYBHQ-KRWDZBQOSA-N 1 0 388.468 -0.362 20 0 GBADRO CCc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420196885 1072267206 /nfs/dbraw/zinc/26/72/06/1072267206.db2.gz LSPLWJXAWFYBHQ-QGZVFWFLSA-N 1 0 388.468 -0.362 20 0 GBADRO COC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420197535 1072266109 /nfs/dbraw/zinc/26/61/09/1072266109.db2.gz MCCXHCFCPBLWHT-INIZCTEOSA-N 1 0 389.452 -0.176 20 0 GBADRO COC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420197540 1072265854 /nfs/dbraw/zinc/26/58/54/1072265854.db2.gz MCCXHCFCPBLWHT-MRXNPFEDSA-N 1 0 389.452 -0.176 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000420197557 1072266134 /nfs/dbraw/zinc/26/61/34/1072266134.db2.gz MDNBPPMMWCPLNT-KRWDZBQOSA-N 1 0 378.448 -0.035 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000420197559 1072266000 /nfs/dbraw/zinc/26/60/00/1072266000.db2.gz MDNBPPMMWCPLNT-QGZVFWFLSA-N 1 0 378.448 -0.035 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420197959 1072266988 /nfs/dbraw/zinc/26/69/88/1072266988.db2.gz VTGYRTOKAONOID-KRWDZBQOSA-N 1 0 376.457 -0.162 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420197962 1072266690 /nfs/dbraw/zinc/26/66/90/1072266690.db2.gz VTGYRTOKAONOID-QGZVFWFLSA-N 1 0 376.457 -0.162 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000420198170 1072266911 /nfs/dbraw/zinc/26/69/11/1072266911.db2.gz KTCMAQVNCSEPKZ-UHFFFAOYSA-N 1 0 378.473 -0.770 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)s1 ZINC000420198304 1072267132 /nfs/dbraw/zinc/26/71/32/1072267132.db2.gz MMWNUZYAXOGFPT-CYBMUJFWSA-N 1 0 380.470 -0.554 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)s1 ZINC000420198307 1072266994 /nfs/dbraw/zinc/26/69/94/1072266994.db2.gz MMWNUZYAXOGFPT-ZDUSSCGKSA-N 1 0 380.470 -0.554 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000420198836 1072267149 /nfs/dbraw/zinc/26/71/49/1072267149.db2.gz MTJSRJXAJKTJMP-GDBMZVCRSA-N 1 0 375.425 -0.220 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000420198841 1072267026 /nfs/dbraw/zinc/26/70/26/1072267026.db2.gz MTJSRJXAJKTJMP-GOEBONIOSA-N 1 0 375.425 -0.220 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000420198846 1072266731 /nfs/dbraw/zinc/26/67/31/1072266731.db2.gz MTJSRJXAJKTJMP-HOCLYGCPSA-N 1 0 375.425 -0.220 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000420198850 1072266642 /nfs/dbraw/zinc/26/66/42/1072266642.db2.gz MTJSRJXAJKTJMP-ZBFHGGJFSA-N 1 0 375.425 -0.220 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420198918 1072267187 /nfs/dbraw/zinc/26/71/87/1072267187.db2.gz MWGMJYXWAVZKOA-CYBMUJFWSA-N 1 0 396.394 -0.646 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000420198921 1072266920 /nfs/dbraw/zinc/26/69/20/1072266920.db2.gz MWGMJYXWAVZKOA-ZDUSSCGKSA-N 1 0 396.394 -0.646 20 0 GBADRO COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420198975 1072267171 /nfs/dbraw/zinc/26/71/71/1072267171.db2.gz WJNYSTWVLQFZLD-HNNXBMFYSA-N 1 0 394.447 -0.022 20 0 GBADRO COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420198977 1072267159 /nfs/dbraw/zinc/26/71/59/1072267159.db2.gz WJNYSTWVLQFZLD-OAHLLOKOSA-N 1 0 394.447 -0.022 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420199156 1072267181 /nfs/dbraw/zinc/26/71/81/1072267181.db2.gz WQZYJZJODKQEJN-KRWDZBQOSA-N 1 0 388.468 -0.605 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420199161 1072266790 /nfs/dbraw/zinc/26/67/90/1072266790.db2.gz WQZYJZJODKQEJN-QGZVFWFLSA-N 1 0 388.468 -0.605 20 0 GBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000420200250 1072267218 /nfs/dbraw/zinc/26/72/18/1072267218.db2.gz MORUFWNHKKRRNI-ITNKIWFMSA-N 1 0 392.500 -0.380 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCO1 ZINC000420200255 1072267142 /nfs/dbraw/zinc/26/71/42/1072267142.db2.gz MORUFWNHKKRRNI-XQYHGENGSA-N 1 0 392.500 -0.380 20 0 GBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420200472 1072266576 /nfs/dbraw/zinc/26/65/76/1072266576.db2.gz XHLOISIAKXAMIF-HNNXBMFYSA-N 1 0 376.461 -0.763 20 0 GBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420200478 1072266968 /nfs/dbraw/zinc/26/69/68/1072266968.db2.gz XHLOISIAKXAMIF-OAHLLOKOSA-N 1 0 376.461 -0.763 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)s1 ZINC000420201346 1072266756 /nfs/dbraw/zinc/26/67/56/1072266756.db2.gz YKMHQUUPQIVBLR-AWEZNQCLSA-N 1 0 394.497 -0.164 20 0 GBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201370 1072266517 /nfs/dbraw/zinc/26/65/17/1072266517.db2.gz OKBYYKWXPXPDMT-GOSISDBHSA-N 1 0 389.500 -0.628 20 0 GBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201371 1072266801 /nfs/dbraw/zinc/26/68/01/1072266801.db2.gz OKBYYKWXPXPDMT-SFHVURJKSA-N 1 0 389.500 -0.628 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)s1 ZINC000420201760 1072267530 /nfs/dbraw/zinc/26/75/30/1072267530.db2.gz YKMHQUUPQIVBLR-CQSZACIVSA-N 1 0 394.497 -0.164 20 0 GBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420202351 1072266669 /nfs/dbraw/zinc/26/66/69/1072266669.db2.gz PCLMIAUCLNAINR-KNBMTAEXSA-N 1 0 391.468 -0.340 20 0 GBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420202352 1072266865 /nfs/dbraw/zinc/26/68/65/1072266865.db2.gz PCLMIAUCLNAINR-RIFZZMRRSA-N 1 0 391.468 -0.340 20 0 GBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420202353 1072267015 /nfs/dbraw/zinc/26/70/15/1072267015.db2.gz PCLMIAUCLNAINR-VPWXQRGCSA-N 1 0 391.468 -0.340 20 0 GBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420202354 1072266938 /nfs/dbraw/zinc/26/69/38/1072266938.db2.gz PCLMIAUCLNAINR-XAUMDUMWSA-N 1 0 391.468 -0.340 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000420202819 1072267853 /nfs/dbraw/zinc/26/78/53/1072267853.db2.gz ZFJJLGHJGHSFIV-INIZCTEOSA-N 1 0 392.431 -0.395 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000420202822 1072267876 /nfs/dbraw/zinc/26/78/76/1072267876.db2.gz ZFJJLGHJGHSFIV-MRXNPFEDSA-N 1 0 392.431 -0.395 20 0 GBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000420202883 1072267512 /nfs/dbraw/zinc/26/75/12/1072267512.db2.gz QALBLSYQIHPWSF-CABCVRRESA-N 1 0 389.456 -0.328 20 0 GBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000420202884 1072267541 /nfs/dbraw/zinc/26/75/41/1072267541.db2.gz QALBLSYQIHPWSF-GJZGRUSLSA-N 1 0 389.456 -0.328 20 0 GBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000420202885 1072267588 /nfs/dbraw/zinc/26/75/88/1072267588.db2.gz QALBLSYQIHPWSF-HUUCEWRRSA-N 1 0 389.456 -0.328 20 0 GBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000420202886 1072267950 /nfs/dbraw/zinc/26/79/50/1072267950.db2.gz QALBLSYQIHPWSF-LSDHHAIUSA-N 1 0 389.456 -0.328 20 0 GBADRO CCOc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202945 1072268105 /nfs/dbraw/zinc/26/81/05/1072268105.db2.gz PTZIWZPQKMHSJE-GOSISDBHSA-N 1 0 390.484 -0.166 20 0 GBADRO CCOc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202946 1072267560 /nfs/dbraw/zinc/26/75/60/1072267560.db2.gz PTZIWZPQKMHSJE-SFHVURJKSA-N 1 0 390.484 -0.166 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000420203004 1072267709 /nfs/dbraw/zinc/26/77/09/1072267709.db2.gz PWMQHPPKPNCBSN-GFCCVEGCSA-N 1 0 390.469 -0.556 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 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393.454 -0.120 20 0 GBADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420210038 1072275271 /nfs/dbraw/zinc/27/52/71/1072275271.db2.gz SBWAKOPACWGIQT-CABCVRRESA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420210039 1072275098 /nfs/dbraw/zinc/27/50/98/1072275098.db2.gz SBWAKOPACWGIQT-GJZGRUSLSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420210040 1072275365 /nfs/dbraw/zinc/27/53/65/1072275365.db2.gz SBWAKOPACWGIQT-HUUCEWRRSA-N 1 0 394.497 -0.237 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420210041 1072275784 /nfs/dbraw/zinc/27/57/84/1072275784.db2.gz SBWAKOPACWGIQT-LSDHHAIUSA-N 1 0 394.497 -0.237 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000420210252 1072275540 /nfs/dbraw/zinc/27/55/40/1072275540.db2.gz WBLUSYBDEPJERO-KSZLIROESA-N 1 0 388.468 -0.797 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000420210258 1072275182 /nfs/dbraw/zinc/27/51/82/1072275182.db2.gz WBLUSYBDEPJERO-KURKYZTESA-N 1 0 388.468 -0.797 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000420210318 1072275341 /nfs/dbraw/zinc/27/53/41/1072275341.db2.gz WDXSCWFKIDXSLP-HNNXBMFYSA-N 1 0 394.447 -0.417 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1F ZINC000420210321 1072275374 /nfs/dbraw/zinc/27/53/74/1072275374.db2.gz WDXSCWFKIDXSLP-OAHLLOKOSA-N 1 0 394.447 -0.417 20 0 GBADRO COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210425 1072275158 /nfs/dbraw/zinc/27/51/58/1072275158.db2.gz WHOSAKDTQVRYNZ-INIZCTEOSA-N 1 0 383.420 -0.216 20 0 GBADRO COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420210429 1072275500 /nfs/dbraw/zinc/27/55/00/1072275500.db2.gz WHOSAKDTQVRYNZ-MRXNPFEDSA-N 1 0 383.420 -0.216 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000420210543 1072275877 /nfs/dbraw/zinc/27/58/77/1072275877.db2.gz HGASOTYMRJHONJ-KBPBESRZSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000420210544 1072275824 /nfs/dbraw/zinc/27/58/24/1072275824.db2.gz HGASOTYMRJHONJ-KGLIPLIRSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000420210545 1072275586 /nfs/dbraw/zinc/27/55/86/1072275586.db2.gz HGASOTYMRJHONJ-UONOGXRCSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000420210546 1072275283 /nfs/dbraw/zinc/27/52/83/1072275283.db2.gz HGASOTYMRJHONJ-ZIAGYGMSSA-N 1 0 393.454 -0.263 20 0 GBADRO Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000420210886 1072275748 /nfs/dbraw/zinc/27/57/48/1072275748.db2.gz WMHTYVNKFIJPMQ-KRWDZBQOSA-N 1 0 388.468 -0.226 20 0 GBADRO Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000420210889 1072275900 /nfs/dbraw/zinc/27/59/00/1072275900.db2.gz WMHTYVNKFIJPMQ-QGZVFWFLSA-N 1 0 388.468 -0.226 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000420211007 1072275851 /nfs/dbraw/zinc/27/58/51/1072275851.db2.gz WVJVVOGHHVIACN-GFCCVEGCSA-N 1 0 390.469 -0.556 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000420211008 1072275912 /nfs/dbraw/zinc/27/59/12/1072275912.db2.gz WVJVVOGHHVIACN-LBPRGKRZSA-N 1 0 390.469 -0.556 20 0 GBADRO CN(CC1(O)CCCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420211144 1072275790 /nfs/dbraw/zinc/27/57/90/1072275790.db2.gz HOPFPJKABVVUQX-GFCCVEGCSA-N 1 0 380.411 -0.298 20 0 GBADRO CN(CC1(O)CCCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420211145 1072275424 /nfs/dbraw/zinc/27/54/24/1072275424.db2.gz HOPFPJKABVVUQX-LBPRGKRZSA-N 1 0 380.411 -0.298 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420211195 1072275524 /nfs/dbraw/zinc/27/55/24/1072275524.db2.gz NXNIRBSATMOQEG-BRWVUGGUSA-N 1 0 393.532 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420211198 1072275870 /nfs/dbraw/zinc/27/58/70/1072275870.db2.gz NXNIRBSATMOQEG-GVDBMIGSSA-N 1 0 393.532 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420211200 1072275251 /nfs/dbraw/zinc/27/52/51/1072275251.db2.gz NXNIRBSATMOQEG-IXDOHACOSA-N 1 0 393.532 -0.497 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420211203 1072275145 /nfs/dbraw/zinc/27/51/45/1072275145.db2.gz NXNIRBSATMOQEG-YESZJQIVSA-N 1 0 393.532 -0.497 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000420211411 1072275328 /nfs/dbraw/zinc/27/53/28/1072275328.db2.gz XAPPJFKHTWQEQW-DLBZAZTESA-N 1 0 388.468 -0.098 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000420211413 1072275126 /nfs/dbraw/zinc/27/51/26/1072275126.db2.gz XAPPJFKHTWQEQW-IAGOWNOFSA-N 1 0 388.468 -0.098 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000420211415 1072275312 /nfs/dbraw/zinc/27/53/12/1072275312.db2.gz XAPPJFKHTWQEQW-IRXDYDNUSA-N 1 0 388.468 -0.098 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000420211417 1072275406 /nfs/dbraw/zinc/27/54/06/1072275406.db2.gz XAPPJFKHTWQEQW-SJORKVTESA-N 1 0 388.468 -0.098 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420211427 1072275798 /nfs/dbraw/zinc/27/57/98/1072275798.db2.gz XCNLOVPARDLSAF-HNNXBMFYSA-N 1 0 394.859 -0.385 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000420211428 1072275478 /nfs/dbraw/zinc/27/54/78/1072275478.db2.gz XCNLOVPARDLSAF-OAHLLOKOSA-N 1 0 394.859 -0.385 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000420211929 1072275671 /nfs/dbraw/zinc/27/56/71/1072275671.db2.gz IAIQXJRQMOQEBY-JHJVBQTASA-N 1 0 380.411 -0.035 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000420211934 1072276350 /nfs/dbraw/zinc/27/63/50/1072276350.db2.gz IAIQXJRQMOQEBY-UPJWGTAASA-N 1 0 380.411 -0.035 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000420211938 1072276960 /nfs/dbraw/zinc/27/69/60/1072276960.db2.gz IAIQXJRQMOQEBY-XQQFMLRXSA-N 1 0 380.411 -0.035 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000420211941 1072276843 /nfs/dbraw/zinc/27/68/43/1072276843.db2.gz IAIQXJRQMOQEBY-YNEHKIRRSA-N 1 0 380.411 -0.035 20 0 GBADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)CC2 ZINC000420212395 1072276482 /nfs/dbraw/zinc/27/64/82/1072276482.db2.gz XSWICBMIJSIULK-HNNXBMFYSA-N 1 0 377.441 -0.264 20 0 GBADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)CC2 ZINC000420212399 1072276796 /nfs/dbraw/zinc/27/67/96/1072276796.db2.gz XSWICBMIJSIULK-OAHLLOKOSA-N 1 0 377.441 -0.264 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCCC[C@@H]1CCO ZINC000420212615 1072275111 /nfs/dbraw/zinc/27/51/11/1072275111.db2.gz INUDDRIUGDZQGF-CHWSQXEVSA-N 1 0 380.411 -0.298 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCCC[C@@H]1CCO ZINC000420212616 1072275761 /nfs/dbraw/zinc/27/57/61/1072275761.db2.gz INUDDRIUGDZQGF-OLZOCXBDSA-N 1 0 380.411 -0.298 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCCC[C@H]1CCO ZINC000420212617 1072275260 /nfs/dbraw/zinc/27/52/60/1072275260.db2.gz INUDDRIUGDZQGF-QWHCGFSZSA-N 1 0 380.411 -0.298 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCCC[C@H]1CCO ZINC000420212618 1072275932 /nfs/dbraw/zinc/27/59/32/1072275932.db2.gz INUDDRIUGDZQGF-STQMWFEESA-N 1 0 380.411 -0.298 20 0 GBADRO CCCN(CC(C)(C)O)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420212714 1072276744 /nfs/dbraw/zinc/27/67/44/1072276744.db2.gz IVDBRDCBNIXPFE-GFCCVEGCSA-N 1 0 382.427 -0.052 20 0 GBADRO CCCN(CC(C)(C)O)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420212715 1072276710 /nfs/dbraw/zinc/27/67/10/1072276710.db2.gz IVDBRDCBNIXPFE-LBPRGKRZSA-N 1 0 382.427 -0.052 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420213256 1072276424 /nfs/dbraw/zinc/27/64/24/1072276424.db2.gz IVZHYBFAPDKUGO-HNNXBMFYSA-N 1 0 378.404 -0.504 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420213258 1072276929 /nfs/dbraw/zinc/27/69/29/1072276929.db2.gz IVZHYBFAPDKUGO-OAHLLOKOSA-N 1 0 378.404 -0.504 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CC2)CC1 ZINC000420213261 1072276363 /nfs/dbraw/zinc/27/63/63/1072276363.db2.gz IWSODKZSNSESGC-CYBMUJFWSA-N 1 0 377.411 -0.755 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCN(C2CC2)CC1 ZINC000420213264 1072276880 /nfs/dbraw/zinc/27/68/80/1072276880.db2.gz IWSODKZSNSESGC-ZDUSSCGKSA-N 1 0 377.411 -0.755 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOCC2(CCC2)C1 ZINC000420213476 1072276955 /nfs/dbraw/zinc/27/69/55/1072276955.db2.gz JMBVVABRYKKSOE-CYBMUJFWSA-N 1 0 392.422 -0.032 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOCC2(CCC2)C1 ZINC000420213477 1072276699 /nfs/dbraw/zinc/27/66/99/1072276699.db2.gz JMBVVABRYKKSOE-ZDUSSCGKSA-N 1 0 392.422 -0.032 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000420213586 1072276209 /nfs/dbraw/zinc/27/62/09/1072276209.db2.gz UUAXFSJOZHYUHW-DLBZAZTESA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000420213590 1072276407 /nfs/dbraw/zinc/27/64/07/1072276407.db2.gz UUAXFSJOZHYUHW-IAGOWNOFSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000420213593 1072276224 /nfs/dbraw/zinc/27/62/24/1072276224.db2.gz UUAXFSJOZHYUHW-IRXDYDNUSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000420213596 1072276665 /nfs/dbraw/zinc/27/66/65/1072276665.db2.gz UUAXFSJOZHYUHW-SJORKVTESA-N 1 0 393.532 -0.223 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420213687 1072276673 /nfs/dbraw/zinc/27/66/73/1072276673.db2.gz YYNFHUJXAXIKLV-HNNXBMFYSA-N 1 0 394.859 -0.385 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000420213689 1072276434 /nfs/dbraw/zinc/27/64/34/1072276434.db2.gz YYNFHUJXAXIKLV-OAHLLOKOSA-N 1 0 394.859 -0.385 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000420213702 1072276832 /nfs/dbraw/zinc/27/68/32/1072276832.db2.gz YZURKKQATCKVCZ-INIZCTEOSA-N 1 0 377.441 -0.213 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC(OCCCOc2ccccc2)C1 ZINC000420213706 1072276277 /nfs/dbraw/zinc/27/62/77/1072276277.db2.gz YZURKKQATCKVCZ-MRXNPFEDSA-N 1 0 377.441 -0.213 20 0 GBADRO Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)nc(C(C)C)n1 ZINC000420213992 1072276717 /nfs/dbraw/zinc/27/67/17/1072276717.db2.gz ZCYGYGGIHJSUII-HNNXBMFYSA-N 1 0 390.488 -0.338 20 0 GBADRO 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NTIBERPNDPYWRI-OLZOCXBDSA-N 1 0 380.411 -0.178 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420218435 1072277379 /nfs/dbraw/zinc/27/73/79/1072277379.db2.gz NTIBERPNDPYWRI-QWHCGFSZSA-N 1 0 380.411 -0.178 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420218436 1072277411 /nfs/dbraw/zinc/27/74/11/1072277411.db2.gz NTIBERPNDPYWRI-STQMWFEESA-N 1 0 380.411 -0.178 20 0 GBADRO CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420218466 1072277711 /nfs/dbraw/zinc/27/77/11/1072277711.db2.gz NVVAHACKCZYNQG-CHWSQXEVSA-N 1 0 380.411 -0.034 20 0 GBADRO CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420218467 1072277611 /nfs/dbraw/zinc/27/76/11/1072277611.db2.gz NVVAHACKCZYNQG-OLZOCXBDSA-N 1 0 380.411 -0.034 20 0 GBADRO CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420218468 1072277700 /nfs/dbraw/zinc/27/77/00/1072277700.db2.gz NVVAHACKCZYNQG-QWHCGFSZSA-N 1 0 380.411 -0.034 20 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COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)ncn1 ZINC000420219197 1072278591 /nfs/dbraw/zinc/27/85/91/1072278591.db2.gz XBRVSQHHUIXXRA-QLFBSQMISA-N 1 0 388.472 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)ncn1 ZINC000420219199 1072278296 /nfs/dbraw/zinc/27/82/96/1072278296.db2.gz XBRVSQHHUIXXRA-RBSFLKMASA-N 1 0 388.472 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)ncn1 ZINC000420219201 1072278492 /nfs/dbraw/zinc/27/84/92/1072278492.db2.gz XBRVSQHHUIXXRA-RRFJBIMHSA-N 1 0 388.472 -0.362 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)ncn1 ZINC000420219204 1072278313 /nfs/dbraw/zinc/27/83/13/1072278313.db2.gz XBRVSQHHUIXXRA-SOUVJXGZSA-N 1 0 388.472 -0.362 20 0 GBADRO CC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420219543 1072278649 /nfs/dbraw/zinc/27/86/49/1072278649.db2.gz OUBWDAUKSGAKOP-DOMZBBRYSA-N 1 0 380.411 -0.298 20 0 GBADRO CC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420219544 1072278567 /nfs/dbraw/zinc/27/85/67/1072278567.db2.gz OUBWDAUKSGAKOP-IUODEOHRSA-N 1 0 380.411 -0.298 20 0 GBADRO CC[C@]1(CO)CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420219545 1072278285 /nfs/dbraw/zinc/27/82/85/1072278285.db2.gz OUBWDAUKSGAKOP-SWLSCSKDSA-N 1 0 380.411 -0.298 20 0 GBADRO CC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420219546 1072278539 /nfs/dbraw/zinc/27/85/39/1072278539.db2.gz OUBWDAUKSGAKOP-WFASDCNBSA-N 1 0 380.411 -0.298 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000420219554 1072278586 /nfs/dbraw/zinc/27/85/86/1072278586.db2.gz OUVMVZUXMPEFHR-AGIUHOORSA-N 1 0 396.410 -0.799 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000420219555 1072278238 /nfs/dbraw/zinc/27/82/38/1072278238.db2.gz OUVMVZUXMPEFHR-AVGNSLFASA-N 1 0 396.410 -0.799 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)O1 ZINC000420219556 1072278640 /nfs/dbraw/zinc/27/86/40/1072278640.db2.gz OUVMVZUXMPEFHR-FRRDWIJNSA-N 1 0 396.410 -0.799 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000420219557 1072278496 /nfs/dbraw/zinc/27/84/96/1072278496.db2.gz OUVMVZUXMPEFHR-RWMBFGLXSA-N 1 0 396.410 -0.799 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420220390 1072278379 /nfs/dbraw/zinc/27/83/79/1072278379.db2.gz ZCBOSFAATHGKPP-BRWVUGGUSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420220391 1072278408 /nfs/dbraw/zinc/27/84/08/1072278408.db2.gz ZCBOSFAATHGKPP-IKGGRYGDSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420220392 1072278559 /nfs/dbraw/zinc/27/85/59/1072278559.db2.gz ZCBOSFAATHGKPP-IXDOHACOSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420220393 1072278545 /nfs/dbraw/zinc/27/85/45/1072278545.db2.gz ZCBOSFAATHGKPP-ZACQAIPSSA-N 1 0 393.532 -0.225 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCc2ncsc2C1 ZINC000420220807 1072272960 /nfs/dbraw/zinc/27/29/60/1072272960.db2.gz PRGSNCROJMPVOQ-GFCCVEGCSA-N 1 0 391.419 -0.020 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCc2ncsc2C1 ZINC000420220810 1072272440 /nfs/dbraw/zinc/27/24/40/1072272440.db2.gz PRGSNCROJMPVOQ-LBPRGKRZSA-N 1 0 391.419 -0.020 20 0 GBADRO COC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220816 1072272798 /nfs/dbraw/zinc/27/27/98/1072272798.db2.gz PRKNSNDZYCCIRE-CHWSQXEVSA-N 1 0 380.411 -0.034 20 0 GBADRO COC[C@H]1CCCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220818 1072272392 /nfs/dbraw/zinc/27/23/92/1072272392.db2.gz PRKNSNDZYCCIRE-OLZOCXBDSA-N 1 0 380.411 -0.034 20 0 GBADRO COC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220821 1072272509 /nfs/dbraw/zinc/27/25/09/1072272509.db2.gz PRKNSNDZYCCIRE-QWHCGFSZSA-N 1 0 380.411 -0.034 20 0 GBADRO COC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220823 1072272768 /nfs/dbraw/zinc/27/27/68/1072272768.db2.gz PRKNSNDZYCCIRE-STQMWFEESA-N 1 0 380.411 -0.034 20 0 GBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221415 1072278620 /nfs/dbraw/zinc/27/86/20/1072278620.db2.gz PZOWNBAAEPUDLG-BDAKNGLRSA-N 1 0 394.316 -0.680 20 0 GBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221418 1072279556 /nfs/dbraw/zinc/27/95/56/1072279556.db2.gz PZOWNBAAEPUDLG-DTWKUNHWSA-N 1 0 394.316 -0.680 20 0 GBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221420 1072279566 /nfs/dbraw/zinc/27/95/66/1072279566.db2.gz PZOWNBAAEPUDLG-IUCAKERBSA-N 1 0 394.316 -0.680 20 0 GBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221421 1072279480 /nfs/dbraw/zinc/27/94/80/1072279480.db2.gz PZOWNBAAEPUDLG-RKDXNWHRSA-N 1 0 394.316 -0.680 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000420221436 1072279536 /nfs/dbraw/zinc/27/95/36/1072279536.db2.gz QBKHTYKHUYXLFY-AGIUHOORSA-N 1 0 378.395 -0.281 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000420221438 1072279408 /nfs/dbraw/zinc/27/94/08/1072279408.db2.gz QBKHTYKHUYXLFY-FRRDWIJNSA-N 1 0 378.395 -0.281 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420221447 1072279015 /nfs/dbraw/zinc/27/90/15/1072279015.db2.gz QCESBFDQXBBIGG-CHWSQXEVSA-N 1 0 380.411 -0.034 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420221449 1072279606 /nfs/dbraw/zinc/27/96/06/1072279606.db2.gz QCESBFDQXBBIGG-OLZOCXBDSA-N 1 0 380.411 -0.034 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420221450 1072279138 /nfs/dbraw/zinc/27/91/38/1072279138.db2.gz QCESBFDQXBBIGG-QWHCGFSZSA-N 1 0 380.411 -0.034 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCO1 ZINC000420221452 1072279175 /nfs/dbraw/zinc/27/91/75/1072279175.db2.gz QCESBFDQXBBIGG-STQMWFEESA-N 1 0 380.411 -0.034 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000420221467 1072279571 /nfs/dbraw/zinc/27/95/71/1072279571.db2.gz QDFWTBBWVYYECU-CHWSQXEVSA-N 1 0 380.411 -0.034 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000420221468 1072279544 /nfs/dbraw/zinc/27/95/44/1072279544.db2.gz QDFWTBBWVYYECU-OLZOCXBDSA-N 1 0 380.411 -0.034 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000420221469 1072279183 /nfs/dbraw/zinc/27/91/83/1072279183.db2.gz QDFWTBBWVYYECU-QWHCGFSZSA-N 1 0 380.411 -0.034 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000420221470 1072279164 /nfs/dbraw/zinc/27/91/64/1072279164.db2.gz QDFWTBBWVYYECU-STQMWFEESA-N 1 0 380.411 -0.034 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222589 1072272760 /nfs/dbraw/zinc/27/27/60/1072272760.db2.gz SGDCVLIZSPETDV-CYBMUJFWSA-N 1 0 396.410 -0.797 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222590 1072272920 /nfs/dbraw/zinc/27/29/20/1072272920.db2.gz SGDCVLIZSPETDV-ZDUSSCGKSA-N 1 0 396.410 -0.797 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000420222625 1072272356 /nfs/dbraw/zinc/27/23/56/1072272356.db2.gz SLAYYEQNNGJQHC-DOMZBBRYSA-N 1 0 378.395 -0.688 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000420222626 1072272849 /nfs/dbraw/zinc/27/28/49/1072272849.db2.gz SLAYYEQNNGJQHC-IUODEOHRSA-N 1 0 378.395 -0.688 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000420222627 1072272570 /nfs/dbraw/zinc/27/25/70/1072272570.db2.gz SLAYYEQNNGJQHC-SWLSCSKDSA-N 1 0 378.395 -0.688 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000420222628 1072273042 /nfs/dbraw/zinc/27/30/42/1072273042.db2.gz SLAYYEQNNGJQHC-WFASDCNBSA-N 1 0 378.395 -0.688 20 0 GBADRO CCC1(CO)CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420222645 1072272753 /nfs/dbraw/zinc/27/27/53/1072272753.db2.gz SOERLKUQCIPHDJ-CYBMUJFWSA-N 1 0 394.438 -0.050 20 0 GBADRO CCC1(CO)CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420222646 1072272678 /nfs/dbraw/zinc/27/26/78/1072272678.db2.gz SOERLKUQCIPHDJ-ZDUSSCGKSA-N 1 0 394.438 -0.050 20 0 GBADRO COCCN(CC(F)F)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420222765 1072273264 /nfs/dbraw/zinc/27/32/64/1072273264.db2.gz SRECBVMABXQHOX-JTQLQIEISA-N 1 0 390.353 -0.321 20 0 GBADRO COCCN(CC(F)F)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420222766 1072273703 /nfs/dbraw/zinc/27/37/03/1072273703.db2.gz SRECBVMABXQHOX-SNVBAGLBSA-N 1 0 390.353 -0.321 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000420222854 1072273446 /nfs/dbraw/zinc/27/34/46/1072273446.db2.gz UARBDLBCDJTEFF-CHWSQXEVSA-N 1 0 378.395 -0.424 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000420222856 1072273464 /nfs/dbraw/zinc/27/34/64/1072273464.db2.gz UARBDLBCDJTEFF-OLZOCXBDSA-N 1 0 378.395 -0.424 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@H]1C1CC1 ZINC000420222858 1072273598 /nfs/dbraw/zinc/27/35/98/1072273598.db2.gz UARBDLBCDJTEFF-QWHCGFSZSA-N 1 0 378.395 -0.424 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCOC[C@H]1C1CC1 ZINC000420222860 1072273552 /nfs/dbraw/zinc/27/35/52/1072273552.db2.gz UARBDLBCDJTEFF-STQMWFEESA-N 1 0 378.395 -0.424 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420223146 1072273537 /nfs/dbraw/zinc/27/35/37/1072273537.db2.gz UNLWKPCDPWWAMB-GFCCVEGCSA-N 1 0 382.490 -0.756 20 0 GBADRO CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)n1 ZINC000420223147 1072273734 /nfs/dbraw/zinc/27/37/34/1072273734.db2.gz UNLWKPCDPWWAMB-LBPRGKRZSA-N 1 0 382.490 -0.756 20 0 GBADRO COCCN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000420223296 1072273374 /nfs/dbraw/zinc/27/33/74/1072273374.db2.gz UTBQBJCUJGIIEF-CHWSQXEVSA-N 1 0 396.410 -0.797 20 0 GBADRO COCCN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000420223297 1072273320 /nfs/dbraw/zinc/27/33/20/1072273320.db2.gz UTBQBJCUJGIIEF-OLZOCXBDSA-N 1 0 396.410 -0.797 20 0 GBADRO COCCN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000420223298 1072273383 /nfs/dbraw/zinc/27/33/83/1072273383.db2.gz UTBQBJCUJGIIEF-QWHCGFSZSA-N 1 0 396.410 -0.797 20 0 GBADRO COCCN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000420223299 1072273407 /nfs/dbraw/zinc/27/34/07/1072273407.db2.gz UTBQBJCUJGIIEF-STQMWFEESA-N 1 0 396.410 -0.797 20 0 GBADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223491 1072272371 /nfs/dbraw/zinc/27/23/71/1072272371.db2.gz VDPWRSNWYARVGS-AVGNSLFASA-N 1 0 380.411 -0.442 20 0 GBADRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223492 1072272971 /nfs/dbraw/zinc/27/29/71/1072272971.db2.gz VDPWRSNWYARVGS-RWMBFGLXSA-N 1 0 380.411 -0.442 20 0 GBADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223493 1072272950 /nfs/dbraw/zinc/27/29/50/1072272950.db2.gz VDPWRSNWYARVGS-XQQFMLRXSA-N 1 0 380.411 -0.442 20 0 GBADRO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223494 1072272982 /nfs/dbraw/zinc/27/29/82/1072272982.db2.gz VDPWRSNWYARVGS-YNEHKIRRSA-N 1 0 380.411 -0.442 20 0 GBADRO COc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420223532 1072273641 /nfs/dbraw/zinc/27/36/41/1072273641.db2.gz VGYPAHMMIVPSHO-HNNXBMFYSA-N 1 0 376.457 -0.162 20 0 GBADRO COc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420223533 1072273364 /nfs/dbraw/zinc/27/33/64/1072273364.db2.gz VGYPAHMMIVPSHO-OAHLLOKOSA-N 1 0 376.457 -0.162 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000420223683 1072272670 /nfs/dbraw/zinc/27/26/70/1072272670.db2.gz VNFADZFMRJCPKF-BBRMVZONSA-N 1 0 392.422 -0.032 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000420223684 1072272820 /nfs/dbraw/zinc/27/28/20/1072272820.db2.gz VNFADZFMRJCPKF-CJNGLKHVSA-N 1 0 392.422 -0.032 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000420223685 1072272332 /nfs/dbraw/zinc/27/23/32/1072272332.db2.gz VNFADZFMRJCPKF-CZUORRHYSA-N 1 0 392.422 -0.032 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000420223686 1072272606 /nfs/dbraw/zinc/27/26/06/1072272606.db2.gz VNFADZFMRJCPKF-XJKSGUPXSA-N 1 0 392.422 -0.032 20 0 GBADRO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223701 1072272519 /nfs/dbraw/zinc/27/25/19/1072272519.db2.gz VTUDKCOPQJICBY-AVGNSLFASA-N 1 0 380.411 -0.299 20 0 GBADRO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223702 1072272425 /nfs/dbraw/zinc/27/24/25/1072272425.db2.gz VTUDKCOPQJICBY-RWMBFGLXSA-N 1 0 380.411 -0.299 20 0 GBADRO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223703 1072272472 /nfs/dbraw/zinc/27/24/72/1072272472.db2.gz VTUDKCOPQJICBY-XQQFMLRXSA-N 1 0 380.411 -0.299 20 0 GBADRO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420223704 1072272408 /nfs/dbraw/zinc/27/24/08/1072272408.db2.gz VTUDKCOPQJICBY-YNEHKIRRSA-N 1 0 380.411 -0.299 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000420223933 1072273621 /nfs/dbraw/zinc/27/36/21/1072273621.db2.gz WEULYZLOUPCCDL-KBPBESRZSA-N 1 0 392.422 -0.034 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000420223935 1072273589 /nfs/dbraw/zinc/27/35/89/1072273589.db2.gz WEULYZLOUPCCDL-KGLIPLIRSA-N 1 0 392.422 -0.034 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000420223937 1072273430 /nfs/dbraw/zinc/27/34/30/1072273430.db2.gz WEULYZLOUPCCDL-UONOGXRCSA-N 1 0 392.422 -0.034 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000420223938 1072273770 /nfs/dbraw/zinc/27/37/70/1072273770.db2.gz WEULYZLOUPCCDL-ZIAGYGMSSA-N 1 0 392.422 -0.034 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)C1 ZINC000420224003 1072273631 /nfs/dbraw/zinc/27/36/31/1072273631.db2.gz WIWRYYBZXBTQNK-AAEUAGOBSA-N 1 0 393.410 -0.982 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)C1 ZINC000420224005 1072273395 /nfs/dbraw/zinc/27/33/95/1072273395.db2.gz WIWRYYBZXBTQNK-DGCLKSJQSA-N 1 0 393.410 -0.982 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)C1 ZINC000420224006 1072273494 /nfs/dbraw/zinc/27/34/94/1072273494.db2.gz WIWRYYBZXBTQNK-WCQYABFASA-N 1 0 393.410 -0.982 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)C1 ZINC000420224008 1072273605 /nfs/dbraw/zinc/27/36/05/1072273605.db2.gz WIWRYYBZXBTQNK-YPMHNXCESA-N 1 0 393.410 -0.982 20 0 GBADRO CN(CC[C@H]1CCCO1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224601 1072273687 /nfs/dbraw/zinc/27/36/87/1072273687.db2.gz XHRFCEVRFIPISP-CHWSQXEVSA-N 1 0 380.411 -0.034 20 0 GBADRO CN(CC[C@H]1CCCO1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224602 1072273470 /nfs/dbraw/zinc/27/34/70/1072273470.db2.gz XHRFCEVRFIPISP-OLZOCXBDSA-N 1 0 380.411 -0.034 20 0 GBADRO CN(CC[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224603 1072273781 /nfs/dbraw/zinc/27/37/81/1072273781.db2.gz XHRFCEVRFIPISP-QWHCGFSZSA-N 1 0 380.411 -0.034 20 0 GBADRO CN(CC[C@@H]1CCCO1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224604 1072273741 /nfs/dbraw/zinc/27/37/41/1072273741.db2.gz XHRFCEVRFIPISP-STQMWFEESA-N 1 0 380.411 -0.034 20 0 GBADRO CC[C@]1(CO)CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225077 1072274806 /nfs/dbraw/zinc/27/48/06/1072274806.db2.gz YEEIJFCIPULTGJ-BBRMVZONSA-N 1 0 394.438 -0.050 20 0 GBADRO CC[C@]1(CO)CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225078 1072274737 /nfs/dbraw/zinc/27/47/37/1072274737.db2.gz YEEIJFCIPULTGJ-CJNGLKHVSA-N 1 0 394.438 -0.050 20 0 GBADRO CC[C@@]1(CO)CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225079 1072274597 /nfs/dbraw/zinc/27/45/97/1072274597.db2.gz YEEIJFCIPULTGJ-CZUORRHYSA-N 1 0 394.438 -0.050 20 0 GBADRO CC[C@@]1(CO)CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225080 1072274373 /nfs/dbraw/zinc/27/43/73/1072274373.db2.gz YEEIJFCIPULTGJ-XJKSGUPXSA-N 1 0 394.438 -0.050 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225334 1072274788 /nfs/dbraw/zinc/27/47/88/1072274788.db2.gz YJSIUMSABIOYQM-NEPJUHHUSA-N 1 0 394.394 -0.650 20 0 GBADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225335 1072274163 /nfs/dbraw/zinc/27/41/63/1072274163.db2.gz YJSIUMSABIOYQM-NWDGAFQWSA-N 1 0 394.394 -0.650 20 0 GBADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225336 1072274723 /nfs/dbraw/zinc/27/47/23/1072274723.db2.gz YJSIUMSABIOYQM-RYUDHWBXSA-N 1 0 394.394 -0.650 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420225337 1072274546 /nfs/dbraw/zinc/27/45/46/1072274546.db2.gz YJSIUMSABIOYQM-VXGBXAGGSA-N 1 0 394.394 -0.650 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000420225368 1072274202 /nfs/dbraw/zinc/27/42/02/1072274202.db2.gz YNKWJARHRUBDBJ-LPWJVIDDSA-N 1 0 380.411 -0.037 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000420225369 1072274624 /nfs/dbraw/zinc/27/46/24/1072274624.db2.gz YNKWJARHRUBDBJ-NDBYEHHHSA-N 1 0 380.411 -0.037 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000420225370 1072274829 /nfs/dbraw/zinc/27/48/29/1072274829.db2.gz YNKWJARHRUBDBJ-VOAKCMCISA-N 1 0 380.411 -0.037 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000420225371 1072274845 /nfs/dbraw/zinc/27/48/45/1072274845.db2.gz YNKWJARHRUBDBJ-XQHKEYJVSA-N 1 0 380.411 -0.037 20 0 GBADRO O=C(NCCN1CCSCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225700 1072274567 /nfs/dbraw/zinc/27/45/67/1072274567.db2.gz YWWXUMDIFXDGPV-GFCCVEGCSA-N 1 0 397.467 -0.896 20 0 GBADRO O=C(NCCN1CCSCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225704 1072274662 /nfs/dbraw/zinc/27/46/62/1072274662.db2.gz YWWXUMDIFXDGPV-LBPRGKRZSA-N 1 0 397.467 -0.896 20 0 GBADRO COC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225994 1072274290 /nfs/dbraw/zinc/27/42/90/1072274290.db2.gz ZCFPCKYHIIAZBJ-NEPJUHHUSA-N 1 0 394.394 -0.507 20 0 GBADRO COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225995 1072274360 /nfs/dbraw/zinc/27/43/60/1072274360.db2.gz ZCFPCKYHIIAZBJ-NWDGAFQWSA-N 1 0 394.394 -0.507 20 0 GBADRO COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225996 1072274781 /nfs/dbraw/zinc/27/47/81/1072274781.db2.gz ZCFPCKYHIIAZBJ-RYUDHWBXSA-N 1 0 394.394 -0.507 20 0 GBADRO COC(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225997 1072274210 /nfs/dbraw/zinc/27/42/10/1072274210.db2.gz ZCFPCKYHIIAZBJ-VXGBXAGGSA-N 1 0 394.394 -0.507 20 0 GBADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226016 1072274299 /nfs/dbraw/zinc/27/42/99/1072274299.db2.gz ZHLFYPITGCHZKT-KBPBESRZSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226017 1072274268 /nfs/dbraw/zinc/27/42/68/1072274268.db2.gz ZHLFYPITGCHZKT-KGLIPLIRSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226018 1072274177 /nfs/dbraw/zinc/27/41/77/1072274177.db2.gz ZHLFYPITGCHZKT-UONOGXRCSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226019 1072274424 /nfs/dbraw/zinc/27/44/24/1072274424.db2.gz ZHLFYPITGCHZKT-ZIAGYGMSSA-N 1 0 393.454 -0.263 20 0 GBADRO CC(C)(O)[C@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226295 1072274859 /nfs/dbraw/zinc/27/48/59/1072274859.db2.gz ZQLKNSUGNBOQNE-NEPJUHHUSA-N 1 0 380.411 -0.299 20 0 GBADRO CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226296 1072274388 /nfs/dbraw/zinc/27/43/88/1072274388.db2.gz ZQLKNSUGNBOQNE-NWDGAFQWSA-N 1 0 380.411 -0.299 20 0 GBADRO CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226297 1072274610 /nfs/dbraw/zinc/27/46/10/1072274610.db2.gz ZQLKNSUGNBOQNE-RYUDHWBXSA-N 1 0 380.411 -0.299 20 0 GBADRO CC(C)(O)[C@H]1CCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226298 1072274773 /nfs/dbraw/zinc/27/47/73/1072274773.db2.gz ZQLKNSUGNBOQNE-VXGBXAGGSA-N 1 0 380.411 -0.299 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000420248727 1072279487 /nfs/dbraw/zinc/27/94/87/1072279487.db2.gz WWKXXGVJZHSPQC-RSUGUSAISA-N 1 0 392.460 -0.372 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000420248731 1072279316 /nfs/dbraw/zinc/27/93/16/1072279316.db2.gz WWKXXGVJZHSPQC-VVFHAYQLSA-N 1 0 392.460 -0.372 20 0 GBADRO COc1ccc([C@@H](C[NH3+])CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000420295362 1072281267 /nfs/dbraw/zinc/28/12/67/1072281267.db2.gz ACVLHPVNLAZGAZ-KRWDZBQOSA-N 1 0 398.529 -0.068 20 0 GBADRO COc1ccc([C@H](C[NH3+])CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000420295364 1072280967 /nfs/dbraw/zinc/28/09/67/1072280967.db2.gz ACVLHPVNLAZGAZ-QGZVFWFLSA-N 1 0 398.529 -0.068 20 0 GBADRO COc1ccc([C@@H](C[NH3+])CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000420320035 1072281890 /nfs/dbraw/zinc/28/18/90/1072281890.db2.gz QCXFVECBGIWPRK-KRWDZBQOSA-N 1 0 390.484 -0.260 20 0 GBADRO COc1ccc([C@H](C[NH3+])CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000420320036 1072281950 /nfs/dbraw/zinc/28/19/50/1072281950.db2.gz QCXFVECBGIWPRK-QGZVFWFLSA-N 1 0 390.484 -0.260 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC[NH2+]1 ZINC000420330262 1072282138 /nfs/dbraw/zinc/28/21/38/1072282138.db2.gz AUIWECOKLPPVLF-MAUKXSAKSA-N 1 0 388.468 -0.209 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC[NH2+]1 ZINC000420330265 1072281818 /nfs/dbraw/zinc/28/18/18/1072281818.db2.gz AUIWECOKLPPVLF-YJBOKZPZSA-N 1 0 388.468 -0.209 20 0 GBADRO C[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000420330743 1072282312 /nfs/dbraw/zinc/28/23/12/1072282312.db2.gz BPYWHYNAIDMBFC-AWEZNQCLSA-N 1 0 382.486 -0.060 20 0 GBADRO C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]1 ZINC000420330745 1072282354 /nfs/dbraw/zinc/28/23/54/1072282354.db2.gz BPYWHYNAIDMBFC-CQSZACIVSA-N 1 0 382.486 -0.060 20 0 GBADRO C[NH2+]CCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000420331812 1072304307 /nfs/dbraw/zinc/30/43/07/1072304307.db2.gz ANAVUUNRGPTRHN-UHFFFAOYSA-N 1 0 396.513 -0.127 20 0 GBADRO C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC000420332166 1072282039 /nfs/dbraw/zinc/28/20/39/1072282039.db2.gz GFFWHBZBTREIKM-AWEZNQCLSA-N 1 0 382.486 -0.060 20 0 GBADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[NH2+]1 ZINC000420332169 1072282345 /nfs/dbraw/zinc/28/23/45/1072282345.db2.gz GFFWHBZBTREIKM-CQSZACIVSA-N 1 0 382.486 -0.060 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[NH2+]1 ZINC000420336641 1072282408 /nfs/dbraw/zinc/28/24/08/1072282408.db2.gz MMVUQUCHVACZRX-CQSZACIVSA-N 1 0 384.477 -0.048 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000420337465 1072282177 /nfs/dbraw/zinc/28/21/77/1072282177.db2.gz NLTFJUFVHYSTAY-AWEZNQCLSA-N 1 0 384.477 -0.048 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000420337466 1072281916 /nfs/dbraw/zinc/28/19/16/1072281916.db2.gz NLTFJUFVHYSTAY-CQSZACIVSA-N 1 0 384.477 -0.048 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[NH2+]1 ZINC000420337656 1072282125 /nfs/dbraw/zinc/28/21/25/1072282125.db2.gz MMVUQUCHVACZRX-AWEZNQCLSA-N 1 0 384.477 -0.048 20 0 GBADRO C[NH2+]CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000420338164 1072321207 /nfs/dbraw/zinc/32/12/07/1072321207.db2.gz NIUWVMZPNBWMKP-UHFFFAOYSA-N 1 0 396.513 -0.127 20 0 GBADRO C[NH2+]CCN(C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000420340338 1072325835 /nfs/dbraw/zinc/32/58/35/1072325835.db2.gz RIYGDCUYUWYYBM-KRWDZBQOSA-N 1 0 376.457 -0.352 20 0 GBADRO C[NH2+]CCN(C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000420340339 1072326069 /nfs/dbraw/zinc/32/60/69/1072326069.db2.gz RIYGDCUYUWYYBM-QGZVFWFLSA-N 1 0 376.457 -0.352 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000420341709 1072282360 /nfs/dbraw/zinc/28/23/60/1072282360.db2.gz VLLFXENIDYQEQK-CQSZACIVSA-N 1 0 384.477 -0.048 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420341718 1072282189 /nfs/dbraw/zinc/28/21/89/1072282189.db2.gz VORNBWCBURJYDA-INIZCTEOSA-N 1 0 380.514 -0.046 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000420341719 1072282239 /nfs/dbraw/zinc/28/22/39/1072282239.db2.gz VORNBWCBURJYDA-MRXNPFEDSA-N 1 0 380.514 -0.046 20 0 GBADRO C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000420342026 1072282333 /nfs/dbraw/zinc/28/23/33/1072282333.db2.gz VLLFXENIDYQEQK-AWEZNQCLSA-N 1 0 384.477 -0.048 20 0 GBADRO COc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348681 1072282213 /nfs/dbraw/zinc/28/22/13/1072282213.db2.gz MOIAYQZORSHJNJ-AWEZNQCLSA-N 1 0 384.488 0.107 20 0 GBADRO COc1ccccc1Nc1nc(N)nc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000420348682 1072282246 /nfs/dbraw/zinc/28/22/46/1072282246.db2.gz MOIAYQZORSHJNJ-CQSZACIVSA-N 1 0 384.488 0.107 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1C ZINC000420349450 1072282267 /nfs/dbraw/zinc/28/22/67/1072282267.db2.gz CXKGMBZEBFASRY-INIZCTEOSA-N 1 0 398.529 -0.612 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC2)cc1C ZINC000420349455 1072283060 /nfs/dbraw/zinc/28/30/60/1072283060.db2.gz CXKGMBZEBFASRY-MRXNPFEDSA-N 1 0 398.529 -0.612 20 0 GBADRO CCn1c(=O)c(C(=O)CN(C)C[C@@H](O)C[NH3+])c(N)n(Cc2ccccc2)c1=O ZINC000420350639 1072282275 /nfs/dbraw/zinc/28/22/75/1072282275.db2.gz HLILFPDMNOZUQR-AWEZNQCLSA-N 1 0 389.456 -0.906 20 0 GBADRO CCn1c(=O)c(C(=O)CN(C)C[C@H](O)C[NH3+])c(N)n(Cc2ccccc2)c1=O ZINC000420350642 1072281994 /nfs/dbraw/zinc/28/19/94/1072281994.db2.gz HLILFPDMNOZUQR-CQSZACIVSA-N 1 0 389.456 -0.906 20 0 GBADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420350835 530350009 /nfs/dbraw/zinc/35/00/09/530350009.db2.gz UZMLKHGNKZXVRD-KBPBESRZSA-N 1 0 390.527 -0.092 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C[C@H]1[NH3+] ZINC000420354031 1072281792 /nfs/dbraw/zinc/28/17/92/1072281792.db2.gz BIARLSWOBSVVDJ-CZUORRHYSA-N 1 0 384.477 -0.062 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]1[NH3+] ZINC000420356469 1072282287 /nfs/dbraw/zinc/28/22/87/1072282287.db2.gz DAIJACSPEJRGOW-UKRRQHHQSA-N 1 0 384.477 -0.062 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357738 1072282010 /nfs/dbraw/zinc/28/20/10/1072282010.db2.gz SUJDKSSYJLUONT-CVEARBPZSA-N 1 0 398.529 -0.532 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420357740 1072281854 /nfs/dbraw/zinc/28/18/54/1072281854.db2.gz SUJDKSSYJLUONT-HOTGVXAUSA-N 1 0 398.529 -0.532 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357742 1072282089 /nfs/dbraw/zinc/28/20/89/1072282089.db2.gz SUJDKSSYJLUONT-HZPDHXFCSA-N 1 0 398.529 -0.532 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420357745 1072281826 /nfs/dbraw/zinc/28/18/26/1072281826.db2.gz SUJDKSSYJLUONT-JKSUJKDBSA-N 1 0 398.529 -0.532 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371331 1072282470 /nfs/dbraw/zinc/28/24/70/1072282470.db2.gz DDQDLMGWQDZKMO-AXAPSJFSSA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420371332 1072282450 /nfs/dbraw/zinc/28/24/50/1072282450.db2.gz DDQDLMGWQDZKMO-FFSVYQOJSA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371334 1072282151 /nfs/dbraw/zinc/28/21/51/1072282151.db2.gz DDQDLMGWQDZKMO-KFNAQCHYSA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420371336 1072282370 /nfs/dbraw/zinc/28/23/70/1072282370.db2.gz DDQDLMGWQDZKMO-PVXIVEMSSA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000420376463 1072283379 /nfs/dbraw/zinc/28/33/79/1072283379.db2.gz PCGICTGGIOCJRV-NVXWUHKLSA-N 1 0 380.514 -0.060 20 0 GBADRO CN(CCCNC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)S(C)(=O)=O ZINC000420382006 1072283202 /nfs/dbraw/zinc/28/32/02/1072283202.db2.gz DEGFOUKEBBCBOL-JKSUJKDBSA-N 1 0 386.493 -0.050 20 0 GBADRO Cn1c(N)c(C(=O)CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000420383667 1072283369 /nfs/dbraw/zinc/28/33/69/1072283369.db2.gz CEFUWXCOROHHGL-WCQYABFASA-N 1 0 375.404 -0.585 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000420384521 1072283348 /nfs/dbraw/zinc/28/33/48/1072283348.db2.gz TZZZRHLMWKUFCD-CZUORRHYSA-N 1 0 384.477 -0.062 20 0 GBADRO C[NH2+]CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000420386333 1072283440 /nfs/dbraw/zinc/28/34/40/1072283440.db2.gz IDMCPRVEMUQLKA-UHFFFAOYSA-N 1 0 387.506 -0.334 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420387337 1072283263 /nfs/dbraw/zinc/28/32/63/1072283263.db2.gz KDRZDAYQVCICBB-SCDSUCTJSA-N 1 0 389.431 -0.197 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420387342 1072283401 /nfs/dbraw/zinc/28/34/01/1072283401.db2.gz KDRZDAYQVCICBB-VHRBIJSZSA-N 1 0 389.431 -0.197 20 0 GBADRO CN(CCCNC(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)S(C)(=O)=O ZINC000420387620 1072283151 /nfs/dbraw/zinc/28/31/51/1072283151.db2.gz KMMAWECAYDXUOC-GOEBONIOSA-N 1 0 386.493 -0.050 20 0 GBADRO C[NH2+]CCCN(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000420387646 1072283043 /nfs/dbraw/zinc/28/30/43/1072283043.db2.gz KRCQFNYZCSTGMD-UHFFFAOYSA-N 1 0 398.529 -0.135 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)CC[NH3+])CC2)c1 ZINC000420388144 1072283394 /nfs/dbraw/zinc/28/33/94/1072283394.db2.gz WVOMKIQWIJSNAI-UHFFFAOYSA-N 1 0 382.486 -0.387 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CC[NH3+])CC2)cc1 ZINC000420388223 1072283189 /nfs/dbraw/zinc/28/31/89/1072283189.db2.gz XACSYKSGBVVQBQ-UHFFFAOYSA-N 1 0 382.486 -0.387 20 0 GBADRO Cn1c(N)c(C(=O)CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000420389013 1072283386 /nfs/dbraw/zinc/28/33/86/1072283386.db2.gz LUSGIQLIVVALMT-QWHCGFSZSA-N 1 0 375.404 -0.585 20 0 GBADRO C[NH2+]CCCN(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420389478 1072282833 /nfs/dbraw/zinc/28/28/33/1072282833.db2.gz OFMHQZWLGWNVNM-UHFFFAOYSA-N 1 0 398.529 -0.135 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420393746 1072283429 /nfs/dbraw/zinc/28/34/29/1072283429.db2.gz QYAOLXYFFCQORH-DDTOSNHZSA-N 1 0 389.431 -0.197 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420393747 1072282940 /nfs/dbraw/zinc/28/29/40/1072282940.db2.gz QYAOLXYFFCQORH-LEWSCRJBSA-N 1 0 389.431 -0.197 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420449851 1072284644 /nfs/dbraw/zinc/28/46/44/1072284644.db2.gz GLUXNFHETNHXFO-CYBMUJFWSA-N 1 0 381.454 -0.029 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420449853 1072283821 /nfs/dbraw/zinc/28/38/21/1072283821.db2.gz GLUXNFHETNHXFO-ZDUSSCGKSA-N 1 0 381.454 -0.029 20 0 GBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420464240 1072284062 /nfs/dbraw/zinc/28/40/62/1072284062.db2.gz XHQSQHOWGQDAAK-GFCCVEGCSA-N 1 0 386.426 -0.083 20 0 GBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420464241 1072283941 /nfs/dbraw/zinc/28/39/41/1072283941.db2.gz XHQSQHOWGQDAAK-LBPRGKRZSA-N 1 0 386.426 -0.083 20 0 GBADRO COCCN(CCOC)S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000420464874 530350082 /nfs/dbraw/zinc/35/00/82/530350082.db2.gz UTOFIDKXHFLMKM-UHFFFAOYSA-N 1 0 378.539 -0.368 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420466296 1072284336 /nfs/dbraw/zinc/28/43/36/1072284336.db2.gz ZXLDUSLZGQLIAF-CYBMUJFWSA-N 1 0 386.426 -0.083 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420466299 1072284142 /nfs/dbraw/zinc/28/41/42/1072284142.db2.gz ZXLDUSLZGQLIAF-ZDUSSCGKSA-N 1 0 386.426 -0.083 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420466725 530350064 /nfs/dbraw/zinc/35/00/64/530350064.db2.gz BEAXZSPUGGYLLG-GXTWGEPZSA-N 1 0 379.479 -0.179 20 0 GBADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000420467500 1072283963 /nfs/dbraw/zinc/28/39/63/1072283963.db2.gz CZWCRKDLYXVQIE-INIZCTEOSA-N 1 0 384.458 -0.020 20 0 GBADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000420467501 1072284541 /nfs/dbraw/zinc/28/45/41/1072284541.db2.gz CZWCRKDLYXVQIE-MRXNPFEDSA-N 1 0 384.458 -0.020 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420468137 530349986 /nfs/dbraw/zinc/34/99/86/530349986.db2.gz ZHAALLFYDJJDRW-LSDHHAIUSA-N 1 0 375.516 -0.057 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000420468906 1072284158 /nfs/dbraw/zinc/28/41/58/1072284158.db2.gz HXBUMPMIWYZEJC-CYBMUJFWSA-N 1 0 386.426 -0.002 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420468908 1072284092 /nfs/dbraw/zinc/28/40/92/1072284092.db2.gz HXBUMPMIWYZEJC-ZDUSSCGKSA-N 1 0 386.426 -0.002 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420469857 530350213 /nfs/dbraw/zinc/35/02/13/530350213.db2.gz KTJBKEUKWHHZPV-UONOGXRCSA-N 1 0 379.479 -0.179 20 0 GBADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000420471746 530350284 /nfs/dbraw/zinc/35/02/84/530350284.db2.gz QJLLPAKPXJWXKW-UHFFFAOYSA-N 1 0 391.515 -0.063 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000420475118 530350135 /nfs/dbraw/zinc/35/01/35/530350135.db2.gz ZYYFWAKMTXLEAX-UHFFFAOYSA-N 1 0 377.488 -0.405 20 0 GBADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420476522 530350092 /nfs/dbraw/zinc/35/00/92/530350092.db2.gz IKFGPBXLUOYREC-JTQLQIEISA-N 1 0 378.248 -0.185 20 0 GBADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420476524 530350262 /nfs/dbraw/zinc/35/02/62/530350262.db2.gz IKFGPBXLUOYREC-SNVBAGLBSA-N 1 0 378.248 -0.185 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000420478407 530350019 /nfs/dbraw/zinc/35/00/19/530350019.db2.gz KYADIPYINIJFDC-CYBMUJFWSA-N 1 0 391.515 -0.016 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000420478408 530350104 /nfs/dbraw/zinc/35/01/04/530350104.db2.gz KYADIPYINIJFDC-ZDUSSCGKSA-N 1 0 391.515 -0.016 20 0 GBADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420483395 530349922 /nfs/dbraw/zinc/34/99/22/530349922.db2.gz WFGXYTHNARRKTI-CYBMUJFWSA-N 1 0 391.515 -0.016 20 0 GBADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420483396 530350706 /nfs/dbraw/zinc/35/07/06/530350706.db2.gz WFGXYTHNARRKTI-ZDUSSCGKSA-N 1 0 391.515 -0.016 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)[NH+]2CCCC2)cc1 ZINC000420724331 1072298857 /nfs/dbraw/zinc/29/88/57/1072298857.db2.gz KVVHKLCMGUEHCI-BPQIPLTHSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000420724335 1072298750 /nfs/dbraw/zinc/29/87/50/1072298750.db2.gz KVVHKLCMGUEHCI-NJAFHUGGSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000420724339 1072298698 /nfs/dbraw/zinc/29/86/98/1072298698.db2.gz KVVHKLCMGUEHCI-RYQLBKOJSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000420724342 1072298466 /nfs/dbraw/zinc/29/84/66/1072298466.db2.gz KVVHKLCMGUEHCI-SZMVWBNQSA-N 1 0 391.468 -0.240 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000420793298 1072300578 /nfs/dbraw/zinc/30/05/78/1072300578.db2.gz IXOSNPJNBYOVDL-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CCCC1 ZINC000420798507 1072300816 /nfs/dbraw/zinc/30/08/16/1072300816.db2.gz MTFXPUHTENYGCY-UHFFFAOYSA-N 1 0 396.532 -0.025 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000420801106 1072300842 /nfs/dbraw/zinc/30/08/42/1072300842.db2.gz QFEZVECUMHWXJV-UHFFFAOYSA-N 1 0 384.521 -0.219 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)[NH+]1CCCC1 ZINC000420828260 1072301716 /nfs/dbraw/zinc/30/17/16/1072301716.db2.gz UEBCWTBIJDQPIQ-BHYGNILZSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)[NH+]1CCCC1 ZINC000420828261 1072301185 /nfs/dbraw/zinc/30/11/85/1072301185.db2.gz UEBCWTBIJDQPIQ-HYVNUMGLSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)[NH+]1CCCC1 ZINC000420828262 1072301295 /nfs/dbraw/zinc/30/12/95/1072301295.db2.gz UEBCWTBIJDQPIQ-PVAVHDDUSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)[NH+]1CCCC1 ZINC000420828263 1072301678 /nfs/dbraw/zinc/30/16/78/1072301678.db2.gz UEBCWTBIJDQPIQ-XIRDDKMYSA-N 1 0 391.468 -0.240 20 0 GBADRO Cc1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(C)n1 ZINC000420851392 1072301457 /nfs/dbraw/zinc/30/14/57/1072301457.db2.gz QWXGZLLVDYRGCG-UHFFFAOYSA-N 1 0 389.456 -0.089 20 0 GBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC000420856835 1072302393 /nfs/dbraw/zinc/30/23/93/1072302393.db2.gz GGZRSNTWKZNDGX-KRWDZBQOSA-N 1 0 387.484 -0.827 20 0 GBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC000420856836 1072302194 /nfs/dbraw/zinc/30/21/94/1072302194.db2.gz GGZRSNTWKZNDGX-QGZVFWFLSA-N 1 0 387.484 -0.827 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 ZINC000420900469 1072304053 /nfs/dbraw/zinc/30/40/53/1072304053.db2.gz IYBYVGWGDXQGSP-KBPBESRZSA-N 1 0 376.448 -0.085 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 ZINC000420900473 1072303904 /nfs/dbraw/zinc/30/39/04/1072303904.db2.gz IYBYVGWGDXQGSP-KGLIPLIRSA-N 1 0 376.448 -0.085 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 ZINC000420900474 1072304020 /nfs/dbraw/zinc/30/40/20/1072304020.db2.gz IYBYVGWGDXQGSP-UONOGXRCSA-N 1 0 376.448 -0.085 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 ZINC000420900475 1072303938 /nfs/dbraw/zinc/30/39/38/1072303938.db2.gz IYBYVGWGDXQGSP-ZIAGYGMSSA-N 1 0 376.448 -0.085 20 0 GBADRO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000420902752 1072303778 /nfs/dbraw/zinc/30/37/78/1072303778.db2.gz NHLBAKHBMHMBLT-CVEARBPZSA-N 1 0 382.505 -0.166 20 0 GBADRO CCCN1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000420902761 1072303858 /nfs/dbraw/zinc/30/38/58/1072303858.db2.gz NHLBAKHBMHMBLT-HOTGVXAUSA-N 1 0 382.505 -0.166 20 0 GBADRO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000420902764 1072304106 /nfs/dbraw/zinc/30/41/06/1072304106.db2.gz NHLBAKHBMHMBLT-HZPDHXFCSA-N 1 0 382.505 -0.166 20 0 GBADRO CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000420902767 1072304074 /nfs/dbraw/zinc/30/40/74/1072304074.db2.gz NHLBAKHBMHMBLT-JKSUJKDBSA-N 1 0 382.505 -0.166 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)[NH+]2CCCC2)c1 ZINC000420914934 1072304999 /nfs/dbraw/zinc/30/49/99/1072304999.db2.gz ZPRBJCXUNBUHJN-BPQIPLTHSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)[NH+]2CCCC2)c1 ZINC000420914935 1072304528 /nfs/dbraw/zinc/30/45/28/1072304528.db2.gz ZPRBJCXUNBUHJN-NJAFHUGGSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)[NH+]2CCCC2)c1 ZINC000420914936 1072305064 /nfs/dbraw/zinc/30/50/64/1072305064.db2.gz ZPRBJCXUNBUHJN-RYQLBKOJSA-N 1 0 391.468 -0.240 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)[NH+]2CCCC2)c1 ZINC000420914937 1072305213 /nfs/dbraw/zinc/30/52/13/1072305213.db2.gz ZPRBJCXUNBUHJN-SZMVWBNQSA-N 1 0 391.468 -0.240 20 0 GBADRO CC1(C)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](CO)O1 ZINC000420931089 1072304713 /nfs/dbraw/zinc/30/47/13/1072304713.db2.gz FXGFJVHNCSMLER-HNNXBMFYSA-N 1 0 399.513 -0.146 20 0 GBADRO CC1(C)C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](CO)O1 ZINC000420931092 1072304643 /nfs/dbraw/zinc/30/46/43/1072304643.db2.gz FXGFJVHNCSMLER-OAHLLOKOSA-N 1 0 399.513 -0.146 20 0 GBADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000420971277 1072305782 /nfs/dbraw/zinc/30/57/82/1072305782.db2.gz HUSCPRCHBMYTLL-UHFFFAOYSA-N 1 0 396.532 -0.024 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000420971496 1072306030 /nfs/dbraw/zinc/30/60/30/1072306030.db2.gz IBNATIFTOHRLRW-UHFFFAOYSA-N 1 0 384.521 -0.216 20 0 GBADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420971825 1072305805 /nfs/dbraw/zinc/30/58/05/1072305805.db2.gz IPJOPJZQZZLMAE-HNNXBMFYSA-N 1 0 394.497 -0.413 20 0 GBADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420971826 1072306138 /nfs/dbraw/zinc/30/61/38/1072306138.db2.gz IPJOPJZQZZLMAE-OAHLLOKOSA-N 1 0 394.497 -0.413 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)NCCCOCC2CC2)(N2CCOCC2)CC1 ZINC000420985498 1072305625 /nfs/dbraw/zinc/30/56/25/1072305625.db2.gz WAVWSNAOFBLOPS-UHFFFAOYSA-N 1 0 396.532 -0.168 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1C(C)C ZINC000421186169 1072320018 /nfs/dbraw/zinc/32/00/18/1072320018.db2.gz RVHQHEWWSPKIQQ-UHFFFAOYSA-N 1 0 390.488 0.478 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1C(C)C ZINC000421198844 1072320516 /nfs/dbraw/zinc/32/05/16/1072320516.db2.gz DDDNFYBQFRUDHL-HNNXBMFYSA-N 1 0 390.488 0.476 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C(C)C ZINC000421198847 1072321193 /nfs/dbraw/zinc/32/11/93/1072321193.db2.gz DDDNFYBQFRUDHL-OAHLLOKOSA-N 1 0 390.488 0.476 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000421237181 1072320667 /nfs/dbraw/zinc/32/06/67/1072320667.db2.gz BKVWSHUMZRKCER-CVEARBPZSA-N 1 0 384.521 -0.627 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000421237185 1072320954 /nfs/dbraw/zinc/32/09/54/1072320954.db2.gz BKVWSHUMZRKCER-HOTGVXAUSA-N 1 0 384.521 -0.627 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000421237187 1072321225 /nfs/dbraw/zinc/32/12/25/1072321225.db2.gz BKVWSHUMZRKCER-HZPDHXFCSA-N 1 0 384.521 -0.627 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000421237189 1072320698 /nfs/dbraw/zinc/32/06/98/1072320698.db2.gz BKVWSHUMZRKCER-JKSUJKDBSA-N 1 0 384.521 -0.627 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)N1CC[NH+](C)CC1 ZINC000421252567 1072321524 /nfs/dbraw/zinc/32/15/24/1072321524.db2.gz UIBHDCYQJLERNU-CABCVRRESA-N 1 0 389.491 -0.170 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)N1CC[NH+](C)CC1 ZINC000421252568 1072321670 /nfs/dbraw/zinc/32/16/70/1072321670.db2.gz UIBHDCYQJLERNU-GJZGRUSLSA-N 1 0 389.491 -0.170 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)N1CC[NH+](C)CC1 ZINC000421252569 1072321610 /nfs/dbraw/zinc/32/16/10/1072321610.db2.gz UIBHDCYQJLERNU-HUUCEWRRSA-N 1 0 389.491 -0.170 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)N1CC[NH+](C)CC1 ZINC000421252570 1072321583 /nfs/dbraw/zinc/32/15/83/1072321583.db2.gz UIBHDCYQJLERNU-LSDHHAIUSA-N 1 0 389.491 -0.170 20 0 GBADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000421287095 1072323623 /nfs/dbraw/zinc/32/36/23/1072323623.db2.gz HZFXJKXWARAIIQ-AWEZNQCLSA-N 1 0 382.486 -0.366 20 0 GBADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000421287096 1072323740 /nfs/dbraw/zinc/32/37/40/1072323740.db2.gz HZFXJKXWARAIIQ-CQSZACIVSA-N 1 0 382.486 -0.366 20 0 GBADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000421288749 1072324950 /nfs/dbraw/zinc/32/49/50/1072324950.db2.gz NOQRRQJCFGRBCX-HNNXBMFYSA-N 1 0 396.513 -0.071 20 0 GBADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000421288750 1072324819 /nfs/dbraw/zinc/32/48/19/1072324819.db2.gz NOQRRQJCFGRBCX-OAHLLOKOSA-N 1 0 396.513 -0.071 20 0 GBADRO CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421307234 1072323363 /nfs/dbraw/zinc/32/33/63/1072323363.db2.gz OROBDYFYDUWGMI-GOSISDBHSA-N 1 0 392.500 -0.037 20 0 GBADRO CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421307237 1072324741 /nfs/dbraw/zinc/32/47/41/1072324741.db2.gz OROBDYFYDUWGMI-SFHVURJKSA-N 1 0 392.500 -0.037 20 0 GBADRO C[C@@H](O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000421398544 1072328706 /nfs/dbraw/zinc/32/87/06/1072328706.db2.gz GHYWZPPADUUGNM-PBHICJAKSA-N 1 0 379.457 -0.149 20 0 GBADRO C[C@@H](O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000421398545 1072328622 /nfs/dbraw/zinc/32/86/22/1072328622.db2.gz GHYWZPPADUUGNM-RHSMWYFYSA-N 1 0 379.457 -0.149 20 0 GBADRO C[C@H](O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000421398546 1072328193 /nfs/dbraw/zinc/32/81/93/1072328193.db2.gz GHYWZPPADUUGNM-WMLDXEAASA-N 1 0 379.457 -0.149 20 0 GBADRO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000421398547 1072328673 /nfs/dbraw/zinc/32/86/73/1072328673.db2.gz GHYWZPPADUUGNM-YOEHRIQHSA-N 1 0 379.457 -0.149 20 0 GBADRO CC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000421399631 1072328018 /nfs/dbraw/zinc/32/80/18/1072328018.db2.gz IVWWRLLMSXGYCZ-INIZCTEOSA-N 1 0 376.457 -0.020 20 0 GBADRO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000421399632 1072328361 /nfs/dbraw/zinc/32/83/61/1072328361.db2.gz IVWWRLLMSXGYCZ-MRXNPFEDSA-N 1 0 376.457 -0.020 20 0 GBADRO COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000421402302 1072327098 /nfs/dbraw/zinc/32/70/98/1072327098.db2.gz MKTSIDDTWGCULR-IBGZPJMESA-N 1 0 382.505 -0.070 20 0 GBADRO COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000421402303 1072327751 /nfs/dbraw/zinc/32/77/51/1072327751.db2.gz MKTSIDDTWGCULR-LJQANCHMSA-N 1 0 382.505 -0.070 20 0 GBADRO CC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000421402650 1072327447 /nfs/dbraw/zinc/32/74/47/1072327447.db2.gz CYFQQZIRFFOPAK-INIZCTEOSA-N 1 0 376.457 -0.020 20 0 GBADRO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000421402651 1072327731 /nfs/dbraw/zinc/32/77/31/1072327731.db2.gz CYFQQZIRFFOPAK-MRXNPFEDSA-N 1 0 376.457 -0.020 20 0 GBADRO CNC(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000421403133 1072327460 /nfs/dbraw/zinc/32/74/60/1072327460.db2.gz DMQSEVFYYRGIGV-HNNXBMFYSA-N 1 0 376.457 -0.162 20 0 GBADRO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000421403134 1072327375 /nfs/dbraw/zinc/32/73/75/1072327375.db2.gz DMQSEVFYYRGIGV-OAHLLOKOSA-N 1 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C[C@H](O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000421412171 1072329221 /nfs/dbraw/zinc/32/92/21/1072329221.db2.gz ZULIEFCTEGVQLM-YOEHRIQHSA-N 1 0 379.457 -0.149 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000421423818 1072328640 /nfs/dbraw/zinc/32/86/40/1072328640.db2.gz AYAZVBRJEBRSLH-DLBZAZTESA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000421423828 1072328455 /nfs/dbraw/zinc/32/84/55/1072328455.db2.gz AYAZVBRJEBRSLH-IAGOWNOFSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000421423833 1072328103 /nfs/dbraw/zinc/32/81/03/1072328103.db2.gz AYAZVBRJEBRSLH-IRXDYDNUSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000421423836 1072328535 /nfs/dbraw/zinc/32/85/35/1072328535.db2.gz AYAZVBRJEBRSLH-SJORKVTESA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000421426328 1072328345 /nfs/dbraw/zinc/32/83/45/1072328345.db2.gz DSQGAEYVTIRDCY-AEFFLSMTSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000421426330 1072328296 /nfs/dbraw/zinc/32/82/96/1072328296.db2.gz DSQGAEYVTIRDCY-FUHWJXTLSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)cc1 ZINC000421426332 1072328137 /nfs/dbraw/zinc/32/81/37/1072328137.db2.gz DSQGAEYVTIRDCY-SJLPKXTDSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)cc1 ZINC000421426334 1072328277 /nfs/dbraw/zinc/32/82/77/1072328277.db2.gz DSQGAEYVTIRDCY-WMZOPIPTSA-N 1 0 393.484 -0.165 20 0 GBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)Cc1ccccc1 ZINC000421491600 1072329436 /nfs/dbraw/zinc/32/94/36/1072329436.db2.gz PSSUVRWHFPNIIM-BZSNNMDCSA-N 1 0 377.485 -0.133 20 0 GBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)Cc1ccccc1 ZINC000421491601 1072329209 /nfs/dbraw/zinc/32/92/09/1072329209.db2.gz PSSUVRWHFPNIIM-FGTMMUONSA-N 1 0 377.485 -0.133 20 0 GBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)Cc1ccccc1 ZINC000421491602 1072329765 /nfs/dbraw/zinc/32/97/65/1072329765.db2.gz PSSUVRWHFPNIIM-OKZBNKHCSA-N 1 0 377.485 -0.133 20 0 GBADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)Cc1ccccc1 ZINC000421491603 1072330962 /nfs/dbraw/zinc/33/09/62/1072330962.db2.gz PSSUVRWHFPNIIM-SQNIBIBYSA-N 1 0 377.485 -0.133 20 0 GBADRO CC1CC[NH+](CCNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000421509263 1072330219 /nfs/dbraw/zinc/33/02/19/1072330219.db2.gz GJTBLVAIYGGQKW-UHFFFAOYSA-N 1 0 396.532 -0.168 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000421525767 1072331552 /nfs/dbraw/zinc/33/15/52/1072331552.db2.gz NECNQSLPNLLFLM-DLBZAZTESA-N 1 0 375.469 -0.249 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000421525768 1072331820 /nfs/dbraw/zinc/33/18/20/1072331820.db2.gz NECNQSLPNLLFLM-IAGOWNOFSA-N 1 0 375.469 -0.249 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000421525769 1072331778 /nfs/dbraw/zinc/33/17/78/1072331778.db2.gz NECNQSLPNLLFLM-IRXDYDNUSA-N 1 0 375.469 -0.249 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)[N@@H+]1CCc2ccccc2C1 ZINC000421525770 1072331439 /nfs/dbraw/zinc/33/14/39/1072331439.db2.gz NECNQSLPNLLFLM-SJORKVTESA-N 1 0 375.469 -0.249 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000421526888 1072331717 /nfs/dbraw/zinc/33/17/17/1072331717.db2.gz XPBLQNPMOSJGHZ-UHFFFAOYSA-N 1 0 384.521 -0.360 20 0 GBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000421544533 1072332238 /nfs/dbraw/zinc/33/22/38/1072332238.db2.gz GIXHEFOFCSHAML-KRWDZBQOSA-N 1 0 396.532 -0.025 20 0 GBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000421544535 1072332086 /nfs/dbraw/zinc/33/20/86/1072332086.db2.gz GIXHEFOFCSHAML-QGZVFWFLSA-N 1 0 396.532 -0.025 20 0 GBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000421551817 1072332818 /nfs/dbraw/zinc/33/28/18/1072332818.db2.gz ALWDBLMQKAKEOP-SJLPKXTDSA-N 1 0 390.484 -0.874 20 0 GBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000421551822 1072333274 /nfs/dbraw/zinc/33/32/74/1072333274.db2.gz ALWDBLMQKAKEOP-WMZOPIPTSA-N 1 0 390.484 -0.874 20 0 GBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC000421558294 1072332985 /nfs/dbraw/zinc/33/29/85/1072332985.db2.gz MQWNQECNVOPJME-INIZCTEOSA-N 1 0 387.484 -0.433 20 0 GBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC000421558295 1072333093 /nfs/dbraw/zinc/33/30/93/1072333093.db2.gz MQWNQECNVOPJME-MRXNPFEDSA-N 1 0 387.484 -0.433 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000421566178 1072334048 /nfs/dbraw/zinc/33/40/48/1072334048.db2.gz WJDKZDKAIGFUAH-MRXNPFEDSA-N 1 0 384.521 -0.217 20 0 GBADRO COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000421642312 1072336400 /nfs/dbraw/zinc/33/64/00/1072336400.db2.gz YJLUPQVULQGUAD-AWEZNQCLSA-N 1 0 387.502 -0.420 20 0 GBADRO COC(=O)[C@H]1CSCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000421642313 1072335997 /nfs/dbraw/zinc/33/59/97/1072335997.db2.gz YJLUPQVULQGUAD-CQSZACIVSA-N 1 0 387.502 -0.420 20 0 GBADRO CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000421691186 1072337247 /nfs/dbraw/zinc/33/72/47/1072337247.db2.gz WQIUCDSPYCPAGP-DLBZAZTESA-N 1 0 396.532 -0.027 20 0 GBADRO CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000421691187 1072337024 /nfs/dbraw/zinc/33/70/24/1072337024.db2.gz WQIUCDSPYCPAGP-IAGOWNOFSA-N 1 0 396.532 -0.027 20 0 GBADRO CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000421691188 1072337539 /nfs/dbraw/zinc/33/75/39/1072337539.db2.gz WQIUCDSPYCPAGP-IRXDYDNUSA-N 1 0 396.532 -0.027 20 0 GBADRO CO[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000421691189 1072337183 /nfs/dbraw/zinc/33/71/83/1072337183.db2.gz 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CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ncccc2OC)CC1 ZINC000422449409 1072450200 /nfs/dbraw/zinc/45/02/00/1072450200.db2.gz FFFNIDCMYHBOLB-UHFFFAOYSA-N 1 0 391.472 -0.281 20 0 GBADRO COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000422449858 1072450320 /nfs/dbraw/zinc/45/03/20/1072450320.db2.gz HMEVNYVFNLDJEC-UHFFFAOYSA-N 1 0 389.456 -0.527 20 0 GBADRO COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422450059 1072451222 /nfs/dbraw/zinc/45/12/22/1072451222.db2.gz HVDPUTGNTHGGHO-HNNXBMFYSA-N 1 0 389.456 -0.529 20 0 GBADRO COc1cccnc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000422450062 1072451183 /nfs/dbraw/zinc/45/11/83/1072451183.db2.gz HVDPUTGNTHGGHO-OAHLLOKOSA-N 1 0 389.456 -0.529 20 0 GBADRO C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000422450432 1072451277 /nfs/dbraw/zinc/45/12/77/1072451277.db2.gz BSJIBGPQYNGKQF-INIZCTEOSA-N 1 0 380.489 -0.173 20 0 GBADRO C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000422450433 1072451321 /nfs/dbraw/zinc/45/13/21/1072451321.db2.gz BSJIBGPQYNGKQF-MRXNPFEDSA-N 1 0 380.489 -0.173 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NCCCC[N@H+](C)C3CC3)CC2=O)cn1 ZINC000422450811 1072451367 /nfs/dbraw/zinc/45/13/67/1072451367.db2.gz CMHHYGCVWDGUBF-UHFFFAOYSA-N 1 0 376.461 -0.414 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422451237 1072451483 /nfs/dbraw/zinc/45/14/83/1072451483.db2.gz CVTZEUOCCGINIZ-UHFFFAOYSA-N 1 0 381.521 -0.354 20 0 GBADRO Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1 ZINC000422451392 1072451159 /nfs/dbraw/zinc/45/11/59/1072451159.db2.gz DIUYCTHHIPFAGU-UHFFFAOYSA-N 1 0 387.484 -0.185 20 0 GBADRO C[N@H+](CCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC1 ZINC000422455731 1072454070 /nfs/dbraw/zinc/45/40/70/1072454070.db2.gz OVKAIBZGDKLILR-UHFFFAOYSA-N 1 0 393.532 -0.256 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422457504 1072453724 /nfs/dbraw/zinc/45/37/24/1072453724.db2.gz SRBZCLJEHPBMMQ-HNNXBMFYSA-N 1 0 393.532 -0.212 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000422457505 1072454139 /nfs/dbraw/zinc/45/41/39/1072454139.db2.gz SRBZCLJEHPBMMQ-OAHLLOKOSA-N 1 0 393.532 -0.212 20 0 GBADRO Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000422461765 1072454125 /nfs/dbraw/zinc/45/41/25/1072454125.db2.gz DZPZSSXZJXQTPA-KRWDZBQOSA-N 1 0 387.484 -0.186 20 0 GBADRO Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000422461766 1072454692 /nfs/dbraw/zinc/45/46/92/1072454692.db2.gz DZPZSSXZJXQTPA-QGZVFWFLSA-N 1 0 387.484 -0.186 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)CC1 ZINC000422464034 1072454746 /nfs/dbraw/zinc/45/47/46/1072454746.db2.gz LLCPVFBJVUQHCT-UHFFFAOYSA-N 1 0 390.488 -0.544 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000422468843 1072452319 /nfs/dbraw/zinc/45/23/19/1072452319.db2.gz BQUJQDKFNSWWOC-UHFFFAOYSA-N 1 0 384.521 -0.168 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1)N1CCCC1 ZINC000422469829 1072452246 /nfs/dbraw/zinc/45/22/46/1072452246.db2.gz FBRQVKYWWBMGEH-UHFFFAOYSA-N 1 0 398.467 -0.283 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000422471228 1072453014 /nfs/dbraw/zinc/45/30/14/1072453014.db2.gz IOSXUYXMGNQGCO-UHFFFAOYSA-N 1 0 396.532 -0.073 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1)C(C)C ZINC000422471405 1072453107 /nfs/dbraw/zinc/45/31/07/1072453107.db2.gz JGGMJBJCJXDYEE-UHFFFAOYSA-N 1 0 384.521 -0.170 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422471727 1072453366 /nfs/dbraw/zinc/45/33/66/1072453366.db2.gz KEXVMOSHBHFFQF-HNNXBMFYSA-N 1 0 393.469 -0.121 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000422471729 1072453162 /nfs/dbraw/zinc/45/31/62/1072453162.db2.gz KEXVMOSHBHFFQF-OAHLLOKOSA-N 1 0 393.469 -0.121 20 0 GBADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000422472024 1072453004 /nfs/dbraw/zinc/45/30/04/1072453004.db2.gz KXAJZURTZOADPY-INIZCTEOSA-N 1 0 385.424 -0.200 20 0 GBADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000422472025 1072453091 /nfs/dbraw/zinc/45/30/91/1072453091.db2.gz KXAJZURTZOADPY-MRXNPFEDSA-N 1 0 385.424 -0.200 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422473120 1072453019 /nfs/dbraw/zinc/45/30/19/1072453019.db2.gz NHMPEQWDJSRMLF-AWEZNQCLSA-N 1 0 379.442 -0.509 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422473122 1072453342 /nfs/dbraw/zinc/45/33/42/1072453342.db2.gz NHMPEQWDJSRMLF-CQSZACIVSA-N 1 0 379.442 -0.509 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422473791 1072453325 /nfs/dbraw/zinc/45/33/25/1072453325.db2.gz OJLKNPVTTGAGPN-UHFFFAOYSA-N 1 0 386.456 -0.381 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422475420 1072454104 /nfs/dbraw/zinc/45/41/04/1072454104.db2.gz SBSDDROKKVQUFU-AWEZNQCLSA-N 1 0 398.467 -0.238 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422475421 1072454006 /nfs/dbraw/zinc/45/40/06/1072454006.db2.gz SBSDDROKKVQUFU-CQSZACIVSA-N 1 0 398.467 -0.238 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422476172 1072453821 /nfs/dbraw/zinc/45/38/21/1072453821.db2.gz UOJXXAMQWZKVIK-UHFFFAOYSA-N 1 0 386.456 -0.427 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422476565 1072453990 /nfs/dbraw/zinc/45/39/90/1072453990.db2.gz VSOGGRADNOWIIS-UHFFFAOYSA-N 1 0 389.456 -0.244 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1)NC1CC1 ZINC000422476572 1072453801 /nfs/dbraw/zinc/45/38/01/1072453801.db2.gz VUFXKLXXUMUNCH-UHFFFAOYSA-N 1 0 384.440 -0.627 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC2=O)cn1 ZINC000422476605 1072453774 /nfs/dbraw/zinc/45/37/74/1072453774.db2.gz WABZVMQRNASETA-UHFFFAOYSA-N 1 0 381.396 -0.441 20 0 GBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000422476626 1072453997 /nfs/dbraw/zinc/45/39/97/1072453997.db2.gz WCSBXEJUSJBJGY-KRWDZBQOSA-N 1 0 396.532 -0.073 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000422476627 1072453981 /nfs/dbraw/zinc/45/39/81/1072453981.db2.gz WCSBXEJUSJBJGY-QGZVFWFLSA-N 1 0 396.532 -0.073 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422477843 1072454017 /nfs/dbraw/zinc/45/40/17/1072454017.db2.gz YZGZRBADCNHVQW-UHFFFAOYSA-N 1 0 379.442 -0.556 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccn(C)n2)CC1 ZINC000422484060 1072457297 /nfs/dbraw/zinc/45/72/97/1072457297.db2.gz BRJXFTYCAVJCSI-AWEZNQCLSA-N 1 0 378.477 -0.390 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccn(C)n2)CC1 ZINC000422484061 1072457229 /nfs/dbraw/zinc/45/72/29/1072457229.db2.gz BRJXFTYCAVJCSI-CQSZACIVSA-N 1 0 378.477 -0.390 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)C[C@H]1COCC2 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CC[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000422502083 1072462162 /nfs/dbraw/zinc/46/21/62/1072462162.db2.gz IZQVXLNRNUALSL-IRXDYDNUSA-N 1 0 396.532 -0.075 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000422502084 1072462418 /nfs/dbraw/zinc/46/24/18/1072462418.db2.gz IZQVXLNRNUALSL-SJORKVTESA-N 1 0 396.532 -0.075 20 0 GBADRO CC[C@H]1COCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503178 1072457920 /nfs/dbraw/zinc/45/79/20/1072457920.db2.gz MHEYOJJGLNQFCV-INIZCTEOSA-N 1 0 382.505 -0.463 20 0 GBADRO CC[C@@H]1COCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503179 1072458210 /nfs/dbraw/zinc/45/82/10/1072458210.db2.gz MHEYOJJGLNQFCV-MRXNPFEDSA-N 1 0 382.505 -0.463 20 0 GBADRO CCCCN(CCCO)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503230 1072458182 /nfs/dbraw/zinc/45/81/82/1072458182.db2.gz MPRQOEIFDKUVFB-UHFFFAOYSA-N 1 0 398.548 -0.090 20 0 GBADRO CCOCCN(CC)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503231 1072457974 /nfs/dbraw/zinc/45/79/74/1072457974.db2.gz MPUYXQSBANEQTJ-UHFFFAOYSA-N 1 0 384.521 -0.216 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCOC[C@H]2C2CC2)(N2CCOCC2)CC1 ZINC000422503345 1072458306 /nfs/dbraw/zinc/45/83/06/1072458306.db2.gz NAMDZKLRMJBDFY-KRWDZBQOSA-N 1 0 394.516 -0.463 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)(N2CCOCC2)CC1 ZINC000422503347 1072458048 /nfs/dbraw/zinc/45/80/48/1072458048.db2.gz NAMDZKLRMJBDFY-QGZVFWFLSA-N 1 0 394.516 -0.463 20 0 GBADRO CC[C@@]1(CO)CCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503733 1072462156 /nfs/dbraw/zinc/46/21/56/1072462156.db2.gz NYOHNIWBDBRLHJ-IBGZPJMESA-N 1 0 396.532 -0.337 20 0 GBADRO CC[C@]1(CO)CCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503734 1072462146 /nfs/dbraw/zinc/46/21/46/1072462146.db2.gz NYOHNIWBDBRLHJ-LJQANCHMSA-N 1 0 396.532 -0.337 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000422504039 1072458229 /nfs/dbraw/zinc/45/82/29/1072458229.db2.gz OZWVASJJXGKZEQ-INIZCTEOSA-N 1 0 382.505 -0.463 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000422504040 1072458121 /nfs/dbraw/zinc/45/81/21/1072458121.db2.gz OZWVASJJXGKZEQ-MRXNPFEDSA-N 1 0 382.505 -0.463 20 0 GBADRO CN(C[C@@H]1CCCCO1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504816 1072458094 /nfs/dbraw/zinc/45/80/94/1072458094.db2.gz RCVOKDTZWLZIAU-KRWDZBQOSA-N 1 0 396.532 -0.073 20 0 GBADRO CN(C[C@H]1CCCCO1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504817 1072458186 /nfs/dbraw/zinc/45/81/86/1072458186.db2.gz RCVOKDTZWLZIAU-QGZVFWFLSA-N 1 0 396.532 -0.073 20 0 GBADRO CCCN(CC(C)(C)O)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504855 1072458106 /nfs/dbraw/zinc/45/81/06/1072458106.db2.gz RJAXVIIUHPIQEM-UHFFFAOYSA-N 1 0 398.548 -0.091 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCO1 ZINC000422504901 1072458177 /nfs/dbraw/zinc/45/81/77/1072458177.db2.gz RPQNNSMVLJBREK-KRWDZBQOSA-N 1 0 396.532 -0.073 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCO1 ZINC000422504902 1072458302 /nfs/dbraw/zinc/45/83/02/1072458302.db2.gz RPQNNSMVLJBREK-QGZVFWFLSA-N 1 0 396.532 -0.073 20 0 GBADRO CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422505258 1072458936 /nfs/dbraw/zinc/45/89/36/1072458936.db2.gz SNKARTWHPDTRRF-DLBZAZTESA-N 1 0 396.532 -0.075 20 0 GBADRO CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422505259 1072458826 /nfs/dbraw/zinc/45/88/26/1072458826.db2.gz SNKARTWHPDTRRF-IAGOWNOFSA-N 1 0 396.532 -0.075 20 0 GBADRO CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422505260 1072458944 /nfs/dbraw/zinc/45/89/44/1072458944.db2.gz SNKARTWHPDTRRF-IRXDYDNUSA-N 1 0 396.532 -0.075 20 0 GBADRO CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422505261 1072458841 /nfs/dbraw/zinc/45/88/41/1072458841.db2.gz SNKARTWHPDTRRF-SJORKVTESA-N 1 0 396.532 -0.075 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCOC(C)(C)C2)(N2CCOCC2)CC1 ZINC000422505837 1072458075 /nfs/dbraw/zinc/45/80/75/1072458075.db2.gz UPBOGXCDMGJPED-UHFFFAOYSA-N 1 0 382.505 -0.463 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCN(C3CC3)CC2)(N2CCOCC2)CC1 ZINC000422506061 1072458863 /nfs/dbraw/zinc/45/88/63/1072458863.db2.gz VFMIFMKURROJOS-UHFFFAOYSA-N 1 0 393.532 -0.794 20 0 GBADRO CCCCCN(CCO)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422506092 1072458861 /nfs/dbraw/zinc/45/88/61/1072458861.db2.gz VKQWFKYMKRCAOH-UHFFFAOYSA-N 1 0 398.548 -0.090 20 0 GBADRO CO[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@@H]1C ZINC000422506634 1072458833 /nfs/dbraw/zinc/45/88/33/1072458833.db2.gz XAMUEROEYSLKHN-DLBZAZTESA-N 1 0 396.532 -0.217 20 0 GBADRO CO[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@H]1C ZINC000422506635 1072458908 /nfs/dbraw/zinc/45/89/08/1072458908.db2.gz XAMUEROEYSLKHN-IAGOWNOFSA-N 1 0 396.532 -0.217 20 0 GBADRO CO[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@@H]1C ZINC000422506636 1072458887 /nfs/dbraw/zinc/45/88/87/1072458887.db2.gz XAMUEROEYSLKHN-IRXDYDNUSA-N 1 0 396.532 -0.217 20 0 GBADRO CO[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[C@H]1C ZINC000422506637 1072458804 /nfs/dbraw/zinc/45/88/04/1072458804.db2.gz XAMUEROEYSLKHN-SJORKVTESA-N 1 0 396.532 -0.217 20 0 GBADRO COC1([C@H](C)NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000422506867 1072458837 /nfs/dbraw/zinc/45/88/37/1072458837.db2.gz XRZLQPVCSVBCOB-INIZCTEOSA-N 1 0 396.532 -0.027 20 0 GBADRO COC1([C@@H](C)NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000422506868 1072458866 /nfs/dbraw/zinc/45/88/66/1072458866.db2.gz XRZLQPVCSVBCOB-MRXNPFEDSA-N 1 0 396.532 -0.027 20 0 GBADRO CO[C@@]1(C)CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000422507130 1072458952 /nfs/dbraw/zinc/45/89/52/1072458952.db2.gz YHHQPXDEGINQRK-IBGZPJMESA-N 1 0 396.532 -0.073 20 0 GBADRO CO[C@]1(C)CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000422507131 1072458829 /nfs/dbraw/zinc/45/88/29/1072458829.db2.gz YHHQPXDEGINQRK-LJQANCHMSA-N 1 0 396.532 -0.073 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000422507192 1072458817 /nfs/dbraw/zinc/45/88/17/1072458817.db2.gz YOJKPRWJXOLZRA-IYBDPMFKSA-N 1 0 382.505 -0.465 20 0 GBADRO CN(CCOCC1CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422507203 1072458959 /nfs/dbraw/zinc/45/89/59/1072458959.db2.gz YPVGNVIIQFUZCF-UHFFFAOYSA-N 1 0 396.532 -0.216 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]2C(C)(C)O)(N2CCOCC2)CC1 ZINC000422507344 1072458811 /nfs/dbraw/zinc/45/88/11/1072458811.db2.gz YTQIOQIFNIMKFV-INIZCTEOSA-N 1 0 396.532 -0.339 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)(N2CCOCC2)CC1 ZINC000422507345 1072458845 /nfs/dbraw/zinc/45/88/45/1072458845.db2.gz YTQIOQIFNIMKFV-MRXNPFEDSA-N 1 0 396.532 -0.339 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H](C)O1 ZINC000422512991 1072459692 /nfs/dbraw/zinc/45/96/92/1072459692.db2.gz FWCUYUGJHUQXIC-BZUAXINKSA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H](C)O1 ZINC000422512992 1072459625 /nfs/dbraw/zinc/45/96/25/1072459625.db2.gz FWCUYUGJHUQXIC-OAGGEKHMSA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H](C)O1 ZINC000422512993 1072459788 /nfs/dbraw/zinc/45/97/88/1072459788.db2.gz FWCUYUGJHUQXIC-OWCLPIDISA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H](C)O1 ZINC000422512994 1072459982 /nfs/dbraw/zinc/45/99/82/1072459982.db2.gz FWCUYUGJHUQXIC-PMPSAXMXSA-N 1 0 380.489 -0.317 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422513283 1072460001 /nfs/dbraw/zinc/46/00/01/1072460001.db2.gz BZLDRMXRLHCWKM-HNNXBMFYSA-N 1 0 380.420 -0.258 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422513291 1072459578 /nfs/dbraw/zinc/45/95/78/1072459578.db2.gz BZLDRMXRLHCWKM-OAHLLOKOSA-N 1 0 380.420 -0.258 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000422516865 1072459726 /nfs/dbraw/zinc/45/97/26/1072459726.db2.gz KOIQKUYQOPSMPI-JYJNAYRXSA-N 1 0 382.505 -0.071 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000422516866 1072459873 /nfs/dbraw/zinc/45/98/73/1072459873.db2.gz KOIQKUYQOPSMPI-OAGGEKHMSA-N 1 0 382.505 -0.071 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000422516867 1072459534 /nfs/dbraw/zinc/45/95/34/1072459534.db2.gz KOIQKUYQOPSMPI-PMPSAXMXSA-N 1 0 382.505 -0.071 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000422516868 1072460023 /nfs/dbraw/zinc/46/00/23/1072460023.db2.gz KOIQKUYQOPSMPI-XHSDSOJGSA-N 1 0 382.505 -0.071 20 0 GBADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000422518834 1072460535 /nfs/dbraw/zinc/46/05/35/1072460535.db2.gz ONEWKXPBDURQHX-IAGOWNOFSA-N 1 0 388.468 -0.402 20 0 GBADRO 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/nfs/dbraw/zinc/47/99/06/1072479906.db2.gz ZVPUNQKDXJSGGT-AWEZNQCLSA-N 1 0 385.442 -0.582 20 0 GBADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000422932435 1072480116 /nfs/dbraw/zinc/48/01/16/1072480116.db2.gz FSYLLDUYFNFGHX-CVEARBPZSA-N 1 0 385.486 -0.006 20 0 GBADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000422932436 1072480047 /nfs/dbraw/zinc/48/00/47/1072480047.db2.gz FSYLLDUYFNFGHX-HOTGVXAUSA-N 1 0 385.486 -0.006 20 0 GBADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000422932437 1072479950 /nfs/dbraw/zinc/47/99/50/1072479950.db2.gz FSYLLDUYFNFGHX-HZPDHXFCSA-N 1 0 385.486 -0.006 20 0 GBADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000422932438 1072480172 /nfs/dbraw/zinc/48/01/72/1072480172.db2.gz FSYLLDUYFNFGHX-JKSUJKDBSA-N 1 0 385.486 -0.006 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000422936340 1072479898 /nfs/dbraw/zinc/47/98/98/1072479898.db2.gz MBVLULCKSONDSQ-LBPRGKRZSA-N 1 0 391.396 -0.312 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000422938682 1072480964 /nfs/dbraw/zinc/48/09/64/1072480964.db2.gz DXDBRDSILMSOTK-AWEZNQCLSA-N 1 0 387.433 -0.061 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000422939983 1072480975 /nfs/dbraw/zinc/48/09/75/1072480975.db2.gz MPAMUTHZFAQPSU-INIZCTEOSA-N 1 0 395.481 -0.101 20 0 GBADRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000422941113 1072481090 /nfs/dbraw/zinc/48/10/90/1072481090.db2.gz HPJPTJZNWJAQDI-UHFFFAOYSA-N 1 0 388.468 -0.408 20 0 GBADRO COC[C@]1(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC[NH2+]C1 ZINC000422952768 1072482443 /nfs/dbraw/zinc/48/24/43/1072482443.db2.gz DHJPFBFEWDNEPE-KRWDZBQOSA-N 1 0 388.534 -0.123 20 0 GBADRO COC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC[NH2+]C1 ZINC000422952776 1072482720 /nfs/dbraw/zinc/48/27/20/1072482720.db2.gz DHJPFBFEWDNEPE-QGZVFWFLSA-N 1 0 388.534 -0.123 20 0 GBADRO [NH3+]CCCn1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)nn1 ZINC000422955153 530356385 /nfs/dbraw/zinc/35/63/85/530356385.db2.gz LANXXMCBIBUZQJ-UHFFFAOYSA-N 1 0 386.865 -0.011 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000422961230 530356563 /nfs/dbraw/zinc/35/65/63/530356563.db2.gz YSISWZFOHUJGJS-ZDUSSCGKSA-N 1 0 376.479 -0.858 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000422967908 1072481705 /nfs/dbraw/zinc/48/17/05/1072481705.db2.gz UYFZLFTVLKXORI-HNNXBMFYSA-N 1 0 379.413 -0.121 20 0 GBADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(C)n1 ZINC000422973839 1072483692 /nfs/dbraw/zinc/48/36/92/1072483692.db2.gz PQHKVNPIGCRTKA-KRWDZBQOSA-N 1 0 387.484 -0.015 20 0 GBADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(C)n1 ZINC000422973840 1072483546 /nfs/dbraw/zinc/48/35/46/1072483546.db2.gz PQHKVNPIGCRTKA-QGZVFWFLSA-N 1 0 387.484 -0.015 20 0 GBADRO CCN1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 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ALUUAVHEQIWOKC-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000422984620 1072484527 /nfs/dbraw/zinc/48/45/27/1072484527.db2.gz BDQQPTOARQHOQW-UHFFFAOYSA-N 1 0 384.433 -0.910 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1C ZINC000422984813 1072484202 /nfs/dbraw/zinc/48/42/02/1072484202.db2.gz BKUKUPVJDZTDOW-UHFFFAOYSA-N 1 0 382.486 -0.447 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422984962 1072484386 /nfs/dbraw/zinc/48/43/86/1072484386.db2.gz BTXHJLRQHGVHSK-CABCVRRESA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422984963 1072484557 /nfs/dbraw/zinc/48/45/57/1072484557.db2.gz BTXHJLRQHGVHSK-GJZGRUSLSA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422985027 1072484292 /nfs/dbraw/zinc/48/42/92/1072484292.db2.gz BTXHJLRQHGVHSK-HUUCEWRRSA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422985028 1072484123 /nfs/dbraw/zinc/48/41/23/1072484123.db2.gz BTXHJLRQHGVHSK-LSDHHAIUSA-N 1 0 394.497 -0.285 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000422985180 1072484413 /nfs/dbraw/zinc/48/44/13/1072484413.db2.gz CKPWBJYXMJSVGT-CYBMUJFWSA-N 1 0 398.460 -0.534 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000422985181 1072484498 /nfs/dbraw/zinc/48/44/98/1072484498.db2.gz CKPWBJYXMJSVGT-ZDUSSCGKSA-N 1 0 398.460 -0.534 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000422985378 1072484178 /nfs/dbraw/zinc/48/41/78/1072484178.db2.gz DMRGWGHMFMYEFL-HNNXBMFYSA-N 1 0 394.497 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000422985379 1072484584 /nfs/dbraw/zinc/48/45/84/1072484584.db2.gz DMRGWGHMFMYEFL-OAHLLOKOSA-N 1 0 394.497 -0.352 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422985478 1072484351 /nfs/dbraw/zinc/48/43/51/1072484351.db2.gz DZJZRUZGKSWXBA-UHFFFAOYSA-N 1 0 382.486 -0.413 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422985672 1072484303 /nfs/dbraw/zinc/48/43/03/1072484303.db2.gz FTLBPTADWWWCFP-AWEZNQCLSA-N 1 0 380.470 -0.673 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422985673 1072484408 /nfs/dbraw/zinc/48/44/08/1072484408.db2.gz FTLBPTADWWWCFP-CQSZACIVSA-N 1 0 380.470 -0.673 20 0 GBADRO COc1cccc(CN(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000422985874 1072484429 /nfs/dbraw/zinc/48/44/29/1072484429.db2.gz ATJUFALMIRDGDY-HNNXBMFYSA-N 1 0 376.457 -0.033 20 0 GBADRO COc1cccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000422985875 1072484505 /nfs/dbraw/zinc/48/45/05/1072484505.db2.gz ATJUFALMIRDGDY-OAHLLOKOSA-N 1 0 376.457 -0.033 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000422985996 1072485069 /nfs/dbraw/zinc/48/50/69/1072485069.db2.gz GGKZSDYTNWXJNU-HNNXBMFYSA-N 1 0 394.497 -0.365 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000422985997 1072485196 /nfs/dbraw/zinc/48/51/96/1072485196.db2.gz GGKZSDYTNWXJNU-OAHLLOKOSA-N 1 0 394.497 -0.365 20 0 GBADRO CN(CCOc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422986080 1072484487 /nfs/dbraw/zinc/48/44/87/1072484487.db2.gz BIOIFTDBOOUFTJ-HNNXBMFYSA-N 1 0 376.457 -0.163 20 0 GBADRO CN(CCOc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422986081 1072484133 /nfs/dbraw/zinc/48/41/33/1072484133.db2.gz BIOIFTDBOOUFTJ-OAHLLOKOSA-N 1 0 376.457 -0.163 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000422986157 1072484563 /nfs/dbraw/zinc/48/45/63/1072484563.db2.gz GNPRBENNVBBAGA-UHFFFAOYSA-N 1 0 380.470 -0.740 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422986485 1072482809 /nfs/dbraw/zinc/48/28/09/1072482809.db2.gz GZISWXUOEZXLBT-UHFFFAOYSA-N 1 0 396.513 -0.037 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000422987233 1072485058 /nfs/dbraw/zinc/48/50/58/1072485058.db2.gz IBDHGTROYYRDET-UHFFFAOYSA-N 1 0 394.497 -0.432 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000422987279 1072485343 /nfs/dbraw/zinc/48/53/43/1072485343.db2.gz IDYOZLRBPWQWAJ-UHFFFAOYSA-N 1 0 394.497 -0.270 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000422987931 1072967298 /nfs/dbraw/zinc/96/72/98/1072967298.db2.gz JKFFTZOPGRXDSF-UHFFFAOYSA-N 1 0 398.485 -0.794 20 0 GBADRO COCCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422988205 1072482686 /nfs/dbraw/zinc/48/26/86/1072482686.db2.gz IPDVLCNUOGDUJU-KRWDZBQOSA-N 1 0 390.484 -0.025 20 0 GBADRO COCCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422988206 1072482539 /nfs/dbraw/zinc/48/25/39/1072482539.db2.gz IPDVLCNUOGDUJU-QGZVFWFLSA-N 1 0 390.484 -0.025 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000422988240 1072482830 /nfs/dbraw/zinc/48/28/30/1072482830.db2.gz KAZBMRHMGQKSAE-UHFFFAOYSA-N 1 0 382.486 -0.447 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422988246 1072482851 /nfs/dbraw/zinc/48/28/51/1072482851.db2.gz KBEFMKJLWAJAGJ-HNNXBMFYSA-N 1 0 394.497 -0.270 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422988247 1072482673 /nfs/dbraw/zinc/48/26/73/1072482673.db2.gz KBEFMKJLWAJAGJ-OAHLLOKOSA-N 1 0 394.497 -0.270 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422988285 1072482803 /nfs/dbraw/zinc/48/28/03/1072482803.db2.gz KEHRXPARFOUERS-GOSISDBHSA-N 1 0 394.497 -0.283 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422988286 1072482471 /nfs/dbraw/zinc/48/24/71/1072482471.db2.gz KEHRXPARFOUERS-SFHVURJKSA-N 1 0 394.497 -0.283 20 0 GBADRO COc1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000422988691 1072482557 /nfs/dbraw/zinc/48/25/57/1072482557.db2.gz JTVXCPFXYAUMFP-HNNXBMFYSA-N 1 0 376.457 -0.033 20 0 GBADRO COc1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000422988692 1072482834 /nfs/dbraw/zinc/48/28/34/1072482834.db2.gz JTVXCPFXYAUMFP-OAHLLOKOSA-N 1 0 376.457 -0.033 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000422989068 1072966950 /nfs/dbraw/zinc/96/69/50/1072966950.db2.gz LNHXABBQBAAHTG-UHFFFAOYSA-N 1 0 386.449 -0.664 20 0 GBADRO CCOc1ccccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000422989237 1072482838 /nfs/dbraw/zinc/48/28/38/1072482838.db2.gz ANFNHYRIKZJDCE-HNNXBMFYSA-N 1 0 376.457 -0.080 20 0 GBADRO CCOc1ccccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000422989238 1072482595 /nfs/dbraw/zinc/48/25/95/1072482595.db2.gz ANFNHYRIKZJDCE-OAHLLOKOSA-N 1 0 376.457 -0.080 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000422989444 1072482568 /nfs/dbraw/zinc/48/25/68/1072482568.db2.gz LUQLIVOVPDWUSQ-HNNXBMFYSA-N 1 0 394.497 -0.352 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000422989445 1072482678 /nfs/dbraw/zinc/48/26/78/1072482678.db2.gz LUQLIVOVPDWUSQ-OAHLLOKOSA-N 1 0 394.497 -0.352 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000422989518 1072966772 /nfs/dbraw/zinc/96/67/72/1072966772.db2.gz MBTVHXJTCUAKIV-UHFFFAOYSA-N 1 0 396.513 -0.186 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000422989808 1072483566 /nfs/dbraw/zinc/48/35/66/1072483566.db2.gz MRFSOFLMDSGLLE-AWEZNQCLSA-N 1 0 380.470 -0.612 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000422989809 1072483302 /nfs/dbraw/zinc/48/33/02/1072483302.db2.gz MRFSOFLMDSGLLE-CQSZACIVSA-N 1 0 380.470 -0.612 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000422990135 1072482843 /nfs/dbraw/zinc/48/28/43/1072482843.db2.gz MUGSWBDOELGMJQ-HNNXBMFYSA-N 1 0 388.472 -0.956 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000422990136 1072482696 /nfs/dbraw/zinc/48/26/96/1072482696.db2.gz MUGSWBDOELGMJQ-OAHLLOKOSA-N 1 0 388.472 -0.956 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000422991796 1072483737 /nfs/dbraw/zinc/48/37/37/1072483737.db2.gz BROVKAWMFLJPFF-KRWDZBQOSA-N 1 0 376.457 -0.080 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000422991797 1072483423 /nfs/dbraw/zinc/48/34/23/1072483423.db2.gz BROVKAWMFLJPFF-QGZVFWFLSA-N 1 0 376.457 -0.080 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1C ZINC000422992026 1072483320 /nfs/dbraw/zinc/48/33/20/1072483320.db2.gz PMDFJWXVBPKYFE-UHFFFAOYSA-N 1 0 394.497 -0.432 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000422993219 530356612 /nfs/dbraw/zinc/35/66/12/530356612.db2.gz RDHLPYFYXWVMJK-UHFFFAOYSA-N 1 0 388.877 -0.410 20 0 GBADRO COc1ccccc1CN(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422994347 1072483434 /nfs/dbraw/zinc/48/34/34/1072483434.db2.gz VCLKCODNABGCQC-HNNXBMFYSA-N 1 0 376.457 -0.033 20 0 GBADRO COc1ccccc1CN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422994348 1072483654 /nfs/dbraw/zinc/48/36/54/1072483654.db2.gz VCLKCODNABGCQC-OAHLLOKOSA-N 1 0 376.457 -0.033 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000422996318 1072487065 /nfs/dbraw/zinc/48/70/65/1072487065.db2.gz SRQNMIOBAYXHPG-UHFFFAOYSA-N 1 0 394.497 -0.283 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000422996613 1072485228 /nfs/dbraw/zinc/48/52/28/1072485228.db2.gz UBAOUIHTKKVJSI-CYBMUJFWSA-N 1 0 396.469 -0.912 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000422996614 1072485015 /nfs/dbraw/zinc/48/50/15/1072485015.db2.gz UBAOUIHTKKVJSI-ZDUSSCGKSA-N 1 0 396.469 -0.912 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422996805 1072485120 /nfs/dbraw/zinc/48/51/20/1072485120.db2.gz UMDKUYQSGIRWAJ-AWEZNQCLSA-N 1 0 380.470 -0.660 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422996807 1072485351 /nfs/dbraw/zinc/48/53/51/1072485351.db2.gz UMDKUYQSGIRWAJ-CQSZACIVSA-N 1 0 380.470 -0.660 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422997668 1072485368 /nfs/dbraw/zinc/48/53/68/1072485368.db2.gz VGOOJLVUUZUTEM-AWEZNQCLSA-N 1 0 380.470 -0.531 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000422998107 1072485296 /nfs/dbraw/zinc/48/52/96/1072485296.db2.gz PQSMONITMKOBAC-UHFFFAOYSA-N 1 0 390.412 -0.785 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000422998232 1072485336 /nfs/dbraw/zinc/48/53/36/1072485336.db2.gz WADVNIVYDJLEAO-AWEZNQCLSA-N 1 0 398.460 -0.521 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000422998233 1072485162 /nfs/dbraw/zinc/48/51/62/1072485162.db2.gz WADVNIVYDJLEAO-CQSZACIVSA-N 1 0 398.460 -0.521 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000422998256 1072485244 /nfs/dbraw/zinc/48/52/44/1072485244.db2.gz WEKHPPPNJWTIPH-GDBMZVCRSA-N 1 0 394.497 -0.366 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000422998257 1072485384 /nfs/dbraw/zinc/48/53/84/1072485384.db2.gz WEKHPPPNJWTIPH-GOEBONIOSA-N 1 0 394.497 -0.366 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000422998258 1072485277 /nfs/dbraw/zinc/48/52/77/1072485277.db2.gz WEKHPPPNJWTIPH-HOCLYGCPSA-N 1 0 394.497 -0.366 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2)cc1 ZINC000422998259 1072485265 /nfs/dbraw/zinc/48/52/65/1072485265.db2.gz WEKHPPPNJWTIPH-ZBFHGGJFSA-N 1 0 394.497 -0.366 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000422998435 1072485095 /nfs/dbraw/zinc/48/50/95/1072485095.db2.gz CRJAGBKZWRIONS-INIZCTEOSA-N 1 0 380.489 -0.316 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000422998436 1072485260 /nfs/dbraw/zinc/48/52/60/1072485260.db2.gz CRJAGBKZWRIONS-MRXNPFEDSA-N 1 0 380.489 -0.316 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000422998954 530356508 /nfs/dbraw/zinc/35/65/08/530356508.db2.gz XBHHQRQUEISOQL-UHFFFAOYSA-N 1 0 388.877 -0.410 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000422998977 1072485340 /nfs/dbraw/zinc/48/53/40/1072485340.db2.gz XFNXUUNFVUYTGV-UHFFFAOYSA-N 1 0 394.497 -0.222 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000422998978 1072968726 /nfs/dbraw/zinc/96/87/26/1072968726.db2.gz XGGSZHIUQMAACJ-UHFFFAOYSA-N 1 0 396.513 -0.186 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422998981 1072485283 /nfs/dbraw/zinc/48/52/83/1072485283.db2.gz XGOWRGKBKDMYFI-HNNXBMFYSA-N 1 0 394.497 -0.413 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000422998982 1072485332 /nfs/dbraw/zinc/48/53/32/1072485332.db2.gz XGOWRGKBKDMYFI-OAHLLOKOSA-N 1 0 394.497 -0.413 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000423000366 1072485029 /nfs/dbraw/zinc/48/50/29/1072485029.db2.gz GQNOQBBLGDWHSD-INIZCTEOSA-N 1 0 380.489 -0.316 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000423000367 1072485078 /nfs/dbraw/zinc/48/50/78/1072485078.db2.gz GQNOQBBLGDWHSD-MRXNPFEDSA-N 1 0 380.489 -0.316 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000423000737 1072485301 /nfs/dbraw/zinc/48/53/01/1072485301.db2.gz ZTWBPQFGDGVELL-UHFFFAOYSA-N 1 0 396.513 -0.104 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423002806 1072485131 /nfs/dbraw/zinc/48/51/31/1072485131.db2.gz JUEDJOLKFABOIS-UHFFFAOYSA-N 1 0 376.457 -0.220 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423004002 1072485376 /nfs/dbraw/zinc/48/53/76/1072485376.db2.gz NZOJKAZTVPSKHL-HNNXBMFYSA-N 1 0 376.457 -0.092 20 0 GBADRO COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423004003 1072485312 /nfs/dbraw/zinc/48/53/12/1072485312.db2.gz NZOJKAZTVPSKHL-OAHLLOKOSA-N 1 0 376.457 -0.092 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000423004947 530356531 /nfs/dbraw/zinc/35/65/31/530356531.db2.gz QJSIYZSGAXWBIY-UHFFFAOYSA-N 1 0 394.906 -0.349 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423005968 1072485233 /nfs/dbraw/zinc/48/52/33/1072485233.db2.gz TWODPVHHZPMQFW-GOSISDBHSA-N 1 0 399.495 -0.523 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423005969 1072485272 /nfs/dbraw/zinc/48/52/72/1072485272.db2.gz TWODPVHHZPMQFW-SFHVURJKSA-N 1 0 399.495 -0.523 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000423006468 1072485388 /nfs/dbraw/zinc/48/53/88/1072485388.db2.gz VIURPINVJVQGNR-GOSISDBHSA-N 1 0 399.495 -0.523 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000423006469 1072485356 /nfs/dbraw/zinc/48/53/56/1072485356.db2.gz VIURPINVJVQGNR-SFHVURJKSA-N 1 0 399.495 -0.523 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423006974 1072485318 /nfs/dbraw/zinc/48/53/18/1072485318.db2.gz WXSQNRPSQCXXTQ-CVEARBPZSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423006981 1072485387 /nfs/dbraw/zinc/48/53/87/1072485387.db2.gz WXSQNRPSQCXXTQ-HOTGVXAUSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423006983 1072485202 /nfs/dbraw/zinc/48/52/02/1072485202.db2.gz WXSQNRPSQCXXTQ-HZPDHXFCSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423006986 1072485308 /nfs/dbraw/zinc/48/53/08/1072485308.db2.gz WXSQNRPSQCXXTQ-JKSUJKDBSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423008093 1072485290 /nfs/dbraw/zinc/48/52/90/1072485290.db2.gz ZIVPIYDTDKOESM-CVEARBPZSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423008094 1072485380 /nfs/dbraw/zinc/48/53/80/1072485380.db2.gz ZIVPIYDTDKOESM-HOTGVXAUSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423008095 1072485049 /nfs/dbraw/zinc/48/50/49/1072485049.db2.gz ZIVPIYDTDKOESM-HZPDHXFCSA-N 1 0 388.468 -0.209 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423008096 1072485843 /nfs/dbraw/zinc/48/58/43/1072485843.db2.gz ZIVPIYDTDKOESM-JKSUJKDBSA-N 1 0 388.468 -0.209 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423009578 1072485901 /nfs/dbraw/zinc/48/59/01/1072485901.db2.gz VVTNHCJPPKNNKH-KBPBESRZSA-N 1 0 382.461 -0.898 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423009579 1072485893 /nfs/dbraw/zinc/48/58/93/1072485893.db2.gz VVTNHCJPPKNNKH-KGLIPLIRSA-N 1 0 382.461 -0.898 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423009580 1072486007 /nfs/dbraw/zinc/48/60/07/1072486007.db2.gz VVTNHCJPPKNNKH-UONOGXRCSA-N 1 0 382.461 -0.898 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423009581 1072486117 /nfs/dbraw/zinc/48/61/17/1072486117.db2.gz VVTNHCJPPKNNKH-ZIAGYGMSSA-N 1 0 382.461 -0.898 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423009810 1072485854 /nfs/dbraw/zinc/48/58/54/1072485854.db2.gz DZFNEDHQKXKKIM-UHFFFAOYSA-N 1 0 396.513 -0.272 20 0 GBADRO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000423010167 1072485922 /nfs/dbraw/zinc/48/59/22/1072485922.db2.gz FTGIMIFJHFLKOV-UHFFFAOYSA-N 1 0 396.513 -0.111 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000423011874 1072485989 /nfs/dbraw/zinc/48/59/89/1072485989.db2.gz JNXIYQKNQDNEBI-UHFFFAOYSA-N 1 0 394.497 -0.390 20 0 GBADRO O=C(C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000423012952 1072485711 /nfs/dbraw/zinc/48/57/11/1072485711.db2.gz LOTZOYLIBSNBGL-UHFFFAOYSA-N 1 0 380.470 -0.908 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1F ZINC000423013383 1072485984 /nfs/dbraw/zinc/48/59/84/1072485984.db2.gz FTRJTEZYPMRHJW-HNNXBMFYSA-N 1 0 394.447 -0.335 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1F ZINC000423013384 1072485870 /nfs/dbraw/zinc/48/58/70/1072485870.db2.gz FTRJTEZYPMRHJW-OAHLLOKOSA-N 1 0 394.447 -0.335 20 0 GBADRO O=C(C(=O)N1CCN(Cc2cccs2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423013385 1072486041 /nfs/dbraw/zinc/48/60/41/1072486041.db2.gz FTVHETKYFWPMKP-INIZCTEOSA-N 1 0 391.541 -0.102 20 0 GBADRO O=C(C(=O)N1CCN(Cc2cccs2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423013386 1072486070 /nfs/dbraw/zinc/48/60/70/1072486070.db2.gz FTVHETKYFWPMKP-MRXNPFEDSA-N 1 0 391.541 -0.102 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423014101 1072486126 /nfs/dbraw/zinc/48/61/26/1072486126.db2.gz OFHBNHMWUDISAQ-INIZCTEOSA-N 1 0 377.493 -0.300 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423014102 1072485794 /nfs/dbraw/zinc/48/57/94/1072485794.db2.gz OFHBNHMWUDISAQ-MRXNPFEDSA-N 1 0 377.493 -0.300 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000423014111 1072486033 /nfs/dbraw/zinc/48/60/33/1072486033.db2.gz OHQAIHYSXGGQDR-UHFFFAOYSA-N 1 0 394.497 -0.575 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423014158 1072486067 /nfs/dbraw/zinc/48/60/67/1072486067.db2.gz HMRAZHNKOGLBLW-KRWDZBQOSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423014159 1072485954 /nfs/dbraw/zinc/48/59/54/1072485954.db2.gz HMRAZHNKOGLBLW-QGZVFWFLSA-N 1 0 393.532 -0.354 20 0 GBADRO COCCCN(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423014560 530356468 /nfs/dbraw/zinc/35/64/68/530356468.db2.gz ISPIWQMRXJBPBH-HZSPNIEDSA-N 1 0 375.491 -0.753 20 0 GBADRO COCCCN(C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000423014561 530356560 /nfs/dbraw/zinc/35/65/60/530356560.db2.gz ISPIWQMRXJBPBH-IHRRRGAJSA-N 1 0 375.491 -0.753 20 0 GBADRO COCCCN(C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423014562 530356412 /nfs/dbraw/zinc/35/64/12/530356412.db2.gz ISPIWQMRXJBPBH-MELADBBJSA-N 1 0 375.491 -0.753 20 0 GBADRO COCCCN(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000423014563 530356584 /nfs/dbraw/zinc/35/65/84/530356584.db2.gz ISPIWQMRXJBPBH-MJBXVCDLSA-N 1 0 375.491 -0.753 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423014792 1072485862 /nfs/dbraw/zinc/48/58/62/1072485862.db2.gz JKCWKRZFWHGDHX-DLBZAZTESA-N 1 0 393.532 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423014793 1072485980 /nfs/dbraw/zinc/48/59/80/1072485980.db2.gz JKCWKRZFWHGDHX-IAGOWNOFSA-N 1 0 393.532 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423014794 1072486061 /nfs/dbraw/zinc/48/60/61/1072486061.db2.gz JKCWKRZFWHGDHX-IRXDYDNUSA-N 1 0 393.532 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423014795 1072486038 /nfs/dbraw/zinc/48/60/38/1072486038.db2.gz JKCWKRZFWHGDHX-SJORKVTESA-N 1 0 393.532 -0.497 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000423014934 1072486001 /nfs/dbraw/zinc/48/60/01/1072486001.db2.gz JMZYDXNPXHGABS-UHFFFAOYSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000423016360 1072486051 /nfs/dbraw/zinc/48/60/51/1072486051.db2.gz MLQBMTZVSNQMMJ-UHFFFAOYSA-N 1 0 381.521 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423016445 1072485996 /nfs/dbraw/zinc/48/59/96/1072485996.db2.gz MSQANCCMQDLXBF-KRWDZBQOSA-N 1 0 393.532 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423016447 1072485848 /nfs/dbraw/zinc/48/58/48/1072485848.db2.gz MSQANCCMQDLXBF-QGZVFWFLSA-N 1 0 393.532 -0.497 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423016608 1072485948 /nfs/dbraw/zinc/48/59/48/1072485948.db2.gz UEIIBTSHBLFCIJ-INIZCTEOSA-N 1 0 394.497 -0.532 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423016614 1072486046 /nfs/dbraw/zinc/48/60/46/1072486046.db2.gz UEIIBTSHBLFCIJ-MRXNPFEDSA-N 1 0 394.497 -0.532 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423016835 1072485971 /nfs/dbraw/zinc/48/59/71/1072485971.db2.gz URJLKYZJMFJKDM-HNNXBMFYSA-N 1 0 394.497 -0.519 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423016836 1072485932 /nfs/dbraw/zinc/48/59/32/1072485932.db2.gz URJLKYZJMFJKDM-OAHLLOKOSA-N 1 0 394.497 -0.519 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423016862 1072975435 /nfs/dbraw/zinc/97/54/35/1072975435.db2.gz UVCQPQCZLZSWHQ-UHFFFAOYSA-N 1 0 382.486 -0.662 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423017278 1072485744 /nfs/dbraw/zinc/48/57/44/1072485744.db2.gz OGMYXBQCFRVCDB-UHFFFAOYSA-N 1 0 393.532 -0.354 20 0 GBADRO O=C(C(=O)N1CC[NH2+]CC1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000423017439 1072485907 /nfs/dbraw/zinc/48/59/07/1072485907.db2.gz ONJJXDXMLQGFLR-UHFFFAOYSA-N 1 0 375.473 -0.436 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423017470 1072485960 /nfs/dbraw/zinc/48/59/60/1072485960.db2.gz OUXXGHORUYHVRU-DNVCBOLYSA-N 1 0 379.505 -0.804 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423017502 530356448 /nfs/dbraw/zinc/35/64/48/530356448.db2.gz PATBZXMVMVBKAJ-CABCVRRESA-N 1 0 375.539 -0.758 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423017503 530356480 /nfs/dbraw/zinc/35/64/80/530356480.db2.gz PATBZXMVMVBKAJ-GJZGRUSLSA-N 1 0 375.539 -0.758 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423017504 530356527 /nfs/dbraw/zinc/35/65/27/530356527.db2.gz PATBZXMVMVBKAJ-HUUCEWRRSA-N 1 0 375.539 -0.758 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423017505 530356557 /nfs/dbraw/zinc/35/65/57/530356557.db2.gz PATBZXMVMVBKAJ-LSDHHAIUSA-N 1 0 375.539 -0.758 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423017560 1072485967 /nfs/dbraw/zinc/48/59/67/1072485967.db2.gz WPRIHNTXDVUQGQ-INIZCTEOSA-N 1 0 394.497 -0.519 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423017561 1072486086 /nfs/dbraw/zinc/48/60/86/1072486086.db2.gz WPRIHNTXDVUQGQ-MRXNPFEDSA-N 1 0 394.497 -0.519 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000423018058 1072486012 /nfs/dbraw/zinc/48/60/12/1072486012.db2.gz QALQTQCRYWJCRP-AWEZNQCLSA-N 1 0 390.506 -0.470 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000423018107 1072485888 /nfs/dbraw/zinc/48/58/88/1072485888.db2.gz QHGCNOPINGRIIR-INIZCTEOSA-N 1 0 381.521 -0.415 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000423018108 1072486077 /nfs/dbraw/zinc/48/60/77/1072486077.db2.gz QHGCNOPINGRIIR-MRXNPFEDSA-N 1 0 381.521 -0.415 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423018155 1072485762 /nfs/dbraw/zinc/48/57/62/1072485762.db2.gz YENOIYFQBWDEIO-HNNXBMFYSA-N 1 0 380.470 -0.780 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423018156 1072486021 /nfs/dbraw/zinc/48/60/21/1072486021.db2.gz YENOIYFQBWDEIO-OAHLLOKOSA-N 1 0 380.470 -0.780 20 0 GBADRO COCCCN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423018638 530356571 /nfs/dbraw/zinc/35/65/71/530356571.db2.gz RMISFMNUONXUST-CYBMUJFWSA-N 1 0 375.491 -0.751 20 0 GBADRO COCCCN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000423018639 530356424 /nfs/dbraw/zinc/35/64/24/530356424.db2.gz RMISFMNUONXUST-ZDUSSCGKSA-N 1 0 375.491 -0.751 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000423018816 1072486745 /nfs/dbraw/zinc/48/67/45/1072486745.db2.gz ZVVBIKGSKOMFFX-MRXNPFEDSA-N 1 0 394.497 -0.390 20 0 GBADRO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000423019114 1072486715 /nfs/dbraw/zinc/48/67/15/1072486715.db2.gz UAMQERQENDCXAX-HNNXBMFYSA-N 1 0 395.529 -0.044 20 0 GBADRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000423019115 1072486837 /nfs/dbraw/zinc/48/68/37/1072486837.db2.gz UAMQERQENDCXAX-OAHLLOKOSA-N 1 0 395.529 -0.044 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000423019151 1072487090 /nfs/dbraw/zinc/48/70/90/1072487090.db2.gz UETRJZDMKOILIX-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)C[C@H]1[NH3+] ZINC000423019327 1072486798 /nfs/dbraw/zinc/48/67/98/1072486798.db2.gz VCKWJYPTABZTEE-SJLPKXTDSA-N 1 0 389.500 -0.062 20 0 GBADRO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423019338 1072486765 /nfs/dbraw/zinc/48/67/65/1072486765.db2.gz VGRRYVJMFVIKHG-AWEZNQCLSA-N 1 0 390.440 -0.313 20 0 GBADRO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423019339 1072486972 /nfs/dbraw/zinc/48/69/72/1072486972.db2.gz VGRRYVJMFVIKHG-CQSZACIVSA-N 1 0 390.440 -0.313 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC[NH2+]1 ZINC000423019543 1072487035 /nfs/dbraw/zinc/48/70/35/1072487035.db2.gz WDMASEDKMQLUPV-KRWDZBQOSA-N 1 0 389.500 -0.047 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)CC[NH2+]1 ZINC000423019544 1072487009 /nfs/dbraw/zinc/48/70/09/1072487009.db2.gz WDMASEDKMQLUPV-QGZVFWFLSA-N 1 0 389.500 -0.047 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000423019757 1072487093 /nfs/dbraw/zinc/48/70/93/1072487093.db2.gz XBIWFNXKYRIGAQ-INIZCTEOSA-N 1 0 391.541 -0.102 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000423019758 1072486978 /nfs/dbraw/zinc/48/69/78/1072486978.db2.gz XBIWFNXKYRIGAQ-MRXNPFEDSA-N 1 0 391.541 -0.102 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000423020293 1072487062 /nfs/dbraw/zinc/48/70/62/1072487062.db2.gz ZUHVCNSBGRIKCT-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CCO1 ZINC000423020348 1072487050 /nfs/dbraw/zinc/48/70/50/1072487050.db2.gz BBIRZTVJGBOTEV-KRWDZBQOSA-N 1 0 376.457 -0.604 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CCO1 ZINC000423020349 1072486920 /nfs/dbraw/zinc/48/69/20/1072486920.db2.gz BBIRZTVJGBOTEV-QGZVFWFLSA-N 1 0 376.457 -0.604 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CCCO1 ZINC000423020532 1072487046 /nfs/dbraw/zinc/48/70/46/1072487046.db2.gz BUWGQPURJIFEFM-GOSISDBHSA-N 1 0 390.484 -0.214 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CCCO1 ZINC000423020533 1072487082 /nfs/dbraw/zinc/48/70/82/1072487082.db2.gz BUWGQPURJIFEFM-SFHVURJKSA-N 1 0 390.484 -0.214 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccncc2)CC1 ZINC000423020560 1072487095 /nfs/dbraw/zinc/48/70/95/1072487095.db2.gz BZNFTIWRMQXGPS-GOSISDBHSA-N 1 0 386.500 -0.768 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccncc2)CC1 ZINC000423020561 1072487053 /nfs/dbraw/zinc/48/70/53/1072487053.db2.gz BZNFTIWRMQXGPS-SFHVURJKSA-N 1 0 386.500 -0.768 20 0 GBADRO C[NH2+]CCc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000423020671 1072486681 /nfs/dbraw/zinc/48/66/81/1072486681.db2.gz CNVTWRPVNXXARC-UHFFFAOYSA-N 1 0 396.513 -0.217 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423020888 1072486888 /nfs/dbraw/zinc/48/68/88/1072486888.db2.gz DBPLZIAXOXAMSR-UHFFFAOYSA-N 1 0 375.473 -0.197 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423020910 1072487071 /nfs/dbraw/zinc/48/70/71/1072487071.db2.gz DDFLBEBAZZMVRS-UHFFFAOYSA-N 1 0 387.484 -0.237 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000423021699 1072486957 /nfs/dbraw/zinc/48/69/57/1072486957.db2.gz GBDXPTCRNYHLNM-UHFFFAOYSA-N 1 0 387.484 -0.182 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423021846 1072487077 /nfs/dbraw/zinc/48/70/77/1072487077.db2.gz GHZIKFCYCFBLDV-AWEZNQCLSA-N 1 0 377.420 -0.532 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423021847 1072487052 /nfs/dbraw/zinc/48/70/52/1072487052.db2.gz GHZIKFCYCFBLDV-CQSZACIVSA-N 1 0 377.420 -0.532 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423022528 1072486904 /nfs/dbraw/zinc/48/69/04/1072486904.db2.gz IBSQIWVQGWPNSW-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423022529 1072486857 /nfs/dbraw/zinc/48/68/57/1072486857.db2.gz IBSQIWVQGWPNSW-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1)NC1CC1 ZINC000423022550 1072487005 /nfs/dbraw/zinc/48/70/05/1072487005.db2.gz FMCXPORFPTVLIB-CVEARBPZSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1)NC1CC1 ZINC000423022551 1072486645 /nfs/dbraw/zinc/48/66/45/1072486645.db2.gz FMCXPORFPTVLIB-HOTGVXAUSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1)NC1CC1 ZINC000423022552 1072487023 /nfs/dbraw/zinc/48/70/23/1072487023.db2.gz FMCXPORFPTVLIB-HZPDHXFCSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1)NC1CC1 ZINC000423022553 1072487075 /nfs/dbraw/zinc/48/70/75/1072487075.db2.gz FMCXPORFPTVLIB-JKSUJKDBSA-N 1 0 391.516 -0.743 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423022883 1072487663 /nfs/dbraw/zinc/48/76/63/1072487663.db2.gz IMGPSVIFALSMOX-INIZCTEOSA-N 1 0 387.484 -0.054 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423022884 1072487804 /nfs/dbraw/zinc/48/78/04/1072487804.db2.gz IMGPSVIFALSMOX-MRXNPFEDSA-N 1 0 387.484 -0.054 20 0 GBADRO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423023291 1072486108 /nfs/dbraw/zinc/48/61/08/1072486108.db2.gz JKBCJHDFAJDMAO-INIZCTEOSA-N 1 0 394.447 -0.335 20 0 GBADRO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423023292 1072486092 /nfs/dbraw/zinc/48/60/92/1072486092.db2.gz JKBCJHDFAJDMAO-MRXNPFEDSA-N 1 0 394.447 -0.335 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423023936 1072487701 /nfs/dbraw/zinc/48/77/01/1072487701.db2.gz KVGIBEDZWMSOQB-AWEZNQCLSA-N 1 0 391.447 -0.284 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423023937 1072487724 /nfs/dbraw/zinc/48/77/24/1072487724.db2.gz KVGIBEDZWMSOQB-CQSZACIVSA-N 1 0 391.447 -0.284 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423024193 1072976197 /nfs/dbraw/zinc/97/61/97/1072976197.db2.gz LFRUICWSAVXKPG-UHFFFAOYSA-N 1 0 379.436 -0.414 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1)NC1CC1 ZINC000423024256 1072487548 /nfs/dbraw/zinc/48/75/48/1072487548.db2.gz IZABROMQPLLUKY-KRWDZBQOSA-N 1 0 391.516 -0.600 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1)NC1CC1 ZINC000423024257 1072487473 /nfs/dbraw/zinc/48/74/73/1072487473.db2.gz IZABROMQPLLUKY-QGZVFWFLSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000423024358 1072487714 /nfs/dbraw/zinc/48/77/14/1072487714.db2.gz LNZPFOKHCOMTPI-CZUORRHYSA-N 1 0 391.447 -0.286 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423024727 1072487689 /nfs/dbraw/zinc/48/76/89/1072487689.db2.gz MIUBNIKQFMOKGD-HNNXBMFYSA-N 1 0 391.447 -0.142 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423024728 1072487623 /nfs/dbraw/zinc/48/76/23/1072487623.db2.gz MIUBNIKQFMOKGD-OAHLLOKOSA-N 1 0 391.447 -0.142 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423025863 1072488277 /nfs/dbraw/zinc/48/82/77/1072488277.db2.gz PHKTXZYQRVFSOR-UHFFFAOYSA-N 1 0 393.463 -0.024 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423026132 1072487677 /nfs/dbraw/zinc/48/76/77/1072487677.db2.gz AOFDSZJTKAYYQQ-IBGZPJMESA-N 1 0 379.505 -0.789 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423026133 1072487390 /nfs/dbraw/zinc/48/73/90/1072487390.db2.gz AOFDSZJTKAYYQQ-LJQANCHMSA-N 1 0 379.505 -0.789 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423026302 1072487437 /nfs/dbraw/zinc/48/74/37/1072487437.db2.gz QAVFLYFEVPSWLZ-INIZCTEOSA-N 1 0 387.484 -0.109 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423026303 1072487404 /nfs/dbraw/zinc/48/74/04/1072487404.db2.gz QAVFLYFEVPSWLZ-MRXNPFEDSA-N 1 0 387.484 -0.109 20 0 GBADRO Cc1cc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)nc(C(C)C)n1 ZINC000423026381 1072487445 /nfs/dbraw/zinc/48/74/45/1072487445.db2.gz AZLQGMRTVOWAMM-HNNXBMFYSA-N 1 0 390.488 -0.257 20 0 GBADRO Cc1cc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)nc(C(C)C)n1 ZINC000423026382 1072487752 /nfs/dbraw/zinc/48/77/52/1072487752.db2.gz AZLQGMRTVOWAMM-OAHLLOKOSA-N 1 0 390.488 -0.257 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423026441 1072487765 /nfs/dbraw/zinc/48/77/65/1072487765.db2.gz BGABRWYGKICVAA-IYBDPMFKSA-N 1 0 379.505 -0.648 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000423026509 1072488554 /nfs/dbraw/zinc/48/85/54/1072488554.db2.gz QCMFPTFBVWTDTL-UHFFFAOYSA-N 1 0 377.420 -0.660 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423026952 1072488520 /nfs/dbraw/zinc/48/85/20/1072488520.db2.gz QNXOTOBLLYEFGP-INIZCTEOSA-N 1 0 391.447 -0.271 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000423026953 1072488566 /nfs/dbraw/zinc/48/85/66/1072488566.db2.gz QNXOTOBLLYEFGP-MRXNPFEDSA-N 1 0 391.447 -0.271 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000423027112 1072488534 /nfs/dbraw/zinc/48/85/34/1072488534.db2.gz OHGHXOSZNDVRPP-ZWKOTPCHSA-N 1 0 399.495 -0.638 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423027517 1072488549 /nfs/dbraw/zinc/48/85/49/1072488549.db2.gz DKBXKULMQRCCFC-UHFFFAOYSA-N 1 0 381.521 -0.399 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000423027604 1072488659 /nfs/dbraw/zinc/48/86/59/1072488659.db2.gz DPTYSLFLMYSKDS-AWEZNQCLSA-N 1 0 398.460 -0.392 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000423027606 1072488610 /nfs/dbraw/zinc/48/86/10/1072488610.db2.gz DPTYSLFLMYSKDS-CQSZACIVSA-N 1 0 398.460 -0.392 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423027611 1072488604 /nfs/dbraw/zinc/48/86/04/1072488604.db2.gz DRLYJUWOYARJLZ-AWEZNQCLSA-N 1 0 383.493 -0.986 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423027614 1072488594 /nfs/dbraw/zinc/48/85/94/1072488594.db2.gz DRLYJUWOYARJLZ-CQSZACIVSA-N 1 0 383.493 -0.986 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000423027622 1072488387 /nfs/dbraw/zinc/48/83/87/1072488387.db2.gz RQTWHVOEBOGFBV-UHFFFAOYSA-N 1 0 393.875 -0.146 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000423027697 1072488347 /nfs/dbraw/zinc/48/83/47/1072488347.db2.gz RTGQBXVPQCZQKH-UHFFFAOYSA-N 1 0 391.447 -0.142 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000423027884 1072488419 /nfs/dbraw/zinc/48/84/19/1072488419.db2.gz FJAKSOIDTAEHQN-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423027898 1072488509 /nfs/dbraw/zinc/48/85/09/1072488509.db2.gz FKMHWHAKORMQKO-BBWFWOEESA-N 1 0 393.532 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423027899 1072488562 /nfs/dbraw/zinc/48/85/62/1072488562.db2.gz FKMHWHAKORMQKO-GVDBMIGSSA-N 1 0 393.532 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423027900 1072488455 /nfs/dbraw/zinc/48/84/55/1072488455.db2.gz FKMHWHAKORMQKO-ULQDDVLXSA-N 1 0 393.532 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423027901 1072488402 /nfs/dbraw/zinc/48/84/02/1072488402.db2.gz FKMHWHAKORMQKO-YESZJQIVSA-N 1 0 393.532 -0.415 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000423028019 1072488186 /nfs/dbraw/zinc/48/81/86/1072488186.db2.gz FLGYWTGEXWLLKR-HNNXBMFYSA-N 1 0 391.472 -0.763 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000423028020 1072488358 /nfs/dbraw/zinc/48/83/58/1072488358.db2.gz FLGYWTGEXWLLKR-OAHLLOKOSA-N 1 0 391.472 -0.763 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423028399 1072488380 /nfs/dbraw/zinc/48/83/80/1072488380.db2.gz GLNGJZUQZBNJOM-CVEARBPZSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423028400 1072488367 /nfs/dbraw/zinc/48/83/67/1072488367.db2.gz GLNGJZUQZBNJOM-HOTGVXAUSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423028401 1072488462 /nfs/dbraw/zinc/48/84/62/1072488462.db2.gz GLNGJZUQZBNJOM-HZPDHXFCSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423028402 1072488528 /nfs/dbraw/zinc/48/85/28/1072488528.db2.gz GLNGJZUQZBNJOM-JKSUJKDBSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423028570 1072488470 /nfs/dbraw/zinc/48/84/70/1072488470.db2.gz GSHZGIUIOKWBCE-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO O=C(C(=O)N1CCN(Cc2ccco2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423028828 1072488584 /nfs/dbraw/zinc/48/85/84/1072488584.db2.gz HFAOMRMAMHJCFN-INIZCTEOSA-N 1 0 375.473 -0.570 20 0 GBADRO O=C(C(=O)N1CCN(Cc2ccco2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423028835 1072488541 /nfs/dbraw/zinc/48/85/41/1072488541.db2.gz HFAOMRMAMHJCFN-MRXNPFEDSA-N 1 0 375.473 -0.570 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423029582 1072488480 /nfs/dbraw/zinc/48/84/80/1072488480.db2.gz ILMFRFDVLFDIDY-CVEARBPZSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423029583 1072489095 /nfs/dbraw/zinc/48/90/95/1072489095.db2.gz ILMFRFDVLFDIDY-HOTGVXAUSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423029584 1072489346 /nfs/dbraw/zinc/48/93/46/1072489346.db2.gz ILMFRFDVLFDIDY-HZPDHXFCSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423029585 1072489320 /nfs/dbraw/zinc/48/93/20/1072489320.db2.gz ILMFRFDVLFDIDY-JKSUJKDBSA-N 1 0 379.505 -0.933 20 0 GBADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000423029591 1072489264 /nfs/dbraw/zinc/48/92/64/1072489264.db2.gz INOKFPGHTKZKKL-KRWDZBQOSA-N 1 0 393.532 -0.270 20 0 GBADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000423029592 1072489221 /nfs/dbraw/zinc/48/92/21/1072489221.db2.gz INOKFPGHTKZKKL-QGZVFWFLSA-N 1 0 393.532 -0.270 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423029878 1072488240 /nfs/dbraw/zinc/48/82/40/1072488240.db2.gz IXBYEJHXLYCGHA-KRWDZBQOSA-N 1 0 393.532 -0.399 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423029879 1072488409 /nfs/dbraw/zinc/48/84/09/1072488409.db2.gz IXBYEJHXLYCGHA-QGZVFWFLSA-N 1 0 393.532 -0.399 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423029888 1072488631 /nfs/dbraw/zinc/48/86/31/1072488631.db2.gz IXVPCUYYCYIMJE-FQEVSTJZSA-N 1 0 393.532 -0.399 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423029889 1072488208 /nfs/dbraw/zinc/48/82/08/1072488208.db2.gz IXVPCUYYCYIMJE-HXUWFJFHSA-N 1 0 393.532 -0.399 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000423030123 1072488648 /nfs/dbraw/zinc/48/86/48/1072488648.db2.gz JDEJPCLFZOLOAD-INIZCTEOSA-N 1 0 375.473 -0.570 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000423030124 1072488291 /nfs/dbraw/zinc/48/82/91/1072488291.db2.gz JDEJPCLFZOLOAD-MRXNPFEDSA-N 1 0 375.473 -0.570 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423030134 1072488492 /nfs/dbraw/zinc/48/84/92/1072488492.db2.gz JDZLWYTWCRUJIO-KRWDZBQOSA-N 1 0 395.548 -0.025 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423030135 1072488450 /nfs/dbraw/zinc/48/84/50/1072488450.db2.gz JDZLWYTWCRUJIO-QGZVFWFLSA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC1 ZINC000423030150 1072488226 /nfs/dbraw/zinc/48/82/26/1072488226.db2.gz JFWXNDIWKJKBPI-UHFFFAOYSA-N 1 0 381.521 -0.543 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000423030225 1072488414 /nfs/dbraw/zinc/48/84/14/1072488414.db2.gz VSKSOPGFXDCMHS-UHFFFAOYSA-N 1 0 381.864 -0.160 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423030230 1072488504 /nfs/dbraw/zinc/48/85/04/1072488504.db2.gz VSNSTOZHSQLOHZ-UHFFFAOYSA-N 1 0 375.473 -0.251 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423030266 1072488253 /nfs/dbraw/zinc/48/82/53/1072488253.db2.gz VWGJYOCWAHDPGG-UHFFFAOYSA-N 1 0 387.484 -0.182 20 0 GBADRO O=C(C(=O)N1CCN(CCc2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423030378 1072488329 /nfs/dbraw/zinc/48/83/29/1072488329.db2.gz BROAAUWMLIUZOS-FQEVSTJZSA-N 1 0 399.539 -0.121 20 0 GBADRO O=C(C(=O)N1CCN(CCc2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423030379 1072488425 /nfs/dbraw/zinc/48/84/25/1072488425.db2.gz BROAAUWMLIUZOS-HXUWFJFHSA-N 1 0 399.539 -0.121 20 0 GBADRO CN(CCOc1ccccc1F)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423030476 1072488513 /nfs/dbraw/zinc/48/85/13/1072488513.db2.gz JXVAOTKRQSNAEZ-AWEZNQCLSA-N 1 0 394.447 -0.024 20 0 GBADRO CN(CCOc1ccccc1F)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423030477 1072488621 /nfs/dbraw/zinc/48/86/21/1072488621.db2.gz JXVAOTKRQSNAEZ-CQSZACIVSA-N 1 0 394.447 -0.024 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000423030827 1072489294 /nfs/dbraw/zinc/48/92/94/1072489294.db2.gz WLLKIVSYWNFNSG-CYBMUJFWSA-N 1 0 393.875 -0.018 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000423030828 1072489083 /nfs/dbraw/zinc/48/90/83/1072489083.db2.gz WLLKIVSYWNFNSG-ZDUSSCGKSA-N 1 0 393.875 -0.018 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000423031924 1072489092 /nfs/dbraw/zinc/48/90/92/1072489092.db2.gz LRDWYOGIPBJABO-KRWDZBQOSA-N 1 0 393.532 -0.399 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000423031925 1072489076 /nfs/dbraw/zinc/48/90/76/1072489076.db2.gz LRDWYOGIPBJABO-QGZVFWFLSA-N 1 0 393.532 -0.399 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423031936 1072489104 /nfs/dbraw/zinc/48/91/04/1072489104.db2.gz LTAQSSSBPCGJIN-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423032419 1072489065 /nfs/dbraw/zinc/48/90/65/1072489065.db2.gz MPPPNQVSIRAHRM-HNNXBMFYSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423032420 1072489047 /nfs/dbraw/zinc/48/90/47/1072489047.db2.gz MPPPNQVSIRAHRM-OAHLLOKOSA-N 1 0 381.521 -0.415 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1C ZINC000423032775 1072489315 /nfs/dbraw/zinc/48/93/15/1072489315.db2.gz YQIFHNJKKBJQRP-INIZCTEOSA-N 1 0 387.484 -0.054 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1C ZINC000423032776 1072489187 /nfs/dbraw/zinc/48/91/87/1072489187.db2.gz YQIFHNJKKBJQRP-MRXNPFEDSA-N 1 0 387.484 -0.054 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423032871 1072489063 /nfs/dbraw/zinc/48/90/63/1072489063.db2.gz NIBHWOFVVWTCRR-CVEARBPZSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423032872 1072489155 /nfs/dbraw/zinc/48/91/55/1072489155.db2.gz NIBHWOFVVWTCRR-HOTGVXAUSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423032873 1072489025 /nfs/dbraw/zinc/48/90/25/1072489025.db2.gz NIBHWOFVVWTCRR-HZPDHXFCSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423032874 1072489246 /nfs/dbraw/zinc/48/92/46/1072489246.db2.gz NIBHWOFVVWTCRR-JKSUJKDBSA-N 1 0 381.521 -0.415 20 0 GBADRO Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1C ZINC000423033231 1072489375 /nfs/dbraw/zinc/48/93/75/1072489375.db2.gz ZFXLOFZOUUQQHU-UHFFFAOYSA-N 1 0 375.473 -0.197 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423033652 1072489240 /nfs/dbraw/zinc/48/92/40/1072489240.db2.gz OUPPCHDZUNIDRH-DNVCBOLYSA-N 1 0 381.521 -0.558 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423034410 1072489198 /nfs/dbraw/zinc/48/91/98/1072489198.db2.gz PWHNEJDYMLVXIW-CVEARBPZSA-N 1 0 379.505 -0.791 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423034411 1072489206 /nfs/dbraw/zinc/48/92/06/1072489206.db2.gz PWHNEJDYMLVXIW-HOTGVXAUSA-N 1 0 379.505 -0.791 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423034412 1072489054 /nfs/dbraw/zinc/48/90/54/1072489054.db2.gz PWHNEJDYMLVXIW-HZPDHXFCSA-N 1 0 379.505 -0.791 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423034413 1072489060 /nfs/dbraw/zinc/48/90/60/1072489060.db2.gz PWHNEJDYMLVXIW-JKSUJKDBSA-N 1 0 379.505 -0.791 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000423034521 1072489402 /nfs/dbraw/zinc/48/94/02/1072489402.db2.gz HYJNHAUXXMOONP-GFCCVEGCSA-N 1 0 393.410 -0.994 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000423034522 1072489394 /nfs/dbraw/zinc/48/93/94/1072489394.db2.gz HYJNHAUXXMOONP-LBPRGKRZSA-N 1 0 393.410 -0.994 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423035202 1072489390 /nfs/dbraw/zinc/48/93/90/1072489390.db2.gz RCAUZBXPEOOTHH-UHFFFAOYSA-N 1 0 381.521 -0.414 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000423035207 1072489140 /nfs/dbraw/zinc/48/91/40/1072489140.db2.gz RCUNYUJHORICJO-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000423035208 1072489282 /nfs/dbraw/zinc/48/92/82/1072489282.db2.gz RCUNYUJHORICJO-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423035501 1072489276 /nfs/dbraw/zinc/48/92/76/1072489276.db2.gz RNKMMENLJJPTTE-INIZCTEOSA-N 1 0 381.521 -0.414 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423035502 1072489031 /nfs/dbraw/zinc/48/90/31/1072489031.db2.gz RNKMMENLJJPTTE-MRXNPFEDSA-N 1 0 381.521 -0.414 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423035704 1072489124 /nfs/dbraw/zinc/48/91/24/1072489124.db2.gz JSOLRMYKSSPDNJ-DOTOQJQBSA-N 1 0 378.448 -0.131 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423035883 1072489171 /nfs/dbraw/zinc/48/91/71/1072489171.db2.gz SHVBJXKFTNOPDU-FQEVSTJZSA-N 1 0 393.532 -0.270 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423035884 1072489113 /nfs/dbraw/zinc/48/91/13/1072489113.db2.gz SHVBJXKFTNOPDU-HXUWFJFHSA-N 1 0 393.532 -0.270 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423035887 1072489210 /nfs/dbraw/zinc/48/92/10/1072489210.db2.gz SIMAYMQXMPXTEL-CVEARBPZSA-N 1 0 381.521 -0.558 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423035888 1072489365 /nfs/dbraw/zinc/48/93/65/1072489365.db2.gz SIMAYMQXMPXTEL-HOTGVXAUSA-N 1 0 381.521 -0.558 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423035889 1072489163 /nfs/dbraw/zinc/48/91/63/1072489163.db2.gz SIMAYMQXMPXTEL-HZPDHXFCSA-N 1 0 381.521 -0.558 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423035890 1072489226 /nfs/dbraw/zinc/48/92/26/1072489226.db2.gz SIMAYMQXMPXTEL-JKSUJKDBSA-N 1 0 381.521 -0.558 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1)NC1CC1 ZINC000423036144 1072489252 /nfs/dbraw/zinc/48/92/52/1072489252.db2.gz ZZJJNLYLHCZIQM-INIZCTEOSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1)NC1CC1 ZINC000423036145 1072489337 /nfs/dbraw/zinc/48/93/37/1072489337.db2.gz ZZJJNLYLHCZIQM-MRXNPFEDSA-N 1 0 391.516 -0.743 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000423036225 1072977310 /nfs/dbraw/zinc/97/73/10/1072977310.db2.gz AGRSUQGXFBCXJP-HOTGVXAUSA-N 1 0 381.521 -0.687 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000423036227 1072977444 /nfs/dbraw/zinc/97/74/44/1072977444.db2.gz AGRSUQGXFBCXJP-HZPDHXFCSA-N 1 0 381.521 -0.687 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000423036231 1072977409 /nfs/dbraw/zinc/97/74/09/1072977409.db2.gz AGRSUQGXFBCXJP-IYBDPMFKSA-N 1 0 381.521 -0.687 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000423036655 1072490262 /nfs/dbraw/zinc/49/02/62/1072490262.db2.gz UIUSHANWGIAHHU-UHFFFAOYSA-N 1 0 386.449 -0.534 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000423036675 1072490284 /nfs/dbraw/zinc/49/02/84/1072490284.db2.gz UNPDFMVVETZVHM-INIZCTEOSA-N 1 0 381.521 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000423036676 1072490256 /nfs/dbraw/zinc/49/02/56/1072490256.db2.gz UNPDFMVVETZVHM-MRXNPFEDSA-N 1 0 381.521 -0.543 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423036724 1072490167 /nfs/dbraw/zinc/49/01/67/1072490167.db2.gz UQQKQTGOTLXWCH-OXQOHEQNSA-N 1 0 393.532 -0.414 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000423036795 1072489069 /nfs/dbraw/zinc/48/90/69/1072489069.db2.gz UVSZPBLKVZRJRP-GOSISDBHSA-N 1 0 386.500 -0.768 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000423036798 1072489100 /nfs/dbraw/zinc/48/91/00/1072489100.db2.gz UVSZPBLKVZRJRP-SFHVURJKSA-N 1 0 386.500 -0.768 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423036867 1072489984 /nfs/dbraw/zinc/48/99/84/1072489984.db2.gz VBGPJAVMDCFLNW-INIZCTEOSA-N 1 0 379.505 -0.517 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000423036868 1072489903 /nfs/dbraw/zinc/48/99/03/1072489903.db2.gz VBGPJAVMDCFLNW-MRXNPFEDSA-N 1 0 379.505 -0.517 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000423037017 1072489036 /nfs/dbraw/zinc/48/90/36/1072489036.db2.gz AZTGAJSKHLHUMJ-ULQDDVLXSA-N 1 0 393.532 -0.545 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423037024 1072489299 /nfs/dbraw/zinc/48/92/99/1072489299.db2.gz AZTGAJSKHLHUMJ-YESZJQIVSA-N 1 0 393.532 -0.545 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423037529 1072490224 /nfs/dbraw/zinc/49/02/24/1072490224.db2.gz WHTLJYMYBIMCON-UHFFFAOYSA-N 1 0 395.548 -0.024 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000423037738 1072490248 /nfs/dbraw/zinc/49/02/48/1072490248.db2.gz XAICPJYQHLSYNI-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000423038083 1072489942 /nfs/dbraw/zinc/48/99/42/1072489942.db2.gz CLGJUPXOOFNVKK-AWEZNQCLSA-N 1 0 398.485 -0.010 20 0 GBADRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000423038084 1072490218 /nfs/dbraw/zinc/49/02/18/1072490218.db2.gz CLGJUPXOOFNVKK-CQSZACIVSA-N 1 0 398.485 -0.010 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423038356 1072490270 /nfs/dbraw/zinc/49/02/70/1072490270.db2.gz YLTHITSXEQFRPK-INIZCTEOSA-N 1 0 383.537 -0.169 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423038357 1072490237 /nfs/dbraw/zinc/49/02/37/1072490237.db2.gz YLTHITSXEQFRPK-MRXNPFEDSA-N 1 0 383.537 -0.169 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423038661 1072489994 /nfs/dbraw/zinc/48/99/94/1072489994.db2.gz YXXBAZKMHMZRMS-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)oc1C ZINC000423039129 1072490242 /nfs/dbraw/zinc/49/02/42/1072490242.db2.gz PUEZIVJHMOBTTR-AWEZNQCLSA-N 1 0 392.456 -0.161 20 0 GBADRO COC(=O)c1cc(CN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)oc1C ZINC000423039130 1072490280 /nfs/dbraw/zinc/49/02/80/1072490280.db2.gz PUEZIVJHMOBTTR-CQSZACIVSA-N 1 0 392.456 -0.161 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000423040174 1072490059 /nfs/dbraw/zinc/49/00/59/1072490059.db2.gz GTPQWNBVLCERSI-BBWFWOEESA-N 1 0 393.532 -0.415 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000423040175 1072490153 /nfs/dbraw/zinc/49/01/53/1072490153.db2.gz GTPQWNBVLCERSI-ZACQAIPSSA-N 1 0 393.532 -0.415 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423040231 1072489957 /nfs/dbraw/zinc/48/99/57/1072489957.db2.gz SQISGEWVSKWJQO-DLBZAZTESA-N 1 0 378.448 -0.131 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000423040455 1072490171 /nfs/dbraw/zinc/49/01/71/1072490171.db2.gz HDQFRIIMEQQULL-CALCHBBNSA-N 1 0 395.548 -0.297 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000423040456 1072490220 /nfs/dbraw/zinc/49/02/20/1072490220.db2.gz HDQFRIIMEQQULL-IAGOWNOFSA-N 1 0 395.548 -0.297 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000423040457 1072490215 /nfs/dbraw/zinc/49/02/15/1072490215.db2.gz HDQFRIIMEQQULL-IRXDYDNUSA-N 1 0 395.548 -0.297 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC[NH2+]1 ZINC000423040568 1072490019 /nfs/dbraw/zinc/49/00/19/1072490019.db2.gz URZODRZTXPQTCJ-AWEZNQCLSA-N 1 0 397.483 -0.324 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC[NH2+]1 ZINC000423040569 1072490234 /nfs/dbraw/zinc/49/02/34/1072490234.db2.gz URZODRZTXPQTCJ-CQSZACIVSA-N 1 0 397.483 -0.324 20 0 GBADRO CCOc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423041475 1072490230 /nfs/dbraw/zinc/49/02/30/1072490230.db2.gz XKKIRZGKDZOTMM-GOSISDBHSA-N 1 0 390.484 -0.084 20 0 GBADRO CCOc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423041476 1072490089 /nfs/dbraw/zinc/49/00/89/1072490089.db2.gz XKKIRZGKDZOTMM-SFHVURJKSA-N 1 0 390.484 -0.084 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000423041705 1072490200 /nfs/dbraw/zinc/49/02/00/1072490200.db2.gz XTBBLJLNFXREBW-FQEVSTJZSA-N 1 0 399.539 -0.121 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000423041706 1072490251 /nfs/dbraw/zinc/49/02/51/1072490251.db2.gz XTBBLJLNFXREBW-HXUWFJFHSA-N 1 0 399.539 -0.121 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc2ccccc12 ZINC000423042105 1072490072 /nfs/dbraw/zinc/49/00/72/1072490072.db2.gz YQBXSSAXXOLNAO-CQSZACIVSA-N 1 0 397.483 -0.194 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000423042357 1072490246 /nfs/dbraw/zinc/49/02/46/1072490246.db2.gz KTIGTEHNVBUHFS-HRCADAONSA-N 1 0 379.505 -0.805 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C1 ZINC000423042358 1072490227 /nfs/dbraw/zinc/49/02/27/1072490227.db2.gz KTIGTEHNVBUHFS-JYJNAYRXSA-N 1 0 379.505 -0.805 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423043244 1072490852 /nfs/dbraw/zinc/49/08/52/1072490852.db2.gz OAAYZJFKJYFAEP-CYBMUJFWSA-N 1 0 399.473 -0.926 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423043245 1072490950 /nfs/dbraw/zinc/49/09/50/1072490950.db2.gz OAAYZJFKJYFAEP-ZDUSSCGKSA-N 1 0 399.473 -0.926 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423043571 1072490978 /nfs/dbraw/zinc/49/09/78/1072490978.db2.gz PCMGKLWYDNIRMP-HOTGVXAUSA-N 1 0 379.505 -0.933 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423043572 1072490905 /nfs/dbraw/zinc/49/09/05/1072490905.db2.gz PCMGKLWYDNIRMP-HZPDHXFCSA-N 1 0 379.505 -0.933 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423043573 1072491002 /nfs/dbraw/zinc/49/10/02/1072491002.db2.gz PCMGKLWYDNIRMP-IYBDPMFKSA-N 1 0 379.505 -0.933 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000423044334 1072491040 /nfs/dbraw/zinc/49/10/40/1072491040.db2.gz AGXJTHSTKQKKKR-KRWDZBQOSA-N 1 0 387.484 -0.603 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000423044342 1072491159 /nfs/dbraw/zinc/49/11/59/1072491159.db2.gz AGXJTHSTKQKKKR-QGZVFWFLSA-N 1 0 387.484 -0.603 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423044365 1072490764 /nfs/dbraw/zinc/49/07/64/1072490764.db2.gz AJLSOAJZHIKNAC-INIZCTEOSA-N 1 0 387.484 -0.163 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423044366 1072491105 /nfs/dbraw/zinc/49/11/05/1072491105.db2.gz AJLSOAJZHIKNAC-MRXNPFEDSA-N 1 0 387.484 -0.163 20 0 GBADRO CN(CCOc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 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GBJGIWVKLIZWLY-ZRGWGRIASA-N 1 0 380.489 -0.473 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423047500 1073490231 /nfs/dbraw/zinc/49/02/31/1073490231.db2.gz HFEQMTASEPYWJD-KUHUBIRLSA-N 1 0 377.489 -0.848 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423047508 1073490221 /nfs/dbraw/zinc/49/02/21/1073490221.db2.gz HFEQMTASEPYWJD-LIRRHRJNSA-N 1 0 377.489 -0.848 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H](C)[NH2+]1 ZINC000423047545 1072487809 /nfs/dbraw/zinc/48/78/09/1072487809.db2.gz GPCPUDUBEUWMGD-BETUJISGSA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)[NH2+]1 ZINC000423047546 1072487495 /nfs/dbraw/zinc/48/74/95/1072487495.db2.gz GPCPUDUBEUWMGD-CHWSQXEVSA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H](C)[NH2+]1 ZINC000423047548 1072487680 /nfs/dbraw/zinc/48/76/80/1072487680.db2.gz GPCPUDUBEUWMGD-STQMWFEESA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423048015 1072487646 /nfs/dbraw/zinc/48/76/46/1072487646.db2.gz HLULPGUMJNJRSP-FQEVSTJZSA-N 1 0 387.484 -0.033 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423048018 1072487490 /nfs/dbraw/zinc/48/74/90/1072487490.db2.gz HLULPGUMJNJRSP-HXUWFJFHSA-N 1 0 387.484 -0.033 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000423048020 1072487651 /nfs/dbraw/zinc/48/76/51/1072487651.db2.gz HLWFZGIENJNEGF-KRWDZBQOSA-N 1 0 387.484 -0.733 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000423048024 1072487422 /nfs/dbraw/zinc/48/74/22/1072487422.db2.gz HLWFZGIENJNEGF-QGZVFWFLSA-N 1 0 387.484 -0.733 20 0 GBADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000423048536 1072487704 /nfs/dbraw/zinc/48/77/04/1072487704.db2.gz WSZNEMHYGHPWTA-NEPJUHHUSA-N 1 0 384.458 -0.401 20 0 GBADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000423048537 1072487564 /nfs/dbraw/zinc/48/75/64/1072487564.db2.gz WSZNEMHYGHPWTA-NWDGAFQWSA-N 1 0 384.458 -0.401 20 0 GBADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000423048538 1072487699 /nfs/dbraw/zinc/48/76/99/1072487699.db2.gz WSZNEMHYGHPWTA-RYUDHWBXSA-N 1 0 384.458 -0.401 20 0 GBADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000423048539 1072487542 /nfs/dbraw/zinc/48/75/42/1072487542.db2.gz WSZNEMHYGHPWTA-VXGBXAGGSA-N 1 0 384.458 -0.401 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423048959 1072487780 /nfs/dbraw/zinc/48/77/80/1072487780.db2.gz JLTSJSFARDTPAM-BIENJYKASA-N 1 0 379.505 -0.759 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423048960 1072487692 /nfs/dbraw/zinc/48/76/92/1072487692.db2.gz JLTSJSFARDTPAM-PJIJBLCYSA-N 1 0 379.505 -0.759 20 0 GBADRO O=C(C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CC[NH2+]CC1 ZINC000423048972 1072487635 /nfs/dbraw/zinc/48/76/35/1072487635.db2.gz JMNDTTSLFUCCOE-UHFFFAOYSA-N 1 0 390.469 -0.126 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423049613 1072494457 /nfs/dbraw/zinc/49/44/57/1072494457.db2.gz JYSVMCZDMRIMBU-UHFFFAOYSA-N 1 0 389.500 -0.485 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423049705 1072494652 /nfs/dbraw/zinc/49/46/52/1072494652.db2.gz KLJCLBUGENBKKA-AUUYWEPGSA-N 1 0 377.489 -0.990 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423049706 1072494488 /nfs/dbraw/zinc/49/44/88/1072494488.db2.gz KLJCLBUGENBKKA-IFXJQAMLSA-N 1 0 377.489 -0.990 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423049707 1072494602 /nfs/dbraw/zinc/49/46/02/1072494602.db2.gz KLJCLBUGENBKKA-KUHUBIRLSA-N 1 0 377.489 -0.990 20 0 GBADRO 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-0.617 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423050544 1072494492 /nfs/dbraw/zinc/49/44/92/1072494492.db2.gz MCYGPBJPHCPIBI-FOIQADDNSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423050545 1072494576 /nfs/dbraw/zinc/49/45/76/1072494576.db2.gz MCYGPBJPHCPIBI-MGPUTAFESA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423050546 1072494661 /nfs/dbraw/zinc/49/46/61/1072494661.db2.gz MCYGPBJPHCPIBI-QRWLVFNGSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423050547 1072494619 /nfs/dbraw/zinc/49/46/19/1072494619.db2.gz MCYGPBJPHCPIBI-YWZLYKJASA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423050548 1072494416 /nfs/dbraw/zinc/49/44/16/1072494416.db2.gz MDSWAHVPWSCFMM-HNNXBMFYSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423050549 1072494495 /nfs/dbraw/zinc/49/44/95/1072494495.db2.gz MDSWAHVPWSCFMM-OAHLLOKOSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423050611 1072495596 /nfs/dbraw/zinc/49/55/96/1072495596.db2.gz LMVFLEOVLNXAPE-IYBDPMFKSA-N 1 0 387.484 -0.022 20 0 GBADRO COc1ccc(CN2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c(OC)c1OC ZINC000423051041 1072495511 /nfs/dbraw/zinc/49/55/11/1072495511.db2.gz ZOVSIZYTGQHMOG-UHFFFAOYSA-N 1 0 394.472 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423051187 1072494596 /nfs/dbraw/zinc/49/45/96/1072494596.db2.gz NMCAJECTBWPHPL-CABCVRRESA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423051188 1072494511 /nfs/dbraw/zinc/49/45/11/1072494511.db2.gz NMCAJECTBWPHPL-GJZGRUSLSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423051189 1072494473 /nfs/dbraw/zinc/49/44/73/1072494473.db2.gz NMCAJECTBWPHPL-HUUCEWRRSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423051190 1072494485 /nfs/dbraw/zinc/49/44/85/1072494485.db2.gz NMCAJECTBWPHPL-LSDHHAIUSA-N 1 0 379.505 -0.615 20 0 GBADRO Cc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC2)n1 ZINC000423051254 1072494606 /nfs/dbraw/zinc/49/46/06/1072494606.db2.gz MTTXAKHNAGWKMV-DLBZAZTESA-N 1 0 398.467 -0.024 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423051293 1072494444 /nfs/dbraw/zinc/49/44/44/1072494444.db2.gz MZSVDSKSADMVNY-NVXWUHKLSA-N 1 0 387.484 -0.747 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000423051683 1072495168 /nfs/dbraw/zinc/49/51/68/1072495168.db2.gz NZPSBADVFZWPAU-IYBDPMFKSA-N 1 0 385.468 -0.553 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423051688 1072495227 /nfs/dbraw/zinc/49/52/27/1072495227.db2.gz OAELNIKBICGKSK-CVEARBPZSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423051689 1072495443 /nfs/dbraw/zinc/49/54/43/1072495443.db2.gz OAELNIKBICGKSK-HOTGVXAUSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423051690 1072495502 /nfs/dbraw/zinc/49/55/02/1072495502.db2.gz OAELNIKBICGKSK-HZPDHXFCSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423051691 1072495281 /nfs/dbraw/zinc/49/52/81/1072495281.db2.gz OAELNIKBICGKSK-JKSUJKDBSA-N 1 0 387.484 -0.035 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000423051770 1072495155 /nfs/dbraw/zinc/49/51/55/1072495155.db2.gz OZLVTZLSCNTXRZ-HNNXBMFYSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000423051771 1072495128 /nfs/dbraw/zinc/49/51/28/1072495128.db2.gz OZLVTZLSCNTXRZ-OAHLLOKOSA-N 1 0 393.532 -0.354 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423052077 1072495333 /nfs/dbraw/zinc/49/53/33/1072495333.db2.gz PBOZOUMRUYHFFO-OKILXGFUSA-N 1 0 398.471 -0.635 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423052241 1072977930 /nfs/dbraw/zinc/97/79/30/1072977930.db2.gz PHVAGGDJEDTJQK-UHFFFAOYSA-N 1 0 375.473 -0.875 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423053169 1072495587 /nfs/dbraw/zinc/49/55/87/1072495587.db2.gz REIUSUFOVZKPNO-KRWDZBQOSA-N 1 0 387.484 -0.020 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000423053170 1072495567 /nfs/dbraw/zinc/49/55/67/1072495567.db2.gz REIUSUFOVZKPNO-QGZVFWFLSA-N 1 0 387.484 -0.020 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)NCc1ccccc1 ZINC000423053199 1072495141 /nfs/dbraw/zinc/49/51/41/1072495141.db2.gz RMFWCIAKUDVEMH-HDICACEKSA-N 1 0 399.495 -0.875 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000423053381 1072495616 /nfs/dbraw/zinc/49/56/16/1072495616.db2.gz RVUUIHIZMNYHKT-CVEARBPZSA-N 1 0 382.505 -0.084 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000423053382 1072495271 /nfs/dbraw/zinc/49/52/71/1072495271.db2.gz RVUUIHIZMNYHKT-HOTGVXAUSA-N 1 0 382.505 -0.084 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000423053383 1072495321 /nfs/dbraw/zinc/49/53/21/1072495321.db2.gz RVUUIHIZMNYHKT-HZPDHXFCSA-N 1 0 382.505 -0.084 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000423053384 1072495087 /nfs/dbraw/zinc/49/50/87/1072495087.db2.gz RVUUIHIZMNYHKT-JKSUJKDBSA-N 1 0 382.505 -0.084 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000423054066 1072495376 /nfs/dbraw/zinc/49/53/76/1072495376.db2.gz SXSDPVUWBUWWAO-UHFFFAOYSA-N 1 0 387.484 -0.020 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423054068 1072495421 /nfs/dbraw/zinc/49/54/21/1072495421.db2.gz SXYDFOKQUKCCSH-DOTOQJQBSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423054070 1072495411 /nfs/dbraw/zinc/49/54/11/1072495411.db2.gz SXYDFOKQUKCCSH-NVXWUHKLSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423054072 1072495607 /nfs/dbraw/zinc/49/56/07/1072495607.db2.gz SXYDFOKQUKCCSH-RDJZCZTQSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423054074 1072495593 /nfs/dbraw/zinc/49/55/93/1072495593.db2.gz SXYDFOKQUKCCSH-WBVHZDCISA-N 1 0 387.484 -0.035 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423054214 1072495148 /nfs/dbraw/zinc/49/51/48/1072495148.db2.gz BMAIZYZQUWFNOE-CABCVRRESA-N 1 0 386.518 -0.672 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423054216 1072495629 /nfs/dbraw/zinc/49/56/29/1072495629.db2.gz BMAIZYZQUWFNOE-GJZGRUSLSA-N 1 0 386.518 -0.672 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423054217 1072495103 /nfs/dbraw/zinc/49/51/03/1072495103.db2.gz BMAIZYZQUWFNOE-HUUCEWRRSA-N 1 0 386.518 -0.672 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423054218 1072495610 /nfs/dbraw/zinc/49/56/10/1072495610.db2.gz BMAIZYZQUWFNOE-LSDHHAIUSA-N 1 0 386.518 -0.672 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423054544 1072491060 /nfs/dbraw/zinc/49/10/60/1072491060.db2.gz UTFQSCSFTGYLQO-DLBZAZTESA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423054546 1072490944 /nfs/dbraw/zinc/49/09/44/1072490944.db2.gz UTFQSCSFTGYLQO-IAGOWNOFSA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000423054547 1072490882 /nfs/dbraw/zinc/49/08/82/1072490882.db2.gz UTFQSCSFTGYLQO-IRXDYDNUSA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000423054548 1072490746 /nfs/dbraw/zinc/49/07/46/1072490746.db2.gz UTFQSCSFTGYLQO-SJORKVTESA-N 1 0 399.495 -0.163 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000423054874 1072491032 /nfs/dbraw/zinc/49/10/32/1072491032.db2.gz VMADZJGOBSDWGW-HNNXBMFYSA-N 1 0 393.532 -0.354 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000423054875 1072490670 /nfs/dbraw/zinc/49/06/70/1072490670.db2.gz VMADZJGOBSDWGW-OAHLLOKOSA-N 1 0 393.532 -0.354 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1)Nc1ccccc1 ZINC000423055105 1072495113 /nfs/dbraw/zinc/49/51/13/1072495113.db2.gz VUERADRMRBRKMM-NRFANRHFSA-N 1 0 399.495 -0.019 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1)Nc1ccccc1 ZINC000423055106 1072495161 /nfs/dbraw/zinc/49/51/61/1072495161.db2.gz VUERADRMRBRKMM-OAQYLSRUSA-N 1 0 399.495 -0.019 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423055522 1072495635 /nfs/dbraw/zinc/49/56/35/1072495635.db2.gz WPAPOGJYRVWZGU-FMKPAKJESA-N 1 0 377.489 -0.992 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423055523 1072495215 /nfs/dbraw/zinc/49/52/15/1072495215.db2.gz WPAPOGJYRVWZGU-IIAWOOMASA-N 1 0 377.489 -0.992 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423055525 1072495236 /nfs/dbraw/zinc/49/52/36/1072495236.db2.gz WPAPOGJYRVWZGU-IJEWVQPXSA-N 1 0 377.489 -0.992 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423055526 1072495621 /nfs/dbraw/zinc/49/56/21/1072495621.db2.gz WPAPOGJYRVWZGU-YCPHGPKFSA-N 1 0 377.489 -0.992 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423055658 1072491188 /nfs/dbraw/zinc/49/11/88/1072491188.db2.gz WFWRPMRCZVWUDZ-DLBZAZTESA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423055660 1072490711 /nfs/dbraw/zinc/49/07/11/1072490711.db2.gz WFWRPMRCZVWUDZ-IAGOWNOFSA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000423055669 1072490660 /nfs/dbraw/zinc/49/06/60/1072490660.db2.gz WFWRPMRCZVWUDZ-IRXDYDNUSA-N 1 0 399.495 -0.163 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000423055671 1072490825 /nfs/dbraw/zinc/49/08/25/1072490825.db2.gz WFWRPMRCZVWUDZ-SJORKVTESA-N 1 0 399.495 -0.163 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423055695 1072491173 /nfs/dbraw/zinc/49/11/73/1072491173.db2.gz WWLVWXZZFBWPNO-HNNXBMFYSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423055698 1072491092 /nfs/dbraw/zinc/49/10/92/1072491092.db2.gz WWLVWXZZFBWPNO-OAHLLOKOSA-N 1 0 391.516 -0.600 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423055748 1072490623 /nfs/dbraw/zinc/49/06/23/1072490623.db2.gz WMUMSNUQHNWVCE-AEFFLSMTSA-N 1 0 399.495 -0.020 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1)Nc1ccccc1 ZINC000423055750 1072490807 /nfs/dbraw/zinc/49/08/07/1072490807.db2.gz WMUMSNUQHNWVCE-FUHWJXTLSA-N 1 0 399.495 -0.020 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1)Nc1ccccc1 ZINC000423055753 1072490770 /nfs/dbraw/zinc/49/07/70/1072490770.db2.gz WMUMSNUQHNWVCE-SJLPKXTDSA-N 1 0 399.495 -0.020 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1)Nc1ccccc1 ZINC000423055755 1072490759 /nfs/dbraw/zinc/49/07/59/1072490759.db2.gz WMUMSNUQHNWVCE-WMZOPIPTSA-N 1 0 399.495 -0.020 20 0 GBADRO O=C(C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)N1CC[NH2+]CC1 ZINC000423055971 1072490727 /nfs/dbraw/zinc/49/07/27/1072490727.db2.gz XIQTUKCORCNBKO-UHFFFAOYSA-N 1 0 384.440 -0.589 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423056237 1072490889 /nfs/dbraw/zinc/49/08/89/1072490889.db2.gz XVAKDFDEJMWWLY-AWEZNQCLSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423056238 1072491081 /nfs/dbraw/zinc/49/10/81/1072491081.db2.gz XVAKDFDEJMWWLY-CQSZACIVSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000423056716 1072492036 /nfs/dbraw/zinc/49/20/36/1072492036.db2.gz YEPLUGCUYOVZRU-INIZCTEOSA-N 1 0 387.484 -0.733 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000423056717 1072492086 /nfs/dbraw/zinc/49/20/86/1072492086.db2.gz YEPLUGCUYOVZRU-MRXNPFEDSA-N 1 0 387.484 -0.733 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 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CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423061141 1072491727 /nfs/dbraw/zinc/49/17/27/1072491727.db2.gz JVZABFPDEZEGEI-INIZCTEOSA-N 1 0 381.521 -0.545 20 0 GBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423061142 1072491775 /nfs/dbraw/zinc/49/17/75/1072491775.db2.gz JVZABFPDEZEGEI-MRXNPFEDSA-N 1 0 381.521 -0.545 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000423061164 1072491979 /nfs/dbraw/zinc/49/19/79/1072491979.db2.gz JZGOZNPRPQWTRQ-AWEZNQCLSA-N 1 0 388.424 -0.351 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000423061165 1072491859 /nfs/dbraw/zinc/49/18/59/1072491859.db2.gz JZGOZNPRPQWTRQ-CQSZACIVSA-N 1 0 388.424 -0.351 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC000423061361 1072492052 /nfs/dbraw/zinc/49/20/52/1072492052.db2.gz KLSNINZEJXGUTO-DLBZAZTESA-N 1 0 388.468 -0.100 20 0 GBADRO 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CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068040 1072493032 /nfs/dbraw/zinc/49/30/32/1072493032.db2.gz AQUIWJBKXQCANY-HOTGVXAUSA-N 1 0 381.521 -0.402 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423068041 1072492958 /nfs/dbraw/zinc/49/29/58/1072492958.db2.gz AQUIWJBKXQCANY-HZPDHXFCSA-N 1 0 381.521 -0.402 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423068042 1072492773 /nfs/dbraw/zinc/49/27/73/1072492773.db2.gz AQUIWJBKXQCANY-IYBDPMFKSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423068156 1072493760 /nfs/dbraw/zinc/49/37/60/1072493760.db2.gz JFAARJLKDVBLSB-JYJNAYRXSA-N 1 0 379.505 -0.887 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423068157 1072493645 /nfs/dbraw/zinc/49/36/45/1072493645.db2.gz JFAARJLKDVBLSB-XHSDSOJGSA-N 1 0 379.505 -0.887 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000423068393 1072493482 /nfs/dbraw/zinc/49/34/82/1072493482.db2.gz BPXJPACHGJPDOI-AWEZNQCLSA-N 1 0 389.456 -0.273 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000423068394 1072493692 /nfs/dbraw/zinc/49/36/92/1072493692.db2.gz BPXJPACHGJPDOI-CQSZACIVSA-N 1 0 389.456 -0.273 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)nc1 ZINC000423068419 1072492928 /nfs/dbraw/zinc/49/29/28/1072492928.db2.gz BUCHYGXZBKPIFH-AWEZNQCLSA-N 1 0 375.429 -0.534 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC000423068420 1072493054 /nfs/dbraw/zinc/49/30/54/1072493054.db2.gz BUCHYGXZBKPIFH-CQSZACIVSA-N 1 0 375.429 -0.534 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423068523 1072492989 /nfs/dbraw/zinc/49/29/89/1072492989.db2.gz KFZCNECUUZKNCV-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423068524 1072492901 /nfs/dbraw/zinc/49/29/01/1072492901.db2.gz KFZCNECUUZKNCV-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)n1 ZINC000423068618 1072493504 /nfs/dbraw/zinc/49/35/04/1072493504.db2.gz CHHVTDIRZHQZNW-UHFFFAOYSA-N 1 0 388.472 -0.264 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)n1 ZINC000423069353 1072493545 /nfs/dbraw/zinc/49/35/45/1072493545.db2.gz DURGESPWCZFCJY-AWEZNQCLSA-N 1 0 378.477 -0.034 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)n1 ZINC000423069361 1072493817 /nfs/dbraw/zinc/49/38/17/1072493817.db2.gz DURGESPWCZFCJY-CQSZACIVSA-N 1 0 378.477 -0.034 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCCO1 ZINC000423069784 1072493782 /nfs/dbraw/zinc/49/37/82/1072493782.db2.gz MCOWCLQPVQKOTC-INIZCTEOSA-N 1 0 392.431 -0.314 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CCCO1 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/nfs/dbraw/zinc/49/36/28/1072493628.db2.gz GMYZIRWLIMEFLY-KRWDZBQOSA-N 1 0 393.532 -0.497 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423070635 1072493700 /nfs/dbraw/zinc/49/37/00/1072493700.db2.gz GMYZIRWLIMEFLY-QGZVFWFLSA-N 1 0 393.532 -0.497 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423070715 1072493674 /nfs/dbraw/zinc/49/36/74/1072493674.db2.gz NMZZCYSFEIKTDK-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423070717 1072493764 /nfs/dbraw/zinc/49/37/64/1072493764.db2.gz NMZZCYSFEIKTDK-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH2+]C)C3)CC2)nc1 ZINC000423070869 1072493449 /nfs/dbraw/zinc/49/34/49/1072493449.db2.gz GSRMCIPMRHXLIB-HNNXBMFYSA-N 1 0 389.456 -0.273 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)CC2)nc1 ZINC000423070870 1072493748 /nfs/dbraw/zinc/49/37/48/1072493748.db2.gz GSRMCIPMRHXLIB-OAHLLOKOSA-N 1 0 389.456 -0.273 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)nc1 ZINC000423070919 1072493514 /nfs/dbraw/zinc/49/35/14/1072493514.db2.gz GZCBYMAQGHMKCU-AWEZNQCLSA-N 1 0 389.456 -0.286 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)nc1 ZINC000423070920 1072493744 /nfs/dbraw/zinc/49/37/44/1072493744.db2.gz GZCBYMAQGHMKCU-CQSZACIVSA-N 1 0 389.456 -0.286 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CCCO1 ZINC000423071539 1072493599 /nfs/dbraw/zinc/49/35/99/1072493599.db2.gz OPJSNRVSOLHKNB-INIZCTEOSA-N 1 0 392.431 -0.314 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CCCO1 ZINC000423071540 1072493562 /nfs/dbraw/zinc/49/35/62/1072493562.db2.gz OPJSNRVSOLHKNB-MRXNPFEDSA-N 1 0 392.431 -0.314 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CCO1 ZINC000423072190 1072493412 /nfs/dbraw/zinc/49/34/12/1072493412.db2.gz PIBFTQTVJQSSPS-HNNXBMFYSA-N 1 0 378.404 -0.704 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CCO1 ZINC000423072192 1072493793 /nfs/dbraw/zinc/49/37/93/1072493793.db2.gz PIBFTQTVJQSSPS-OAHLLOKOSA-N 1 0 378.404 -0.704 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423072257 1072493574 /nfs/dbraw/zinc/49/35/74/1072493574.db2.gz IVZBUPFILMRUQZ-CALCHBBNSA-N 1 0 393.532 -0.258 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000423072273 1072493465 /nfs/dbraw/zinc/49/34/65/1072493465.db2.gz IWSQSBCJPITGIV-UHFFFAOYSA-N 1 0 376.461 -0.408 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423072489 1072493653 /nfs/dbraw/zinc/49/36/53/1072493653.db2.gz JMRVASKJSSYTQK-UHFFFAOYSA-N 1 0 383.537 -0.168 20 0 GBADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423072503 1072493827 /nfs/dbraw/zinc/49/38/27/1072493827.db2.gz PNSXHUXGQJWVKG-GOEBONIOSA-N 1 0 392.431 -0.604 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423072630 1072493767 /nfs/dbraw/zinc/49/37/67/1072493767.db2.gz PYFVXWNZMWZDGY-ARFHVFGLSA-N 1 0 379.505 -0.744 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423072631 1072493801 /nfs/dbraw/zinc/49/38/01/1072493801.db2.gz PYFVXWNZMWZDGY-HRCADAONSA-N 1 0 379.505 -0.744 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423072632 1072493527 /nfs/dbraw/zinc/49/35/27/1072493527.db2.gz PYFVXWNZMWZDGY-JYJNAYRXSA-N 1 0 379.505 -0.744 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423072633 1072493804 /nfs/dbraw/zinc/49/38/04/1072493804.db2.gz PYFVXWNZMWZDGY-XHSDSOJGSA-N 1 0 379.505 -0.744 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000423072748 1072493831 /nfs/dbraw/zinc/49/38/31/1072493831.db2.gz JSTPRVWJFSKRRA-OAHLLOKOSA-N 1 0 389.456 -0.143 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423072750 1072493612 /nfs/dbraw/zinc/49/36/12/1072493612.db2.gz JSYJZWFUBBXFLB-INIZCTEOSA-N 1 0 379.505 -0.743 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423072752 1072493811 /nfs/dbraw/zinc/49/38/11/1072493811.db2.gz JSYJZWFUBBXFLB-MRXNPFEDSA-N 1 0 379.505 -0.743 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423072884 1072493776 /nfs/dbraw/zinc/49/37/76/1072493776.db2.gz QJNOCLJUZGZBGA-ARFHVFGLSA-N 1 0 379.505 -0.887 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423072885 1072493706 /nfs/dbraw/zinc/49/37/06/1072493706.db2.gz QJNOCLJUZGZBGA-HRCADAONSA-N 1 0 379.505 -0.887 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423072886 1072494519 /nfs/dbraw/zinc/49/45/19/1072494519.db2.gz QJNOCLJUZGZBGA-JYJNAYRXSA-N 1 0 379.505 -0.887 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423072887 1072494423 /nfs/dbraw/zinc/49/44/23/1072494423.db2.gz QJNOCLJUZGZBGA-XHSDSOJGSA-N 1 0 379.505 -0.887 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423073235 1072493714 /nfs/dbraw/zinc/49/37/14/1072493714.db2.gz RARORRJUJZNTTQ-BEFAXECRSA-N 1 0 379.505 -0.743 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423073236 1072493735 /nfs/dbraw/zinc/49/37/35/1072493735.db2.gz RARORRJUJZNTTQ-DNVCBOLYSA-N 1 0 379.505 -0.743 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423073237 1072493754 /nfs/dbraw/zinc/49/37/54/1072493754.db2.gz RARORRJUJZNTTQ-HNAYVOBHSA-N 1 0 379.505 -0.743 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423073238 1072493837 /nfs/dbraw/zinc/49/38/37/1072493837.db2.gz RARORRJUJZNTTQ-KXBFYZLASA-N 1 0 379.505 -0.743 20 0 GBADRO COCC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423073740 1072494564 /nfs/dbraw/zinc/49/45/64/1072494564.db2.gz SDPUMKQOABHAJG-JKSUJKDBSA-N 1 0 392.431 -0.604 20 0 GBADRO Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423073860 1072494390 /nfs/dbraw/zinc/49/43/90/1072494390.db2.gz SHBNYUJSCGENNN-KRWDZBQOSA-N 1 0 388.468 -0.144 20 0 GBADRO Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423073861 1072494635 /nfs/dbraw/zinc/49/46/35/1072494635.db2.gz SHBNYUJSCGENNN-QGZVFWFLSA-N 1 0 388.468 -0.144 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CC1 ZINC000423073888 1072494530 /nfs/dbraw/zinc/49/45/30/1072494530.db2.gz SMOYCFPWCPBZCG-INIZCTEOSA-N 1 0 395.548 -0.107 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CC1 ZINC000423073889 1072494481 /nfs/dbraw/zinc/49/44/81/1072494481.db2.gz SMOYCFPWCPBZCG-MRXNPFEDSA-N 1 0 395.548 -0.107 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423074279 1072494628 /nfs/dbraw/zinc/49/46/28/1072494628.db2.gz UHWQGGTWWVEFJD-HRCADAONSA-N 1 0 381.521 -0.511 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423074280 1072494428 /nfs/dbraw/zinc/49/44/28/1072494428.db2.gz UHWQGGTWWVEFJD-JYJNAYRXSA-N 1 0 381.521 -0.511 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423074281 1072494632 /nfs/dbraw/zinc/49/46/32/1072494632.db2.gz UHWQGGTWWVEFJD-OWCLPIDISA-N 1 0 381.521 -0.511 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423074282 1072494668 /nfs/dbraw/zinc/49/46/68/1072494668.db2.gz UHWQGGTWWVEFJD-PMPSAXMXSA-N 1 0 381.521 -0.511 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCCO1 ZINC000423074954 1072494603 /nfs/dbraw/zinc/49/46/03/1072494603.db2.gz VSFTWPAZBIGPHW-KRWDZBQOSA-N 1 0 388.468 -0.524 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCCO1 ZINC000423074955 1072494348 /nfs/dbraw/zinc/49/43/48/1072494348.db2.gz VSFTWPAZBIGPHW-QGZVFWFLSA-N 1 0 388.468 -0.524 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423074995 1072494598 /nfs/dbraw/zinc/49/45/98/1072494598.db2.gz VZUPDCJQXNRKKC-LUKYLMHMSA-N 1 0 393.532 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423074996 1072494372 /nfs/dbraw/zinc/49/43/72/1072494372.db2.gz VZUPDCJQXNRKKC-MWDXBVQZSA-N 1 0 393.532 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423074997 1072494383 /nfs/dbraw/zinc/49/43/83/1072494383.db2.gz VZUPDCJQXNRKKC-NXOAAHMSSA-N 1 0 393.532 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423074998 1072494582 /nfs/dbraw/zinc/49/45/82/1072494582.db2.gz VZUPDCJQXNRKKC-QAETUUGQSA-N 1 0 393.532 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423075048 1072494399 /nfs/dbraw/zinc/49/43/99/1072494399.db2.gz WEPUMTNISNZCJQ-HRCADAONSA-N 1 0 379.505 -0.602 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423075049 1072494360 /nfs/dbraw/zinc/49/43/60/1072494360.db2.gz WEPUMTNISNZCJQ-OAGGEKHMSA-N 1 0 379.505 -0.602 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423076015 1072498219 /nfs/dbraw/zinc/49/82/19/1072498219.db2.gz YEZIBWMSMQAHBT-SPYBWZPUSA-N 1 0 381.521 -0.511 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423076017 1072498531 /nfs/dbraw/zinc/49/85/31/1072498531.db2.gz YEZIBWMSMQAHBT-ZRGWGRIASA-N 1 0 381.521 -0.511 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423076164 1072493616 /nfs/dbraw/zinc/49/36/16/1072493616.db2.gz YHTBPXCOVNVSBZ-MSOLQXFVSA-N 1 0 384.480 -0.032 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423076165 1072494438 /nfs/dbraw/zinc/49/44/38/1072494438.db2.gz YHTBPXCOVNVSBZ-QZTJIDSGSA-N 1 0 384.480 -0.032 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423076166 1072494451 /nfs/dbraw/zinc/49/44/51/1072494451.db2.gz YHTBPXCOVNVSBZ-ROUUACIJSA-N 1 0 384.480 -0.032 20 0 GBADRO O=C(Cc1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423076167 1072494544 /nfs/dbraw/zinc/49/45/44/1072494544.db2.gz YHTBPXCOVNVSBZ-ZWKOTPCHSA-N 1 0 384.480 -0.032 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423076384 1073491688 /nfs/dbraw/zinc/49/16/88/1073491688.db2.gz YYBGOGFVXOPJPA-HNAYVOBHSA-N 1 0 379.505 -0.600 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423076385 1073491271 /nfs/dbraw/zinc/49/12/71/1073491271.db2.gz YYBGOGFVXOPJPA-KXBFYZLASA-N 1 0 379.505 -0.600 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CCO1 ZINC000423076732 1072495119 /nfs/dbraw/zinc/49/51/19/1072495119.db2.gz RVDDEGAPYUQPGU-INIZCTEOSA-N 1 0 380.489 -0.186 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CCO1 ZINC000423076733 1072495613 /nfs/dbraw/zinc/49/56/13/1072495613.db2.gz RVDDEGAPYUQPGU-MRXNPFEDSA-N 1 0 380.489 -0.186 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423076973 1072495622 /nfs/dbraw/zinc/49/56/22/1072495622.db2.gz KUVNWVPRPSKGCY-CVEARBPZSA-N 1 0 379.505 -0.885 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423076974 1072495431 /nfs/dbraw/zinc/49/54/31/1072495431.db2.gz KUVNWVPRPSKGCY-HOTGVXAUSA-N 1 0 379.505 -0.885 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423076975 1072495655 /nfs/dbraw/zinc/49/56/55/1072495655.db2.gz KUVNWVPRPSKGCY-HZPDHXFCSA-N 1 0 379.505 -0.885 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423076976 1072495560 /nfs/dbraw/zinc/49/55/60/1072495560.db2.gz KUVNWVPRPSKGCY-JKSUJKDBSA-N 1 0 379.505 -0.885 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076981 1072495573 /nfs/dbraw/zinc/49/55/73/1072495573.db2.gz KWDDLRFQPHNWDY-DLBZAZTESA-N 1 0 395.548 -0.168 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423076982 1072495458 /nfs/dbraw/zinc/49/54/58/1072495458.db2.gz KWDDLRFQPHNWDY-IAGOWNOFSA-N 1 0 395.548 -0.168 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076983 1072495641 /nfs/dbraw/zinc/49/56/41/1072495641.db2.gz KWDDLRFQPHNWDY-IRXDYDNUSA-N 1 0 395.548 -0.168 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423076984 1072495529 /nfs/dbraw/zinc/49/55/29/1072495529.db2.gz KWDDLRFQPHNWDY-SJORKVTESA-N 1 0 395.548 -0.168 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)n1 ZINC000423076999 1072495249 /nfs/dbraw/zinc/49/52/49/1072495249.db2.gz KYYXVYQRZPVFHM-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)n1 ZINC000423077000 1072495401 /nfs/dbraw/zinc/49/54/01/1072495401.db2.gz KYYXVYQRZPVFHM-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)n1 ZINC000423077001 1072495638 /nfs/dbraw/zinc/49/56/38/1072495638.db2.gz KYYXVYQRZPVFHM-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)n1 ZINC000423077002 1072495588 /nfs/dbraw/zinc/49/55/88/1072495588.db2.gz KYYXVYQRZPVFHM-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000423077231 1072495179 /nfs/dbraw/zinc/49/51/79/1072495179.db2.gz LSGQTJIUZCGMME-UHFFFAOYSA-N 1 0 390.488 -0.018 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)n1 ZINC000423077644 1072496430 /nfs/dbraw/zinc/49/64/30/1072496430.db2.gz MMJCWCYGTNCMNT-KKUMJFAQSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)n1 ZINC000423077645 1072496527 /nfs/dbraw/zinc/49/65/27/1072496527.db2.gz MMJCWCYGTNCMNT-RRFJBIMHSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)n1 ZINC000423077646 1072496423 /nfs/dbraw/zinc/49/64/23/1072496423.db2.gz MMJCWCYGTNCMNT-SOUVJXGZSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)n1 ZINC000423077647 1072496455 /nfs/dbraw/zinc/49/64/55/1072496455.db2.gz MMJCWCYGTNCMNT-ZNMIVQPWSA-N 1 0 388.472 -0.280 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)C1 ZINC000423077871 1072496274 /nfs/dbraw/zinc/49/62/74/1072496274.db2.gz NCKNBXNRRLEJFI-AWEZNQCLSA-N 1 0 376.461 -0.408 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)C1 ZINC000423077872 1072496315 /nfs/dbraw/zinc/49/63/15/1072496315.db2.gz NCKNBXNRRLEJFI-CQSZACIVSA-N 1 0 376.461 -0.408 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423077914 1072496567 /nfs/dbraw/zinc/49/65/67/1072496567.db2.gz NJLRBSXNYBZINX-FQEVSTJZSA-N 1 0 393.532 -0.399 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423077915 1072496516 /nfs/dbraw/zinc/49/65/16/1072496516.db2.gz NJLRBSXNYBZINX-HXUWFJFHSA-N 1 0 393.532 -0.399 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC2)nc1 ZINC000423078064 1072496373 /nfs/dbraw/zinc/49/63/73/1072496373.db2.gz NOEKTSFSSJAWGM-UHFFFAOYSA-N 1 0 377.445 -0.415 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423078087 1072496481 /nfs/dbraw/zinc/49/64/81/1072496481.db2.gz NRWFUIZBEFXDOH-INIZCTEOSA-N 1 0 379.505 -0.885 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423078088 1072496218 /nfs/dbraw/zinc/49/62/18/1072496218.db2.gz NRWFUIZBEFXDOH-MRXNPFEDSA-N 1 0 379.505 -0.885 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)n1 ZINC000423078093 1072496486 /nfs/dbraw/zinc/49/64/86/1072496486.db2.gz NTCVSLFUCHYCIN-AWEZNQCLSA-N 1 0 376.461 -0.279 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)n1 ZINC000423078094 1072496355 /nfs/dbraw/zinc/49/63/55/1072496355.db2.gz NTCVSLFUCHYCIN-CQSZACIVSA-N 1 0 376.461 -0.279 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078247 1072496529 /nfs/dbraw/zinc/49/65/29/1072496529.db2.gz NYRFURPHZDZXMM-IYBDPMFKSA-N 1 0 379.505 -0.933 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078689 1072496439 /nfs/dbraw/zinc/49/64/39/1072496439.db2.gz OYZFTWYLPMQKTC-DLBZAZTESA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423078690 1072496545 /nfs/dbraw/zinc/49/65/45/1072496545.db2.gz OYZFTWYLPMQKTC-IAGOWNOFSA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078691 1072496337 /nfs/dbraw/zinc/49/63/37/1072496337.db2.gz OYZFTWYLPMQKTC-IRXDYDNUSA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423078692 1072496494 /nfs/dbraw/zinc/49/64/94/1072496494.db2.gz OYZFTWYLPMQKTC-SJORKVTESA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423078778 1072496607 /nfs/dbraw/zinc/49/66/07/1072496607.db2.gz PGUGWSXPJJDXSC-DLBZAZTESA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423078780 1072495960 /nfs/dbraw/zinc/49/59/60/1072495960.db2.gz PGUGWSXPJJDXSC-IAGOWNOFSA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078782 1072496462 /nfs/dbraw/zinc/49/64/62/1072496462.db2.gz PGUGWSXPJJDXSC-IRXDYDNUSA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423078784 1072496021 /nfs/dbraw/zinc/49/60/21/1072496021.db2.gz PGUGWSXPJJDXSC-SJORKVTESA-N 1 0 393.532 -0.543 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078835 1072496138 /nfs/dbraw/zinc/49/61/38/1072496138.db2.gz PIKRADSBQHHFJP-DLBZAZTESA-N 1 0 393.532 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078836 1072496539 /nfs/dbraw/zinc/49/65/39/1072496539.db2.gz PIKRADSBQHHFJP-IAGOWNOFSA-N 1 0 393.532 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423078837 1072496306 /nfs/dbraw/zinc/49/63/06/1072496306.db2.gz PIKRADSBQHHFJP-IRXDYDNUSA-N 1 0 393.532 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423078838 1072496242 /nfs/dbraw/zinc/49/62/42/1072496242.db2.gz PIKRADSBQHHFJP-SJORKVTESA-N 1 0 393.532 -0.401 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423079114 1072496590 /nfs/dbraw/zinc/49/65/90/1072496590.db2.gz QEEITZROFJEUSO-DLBZAZTESA-N 1 0 387.484 -0.780 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC000423079403 1072496291 /nfs/dbraw/zinc/49/62/91/1072496291.db2.gz QSVASZTXGZKRJU-UHFFFAOYSA-N 1 0 375.429 -0.661 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000423079637 1072496558 /nfs/dbraw/zinc/49/65/58/1072496558.db2.gz RCPYQNCGYDYTKP-UHFFFAOYSA-N 1 0 390.488 -0.018 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCCO1 ZINC000423080250 1072496180 /nfs/dbraw/zinc/49/61/80/1072496180.db2.gz ZGGHSLWOKSNFEF-AWEZNQCLSA-N 1 0 381.864 -0.040 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCCO1 ZINC000423080251 1072496600 /nfs/dbraw/zinc/49/66/00/1072496600.db2.gz ZGGHSLWOKSNFEF-CQSZACIVSA-N 1 0 381.864 -0.040 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000423080751 1072496391 /nfs/dbraw/zinc/49/63/91/1072496391.db2.gz AIQAEKHGZZGXJY-DLBZAZTESA-N 1 0 393.532 -0.401 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000423080752 1072496577 /nfs/dbraw/zinc/49/65/77/1072496577.db2.gz AIQAEKHGZZGXJY-IAGOWNOFSA-N 1 0 393.532 -0.401 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000423080753 1072496379 /nfs/dbraw/zinc/49/63/79/1072496379.db2.gz AIQAEKHGZZGXJY-IRXDYDNUSA-N 1 0 393.532 -0.401 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000423080754 1072496385 /nfs/dbraw/zinc/49/63/85/1072496385.db2.gz AIQAEKHGZZGXJY-SJORKVTESA-N 1 0 393.532 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423081219 1072496319 /nfs/dbraw/zinc/49/63/19/1072496319.db2.gz UQJBCLVNGSSZDQ-KRWDZBQOSA-N 1 0 395.548 -0.024 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423081220 1072496059 /nfs/dbraw/zinc/49/60/59/1072496059.db2.gz UQJBCLVNGSSZDQ-QGZVFWFLSA-N 1 0 395.548 -0.024 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC2)nc1 ZINC000423081474 1072496253 /nfs/dbraw/zinc/49/62/53/1072496253.db2.gz UXELDGNHQOEMQW-UHFFFAOYSA-N 1 0 391.472 -0.025 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)n1 ZINC000423081494 1072496397 /nfs/dbraw/zinc/49/63/97/1072496397.db2.gz UYSWYEJKDSSZFW-UHFFFAOYSA-N 1 0 388.472 -0.264 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[C@@]1(C)C[NH3+] ZINC000423081679 1072496996 /nfs/dbraw/zinc/49/69/96/1072496996.db2.gz BYFQYEKPYPUNEQ-BFUOFWGJSA-N 1 0 388.472 -0.728 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)n1 ZINC000423081715 1072497403 /nfs/dbraw/zinc/49/74/03/1072497403.db2.gz VIFPUYMJCPYJTD-KBPBESRZSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)n1 ZINC000423081717 1072497274 /nfs/dbraw/zinc/49/72/74/1072497274.db2.gz VIFPUYMJCPYJTD-KGLIPLIRSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)n1 ZINC000423081719 1072497605 /nfs/dbraw/zinc/49/76/05/1072497605.db2.gz VIFPUYMJCPYJTD-UONOGXRCSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)n1 ZINC000423081721 1072497539 /nfs/dbraw/zinc/49/75/39/1072497539.db2.gz VIFPUYMJCPYJTD-ZIAGYGMSSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)CC2)n1 ZINC000423081870 1072496311 /nfs/dbraw/zinc/49/63/11/1072496311.db2.gz VVZWFLOVOKIYRB-IBGZPJMESA-N 1 0 388.472 -0.264 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)CC2)n1 ZINC000423081871 1072496230 /nfs/dbraw/zinc/49/62/30/1072496230.db2.gz VVZWFLOVOKIYRB-LJQANCHMSA-N 1 0 388.472 -0.264 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082178 1072496159 /nfs/dbraw/zinc/49/61/59/1072496159.db2.gz WIKIHXOIRLVTTN-CVEARBPZSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082179 1072496101 /nfs/dbraw/zinc/49/61/01/1072496101.db2.gz WIKIHXOIRLVTTN-HOTGVXAUSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423082180 1072496579 /nfs/dbraw/zinc/49/65/79/1072496579.db2.gz WIKIHXOIRLVTTN-HZPDHXFCSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423082181 1072496278 /nfs/dbraw/zinc/49/62/78/1072496278.db2.gz WIKIHXOIRLVTTN-JKSUJKDBSA-N 1 0 381.521 -0.415 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)n1 ZINC000423082209 1072496586 /nfs/dbraw/zinc/49/65/86/1072496586.db2.gz WMYVRAMCJPWELT-FZKQIMNGSA-N 1 0 376.461 -0.423 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423082506 1072496405 /nfs/dbraw/zinc/49/64/05/1072496405.db2.gz XALAPANPLADHLJ-OXQOHEQNSA-N 1 0 395.548 -0.168 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)n1 ZINC000423082754 1072497323 /nfs/dbraw/zinc/49/73/23/1072497323.db2.gz XIRCROSOJIHDJT-CYBMUJFWSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)n1 ZINC000423082755 1072497257 /nfs/dbraw/zinc/49/72/57/1072497257.db2.gz XIRCROSOJIHDJT-ZDUSSCGKSA-N 1 0 376.461 -0.280 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000423082769 1072497472 /nfs/dbraw/zinc/49/74/72/1072497472.db2.gz XKQXLULVQWNYTF-UHFFFAOYSA-N 1 0 379.505 -0.741 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423083136 1072497440 /nfs/dbraw/zinc/49/74/40/1072497440.db2.gz YIYCMJAKIQTAMZ-INIZCTEOSA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423083137 1072497545 /nfs/dbraw/zinc/49/75/45/1072497545.db2.gz YIYCMJAKIQTAMZ-MRXNPFEDSA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423083254 1072497411 /nfs/dbraw/zinc/49/74/11/1072497411.db2.gz YLKFGCKUGGHWJT-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083604 1072497342 /nfs/dbraw/zinc/49/73/42/1072497342.db2.gz ZCEDIKHYDLUTGK-DLBZAZTESA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083606 1072497478 /nfs/dbraw/zinc/49/74/78/1072497478.db2.gz ZCEDIKHYDLUTGK-IAGOWNOFSA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423083608 1072497391 /nfs/dbraw/zinc/49/73/91/1072497391.db2.gz ZCEDIKHYDLUTGK-IRXDYDNUSA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423083610 1072497456 /nfs/dbraw/zinc/49/74/56/1072497456.db2.gz ZCEDIKHYDLUTGK-SJORKVTESA-N 1 0 395.548 -0.025 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423083912 1072497571 /nfs/dbraw/zinc/49/75/71/1072497571.db2.gz ZLSYWZDHVKTSIB-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423083913 1072497509 /nfs/dbraw/zinc/49/75/09/1072497509.db2.gz ZLSYWZDHVKTSIB-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423084540 1072497181 /nfs/dbraw/zinc/49/71/81/1072497181.db2.gz IHEQUEZAFXWKBT-HNNXBMFYSA-N 1 0 390.488 -0.339 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423084541 1072496986 /nfs/dbraw/zinc/49/69/86/1072496986.db2.gz IHEQUEZAFXWKBT-OAHLLOKOSA-N 1 0 390.488 -0.339 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423085209 1072497453 /nfs/dbraw/zinc/49/74/53/1072497453.db2.gz KBARDEFJDDQATD-UHFFFAOYSA-N 1 0 376.461 -0.728 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423085411 1072497008 /nfs/dbraw/zinc/49/70/08/1072497008.db2.gz KPKXNWVWDFOBNT-JXFKEZNVSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423085412 1072497168 /nfs/dbraw/zinc/49/71/68/1072497168.db2.gz KPKXNWVWDFOBNT-OXJNMPFZSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423085413 1072497601 /nfs/dbraw/zinc/49/76/01/1072497601.db2.gz KPKXNWVWDFOBNT-OXQOHEQNSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423085444 1072497532 /nfs/dbraw/zinc/49/75/32/1072497532.db2.gz KPKXNWVWDFOBNT-UZLBHIALSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[C@@H]1C[NH3+] ZINC000423085721 1072497021 /nfs/dbraw/zinc/49/70/21/1072497021.db2.gz LGGQGVQMAPACBJ-KBPBESRZSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[C@@H]1C[NH3+] ZINC000423085723 1072497095 /nfs/dbraw/zinc/49/70/95/1072497095.db2.gz LGGQGVQMAPACBJ-KGLIPLIRSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[C@H]1C[NH3+] ZINC000423085725 1072497157 /nfs/dbraw/zinc/49/71/57/1072497157.db2.gz LGGQGVQMAPACBJ-UONOGXRCSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C[C@H]1C[NH3+] ZINC000423085728 1072497083 /nfs/dbraw/zinc/49/70/83/1072497083.db2.gz LGGQGVQMAPACBJ-ZIAGYGMSSA-N 1 0 388.472 -0.728 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423087179 1072497229 /nfs/dbraw/zinc/49/72/29/1072497229.db2.gz OVTVUCXUQUJEPF-OKILXGFUSA-N 1 0 386.456 -0.818 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423087820 1072497592 /nfs/dbraw/zinc/49/75/92/1072497592.db2.gz QMHBPFOVJONUJT-CVEARBPZSA-N 1 0 379.505 -0.519 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423087821 1072497062 /nfs/dbraw/zinc/49/70/62/1072497062.db2.gz QMHBPFOVJONUJT-HOTGVXAUSA-N 1 0 379.505 -0.519 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423089025 1072497310 /nfs/dbraw/zinc/49/73/10/1072497310.db2.gz UHEISQCUEIXICM-INIZCTEOSA-N 1 0 395.548 -0.025 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423089026 1072497032 /nfs/dbraw/zinc/49/70/32/1072497032.db2.gz UHEISQCUEIXICM-MRXNPFEDSA-N 1 0 395.548 -0.025 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000423090029 1072497430 /nfs/dbraw/zinc/49/74/30/1072497430.db2.gz WMRSKYVNYCMTDL-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423090030 1072497490 /nfs/dbraw/zinc/49/74/90/1072497490.db2.gz WMRSKYVNYCMTDL-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423090666 1072497595 /nfs/dbraw/zinc/49/75/95/1072497595.db2.gz YCBWXPUIBALQPR-UHFFFAOYSA-N 1 0 397.520 -0.051 20 0 GBADRO O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423092620 1072498406 /nfs/dbraw/zinc/49/84/06/1072498406.db2.gz CSDKNDFCDHIAQP-UHFFFAOYSA-N 1 0 378.860 -0.015 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423099476 1072498421 /nfs/dbraw/zinc/49/84/21/1072498421.db2.gz APDCMCFYLZHQQF-AWEZNQCLSA-N 1 0 378.404 -0.565 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423099477 1072498545 /nfs/dbraw/zinc/49/85/45/1072498545.db2.gz APDCMCFYLZHQQF-CQSZACIVSA-N 1 0 378.404 -0.565 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423100038 1072498664 /nfs/dbraw/zinc/49/86/64/1072498664.db2.gz BHCBNQAEAUHSQP-OAHLLOKOSA-N 1 0 392.431 -0.175 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000423100146 1072498392 /nfs/dbraw/zinc/49/83/92/1072498392.db2.gz BNPDUOJIOLPSSV-ILXRZTDVSA-N 1 0 388.534 -0.250 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000423100150 1072498630 /nfs/dbraw/zinc/49/86/30/1072498630.db2.gz BNPDUOJIOLPSSV-KFWWJZLASA-N 1 0 388.534 -0.250 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000423100152 1072498644 /nfs/dbraw/zinc/49/86/44/1072498644.db2.gz BNPDUOJIOLPSSV-QLFBSQMISA-N 1 0 388.534 -0.250 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000423100154 1072498134 /nfs/dbraw/zinc/49/81/34/1072498134.db2.gz BNPDUOJIOLPSSV-RBSFLKMASA-N 1 0 388.534 -0.250 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H](C)[NH2+]1 ZINC000423100806 1072498312 /nfs/dbraw/zinc/49/83/12/1072498312.db2.gz BYJDPPOPKGTYHL-KBPBESRZSA-N 1 0 395.485 -0.877 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H](C)[NH2+]1 ZINC000423100810 1072498201 /nfs/dbraw/zinc/49/82/01/1072498201.db2.gz BYJDPPOPKGTYHL-OKILXGFUSA-N 1 0 395.485 -0.877 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423100812 1072498325 /nfs/dbraw/zinc/49/83/25/1072498325.db2.gz BYJDPPOPKGTYHL-ZIAGYGMSSA-N 1 0 395.485 -0.877 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000423103181 530356590 /nfs/dbraw/zinc/35/65/90/530356590.db2.gz KWISBXNCEAEQRR-UHFFFAOYSA-N 1 0 388.877 -0.410 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423104126 1072499094 /nfs/dbraw/zinc/49/90/94/1072499094.db2.gz GRFIXTGLTIPYCO-UHFFFAOYSA-N 1 0 394.447 -0.057 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000423104533 1072499507 /nfs/dbraw/zinc/49/95/07/1072499507.db2.gz HDAXNKGYBQPPJC-IYBDPMFKSA-N 1 0 386.452 -0.343 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000423104929 1072499134 /nfs/dbraw/zinc/49/91/34/1072499134.db2.gz HPFMHRCTGDIZSE-CZUORRHYSA-N 1 0 392.431 -0.319 20 0 GBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423105120 1072499046 /nfs/dbraw/zinc/49/90/46/1072499046.db2.gz BTVBXUDSFRNUPE-GOEBONIOSA-N 1 0 392.431 -0.604 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423105876 1072499020 /nfs/dbraw/zinc/49/90/20/1072499020.db2.gz IYJXFBZMKKHAHO-INIZCTEOSA-N 1 0 390.440 -0.834 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423105877 1072499362 /nfs/dbraw/zinc/49/93/62/1072499362.db2.gz IYJXFBZMKKHAHO-MRXNPFEDSA-N 1 0 390.440 -0.834 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000423105904 1072499590 /nfs/dbraw/zinc/49/95/90/1072499590.db2.gz CQRNXZIGYLWRCH-UHFFFAOYSA-N 1 0 390.412 -0.785 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423107897 1072499547 /nfs/dbraw/zinc/49/95/47/1072499547.db2.gz LNRSSKTXUKXSGQ-AWEZNQCLSA-N 1 0 392.431 -0.304 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423107898 1072499294 /nfs/dbraw/zinc/49/92/94/1072499294.db2.gz LNRSSKTXUKXSGQ-CQSZACIVSA-N 1 0 392.431 -0.304 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[NH2+]1 ZINC000423109722 1072499334 /nfs/dbraw/zinc/49/93/34/1072499334.db2.gz ODVSERQRRYTHMW-UHFFFAOYSA-N 1 0 395.485 -0.875 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423110260 1072499481 /nfs/dbraw/zinc/49/94/81/1072499481.db2.gz PAEQTTQKKBPHAD-IYBDPMFKSA-N 1 0 386.452 -0.343 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@]1(C)C[NH3+] ZINC000423110378 1072499425 /nfs/dbraw/zinc/49/94/25/1072499425.db2.gz HSQQTJBKQCPCIT-BFUOFWGJSA-N 1 0 388.472 -0.728 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423111888 1072499207 /nfs/dbraw/zinc/49/92/07/1072499207.db2.gz RFDQLJZNPMYPHC-AWEZNQCLSA-N 1 0 392.431 -0.318 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423111889 1072499584 /nfs/dbraw/zinc/49/95/84/1072499584.db2.gz RFDQLJZNPMYPHC-CQSZACIVSA-N 1 0 392.431 -0.318 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423112187 1072499476 /nfs/dbraw/zinc/49/94/76/1072499476.db2.gz RPHNUZGCMFXYFU-CABCVRRESA-N 1 0 388.534 -0.106 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423112188 1072499530 /nfs/dbraw/zinc/49/95/30/1072499530.db2.gz RPHNUZGCMFXYFU-GJZGRUSLSA-N 1 0 388.534 -0.106 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423112189 1072499541 /nfs/dbraw/zinc/49/95/41/1072499541.db2.gz RPHNUZGCMFXYFU-HUUCEWRRSA-N 1 0 388.534 -0.106 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423112190 1072499180 /nfs/dbraw/zinc/49/91/80/1072499180.db2.gz RPHNUZGCMFXYFU-LSDHHAIUSA-N 1 0 388.534 -0.106 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@@]1(C)C[NH3+] ZINC000423112241 1072499197 /nfs/dbraw/zinc/49/91/97/1072499197.db2.gz RVKHXSAHZGNEDB-CKEIUWERSA-N 1 0 388.534 -0.250 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C[C@@]1(C)C[NH3+] ZINC000423112242 1072499000 /nfs/dbraw/zinc/49/90/00/1072499000.db2.gz RVKHXSAHZGNEDB-JKIFEVAISA-N 1 0 388.534 -0.250 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423112294 1072499272 /nfs/dbraw/zinc/49/92/72/1072499272.db2.gz JPNSHJSXVOMYDT-HNNXBMFYSA-N 1 0 390.488 -0.339 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423112295 1072499258 /nfs/dbraw/zinc/49/92/58/1072499258.db2.gz JPNSHJSXVOMYDT-OAHLLOKOSA-N 1 0 390.488 -0.339 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000423112625 1072499281 /nfs/dbraw/zinc/49/92/81/1072499281.db2.gz SGJRGCCQXQAVTN-AWEZNQCLSA-N 1 0 395.485 -0.875 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000423112626 1072499461 /nfs/dbraw/zinc/49/94/61/1072499461.db2.gz SGJRGCCQXQAVTN-CQSZACIVSA-N 1 0 395.485 -0.875 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423113555 1072499245 /nfs/dbraw/zinc/49/92/45/1072499245.db2.gz UNKWQQZEGSFZSV-UHFFFAOYSA-N 1 0 397.501 -0.642 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1C[NH3+] ZINC000423113669 1072499490 /nfs/dbraw/zinc/49/94/90/1072499490.db2.gz KTKDWCZNBMLROW-DZGCQCFKSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H]1C[NH3+] ZINC000423113670 1072498921 /nfs/dbraw/zinc/49/89/21/1072498921.db2.gz KTKDWCZNBMLROW-HIFRSBDPSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1C[NH3+] ZINC000423113671 1072499524 /nfs/dbraw/zinc/49/95/24/1072499524.db2.gz KTKDWCZNBMLROW-UKRRQHHQSA-N 1 0 388.472 -0.728 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H]1C[NH3+] ZINC000423113672 1072499495 /nfs/dbraw/zinc/49/94/95/1072499495.db2.gz KTKDWCZNBMLROW-ZFWWWQNUSA-N 1 0 388.472 -0.728 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423113905 1072984023 /nfs/dbraw/zinc/98/40/23/1072984023.db2.gz UXXPQIKDXPCPRO-UHFFFAOYSA-N 1 0 380.420 -0.447 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000423113978 1072499441 /nfs/dbraw/zinc/49/94/41/1072499441.db2.gz ZOCAGKCUFSFPAY-UHFFFAOYSA-N 1 0 396.469 -0.861 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423114132 1072499324 /nfs/dbraw/zinc/49/93/24/1072499324.db2.gz LNDSYAPFGXPBTN-UHFFFAOYSA-N 1 0 376.461 -0.728 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000423114923 1072498303 /nfs/dbraw/zinc/49/83/03/1072498303.db2.gz MOBSISCAPKUXHA-GASCZTMLSA-N 1 0 386.456 -0.818 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423114989 1072498475 /nfs/dbraw/zinc/49/84/75/1072498475.db2.gz WTCUGDFWVWJNCZ-INIZCTEOSA-N 1 0 390.440 -0.834 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423114990 1072498255 /nfs/dbraw/zinc/49/82/55/1072498255.db2.gz WTCUGDFWVWJNCZ-MRXNPFEDSA-N 1 0 390.440 -0.834 20 0 GBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423115232 1072498589 /nfs/dbraw/zinc/49/85/89/1072498589.db2.gz MZHGWSZHEKZBMG-JKSUJKDBSA-N 1 0 392.431 -0.604 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000423115262 530356398 /nfs/dbraw/zinc/35/63/98/530356398.db2.gz XPYBFWHYKNVVGS-CYBMUJFWSA-N 1 0 376.523 -0.250 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000423115263 530356570 /nfs/dbraw/zinc/35/65/70/530356570.db2.gz XPYBFWHYKNVVGS-ZDUSSCGKSA-N 1 0 376.523 -0.250 20 0 GBADRO CCOC(=O)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423115505 1072498167 /nfs/dbraw/zinc/49/81/67/1072498167.db2.gz YBJULKNYKPCSDQ-INIZCTEOSA-N 1 0 380.489 -0.316 20 0 GBADRO CCOC(=O)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423115506 1072498655 /nfs/dbraw/zinc/49/86/55/1072498655.db2.gz YBJULKNYKPCSDQ-MRXNPFEDSA-N 1 0 380.489 -0.316 20 0 GBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423118163 1072498240 /nfs/dbraw/zinc/49/82/40/1072498240.db2.gz ZAVUWKRUTQKKOX-SJORKVTESA-N 1 0 388.468 -0.496 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423118576 1072498191 /nfs/dbraw/zinc/49/81/91/1072498191.db2.gz BHCBNQAEAUHSQP-HNNXBMFYSA-N 1 0 392.431 -0.175 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000423118867 1072498381 /nfs/dbraw/zinc/49/83/81/1072498381.db2.gz CLBFOAQSJUZZPG-UHFFFAOYSA-N 1 0 392.431 -0.175 20 0 GBADRO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)n1 ZINC000423119640 1072498216 /nfs/dbraw/zinc/49/82/16/1072498216.db2.gz CXFLRXHPIQANKC-CABCVRRESA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)n1 ZINC000423119641 1072498369 /nfs/dbraw/zinc/49/83/69/1072498369.db2.gz CXFLRXHPIQANKC-GJZGRUSLSA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)n1 ZINC000423119642 1072498179 /nfs/dbraw/zinc/49/81/79/1072498179.db2.gz CXFLRXHPIQANKC-HUUCEWRRSA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)n1 ZINC000423119643 1072498276 /nfs/dbraw/zinc/49/82/76/1072498276.db2.gz CXFLRXHPIQANKC-LSDHHAIUSA-N 1 0 389.456 -0.247 20 0 GBADRO O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423122589 1072498483 /nfs/dbraw/zinc/49/84/83/1072498483.db2.gz KCIQPRHENJALFS-UHFFFAOYSA-N 1 0 378.404 -0.693 20 0 GBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)nc1 ZINC000423123626 1072498105 /nfs/dbraw/zinc/49/81/05/1072498105.db2.gz NCHZYMNQOCHAEI-CABCVRRESA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)nc1 ZINC000423123627 1072498146 /nfs/dbraw/zinc/49/81/46/1072498146.db2.gz NCHZYMNQOCHAEI-GJZGRUSLSA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)nc1 ZINC000423123628 1072498279 /nfs/dbraw/zinc/49/82/79/1072498279.db2.gz NCHZYMNQOCHAEI-HUUCEWRRSA-N 1 0 389.456 -0.247 20 0 GBADRO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)nc1 ZINC000423123629 1072498293 /nfs/dbraw/zinc/49/82/93/1072498293.db2.gz NCHZYMNQOCHAEI-LSDHHAIUSA-N 1 0 389.456 -0.247 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCO1 ZINC000423123916 1072498467 /nfs/dbraw/zinc/49/84/67/1072498467.db2.gz FOAGNNHAJZOKFT-CYBMUJFWSA-N 1 0 396.394 -0.565 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CCO1 ZINC000423123917 1072498450 /nfs/dbraw/zinc/49/84/50/1072498450.db2.gz FOAGNNHAJZOKFT-ZDUSSCGKSA-N 1 0 396.394 -0.565 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000423124971 1072498122 /nfs/dbraw/zinc/49/81/22/1072498122.db2.gz PPNLGCGQQCYFQS-UHFFFAOYSA-N 1 0 389.522 -0.943 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000423126529 1072498679 /nfs/dbraw/zinc/49/86/79/1072498679.db2.gz AUBYMJFYKVGMDK-UHFFFAOYSA-N 1 0 385.468 -0.848 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423126562 1072498263 /nfs/dbraw/zinc/49/82/63/1072498263.db2.gz AZATYYDORJQHHQ-CYBMUJFWSA-N 1 0 379.436 -0.286 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423126563 1072498553 /nfs/dbraw/zinc/49/85/53/1072498553.db2.gz AZATYYDORJQHHQ-ZDUSSCGKSA-N 1 0 379.436 -0.286 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000423126579 1072984882 /nfs/dbraw/zinc/98/48/82/1072984882.db2.gz BBENCVBAJFZPKH-AWEZNQCLSA-N 1 0 393.463 -0.025 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000423126580 1072984634 /nfs/dbraw/zinc/98/46/34/1072984634.db2.gz BBENCVBAJFZPKH-CQSZACIVSA-N 1 0 393.463 -0.025 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000423127682 1072499113 /nfs/dbraw/zinc/49/91/13/1072499113.db2.gz JWZJWMUALDTEBT-UHFFFAOYSA-N 1 0 378.429 -0.595 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C[C@H]1[NH3+] ZINC000423127929 1072499534 /nfs/dbraw/zinc/49/95/34/1072499534.db2.gz CLNWJJQSTDYPFY-NVXWUHKLSA-N 1 0 399.495 -0.475 20 0 GBADRO CCc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423128143 1072499518 /nfs/dbraw/zinc/49/95/18/1072499518.db2.gz KIDUBDNRWDXIOQ-KRWDZBQOSA-N 1 0 388.468 -0.281 20 0 GBADRO CCc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423128144 1072499467 /nfs/dbraw/zinc/49/94/67/1072499467.db2.gz KIDUBDNRWDXIOQ-QGZVFWFLSA-N 1 0 388.468 -0.281 20 0 GBADRO COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000423129849 1072499580 /nfs/dbraw/zinc/49/95/80/1072499580.db2.gz FTYCBHMRBYPDNN-KRWDZBQOSA-N 1 0 388.468 -0.062 20 0 GBADRO COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000423129850 1072498942 /nfs/dbraw/zinc/49/89/42/1072498942.db2.gz FTYCBHMRBYPDNN-QGZVFWFLSA-N 1 0 388.468 -0.062 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423130701 1072499553 /nfs/dbraw/zinc/49/95/53/1072499553.db2.gz NFFSKMUJDPOLNZ-AWEZNQCLSA-N 1 0 390.440 -0.452 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423130702 1072499563 /nfs/dbraw/zinc/49/95/63/1072499563.db2.gz NFFSKMUJDPOLNZ-CQSZACIVSA-N 1 0 390.440 -0.452 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423134050 1072499954 /nfs/dbraw/zinc/49/99/54/1072499954.db2.gz RJQHGOAZHRXDOH-OKILXGFUSA-N 1 0 392.406 -0.073 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423134355 1072984759 /nfs/dbraw/zinc/98/47/59/1072984759.db2.gz MAHVYVUXPNAUPK-UHFFFAOYSA-N 1 0 387.484 -0.602 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000423134526 1072500468 /nfs/dbraw/zinc/50/04/68/1072500468.db2.gz MKGNMQKBXAWRID-INIZCTEOSA-N 1 0 399.495 -0.460 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000423134527 1072500110 /nfs/dbraw/zinc/50/01/10/1072500110.db2.gz MKGNMQKBXAWRID-MRXNPFEDSA-N 1 0 399.495 -0.460 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423135646 1072500952 /nfs/dbraw/zinc/50/09/52/1072500952.db2.gz OENDSLDPOSIIIM-INIZCTEOSA-N 1 0 399.495 -0.473 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423135647 1072501478 /nfs/dbraw/zinc/50/14/78/1072501478.db2.gz OENDSLDPOSIIIM-MRXNPFEDSA-N 1 0 399.495 -0.473 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423136392 1072499987 /nfs/dbraw/zinc/49/99/87/1072499987.db2.gz YWPAIXSTHVPPHE-HNNXBMFYSA-N 1 0 392.431 -0.304 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000423136393 1072500314 /nfs/dbraw/zinc/50/03/14/1072500314.db2.gz YWPAIXSTHVPPHE-OAHLLOKOSA-N 1 0 392.431 -0.304 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423136859 1072501221 /nfs/dbraw/zinc/50/12/21/1072501221.db2.gz PTYVPXBPDCGWGT-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423136862 1072501418 /nfs/dbraw/zinc/50/14/18/1072501418.db2.gz PTYVPXBPDCGWGT-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423137300 1072501466 /nfs/dbraw/zinc/50/14/66/1072501466.db2.gz QRDXFOQNJJSKLE-DZGCQCFKSA-N 1 0 391.447 -0.144 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423137301 1072500679 /nfs/dbraw/zinc/50/06/79/1072500679.db2.gz QRDXFOQNJJSKLE-HIFRSBDPSA-N 1 0 391.447 -0.144 20 0 GBADRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423137302 1072501168 /nfs/dbraw/zinc/50/11/68/1072501168.db2.gz QRDXFOQNJJSKLE-UKRRQHHQSA-N 1 0 391.447 -0.144 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423137303 1072500847 /nfs/dbraw/zinc/50/08/47/1072500847.db2.gz QRDXFOQNJJSKLE-ZFWWWQNUSA-N 1 0 391.447 -0.144 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423137490 1072501045 /nfs/dbraw/zinc/50/10/45/1072501045.db2.gz RDCKWISLHWPWAR-KRWDZBQOSA-N 1 0 399.495 -0.330 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423137491 1072500916 /nfs/dbraw/zinc/50/09/16/1072500916.db2.gz RDCKWISLHWPWAR-QGZVFWFLSA-N 1 0 399.495 -0.330 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423137665 1072501091 /nfs/dbraw/zinc/50/10/91/1072501091.db2.gz WRZIXDXBCVOYMV-UHFFFAOYSA-N 1 0 390.440 -0.580 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000423138109 1072501017 /nfs/dbraw/zinc/50/10/17/1072501017.db2.gz SCKSIVQSQLQINV-UHFFFAOYSA-N 1 0 399.495 -0.330 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423138803 1072501197 /nfs/dbraw/zinc/50/11/97/1072501197.db2.gz UETVLPPDGWASFB-INIZCTEOSA-N 1 0 385.468 -0.721 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423138804 1072501503 /nfs/dbraw/zinc/50/15/03/1072501503.db2.gz UETVLPPDGWASFB-MRXNPFEDSA-N 1 0 385.468 -0.721 20 0 GBADRO COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000423138950 1072501106 /nfs/dbraw/zinc/50/11/06/1072501106.db2.gz UNSYZATUMPTVJT-KRWDZBQOSA-N 1 0 388.468 -0.062 20 0 GBADRO COC(=O)c1ccc(CN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000423138951 1072501052 /nfs/dbraw/zinc/50/10/52/1072501052.db2.gz UNSYZATUMPTVJT-QGZVFWFLSA-N 1 0 388.468 -0.062 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423140459 1072500828 /nfs/dbraw/zinc/50/08/28/1072500828.db2.gz YNAIMKGIPSIAPJ-KRWDZBQOSA-N 1 0 399.495 -0.460 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000423140460 1072501214 /nfs/dbraw/zinc/50/12/14/1072501214.db2.gz YNAIMKGIPSIAPJ-QGZVFWFLSA-N 1 0 399.495 -0.460 20 0 GBADRO COCCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423141804 1072501125 /nfs/dbraw/zinc/50/11/25/1072501125.db2.gz RWCVAGMYPQXQDA-AWEZNQCLSA-N 1 0 380.445 -0.432 20 0 GBADRO COCCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423141805 1072501405 /nfs/dbraw/zinc/50/14/05/1072501405.db2.gz RWCVAGMYPQXQDA-CQSZACIVSA-N 1 0 380.445 -0.432 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)n1 ZINC000423149266 1072500092 /nfs/dbraw/zinc/50/00/92/1072500092.db2.gz AHJCOJBCPFDWMG-AWEZNQCLSA-N 1 0 377.445 -0.685 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)n1 ZINC000423149267 1072499919 /nfs/dbraw/zinc/49/99/19/1072499919.db2.gz AHJCOJBCPFDWMG-CQSZACIVSA-N 1 0 377.445 -0.685 20 0 GBADRO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423149351 1072500061 /nfs/dbraw/zinc/50/00/61/1072500061.db2.gz HJWZYRGATBNPMF-DLBZAZTESA-N 1 0 391.516 -0.504 20 0 GBADRO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423149352 1072500379 /nfs/dbraw/zinc/50/03/79/1072500379.db2.gz HJWZYRGATBNPMF-IAGOWNOFSA-N 1 0 391.516 -0.504 20 0 GBADRO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423149353 1072500117 /nfs/dbraw/zinc/50/01/17/1072500117.db2.gz HJWZYRGATBNPMF-IRXDYDNUSA-N 1 0 391.516 -0.504 20 0 GBADRO O=C(C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423149354 1072500087 /nfs/dbraw/zinc/50/00/87/1072500087.db2.gz HJWZYRGATBNPMF-SJORKVTESA-N 1 0 391.516 -0.504 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423149370 1072500460 /nfs/dbraw/zinc/50/04/60/1072500460.db2.gz HMIPAVCESILYJB-HNNXBMFYSA-N 1 0 395.504 -0.889 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000423149371 1072500363 /nfs/dbraw/zinc/50/03/63/1072500363.db2.gz HMIPAVCESILYJB-OAHLLOKOSA-N 1 0 395.504 -0.889 20 0 GBADRO O=C(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000423149892 1072500254 /nfs/dbraw/zinc/50/02/54/1072500254.db2.gz YCZGPWCLHINXLZ-UHFFFAOYSA-N 1 0 398.460 -0.473 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000423150729 1072500186 /nfs/dbraw/zinc/50/01/86/1072500186.db2.gz CCYKRAMOGVRFPW-HNNXBMFYSA-N 1 0 383.452 -0.059 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000423150730 1072500127 /nfs/dbraw/zinc/50/01/27/1072500127.db2.gz CCYKRAMOGVRFPW-OAHLLOKOSA-N 1 0 383.452 -0.059 20 0 GBADRO O=C(NCC1CC1)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423153376 1072500039 /nfs/dbraw/zinc/50/00/39/1072500039.db2.gz NHFHXPSVFORFJD-DLBZAZTESA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423153377 1072500045 /nfs/dbraw/zinc/50/00/45/1072500045.db2.gz NHFHXPSVFORFJD-IAGOWNOFSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(NCC1CC1)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423153378 1072500058 /nfs/dbraw/zinc/50/00/58/1072500058.db2.gz NHFHXPSVFORFJD-IRXDYDNUSA-N 1 0 391.516 -0.743 20 0 GBADRO O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423153379 1072500023 /nfs/dbraw/zinc/50/00/23/1072500023.db2.gz NHFHXPSVFORFJD-SJORKVTESA-N 1 0 391.516 -0.743 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1F ZINC000423154288 1072500298 /nfs/dbraw/zinc/50/02/98/1072500298.db2.gz JIKIVHSIJGPNMC-HNNXBMFYSA-N 1 0 392.431 -0.395 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1F ZINC000423154289 1072500448 /nfs/dbraw/zinc/50/04/48/1072500448.db2.gz JIKIVHSIJGPNMC-OAHLLOKOSA-N 1 0 392.431 -0.395 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423157598 1072500211 /nfs/dbraw/zinc/50/02/11/1072500211.db2.gz MRMMPLCXYATOMB-KRWDZBQOSA-N 1 0 388.468 -0.144 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423157600 1072500079 /nfs/dbraw/zinc/50/00/79/1072500079.db2.gz MRMMPLCXYATOMB-QGZVFWFLSA-N 1 0 388.468 -0.144 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423157786 1072500225 /nfs/dbraw/zinc/50/02/25/1072500225.db2.gz VVBKLIFTMLJQEE-MSOLQXFVSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423157787 1072500346 /nfs/dbraw/zinc/50/03/46/1072500346.db2.gz VVBKLIFTMLJQEE-QZTJIDSGSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423157788 1072500239 /nfs/dbraw/zinc/50/02/39/1072500239.db2.gz VVBKLIFTMLJQEE-ROUUACIJSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423157789 1072500106 /nfs/dbraw/zinc/50/01/06/1072500106.db2.gz VVBKLIFTMLJQEE-ZWKOTPCHSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423158092 1072499883 /nfs/dbraw/zinc/49/98/83/1072499883.db2.gz WGFFTXPXFOWVOK-MSOLQXFVSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423158093 1072500437 /nfs/dbraw/zinc/50/04/37/1072500437.db2.gz WGFFTXPXFOWVOK-QZTJIDSGSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423158094 1072500426 /nfs/dbraw/zinc/50/04/26/1072500426.db2.gz WGFFTXPXFOWVOK-ROUUACIJSA-N 1 0 399.495 -0.418 20 0 GBADRO O=C(C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423158095 1072500281 /nfs/dbraw/zinc/50/02/81/1072500281.db2.gz WGFFTXPXFOWVOK-ZWKOTPCHSA-N 1 0 399.495 -0.418 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000423159544 1072500766 /nfs/dbraw/zinc/50/07/66/1072500766.db2.gz YGUXCZGVFMAYRE-JSGCOSHPSA-N 1 0 387.433 -0.015 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000423159546 1072501002 /nfs/dbraw/zinc/50/10/02/1072501002.db2.gz YGUXCZGVFMAYRE-OCCSQVGLSA-N 1 0 387.433 -0.015 20 0 GBADRO O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423161684 1072502234 /nfs/dbraw/zinc/50/22/34/1072502234.db2.gz OBVDWRFOQHPWNK-UHFFFAOYSA-N 1 0 383.452 -0.187 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000423164435 1072502193 /nfs/dbraw/zinc/50/21/93/1072502193.db2.gz OPVCLJKAUDPLRG-UHFFFAOYSA-N 1 0 382.848 -0.193 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)n1 ZINC000423166418 1072502417 /nfs/dbraw/zinc/50/24/17/1072502417.db2.gz ZEFIWUAXOOQXAD-HNNXBMFYSA-N 1 0 391.472 -0.295 20 0 GBADRO CCOc1cccc(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)n1 ZINC000423166422 1072502177 /nfs/dbraw/zinc/50/21/77/1072502177.db2.gz ZEFIWUAXOOQXAD-OAHLLOKOSA-N 1 0 391.472 -0.295 20 0 GBADRO CC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000423166918 1072501747 /nfs/dbraw/zinc/50/17/47/1072501747.db2.gz ZWCJBHPHVKQYSK-ARFHVFGLSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000423166919 1072502028 /nfs/dbraw/zinc/50/20/28/1072502028.db2.gz ZWCJBHPHVKQYSK-BZUAXINKSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000423166920 1072502445 /nfs/dbraw/zinc/50/24/45/1072502445.db2.gz ZWCJBHPHVKQYSK-OAGGEKHMSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000423166921 1072501766 /nfs/dbraw/zinc/50/17/66/1072501766.db2.gz ZWCJBHPHVKQYSK-XHSDSOJGSA-N 1 0 380.489 -0.269 20 0 GBADRO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423167622 1072501692 /nfs/dbraw/zinc/50/16/92/1072501692.db2.gz SQEAVTZJDKGWOB-UHFFFAOYSA-N 1 0 394.859 -0.179 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000423170107 1072502404 /nfs/dbraw/zinc/50/24/04/1072502404.db2.gz XNAQZWCUPZHWIW-AWEZNQCLSA-N 1 0 394.859 -0.051 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000423170108 1072501814 /nfs/dbraw/zinc/50/18/14/1072501814.db2.gz XNAQZWCUPZHWIW-CQSZACIVSA-N 1 0 394.859 -0.051 20 0 GBADRO COCCCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423170134 1072502271 /nfs/dbraw/zinc/50/22/71/1072502271.db2.gz LBWWBUIWJGDQCR-INIZCTEOSA-N 1 0 398.504 -0.832 20 0 GBADRO COCCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423170135 1072501839 /nfs/dbraw/zinc/50/18/39/1072501839.db2.gz LBWWBUIWJGDQCR-MRXNPFEDSA-N 1 0 398.504 -0.832 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423174657 1072988639 /nfs/dbraw/zinc/98/86/39/1072988639.db2.gz BQRGCAWJJQLRKS-UHFFFAOYSA-N 1 0 382.486 -0.413 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000423175821 1072502496 /nfs/dbraw/zinc/50/24/96/1072502496.db2.gz FGJNFQRJWNRFCQ-UHFFFAOYSA-N 1 0 390.440 -0.580 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423175831 1072502127 /nfs/dbraw/zinc/50/21/27/1072502127.db2.gz FILNPHPKSWAYCU-BKEDOTJMSA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423175832 1072502057 /nfs/dbraw/zinc/50/20/57/1072502057.db2.gz FILNPHPKSWAYCU-DEXNDLTESA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423175833 1072502135 /nfs/dbraw/zinc/50/21/35/1072502135.db2.gz FILNPHPKSWAYCU-MMMWYMCRSA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423175834 1072502145 /nfs/dbraw/zinc/50/21/45/1072502145.db2.gz FILNPHPKSWAYCU-NXEZDXNNSA-N 1 0 382.505 -0.181 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000423175883 1072501872 /nfs/dbraw/zinc/50/18/72/1072501872.db2.gz FKTGUNNKBDFPHG-FZKCQIBNSA-N 1 0 380.489 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000423175884 1072501939 /nfs/dbraw/zinc/50/19/39/1072501939.db2.gz FKTGUNNKBDFPHG-QKPAOTATSA-N 1 0 380.489 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000423175885 1072502351 /nfs/dbraw/zinc/50/23/51/1072502351.db2.gz FKTGUNNKBDFPHG-QXSJWSMHSA-N 1 0 380.489 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)O1 ZINC000423175886 1072502184 /nfs/dbraw/zinc/50/21/84/1072502184.db2.gz FKTGUNNKBDFPHG-XUWVNRHRSA-N 1 0 380.489 -0.271 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000423176479 1072502112 /nfs/dbraw/zinc/50/21/12/1072502112.db2.gz GBHLCYWHASWCBX-CAOSSQGBSA-N 1 0 380.489 -0.414 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000423176480 1072502261 /nfs/dbraw/zinc/50/22/61/1072502261.db2.gz GBHLCYWHASWCBX-JJXSEGSLSA-N 1 0 380.489 -0.414 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000423176481 1072502364 /nfs/dbraw/zinc/50/23/64/1072502364.db2.gz GBHLCYWHASWCBX-JONQDZQNSA-N 1 0 380.489 -0.414 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000423176482 1072502337 /nfs/dbraw/zinc/50/23/37/1072502337.db2.gz GBHLCYWHASWCBX-ZJIFWQFVSA-N 1 0 380.489 -0.414 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000423176553 1073496715 /nfs/dbraw/zinc/49/67/15/1073496715.db2.gz GKASSXLTEMMKRW-SPYBWZPUSA-N 1 0 380.489 -0.269 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423176597 1072502465 /nfs/dbraw/zinc/50/24/65/1072502465.db2.gz HFBGIWDCQYNGAA-UHFFFAOYSA-N 1 0 396.513 -0.023 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000423177814 1072503044 /nfs/dbraw/zinc/50/30/44/1072503044.db2.gz JPNLAYICIOYUGI-AWEZNQCLSA-N 1 0 380.470 -0.531 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000423177815 1072503181 /nfs/dbraw/zinc/50/31/81/1072503181.db2.gz JPNLAYICIOYUGI-CQSZACIVSA-N 1 0 380.470 -0.531 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000423177848 1072503386 /nfs/dbraw/zinc/50/33/86/1072503386.db2.gz JSZUFPUHVXDRQR-HNNXBMFYSA-N 1 0 394.497 -0.270 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000423177849 1072503302 /nfs/dbraw/zinc/50/33/02/1072503302.db2.gz JSZUFPUHVXDRQR-OAHLLOKOSA-N 1 0 394.497 -0.270 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 ZINC000423179814 1072503144 /nfs/dbraw/zinc/50/31/44/1072503144.db2.gz AFKZKWYNKQJWHF-CYBMUJFWSA-N 1 0 396.410 -0.714 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 ZINC000423179815 1072502996 /nfs/dbraw/zinc/50/29/96/1072502996.db2.gz AFKZKWYNKQJWHF-ZDUSSCGKSA-N 1 0 396.410 -0.714 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423181562 1072503247 /nfs/dbraw/zinc/50/32/47/1072503247.db2.gz LFCCDWDXGMJUER-ARFHVFGLSA-N 1 0 382.505 -0.037 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423181564 1072503289 /nfs/dbraw/zinc/50/32/89/1072503289.db2.gz LFCCDWDXGMJUER-BZUAXINKSA-N 1 0 382.505 -0.037 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423181566 1072503470 /nfs/dbraw/zinc/50/34/70/1072503470.db2.gz LFCCDWDXGMJUER-HRCADAONSA-N 1 0 382.505 -0.037 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423181568 1072503134 /nfs/dbraw/zinc/50/31/34/1072503134.db2.gz LFCCDWDXGMJUER-OWCLPIDISA-N 1 0 382.505 -0.037 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)cs1 ZINC000423181976 1072503313 /nfs/dbraw/zinc/50/33/13/1072503313.db2.gz DKIIVLRCWBEUHV-HNNXBMFYSA-N 1 0 395.529 -0.074 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)cs1 ZINC000423181977 1072503121 /nfs/dbraw/zinc/50/31/21/1072503121.db2.gz DKIIVLRCWBEUHV-OAHLLOKOSA-N 1 0 395.529 -0.074 20 0 GBADRO COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)CC2 ZINC000423182852 1072501441 /nfs/dbraw/zinc/50/14/41/1072501441.db2.gz FVABMJWNAKBMKH-HNNXBMFYSA-N 1 0 388.468 -0.107 20 0 GBADRO COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)CC2 ZINC000423182853 1072501491 /nfs/dbraw/zinc/50/14/91/1072501491.db2.gz FVABMJWNAKBMKH-OAHLLOKOSA-N 1 0 388.468 -0.107 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423183000 1072501116 /nfs/dbraw/zinc/50/11/16/1072501116.db2.gz MGKIPVICZDDJDZ-CLCXKQKWSA-N 1 0 380.489 -0.412 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423183001 1072501308 /nfs/dbraw/zinc/50/13/08/1072501308.db2.gz MGKIPVICZDDJDZ-KHYOSLBOSA-N 1 0 380.489 -0.412 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423183002 1072501354 /nfs/dbraw/zinc/50/13/54/1072501354.db2.gz MGKIPVICZDDJDZ-QMTMVMCOSA-N 1 0 380.489 -0.412 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423183005 1072501159 /nfs/dbraw/zinc/50/11/59/1072501159.db2.gz MGKIPVICZDDJDZ-SPYBWZPUSA-N 1 0 380.489 -0.412 20 0 GBADRO CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423183091 1072501178 /nfs/dbraw/zinc/50/11/78/1072501178.db2.gz KZUPAECRWIHIML-CVEARBPZSA-N 1 0 380.489 -0.316 20 0 GBADRO CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423183093 1072500797 /nfs/dbraw/zinc/50/07/97/1072500797.db2.gz KZUPAECRWIHIML-HOTGVXAUSA-N 1 0 380.489 -0.316 20 0 GBADRO CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423183095 1072500892 /nfs/dbraw/zinc/50/08/92/1072500892.db2.gz KZUPAECRWIHIML-HZPDHXFCSA-N 1 0 380.489 -0.316 20 0 GBADRO CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423183502 1072500969 /nfs/dbraw/zinc/50/09/69/1072500969.db2.gz KZUPAECRWIHIML-JKSUJKDBSA-N 1 0 380.489 -0.316 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423185693 1072501322 /nfs/dbraw/zinc/50/13/22/1072501322.db2.gz VOWXBEWZHYBBBA-HNNXBMFYSA-N 1 0 394.497 -0.270 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423185694 1072500863 /nfs/dbraw/zinc/50/08/63/1072500863.db2.gz VOWXBEWZHYBBBA-OAHLLOKOSA-N 1 0 394.497 -0.270 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000423186292 1072501801 /nfs/dbraw/zinc/50/18/01/1072501801.db2.gz OFJLLSDTCMDJKZ-CAOSSQGBSA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423186293 1072502081 /nfs/dbraw/zinc/50/20/81/1072502081.db2.gz OFJLLSDTCMDJKZ-JONQDZQNSA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000423186294 1072501781 /nfs/dbraw/zinc/50/17/81/1072501781.db2.gz OFJLLSDTCMDJKZ-QKPAOTATSA-N 1 0 382.505 -0.181 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423186295 1072501894 /nfs/dbraw/zinc/50/18/94/1072501894.db2.gz OFJLLSDTCMDJKZ-QXSJWSMHSA-N 1 0 382.505 -0.181 20 0 GBADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)CC2 ZINC000423186339 1072502428 /nfs/dbraw/zinc/50/24/28/1072502428.db2.gz LBQGAGGCVJTIAC-HNNXBMFYSA-N 1 0 377.441 -0.183 20 0 GBADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)CC2 ZINC000423186583 1072501072 /nfs/dbraw/zinc/50/10/72/1072501072.db2.gz LBQGAGGCVJTIAC-OAHLLOKOSA-N 1 0 377.441 -0.183 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000423186778 1072502964 /nfs/dbraw/zinc/50/29/64/1072502964.db2.gz XICMQPGIPXTGRH-OAHLLOKOSA-N 1 0 394.497 -0.141 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423186805 1072502763 /nfs/dbraw/zinc/50/27/63/1072502763.db2.gz ORXWRCLXJAQULG-FPCVCCKLSA-N 1 0 380.489 -0.271 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423186806 1072503990 /nfs/dbraw/zinc/50/39/90/1072503990.db2.gz ORXWRCLXJAQULG-QXSJWSMHSA-N 1 0 380.489 -0.271 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423186807 1072504115 /nfs/dbraw/zinc/50/41/15/1072504115.db2.gz ORXWRCLXJAQULG-XUWVNRHRSA-N 1 0 380.489 -0.271 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000423186808 1072504290 /nfs/dbraw/zinc/50/42/90/1072504290.db2.gz ORXWRCLXJAQULG-YHUYYLMFSA-N 1 0 380.489 -0.271 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423186809 1072504285 /nfs/dbraw/zinc/50/42/85/1072504285.db2.gz OSINDCGFPNHHBS-CAOSSQGBSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423186810 1072503780 /nfs/dbraw/zinc/50/37/80/1072503780.db2.gz OSINDCGFPNHHBS-JJXSEGSLSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423186811 1072504204 /nfs/dbraw/zinc/50/42/04/1072504204.db2.gz OSINDCGFPNHHBS-JONQDZQNSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423186812 1072504216 /nfs/dbraw/zinc/50/42/16/1072504216.db2.gz OSINDCGFPNHHBS-ZJIFWQFVSA-N 1 0 380.489 -0.556 20 0 GBADRO O=C(C(=O)N1CCN(CCCOCC(F)(F)F)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423187333 1072503424 /nfs/dbraw/zinc/50/34/24/1072503424.db2.gz MMCSXAXTIFBWGC-OKILXGFUSA-N 1 0 392.422 -0.223 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423187471 1072503171 /nfs/dbraw/zinc/50/31/71/1072503171.db2.gz PPNFOZNFGGZSFP-FIDHJVLJSA-N 1 0 394.516 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423187472 1072503257 /nfs/dbraw/zinc/50/32/57/1072503257.db2.gz PPNFOZNFGGZSFP-KSWRQPAISA-N 1 0 394.516 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423187473 1072503450 /nfs/dbraw/zinc/50/34/50/1072503450.db2.gz PPNFOZNFGGZSFP-SIRPWMCASA-N 1 0 394.516 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423187474 1072503243 /nfs/dbraw/zinc/50/32/43/1072503243.db2.gz PPNFOZNFGGZSFP-ZOFXXKQRSA-N 1 0 394.516 -0.038 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000423187846 1072504299 /nfs/dbraw/zinc/50/42/99/1072504299.db2.gz NCPCBMFFLFXZOE-CYBMUJFWSA-N 1 0 380.411 -0.080 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000423187847 1072504225 /nfs/dbraw/zinc/50/42/25/1072504225.db2.gz NCPCBMFFLFXZOE-ZDUSSCGKSA-N 1 0 380.411 -0.080 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423188130 1072503747 /nfs/dbraw/zinc/50/37/47/1072503747.db2.gz QHGRRZAMUVYDQE-JXXFODFXSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423188143 1072503942 /nfs/dbraw/zinc/50/39/42/1072503942.db2.gz QHGRRZAMUVYDQE-QINHECLXSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000423188148 1072503854 /nfs/dbraw/zinc/50/38/54/1072503854.db2.gz QHGRRZAMUVYDQE-RZQQEMMASA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000423188151 1072504073 /nfs/dbraw/zinc/50/40/73/1072504073.db2.gz QHGRRZAMUVYDQE-YRNRMSPPSA-N 1 0 394.516 -0.022 20 0 GBADRO O=C(C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000423188943 1072503865 /nfs/dbraw/zinc/50/38/65/1072503865.db2.gz ZWVCFDUBNFCCRL-UHFFFAOYSA-N 1 0 380.470 -0.659 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cs1 ZINC000423189285 1072504211 /nfs/dbraw/zinc/50/42/11/1072504211.db2.gz OXMSVACSLQJHQY-AWEZNQCLSA-N 1 0 381.502 -0.464 20 0 GBADRO CCc1nc(CN2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cs1 ZINC000423189286 1072504093 /nfs/dbraw/zinc/50/40/93/1072504093.db2.gz OXMSVACSLQJHQY-CQSZACIVSA-N 1 0 381.502 -0.464 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000423190905 1072503907 /nfs/dbraw/zinc/50/39/07/1072503907.db2.gz SECXROYLEPDCET-CAOSSQGBSA-N 1 0 382.505 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000423190907 1072504172 /nfs/dbraw/zinc/50/41/72/1072504172.db2.gz SECXROYLEPDCET-XUWVNRHRSA-N 1 0 382.505 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000423190909 1072504135 /nfs/dbraw/zinc/50/41/35/1072504135.db2.gz SECXROYLEPDCET-YHUYYLMFSA-N 1 0 382.505 -0.038 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000423190911 1072504269 /nfs/dbraw/zinc/50/42/69/1072504269.db2.gz SECXROYLEPDCET-ZJIFWQFVSA-N 1 0 382.505 -0.038 20 0 GBADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000423191460 1072503721 /nfs/dbraw/zinc/50/37/21/1072503721.db2.gz SZAMSNGOMUDJMQ-KRWDZBQOSA-N 1 0 393.532 -0.401 20 0 GBADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000423191461 1072504052 /nfs/dbraw/zinc/50/40/52/1072504052.db2.gz SZAMSNGOMUDJMQ-QGZVFWFLSA-N 1 0 393.532 -0.401 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000423191608 1072504345 /nfs/dbraw/zinc/50/43/45/1072504345.db2.gz TVMFVRWDMYXGLJ-CYBMUJFWSA-N 1 0 380.411 -0.080 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000423191611 1072503792 /nfs/dbraw/zinc/50/37/92/1072503792.db2.gz TVMFVRWDMYXGLJ-ZDUSSCGKSA-N 1 0 380.411 -0.080 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)C[C@H]1[NH3+] ZINC000423192182 1072504154 /nfs/dbraw/zinc/50/41/54/1072504154.db2.gz UQADEFGKUZBGQD-CHWSQXEVSA-N 1 0 380.411 -0.095 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423193255 1072503754 /nfs/dbraw/zinc/50/37/54/1072503754.db2.gz VQRQSGKLGWGZBZ-CVEARBPZSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423193256 1072504197 /nfs/dbraw/zinc/50/41/97/1072504197.db2.gz VQRQSGKLGWGZBZ-HOTGVXAUSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423193257 1072503893 /nfs/dbraw/zinc/50/38/93/1072503893.db2.gz VQRQSGKLGWGZBZ-HZPDHXFCSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423193258 1072504023 /nfs/dbraw/zinc/50/40/23/1072504023.db2.gz VQRQSGKLGWGZBZ-JKSUJKDBSA-N 1 0 394.516 -0.022 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000423194543 1072504011 /nfs/dbraw/zinc/50/40/11/1072504011.db2.gz WTMBPIKNPNBUIF-CYBMUJFWSA-N 1 0 390.440 -0.452 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c(OC)c1 ZINC000423194544 1072503965 /nfs/dbraw/zinc/50/39/65/1072503965.db2.gz WTMBPIKNPNBUIF-ZDUSSCGKSA-N 1 0 390.440 -0.452 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000423194745 1072503926 /nfs/dbraw/zinc/50/39/26/1072503926.db2.gz YNIPFWDSURWFTA-INIZCTEOSA-N 1 0 392.529 -0.707 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2cscn2)CC1 ZINC000423194746 1072504298 /nfs/dbraw/zinc/50/42/98/1072504298.db2.gz YNIPFWDSURWFTA-MRXNPFEDSA-N 1 0 392.529 -0.707 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000423195309 1072504274 /nfs/dbraw/zinc/50/42/74/1072504274.db2.gz XQGNIEQRISIQNU-CAOSSQGBSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423195310 1072504039 /nfs/dbraw/zinc/50/40/39/1072504039.db2.gz XQGNIEQRISIQNU-JJXSEGSLSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423195311 1072503841 /nfs/dbraw/zinc/50/38/41/1072503841.db2.gz XQGNIEQRISIQNU-JONQDZQNSA-N 1 0 380.489 -0.556 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000423195312 1072504106 /nfs/dbraw/zinc/50/41/06/1072504106.db2.gz XQGNIEQRISIQNU-ZJIFWQFVSA-N 1 0 380.489 -0.556 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)s1 ZINC000423195635 1072504181 /nfs/dbraw/zinc/50/41/81/1072504181.db2.gz ZTODAHNGXAVMDX-CYBMUJFWSA-N 1 0 380.470 -0.473 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)s1 ZINC000423195636 1072504144 /nfs/dbraw/zinc/50/41/44/1072504144.db2.gz ZTODAHNGXAVMDX-ZDUSSCGKSA-N 1 0 380.470 -0.473 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c(OC)c1 ZINC000423196328 1072504281 /nfs/dbraw/zinc/50/42/81/1072504281.db2.gz ZLGQNCYWUHZKDX-UHFFFAOYSA-N 1 0 378.429 -0.595 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423196527 1072503828 /nfs/dbraw/zinc/50/38/28/1072503828.db2.gz ZYISAPDBQDMNTJ-CVEARBPZSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423196528 1072503767 /nfs/dbraw/zinc/50/37/67/1072503767.db2.gz ZYISAPDBQDMNTJ-HOTGVXAUSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423196529 1072504309 /nfs/dbraw/zinc/50/43/09/1072504309.db2.gz ZYISAPDBQDMNTJ-HZPDHXFCSA-N 1 0 394.516 -0.022 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423196530 1072504189 /nfs/dbraw/zinc/50/41/89/1072504189.db2.gz ZYISAPDBQDMNTJ-JKSUJKDBSA-N 1 0 394.516 -0.022 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)c1 ZINC000423197615 1072504317 /nfs/dbraw/zinc/50/43/17/1072504317.db2.gz ABLWQSNWZVWLOY-RHSMWYFYSA-N 1 0 388.468 -0.286 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000423197702 1072504740 /nfs/dbraw/zinc/50/47/40/1072504740.db2.gz AQTWHGLQAJLCPS-UHFFFAOYSA-N 1 0 390.484 -0.024 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000423198203 1072994925 /nfs/dbraw/zinc/99/49/25/1072994925.db2.gz DPUFJKHVDDWKSY-UHFFFAOYSA-N 1 0 376.457 -0.414 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000423198227 1072504247 /nfs/dbraw/zinc/50/42/47/1072504247.db2.gz DTRJDHYVVSXFMA-HNNXBMFYSA-N 1 0 388.468 -0.271 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000423198228 1072505266 /nfs/dbraw/zinc/50/52/66/1072505266.db2.gz DTRJDHYVVSXFMA-OAHLLOKOSA-N 1 0 388.468 -0.271 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000423198229 1072504862 /nfs/dbraw/zinc/50/48/62/1072504862.db2.gz DTRZNDAREUBBCY-UHFFFAOYSA-N 1 0 376.457 -0.284 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000423198252 1072504983 /nfs/dbraw/zinc/50/49/83/1072504983.db2.gz DWEZGUOJNXOITK-GASCZTMLSA-N 1 0 389.456 0.513 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)no1 ZINC000423198288 1072505131 /nfs/dbraw/zinc/50/51/31/1072505131.db2.gz FAUJKAPSNVNGCB-RYUDHWBXSA-N 1 0 377.445 0.369 20 0 GBADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423198301 1072505293 /nfs/dbraw/zinc/50/52/93/1072505293.db2.gz FBZGMKGYKDFOFN-UHFFFAOYSA-N 1 0 383.470 -0.251 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000423198499 1072995100 /nfs/dbraw/zinc/99/51/00/1072995100.db2.gz GFVSHMWQLRORPO-UHFFFAOYSA-N 1 0 390.484 -0.024 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423198719 1072504889 /nfs/dbraw/zinc/50/48/89/1072504889.db2.gz HLSJFUFZQOCHAG-HNNXBMFYSA-N 1 0 376.432 -0.011 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423198720 1072505217 /nfs/dbraw/zinc/50/52/17/1072505217.db2.gz HLSJFUFZQOCHAG-OAHLLOKOSA-N 1 0 376.432 -0.011 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423198992 1072505287 /nfs/dbraw/zinc/50/52/87/1072505287.db2.gz IZXGUXYOAQAXDS-INIZCTEOSA-N 1 0 388.468 -0.142 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423198993 1072504747 /nfs/dbraw/zinc/50/47/47/1072504747.db2.gz IZXGUXYOAQAXDS-MRXNPFEDSA-N 1 0 388.468 -0.142 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1OC ZINC000423199271 1072505338 /nfs/dbraw/zinc/50/53/38/1072505338.db2.gz BEVNQSJYQNXOPS-CYBMUJFWSA-N 1 0 390.440 -0.452 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1OC ZINC000423199272 1072505350 /nfs/dbraw/zinc/50/53/50/1072505350.db2.gz BEVNQSJYQNXOPS-ZDUSSCGKSA-N 1 0 390.440 -0.452 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000423199653 1072504854 /nfs/dbraw/zinc/50/48/54/1072504854.db2.gz KIKNLLGLPTVNIY-INIZCTEOSA-N 1 0 388.468 -0.142 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000423199654 1072505118 /nfs/dbraw/zinc/50/51/18/1072505118.db2.gz KIKNLLGLPTVNIY-MRXNPFEDSA-N 1 0 388.468 -0.142 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCO1 ZINC000423199990 1072504648 /nfs/dbraw/zinc/50/46/48/1072504648.db2.gz DCXMYWJATVHYDE-GFCCVEGCSA-N 1 0 396.394 -0.565 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCO1 ZINC000423199991 1072505308 /nfs/dbraw/zinc/50/53/08/1072505308.db2.gz DCXMYWJATVHYDE-LBPRGKRZSA-N 1 0 396.394 -0.565 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC[NH2+]1 ZINC000423200335 1072505085 /nfs/dbraw/zinc/50/50/85/1072505085.db2.gz LVOSBBQQMRNYNH-AWEZNQCLSA-N 1 0 376.432 -0.141 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC[NH2+]1 ZINC000423200336 1072504816 /nfs/dbraw/zinc/50/48/16/1072504816.db2.gz LVOSBBQQMRNYNH-CQSZACIVSA-N 1 0 376.432 -0.141 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000423200378 1072505257 /nfs/dbraw/zinc/50/52/57/1072505257.db2.gz MBWLEXDUTSFYSF-UHFFFAOYSA-N 1 0 376.432 -0.011 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 ZINC000423200551 1072505250 /nfs/dbraw/zinc/50/52/50/1072505250.db2.gz MLNREMUEGVQDSV-HNNXBMFYSA-N 1 0 392.431 -0.775 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 ZINC000423200552 1072505316 /nfs/dbraw/zinc/50/53/16/1072505316.db2.gz MLNREMUEGVQDSV-OAHLLOKOSA-N 1 0 392.431 -0.775 20 0 GBADRO CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423200573 1072505196 /nfs/dbraw/zinc/50/51/96/1072505196.db2.gz MPTHATCBJRGKDS-UHFFFAOYSA-N 1 0 383.470 -0.251 20 0 GBADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c(C)s1 ZINC000423200673 530356351 /nfs/dbraw/zinc/35/63/51/530356351.db2.gz GFZYHBSMJLHLBW-UHFFFAOYSA-N 1 0 388.515 -0.385 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423200906 1072504959 /nfs/dbraw/zinc/50/49/59/1072504959.db2.gz NIBUZKUSDFSHQN-HNNXBMFYSA-N 1 0 376.432 -0.141 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423200907 1072505331 /nfs/dbraw/zinc/50/53/31/1072505331.db2.gz NIBUZKUSDFSHQN-OAHLLOKOSA-N 1 0 376.432 -0.141 20 0 GBADRO O=C(Cc1ccccc1Cl)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423202268 1072505157 /nfs/dbraw/zinc/50/51/57/1072505157.db2.gz QNPPRXSLFYBGGP-UHFFFAOYSA-N 1 0 378.860 -0.015 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000423202895 1072504907 /nfs/dbraw/zinc/50/49/07/1072504907.db2.gz RRYMZKJNWCMZGI-INIZCTEOSA-N 1 0 388.468 -0.271 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000423202896 1072504615 /nfs/dbraw/zinc/50/46/15/1072504615.db2.gz RRYMZKJNWCMZGI-MRXNPFEDSA-N 1 0 388.468 -0.271 20 0 GBADRO COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423203193 1072504772 /nfs/dbraw/zinc/50/47/72/1072504772.db2.gz RUAXDPBHXQTDIS-UHFFFAOYSA-N 1 0 388.468 -0.270 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423203529 1072505006 /nfs/dbraw/zinc/50/50/06/1072505006.db2.gz SMILVJVPAAVRTC-IYBDPMFKSA-N 1 0 388.443 -0.283 20 0 GBADRO O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423204032 1072505180 /nfs/dbraw/zinc/50/51/80/1072505180.db2.gz TYGUDKDAUYXEFM-UHFFFAOYSA-N 1 0 376.432 -0.139 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1OC ZINC000423204119 1072505041 /nfs/dbraw/zinc/50/50/41/1072505041.db2.gz NQEPWPUUCGQFHO-UHFFFAOYSA-N 1 0 390.440 -0.580 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C[C@H]1[NH3+] ZINC000423207680 1072503337 /nfs/dbraw/zinc/50/33/37/1072503337.db2.gz YCXDNVHVRBOVRJ-CZUORRHYSA-N 1 0 376.432 -0.155 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC000423208054 1072503188 /nfs/dbraw/zinc/50/31/88/1072503188.db2.gz YMSBFDLCKWOBOV-INIZCTEOSA-N 1 0 376.432 -0.011 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC000423208055 1072503221 /nfs/dbraw/zinc/50/32/21/1072503221.db2.gz YMSBFDLCKWOBOV-MRXNPFEDSA-N 1 0 376.432 -0.011 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423209129 1072503160 /nfs/dbraw/zinc/50/31/60/1072503160.db2.gz ZQSQJTHZXKFYPA-AWEZNQCLSA-N 1 0 376.432 -0.154 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000423209131 1072502814 /nfs/dbraw/zinc/50/28/14/1072502814.db2.gz ZQSQJTHZXKFYPA-CQSZACIVSA-N 1 0 376.432 -0.154 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1OC ZINC000423210168 1072503210 /nfs/dbraw/zinc/50/32/10/1072503210.db2.gz WDERKNXOZCJDRM-UHFFFAOYSA-N 1 0 378.429 -0.595 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCO1 ZINC000423210869 1072503232 /nfs/dbraw/zinc/50/32/32/1072503232.db2.gz GLVYDHUCBNAZMT-CABCVRRESA-N 1 0 393.419 -0.266 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCO1 ZINC000423210870 1072502801 /nfs/dbraw/zinc/50/28/01/1072502801.db2.gz GLVYDHUCBNAZMT-GJZGRUSLSA-N 1 0 393.419 -0.266 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCO1 ZINC000423210871 1072503395 /nfs/dbraw/zinc/50/33/95/1072503395.db2.gz GLVYDHUCBNAZMT-HUUCEWRRSA-N 1 0 393.419 -0.266 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CCO1 ZINC000423210872 1072502916 /nfs/dbraw/zinc/50/29/16/1072502916.db2.gz GLVYDHUCBNAZMT-LSDHHAIUSA-N 1 0 393.419 -0.266 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N(C)CC[NH3+])CC2)nc1 ZINC000423213436 1072502785 /nfs/dbraw/zinc/50/27/85/1072502785.db2.gz LELCQCXSCJMFCV-UHFFFAOYSA-N 1 0 377.445 -0.286 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC000423215805 1072505646 /nfs/dbraw/zinc/50/56/46/1072505646.db2.gz OWZXGRCLIJHFRZ-UHFFFAOYSA-N 1 0 389.456 -0.271 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)nc1 ZINC000423217360 1072505707 /nfs/dbraw/zinc/50/57/07/1072505707.db2.gz RXYUBYWHKPLEMG-HNNXBMFYSA-N 1 0 389.456 -0.143 20 0 GBADRO CCOC(=O)c1ccc(N2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC000423217361 1072506283 /nfs/dbraw/zinc/50/62/83/1072506283.db2.gz RXYUBYWHKPLEMG-OAHLLOKOSA-N 1 0 389.456 -0.143 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc21 ZINC000423219476 1072505690 /nfs/dbraw/zinc/50/56/90/1072505690.db2.gz XAOSMYUSCMAABL-GDBMZVCRSA-N 1 0 375.425 -0.138 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc21 ZINC000423219477 1072505624 /nfs/dbraw/zinc/50/56/24/1072505624.db2.gz XAOSMYUSCMAABL-GOEBONIOSA-N 1 0 375.425 -0.138 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc21 ZINC000423219478 1072505713 /nfs/dbraw/zinc/50/57/13/1072505713.db2.gz XAOSMYUSCMAABL-HOCLYGCPSA-N 1 0 375.425 -0.138 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc21 ZINC000423219479 1072505790 /nfs/dbraw/zinc/50/57/90/1072505790.db2.gz XAOSMYUSCMAABL-ZBFHGGJFSA-N 1 0 375.425 -0.138 20 0 GBADRO CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423219563 1072506251 /nfs/dbraw/zinc/50/62/51/1072506251.db2.gz UHASCNAERAXZKH-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423219565 1072505740 /nfs/dbraw/zinc/50/57/40/1072505740.db2.gz UHASCNAERAXZKH-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423219567 1072505973 /nfs/dbraw/zinc/50/59/73/1072505973.db2.gz UHASCNAERAXZKH-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423219570 1072506211 /nfs/dbraw/zinc/50/62/11/1072506211.db2.gz UHASCNAERAXZKH-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423221635 1072506991 /nfs/dbraw/zinc/50/69/91/1072506991.db2.gz XIYAUKVTOLKEKC-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423221636 1072507229 /nfs/dbraw/zinc/50/72/29/1072507229.db2.gz XIYAUKVTOLKEKC-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423221637 1072506718 /nfs/dbraw/zinc/50/67/18/1072506718.db2.gz XIYAUKVTOLKEKC-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423221638 1072506756 /nfs/dbraw/zinc/50/67/56/1072506756.db2.gz XIYAUKVTOLKEKC-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423223798 1072506783 /nfs/dbraw/zinc/50/67/83/1072506783.db2.gz APRMOHZWUJLGPZ-INIZCTEOSA-N 1 0 388.468 -0.148 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423223799 1072507219 /nfs/dbraw/zinc/50/72/19/1072507219.db2.gz APRMOHZWUJLGPZ-MRXNPFEDSA-N 1 0 388.468 -0.148 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)C1 ZINC000423223859 1072507172 /nfs/dbraw/zinc/50/71/72/1072507172.db2.gz AZOKVICAICMNAS-INIZCTEOSA-N 1 0 388.468 -0.135 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)C1 ZINC000423223860 1072507086 /nfs/dbraw/zinc/50/70/86/1072507086.db2.gz AZOKVICAICMNAS-MRXNPFEDSA-N 1 0 388.468 -0.135 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CCO1 ZINC000423225778 1072506672 /nfs/dbraw/zinc/50/66/72/1072506672.db2.gz OEYGLVSJPXASIT-DLBZAZTESA-N 1 0 388.468 -0.016 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CCO1 ZINC000423225779 1072507135 /nfs/dbraw/zinc/50/71/35/1072507135.db2.gz OEYGLVSJPXASIT-IAGOWNOFSA-N 1 0 388.468 -0.016 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CCO1 ZINC000423225780 1072506646 /nfs/dbraw/zinc/50/66/46/1072506646.db2.gz OEYGLVSJPXASIT-IRXDYDNUSA-N 1 0 388.468 -0.016 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CCO1 ZINC000423225781 1072506818 /nfs/dbraw/zinc/50/68/18/1072506818.db2.gz OEYGLVSJPXASIT-SJORKVTESA-N 1 0 388.468 -0.016 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423228699 1072506824 /nfs/dbraw/zinc/50/68/24/1072506824.db2.gz DUHXZYGGMYJMMF-CABCVRRESA-N 1 0 395.504 -0.935 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423228700 1072506747 /nfs/dbraw/zinc/50/67/47/1072506747.db2.gz DUHXZYGGMYJMMF-GJZGRUSLSA-N 1 0 395.504 -0.935 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423228701 1072507199 /nfs/dbraw/zinc/50/71/99/1072507199.db2.gz DUHXZYGGMYJMMF-HUUCEWRRSA-N 1 0 395.504 -0.935 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423228702 1072506793 /nfs/dbraw/zinc/50/67/93/1072506793.db2.gz DUHXZYGGMYJMMF-LSDHHAIUSA-N 1 0 395.504 -0.935 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000423228740 1072506904 /nfs/dbraw/zinc/50/69/04/1072506904.db2.gz DZQRZYYTJIJSKH-DOTOQJQBSA-N 1 0 388.468 -0.150 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000423228741 1072506738 /nfs/dbraw/zinc/50/67/38/1072506738.db2.gz DZQRZYYTJIJSKH-NVXWUHKLSA-N 1 0 388.468 -0.150 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000423228742 1072506631 /nfs/dbraw/zinc/50/66/31/1072506631.db2.gz DZQRZYYTJIJSKH-RDJZCZTQSA-N 1 0 388.468 -0.150 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2)cc1 ZINC000423228743 1072506874 /nfs/dbraw/zinc/50/68/74/1072506874.db2.gz DZQRZYYTJIJSKH-WBVHZDCISA-N 1 0 388.468 -0.150 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423228893 1072506803 /nfs/dbraw/zinc/50/68/03/1072506803.db2.gz FTOAZGLJTAHMOO-INIZCTEOSA-N 1 0 388.468 -0.135 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000423228894 1072506965 /nfs/dbraw/zinc/50/69/65/1072506965.db2.gz FTOAZGLJTAHMOO-MRXNPFEDSA-N 1 0 388.468 -0.135 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423231735 1072506834 /nfs/dbraw/zinc/50/68/34/1072506834.db2.gz LNMHDGNVQJWVOF-CVEARBPZSA-N 1 0 379.505 -0.743 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423231736 1072506882 /nfs/dbraw/zinc/50/68/82/1072506882.db2.gz LNMHDGNVQJWVOF-HOTGVXAUSA-N 1 0 379.505 -0.743 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423231737 1072507036 /nfs/dbraw/zinc/50/70/36/1072507036.db2.gz LNMHDGNVQJWVOF-HZPDHXFCSA-N 1 0 379.505 -0.743 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423231738 1072507868 /nfs/dbraw/zinc/50/78/68/1072507868.db2.gz LNMHDGNVQJWVOF-JKSUJKDBSA-N 1 0 379.505 -0.743 20 0 GBADRO CC(C)(O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423232132 1072507099 /nfs/dbraw/zinc/50/70/99/1072507099.db2.gz HMZCWHZDJNSEKA-DOTOQJQBSA-N 1 0 392.475 -0.006 20 0 GBADRO Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423232160 1072507051 /nfs/dbraw/zinc/50/70/51/1072507051.db2.gz HQDWOFHPFYQKFC-HDICACEKSA-N 1 0 384.480 -0.114 20 0 GBADRO CN(CCN1CCOCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423232640 1072507067 /nfs/dbraw/zinc/50/70/67/1072507067.db2.gz CFMDXACAPZUJJW-DOTOQJQBSA-N 1 0 378.448 -0.131 20 0 GBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423233106 1072508065 /nfs/dbraw/zinc/50/80/65/1072508065.db2.gz NYKGGNNDCIQIPB-KRWDZBQOSA-N 1 0 388.468 -0.606 20 0 GBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423233107 1072507933 /nfs/dbraw/zinc/50/79/33/1072507933.db2.gz NYKGGNNDCIQIPB-QGZVFWFLSA-N 1 0 388.468 -0.606 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCO1 ZINC000423233250 1072507639 /nfs/dbraw/zinc/50/76/39/1072507639.db2.gz DFJFHUWWDJXYKR-CYBMUJFWSA-N 1 0 396.394 -0.565 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CCO1 ZINC000423233251 1072507535 /nfs/dbraw/zinc/50/75/35/1072507535.db2.gz DFJFHUWWDJXYKR-ZDUSSCGKSA-N 1 0 396.394 -0.565 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCO1 ZINC000423233752 1072504628 /nfs/dbraw/zinc/50/46/28/1072504628.db2.gz OPKKGUIPUGILTG-RRFJBIMHSA-N 1 0 378.404 -0.818 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCO1 ZINC000423233753 1072505072 /nfs/dbraw/zinc/50/50/72/1072505072.db2.gz OPKKGUIPUGILTG-ZNMIVQPWSA-N 1 0 378.404 -0.818 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(=O)N(C)CC[NH3+])C2)cc1 ZINC000423234112 1072504795 /nfs/dbraw/zinc/50/47/95/1072504795.db2.gz KZNXXTVMPQANSJ-HNNXBMFYSA-N 1 0 396.513 -0.071 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(=O)N(C)CC[NH3+])C2)cc1 ZINC000423234124 1072505030 /nfs/dbraw/zinc/50/50/30/1072505030.db2.gz KZNXXTVMPQANSJ-OAHLLOKOSA-N 1 0 396.513 -0.071 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423235276 1072505278 /nfs/dbraw/zinc/50/52/78/1072505278.db2.gz QRWIWMOJTUVPQL-INIZCTEOSA-N 1 0 388.468 -0.006 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423235277 1072505237 /nfs/dbraw/zinc/50/52/37/1072505237.db2.gz QRWIWMOJTUVPQL-MRXNPFEDSA-N 1 0 388.468 -0.006 20 0 GBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423236711 1072506131 /nfs/dbraw/zinc/50/61/31/1072506131.db2.gz SGYRHGZKPNOXHO-HDICACEKSA-N 1 0 384.480 -0.114 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCO1 ZINC000423238922 1072505725 /nfs/dbraw/zinc/50/57/25/1072505725.db2.gz FVKLPLACDQGOLN-HNNXBMFYSA-N 1 0 399.451 -0.362 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCO1 ZINC000423238923 1072505669 /nfs/dbraw/zinc/50/56/69/1072505669.db2.gz FVKLPLACDQGOLN-OAHLLOKOSA-N 1 0 399.451 -0.362 20 0 GBADRO CC(C)(O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423242365 1072508781 /nfs/dbraw/zinc/50/87/81/1072508781.db2.gz VNAYTGPSIASBHV-DLBZAZTESA-N 1 0 392.475 -0.006 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423243097 1072508904 /nfs/dbraw/zinc/50/89/04/1072508904.db2.gz GFMZFCBYWCTPAW-KRWDZBQOSA-N 1 0 390.484 -0.084 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423243099 1072508912 /nfs/dbraw/zinc/50/89/12/1072508912.db2.gz GFMZFCBYWCTPAW-QGZVFWFLSA-N 1 0 390.484 -0.084 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000423243241 1072508504 /nfs/dbraw/zinc/50/85/04/1072508504.db2.gz ZSCYRGZPFKGCMP-UHFFFAOYSA-N 1 0 388.468 -0.006 20 0 GBADRO CN(CCN1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423244663 1072509524 /nfs/dbraw/zinc/50/95/24/1072509524.db2.gz NUVNJGMVJHSPKB-DLBZAZTESA-N 1 0 378.448 -0.131 20 0 GBADRO COCCN(CC(F)F)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423244802 1072510004 /nfs/dbraw/zinc/51/00/04/1072510004.db2.gz XTMGHBDVAKDRKX-CYBMUJFWSA-N 1 0 390.431 -0.603 20 0 GBADRO COCCN(CC(F)F)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423244804 1072510060 /nfs/dbraw/zinc/51/00/60/1072510060.db2.gz XTMGHBDVAKDRKX-ZDUSSCGKSA-N 1 0 390.431 -0.603 20 0 GBADRO Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423245169 1072509413 /nfs/dbraw/zinc/50/94/13/1072509413.db2.gz YGASTOPTCZYZDQ-KRWDZBQOSA-N 1 0 388.468 -0.606 20 0 GBADRO Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423245170 1072509706 /nfs/dbraw/zinc/50/97/06/1072509706.db2.gz YGASTOPTCZYZDQ-QGZVFWFLSA-N 1 0 388.468 -0.606 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423245997 1072509403 /nfs/dbraw/zinc/50/94/03/1072509403.db2.gz JMYQLQOUGIDOES-INIZCTEOSA-N 1 0 376.457 -0.475 20 0 GBADRO COc1ccccc1CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423245998 1072510166 /nfs/dbraw/zinc/51/01/66/1072510166.db2.gz JMYQLQOUGIDOES-MRXNPFEDSA-N 1 0 376.457 -0.475 20 0 GBADRO CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423250737 1072509642 /nfs/dbraw/zinc/50/96/42/1072509642.db2.gz VBPJNDXNRYBKAO-AWEZNQCLSA-N 1 0 397.428 -0.383 20 0 GBADRO CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423250738 1072509469 /nfs/dbraw/zinc/50/94/69/1072509469.db2.gz VBPJNDXNRYBKAO-CQSZACIVSA-N 1 0 397.428 -0.383 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423255015 1072510913 /nfs/dbraw/zinc/51/09/13/1072510913.db2.gz AJRIGQVBGJPIPR-IIAWOOMASA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423255016 1072510938 /nfs/dbraw/zinc/51/09/38/1072510938.db2.gz AJRIGQVBGJPIPR-IJEWVQPXSA-N 1 0 379.505 -0.617 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000423255063 1072996785 /nfs/dbraw/zinc/99/67/85/1072996785.db2.gz APUYLFCXMADPGY-UHFFFAOYSA-N 1 0 381.521 -0.497 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423255199 1072510947 /nfs/dbraw/zinc/51/09/47/1072510947.db2.gz BENHIPKHHDZZIO-CABCVRRESA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423255200 1072511002 /nfs/dbraw/zinc/51/10/02/1072511002.db2.gz BENHIPKHHDZZIO-GJZGRUSLSA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423255201 1072511210 /nfs/dbraw/zinc/51/12/10/1072511210.db2.gz BENHIPKHHDZZIO-HUUCEWRRSA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423255202 1072510464 /nfs/dbraw/zinc/51/04/64/1072510464.db2.gz BENHIPKHHDZZIO-LSDHHAIUSA-N 1 0 379.505 -0.602 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000423255320 1072510660 /nfs/dbraw/zinc/51/06/60/1072510660.db2.gz BQLCUBVQVVVXSF-HNNXBMFYSA-N 1 0 381.521 -0.354 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000423255321 1072510989 /nfs/dbraw/zinc/51/09/89/1072510989.db2.gz BQLCUBVQVVVXSF-OAHLLOKOSA-N 1 0 381.521 -0.354 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423255330 1072510696 /nfs/dbraw/zinc/51/06/96/1072510696.db2.gz BRKRNLSERXIYOP-UHFFFAOYSA-N 1 0 381.521 -0.353 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423255375 1072510597 /nfs/dbraw/zinc/51/05/97/1072510597.db2.gz BUNVLQJMTSEGGW-BZUAXINKSA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423255376 1072510487 /nfs/dbraw/zinc/51/04/87/1072510487.db2.gz BUNVLQJMTSEGGW-OAGGEKHMSA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423255377 1072510839 /nfs/dbraw/zinc/51/08/39/1072510839.db2.gz BUNVLQJMTSEGGW-OWCLPIDISA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423255378 1072511019 /nfs/dbraw/zinc/51/10/19/1072511019.db2.gz BUNVLQJMTSEGGW-XHSDSOJGSA-N 1 0 393.532 -0.213 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000423255547 1072510792 /nfs/dbraw/zinc/51/07/92/1072510792.db2.gz CDZRNWFHVPOQHA-UHFFFAOYSA-N 1 0 395.548 -0.107 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000423255792 1072511661 /nfs/dbraw/zinc/51/16/61/1072511661.db2.gz CTQZLRYIJXXLSS-UHFFFAOYSA-N 1 0 393.532 -0.223 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423255822 1072511581 /nfs/dbraw/zinc/51/15/81/1072511581.db2.gz CVWGPZUAENFZSK-CABCVRRESA-N 1 0 379.505 -0.472 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423255824 1072511901 /nfs/dbraw/zinc/51/19/01/1072511901.db2.gz CVWGPZUAENFZSK-GJZGRUSLSA-N 1 0 379.505 -0.472 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423255826 1072511993 /nfs/dbraw/zinc/51/19/93/1072511993.db2.gz CVWGPZUAENFZSK-HUUCEWRRSA-N 1 0 379.505 -0.472 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423255828 1072511909 /nfs/dbraw/zinc/51/19/09/1072511909.db2.gz CVWGPZUAENFZSK-LSDHHAIUSA-N 1 0 379.505 -0.472 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000423256120 1072511818 /nfs/dbraw/zinc/51/18/18/1072511818.db2.gz DOAWQHCRBXOUGS-UHFFFAOYSA-N 1 0 395.548 -0.010 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000423256244 1072996749 /nfs/dbraw/zinc/99/67/49/1072996749.db2.gz DQKGWQOWXWTYPZ-CVEARBPZSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000423256245 1072996804 /nfs/dbraw/zinc/99/68/04/1072996804.db2.gz DQKGWQOWXWTYPZ-HOTGVXAUSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000423256246 1072996844 /nfs/dbraw/zinc/99/68/44/1072996844.db2.gz DQKGWQOWXWTYPZ-HZPDHXFCSA-N 1 0 381.521 -0.497 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000423256247 1072997074 /nfs/dbraw/zinc/99/70/74/1072997074.db2.gz DQKGWQOWXWTYPZ-JKSUJKDBSA-N 1 0 381.521 -0.497 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000423256320 1072510577 /nfs/dbraw/zinc/51/05/77/1072510577.db2.gz DZFUIXIGRCXMKS-ARFHVFGLSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000423256321 1072510708 /nfs/dbraw/zinc/51/07/08/1072510708.db2.gz DZFUIXIGRCXMKS-BZUAXINKSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C1 ZINC000423256322 1072510623 /nfs/dbraw/zinc/51/06/23/1072510623.db2.gz DZFUIXIGRCXMKS-HRCADAONSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C1 ZINC000423256323 1072511165 /nfs/dbraw/zinc/51/11/65/1072511165.db2.gz DZFUIXIGRCXMKS-JYJNAYRXSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000423256324 1072510834 /nfs/dbraw/zinc/51/08/34/1072510834.db2.gz DZFUIXIGRCXMKS-OAGGEKHMSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C1 ZINC000423256325 1072511268 /nfs/dbraw/zinc/51/12/68/1072511268.db2.gz DZFUIXIGRCXMKS-OWCLPIDISA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C1 ZINC000423256326 1072510650 /nfs/dbraw/zinc/51/06/50/1072510650.db2.gz DZFUIXIGRCXMKS-PMPSAXMXSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C1 ZINC000423256327 1072511040 /nfs/dbraw/zinc/51/10/40/1072511040.db2.gz DZFUIXIGRCXMKS-XHSDSOJGSA-N 1 0 379.505 -0.615 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)C1 ZINC000423256491 1072511074 /nfs/dbraw/zinc/51/10/74/1072511074.db2.gz FICWBRYIBXHXNR-INIZCTEOSA-N 1 0 393.532 -0.258 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)C1 ZINC000423256492 1072510824 /nfs/dbraw/zinc/51/08/24/1072510824.db2.gz FICWBRYIBXHXNR-MRXNPFEDSA-N 1 0 393.532 -0.258 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423256638 1072511227 /nfs/dbraw/zinc/51/12/27/1072511227.db2.gz FMTLZDBIVDZSNM-HNNXBMFYSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423256639 1072510767 /nfs/dbraw/zinc/51/07/67/1072510767.db2.gz FMTLZDBIVDZSNM-OAHLLOKOSA-N 1 0 393.532 -0.225 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)Cc2ccccc21 ZINC000423256867 1072511889 /nfs/dbraw/zinc/51/18/89/1072511889.db2.gz GKAPRMXCNGEHKN-INIZCTEOSA-N 1 0 387.484 -0.222 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)Cc2ccccc21 ZINC000423256868 1072512035 /nfs/dbraw/zinc/51/20/35/1072512035.db2.gz GKAPRMXCNGEHKN-MRXNPFEDSA-N 1 0 387.484 -0.222 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423257263 1072512077 /nfs/dbraw/zinc/51/20/77/1072512077.db2.gz IKHZIXOKJZIVET-CVEARBPZSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423257264 1072511848 /nfs/dbraw/zinc/51/18/48/1072511848.db2.gz IKHZIXOKJZIVET-HOTGVXAUSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423257265 1072511792 /nfs/dbraw/zinc/51/17/92/1072511792.db2.gz IKHZIXOKJZIVET-HZPDHXFCSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423257266 1072512083 /nfs/dbraw/zinc/51/20/83/1072512083.db2.gz IKHZIXOKJZIVET-JKSUJKDBSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C[C@H]1[NH3+] ZINC000423257406 1072511957 /nfs/dbraw/zinc/51/19/57/1072511957.db2.gz JGTXKSWDSSCQTD-MNAZLIDISA-N 1 0 393.532 -0.369 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000423257492 1072997148 /nfs/dbraw/zinc/99/71/48/1072997148.db2.gz JRNKNGNXWYSWSN-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000423257586 1072511676 /nfs/dbraw/zinc/51/16/76/1072511676.db2.gz KFLVEYYYAUPCDD-AQFXKWCLSA-N 1 0 393.532 -0.367 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000423257587 1072511557 /nfs/dbraw/zinc/51/15/57/1072511557.db2.gz KFLVEYYYAUPCDD-CGZBRXJRSA-N 1 0 393.532 -0.367 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423257600 1072511491 /nfs/dbraw/zinc/51/14/91/1072511491.db2.gz KHLZLQYCBUVACN-HNNXBMFYSA-N 1 0 379.505 -0.471 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000423257972 1072511919 /nfs/dbraw/zinc/51/19/19/1072511919.db2.gz LCXLYHGASPTRHF-DLBZAZTESA-N 1 0 395.548 -0.107 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000423257973 1072511531 /nfs/dbraw/zinc/51/15/31/1072511531.db2.gz LCXLYHGASPTRHF-IAGOWNOFSA-N 1 0 395.548 -0.107 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000423257974 1072511507 /nfs/dbraw/zinc/51/15/07/1072511507.db2.gz LCXLYHGASPTRHF-IRXDYDNUSA-N 1 0 395.548 -0.107 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000423257975 1072511775 /nfs/dbraw/zinc/51/17/75/1072511775.db2.gz LCXLYHGASPTRHF-SJORKVTESA-N 1 0 395.548 -0.107 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423258158 1072511541 /nfs/dbraw/zinc/51/15/41/1072511541.db2.gz LKHWEWWONHTSCP-FOIQADDNSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423258159 1072512068 /nfs/dbraw/zinc/51/20/68/1072512068.db2.gz LKHWEWWONHTSCP-MGPUTAFESA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423258160 1072511687 /nfs/dbraw/zinc/51/16/87/1072511687.db2.gz LKHWEWWONHTSCP-QRWLVFNGSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423258161 1072511979 /nfs/dbraw/zinc/51/19/79/1072511979.db2.gz LKHWEWWONHTSCP-YWZLYKJASA-N 1 0 393.532 -0.225 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCO1 ZINC000423258375 1072511716 /nfs/dbraw/zinc/51/17/16/1072511716.db2.gz LZJPVTZFDKGPPD-RRFJBIMHSA-N 1 0 379.388 -0.521 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCO1 ZINC000423258376 1072512022 /nfs/dbraw/zinc/51/20/22/1072512022.db2.gz LZJPVTZFDKGPPD-ZNMIVQPWSA-N 1 0 379.388 -0.521 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423258723 1072511830 /nfs/dbraw/zinc/51/18/30/1072511830.db2.gz MONKTJAIZNDQRJ-CVEARBPZSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423258724 1072511874 /nfs/dbraw/zinc/51/18/74/1072511874.db2.gz MONKTJAIZNDQRJ-HOTGVXAUSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423258725 1072511968 /nfs/dbraw/zinc/51/19/68/1072511968.db2.gz MONKTJAIZNDQRJ-HZPDHXFCSA-N 1 0 379.505 -0.743 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000423258726 1072512010 /nfs/dbraw/zinc/51/20/10/1072512010.db2.gz MONKTJAIZNDQRJ-JKSUJKDBSA-N 1 0 379.505 -0.743 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423258854 1072512046 /nfs/dbraw/zinc/51/20/46/1072512046.db2.gz MUAXOGIHGQRPCJ-INIZCTEOSA-N 1 0 393.532 -0.353 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423258855 1072511938 /nfs/dbraw/zinc/51/19/38/1072511938.db2.gz MUAXOGIHGQRPCJ-MRXNPFEDSA-N 1 0 393.532 -0.353 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423258858 1072512002 /nfs/dbraw/zinc/51/20/02/1072512002.db2.gz MVBJYEPGRIXEQQ-DOTOQJQBSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423258859 1072511593 /nfs/dbraw/zinc/51/15/93/1072511593.db2.gz MVBJYEPGRIXEQQ-NVXWUHKLSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423258860 1072511518 /nfs/dbraw/zinc/51/15/18/1072511518.db2.gz MVBJYEPGRIXEQQ-RDJZCZTQSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423258861 1072511804 /nfs/dbraw/zinc/51/18/04/1072511804.db2.gz MVBJYEPGRIXEQQ-WBVHZDCISA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000423258883 1072511964 /nfs/dbraw/zinc/51/19/64/1072511964.db2.gz MYSGJMLVCUCZPY-BRWVUGGUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000423258884 1072511570 /nfs/dbraw/zinc/51/15/70/1072511570.db2.gz MYSGJMLVCUCZPY-GVDBMIGSSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000423258885 1072512030 /nfs/dbraw/zinc/51/20/30/1072512030.db2.gz MYSGJMLVCUCZPY-IXDOHACOSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000423258886 1072511648 /nfs/dbraw/zinc/51/16/48/1072511648.db2.gz MYSGJMLVCUCZPY-YESZJQIVSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423258901 1072511751 /nfs/dbraw/zinc/51/17/51/1072511751.db2.gz NAVMEHPZGCFFSU-BBWFWOEESA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000423258902 1072511626 /nfs/dbraw/zinc/51/16/26/1072511626.db2.gz NAVMEHPZGCFFSU-BRWVUGGUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423258903 1072511944 /nfs/dbraw/zinc/51/19/44/1072511944.db2.gz NAVMEHPZGCFFSU-GVDBMIGSSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000423258904 1072511728 /nfs/dbraw/zinc/51/17/28/1072511728.db2.gz NAVMEHPZGCFFSU-IKGGRYGDSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000423258905 1072511695 /nfs/dbraw/zinc/51/16/95/1072511695.db2.gz NAVMEHPZGCFFSU-IXDOHACOSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000423258906 1072511857 /nfs/dbraw/zinc/51/18/57/1072511857.db2.gz NAVMEHPZGCFFSU-ULQDDVLXSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000423258907 1072512679 /nfs/dbraw/zinc/51/26/79/1072512679.db2.gz NAVMEHPZGCFFSU-YESZJQIVSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000423258908 1072512567 /nfs/dbraw/zinc/51/25/67/1072512567.db2.gz NAVMEHPZGCFFSU-ZACQAIPSSA-N 1 0 393.532 -0.354 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423259389 1072512860 /nfs/dbraw/zinc/51/28/60/1072512860.db2.gz NZPKIWUHKXYOGJ-HNNXBMFYSA-N 1 0 399.536 -0.885 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423259394 1072512457 /nfs/dbraw/zinc/51/24/57/1072512457.db2.gz NZPKIWUHKXYOGJ-OAHLLOKOSA-N 1 0 399.536 -0.885 20 0 GBADRO O=C(C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000423259426 1072512546 /nfs/dbraw/zinc/51/25/46/1072512546.db2.gz ODSBPMRBKDDUIY-AWEZNQCLSA-N 1 0 398.460 -0.473 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000423259428 1072512888 /nfs/dbraw/zinc/51/28/88/1072512888.db2.gz ODSBPMRBKDDUIY-CQSZACIVSA-N 1 0 398.460 -0.473 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000423259598 1072512756 /nfs/dbraw/zinc/51/27/56/1072512756.db2.gz OMFAOPXZUVNSNQ-BRWVUGGUSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000423259599 1072512792 /nfs/dbraw/zinc/51/27/92/1072512792.db2.gz OMFAOPXZUVNSNQ-IKGGRYGDSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000423259600 1072512907 /nfs/dbraw/zinc/51/29/07/1072512907.db2.gz OMFAOPXZUVNSNQ-IXDOHACOSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000423259601 1072512502 /nfs/dbraw/zinc/51/25/02/1072512502.db2.gz OMFAOPXZUVNSNQ-ZACQAIPSSA-N 1 0 393.532 -0.367 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423259604 1072512610 /nfs/dbraw/zinc/51/26/10/1072512610.db2.gz OMXKWFSNRKDDNX-FQEVSTJZSA-N 1 0 393.532 -0.223 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423259605 1072512868 /nfs/dbraw/zinc/51/28/68/1072512868.db2.gz OMXKWFSNRKDDNX-HXUWFJFHSA-N 1 0 393.532 -0.223 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423260347 1072512841 /nfs/dbraw/zinc/51/28/41/1072512841.db2.gz QCGQMDURXFGBQT-HNNXBMFYSA-N 1 0 393.532 -0.212 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423260348 1072512395 /nfs/dbraw/zinc/51/23/95/1072512395.db2.gz QCGQMDURXFGBQT-OAHLLOKOSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423260515 1072512831 /nfs/dbraw/zinc/51/28/31/1072512831.db2.gz QJMCYTDQMNXRLT-INIZCTEOSA-N 1 0 379.505 -0.600 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423260516 1072512800 /nfs/dbraw/zinc/51/28/00/1072512800.db2.gz QJMCYTDQMNXRLT-MRXNPFEDSA-N 1 0 379.505 -0.600 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1)C1CCCCC1 ZINC000423260522 1072512915 /nfs/dbraw/zinc/51/29/15/1072512915.db2.gz QKDBQRMAOKPYTH-INIZCTEOSA-N 1 0 393.532 -0.271 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1)C1CCCCC1 ZINC000423260523 1072512920 /nfs/dbraw/zinc/51/29/20/1072512920.db2.gz QKDBQRMAOKPYTH-MRXNPFEDSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423260539 1072512619 /nfs/dbraw/zinc/51/26/19/1072512619.db2.gz QMILAHORYOWRJI-BFYDXBDKSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423260540 1072512816 /nfs/dbraw/zinc/51/28/16/1072512816.db2.gz QMILAHORYOWRJI-HLLBOEOZSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423260541 1072512477 /nfs/dbraw/zinc/51/24/77/1072512477.db2.gz QMILAHORYOWRJI-INMHGKMJSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423260542 1072512363 /nfs/dbraw/zinc/51/23/63/1072512363.db2.gz QMILAHORYOWRJI-VYDXJSESSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)C1 ZINC000423260549 1072512782 /nfs/dbraw/zinc/51/27/82/1072512782.db2.gz QNEGVJGYFAQICX-DOTOQJQBSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)C1 ZINC000423260550 1072512599 /nfs/dbraw/zinc/51/25/99/1072512599.db2.gz QNEGVJGYFAQICX-NVXWUHKLSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)C1 ZINC000423260551 1072512380 /nfs/dbraw/zinc/51/23/80/1072512380.db2.gz QNEGVJGYFAQICX-RDJZCZTQSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)C1 ZINC000423260552 1072512484 /nfs/dbraw/zinc/51/24/84/1072512484.db2.gz QNEGVJGYFAQICX-WBVHZDCISA-N 1 0 393.532 -0.225 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423260795 1072512346 /nfs/dbraw/zinc/51/23/46/1072512346.db2.gz QSOSRUXSVHPZAZ-CVEARBPZSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423260796 1072512760 /nfs/dbraw/zinc/51/27/60/1072512760.db2.gz QSOSRUXSVHPZAZ-HOTGVXAUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423260797 1072512626 /nfs/dbraw/zinc/51/26/26/1072512626.db2.gz QSOSRUXSVHPZAZ-HZPDHXFCSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423260798 1072512651 /nfs/dbraw/zinc/51/26/51/1072512651.db2.gz QSOSRUXSVHPZAZ-JKSUJKDBSA-N 1 0 393.532 -0.354 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000423260813 1072512773 /nfs/dbraw/zinc/51/27/73/1072512773.db2.gz QUHGAHPFTTVSGX-AQFXKWCLSA-N 1 0 393.532 -0.225 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000423260814 1072512468 /nfs/dbraw/zinc/51/24/68/1072512468.db2.gz QUHGAHPFTTVSGX-CGZBRXJRSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000423261237 1072507827 /nfs/dbraw/zinc/50/78/27/1072507827.db2.gz RVKKCBVZQGMIBQ-BBWFWOEESA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000423261238 1072508086 /nfs/dbraw/zinc/50/80/86/1072508086.db2.gz RVKKCBVZQGMIBQ-BRWVUGGUSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000423261239 1072508112 /nfs/dbraw/zinc/50/81/12/1072508112.db2.gz RVKKCBVZQGMIBQ-GVDBMIGSSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000423261240 1072508008 /nfs/dbraw/zinc/50/80/08/1072508008.db2.gz RVKKCBVZQGMIBQ-IKGGRYGDSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000423261241 1072507771 /nfs/dbraw/zinc/50/77/71/1072507771.db2.gz RVKKCBVZQGMIBQ-IXDOHACOSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000423261242 1072507477 /nfs/dbraw/zinc/50/74/77/1072507477.db2.gz RVKKCBVZQGMIBQ-ZACQAIPSSA-N 1 0 393.532 -0.225 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423261431 1072512692 /nfs/dbraw/zinc/51/26/92/1072512692.db2.gz SHKALOAQMBKIJP-CFVMTHIKSA-N 1 0 379.388 -0.521 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423261432 1072512514 /nfs/dbraw/zinc/51/25/14/1072512514.db2.gz SHKALOAQMBKIJP-NWANDNLSSA-N 1 0 379.388 -0.521 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000423261884 1072507765 /nfs/dbraw/zinc/50/77/65/1072507765.db2.gz TUDXWWZCQFZGSJ-HWOWSKLDSA-N 1 0 379.505 -0.615 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000423261885 1072507654 /nfs/dbraw/zinc/50/76/54/1072507654.db2.gz TUDXWWZCQFZGSJ-PCKAHOCUSA-N 1 0 379.505 -0.615 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCO1 ZINC000423262085 1072507711 /nfs/dbraw/zinc/50/77/11/1072507711.db2.gz UGMHTPAYTOFVPU-OWCLPIDISA-N 1 0 393.415 -0.131 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCO1 ZINC000423262086 1072507421 /nfs/dbraw/zinc/50/74/21/1072507421.db2.gz UGMHTPAYTOFVPU-PMPSAXMXSA-N 1 0 393.415 -0.131 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423262313 1072507885 /nfs/dbraw/zinc/50/78/85/1072507885.db2.gz VAXNSJLDPHUWCW-KRWDZBQOSA-N 1 0 393.532 -0.210 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423262314 1072507746 /nfs/dbraw/zinc/50/77/46/1072507746.db2.gz VAXNSJLDPHUWCW-QGZVFWFLSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423262334 1072507818 /nfs/dbraw/zinc/50/78/18/1072507818.db2.gz VCPMMXXEDNZXHO-ARFHVFGLSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423262335 1072508078 /nfs/dbraw/zinc/50/80/78/1072508078.db2.gz VCPMMXXEDNZXHO-HRCADAONSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423262336 1072507821 /nfs/dbraw/zinc/50/78/21/1072507821.db2.gz VCPMMXXEDNZXHO-JYJNAYRXSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423262337 1072507788 /nfs/dbraw/zinc/50/77/88/1072507788.db2.gz VCPMMXXEDNZXHO-XHSDSOJGSA-N 1 0 393.532 -0.226 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000423262686 1072507777 /nfs/dbraw/zinc/50/77/77/1072507777.db2.gz VVFCPTFBLDIKBO-UHFFFAOYSA-N 1 0 379.505 -0.743 20 0 GBADRO CN(C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000423262753 1072507696 /nfs/dbraw/zinc/50/76/96/1072507696.db2.gz NJYVTGNSMKFFFE-MSOLQXFVSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000423262755 1072507740 /nfs/dbraw/zinc/50/77/40/1072507740.db2.gz NJYVTGNSMKFFFE-QZTJIDSGSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000423262758 1072507502 /nfs/dbraw/zinc/50/75/02/1072507502.db2.gz NJYVTGNSMKFFFE-ROUUACIJSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000423262760 1072508023 /nfs/dbraw/zinc/50/80/23/1072508023.db2.gz NJYVTGNSMKFFFE-ZWKOTPCHSA-N 1 0 399.495 -0.244 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)CC1 ZINC000423262841 1072507862 /nfs/dbraw/zinc/50/78/62/1072507862.db2.gz WFIRMPVWHFRHTE-UHFFFAOYSA-N 1 0 393.532 -0.225 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)C1CCCCC1 ZINC000423262845 1072507795 /nfs/dbraw/zinc/50/77/95/1072507795.db2.gz WGLLJSUOQWQHRI-HNNXBMFYSA-N 1 0 379.505 -0.519 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)C1CCCCC1 ZINC000423262846 1072508099 /nfs/dbraw/zinc/50/80/99/1072508099.db2.gz WGLLJSUOQWQHRI-OAHLLOKOSA-N 1 0 379.505 -0.519 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000423263140 1072507811 /nfs/dbraw/zinc/50/78/11/1072507811.db2.gz WUVADHURVSRAGJ-UHFFFAOYSA-N 1 0 393.532 -0.210 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000423263384 1072507671 /nfs/dbraw/zinc/50/76/71/1072507671.db2.gz XBORJXAIAZKAEL-AQFXKWCLSA-N 1 0 393.532 -0.354 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000423263385 1072507444 /nfs/dbraw/zinc/50/74/44/1072507444.db2.gz XBORJXAIAZKAEL-CGZBRXJRSA-N 1 0 393.532 -0.354 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000423263483 1072507937 /nfs/dbraw/zinc/50/79/37/1072507937.db2.gz OMFOBZORELGYNK-MSOLQXFVSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000423263484 1072507758 /nfs/dbraw/zinc/50/77/58/1072507758.db2.gz OMFOBZORELGYNK-QZTJIDSGSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000423263485 1072507626 /nfs/dbraw/zinc/50/76/26/1072507626.db2.gz OMFOBZORELGYNK-ROUUACIJSA-N 1 0 399.495 -0.244 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000423263486 1072507511 /nfs/dbraw/zinc/50/75/11/1072507511.db2.gz OMFOBZORELGYNK-ZWKOTPCHSA-N 1 0 399.495 -0.244 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423263718 1072507555 /nfs/dbraw/zinc/50/75/55/1072507555.db2.gz XQOFLNLWYFDYNB-HNNXBMFYSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000423263719 1072507856 /nfs/dbraw/zinc/50/78/56/1072507856.db2.gz XQOFLNLWYFDYNB-OAHLLOKOSA-N 1 0 379.505 -0.613 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423264099 1072509026 /nfs/dbraw/zinc/50/90/26/1072509026.db2.gz YBHQVCWQTNHGKA-HRCADAONSA-N 1 0 391.516 -0.744 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423264100 1072508642 /nfs/dbraw/zinc/50/86/42/1072508642.db2.gz YBHQVCWQTNHGKA-OAGGEKHMSA-N 1 0 391.516 -0.744 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000423264129 1072508377 /nfs/dbraw/zinc/50/83/77/1072508377.db2.gz YEUPSTMJJDRUFK-OWCLPIDISA-N 1 0 375.425 -0.412 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000423264130 1072508862 /nfs/dbraw/zinc/50/88/62/1072508862.db2.gz YEUPSTMJJDRUFK-PMPSAXMXSA-N 1 0 375.425 -0.412 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000423264131 1072508689 /nfs/dbraw/zinc/50/86/89/1072508689.db2.gz YEZVPGHNBUEDGO-KBPBESRZSA-N 1 0 398.460 -0.345 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000423264132 1072508363 /nfs/dbraw/zinc/50/83/63/1072508363.db2.gz YEZVPGHNBUEDGO-KGLIPLIRSA-N 1 0 398.460 -0.345 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000423264133 1072508703 /nfs/dbraw/zinc/50/87/03/1072508703.db2.gz YEZVPGHNBUEDGO-UONOGXRCSA-N 1 0 398.460 -0.345 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000423264134 1072508980 /nfs/dbraw/zinc/50/89/80/1072508980.db2.gz YEZVPGHNBUEDGO-ZIAGYGMSSA-N 1 0 398.460 -0.345 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000423264151 1072508712 /nfs/dbraw/zinc/50/87/12/1072508712.db2.gz YHHAIHVJILFLAT-UHFFFAOYSA-N 1 0 379.505 -0.647 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423264357 1072507921 /nfs/dbraw/zinc/50/79/21/1072507921.db2.gz YIFBDYOECJGYBQ-GDBMZVCRSA-N 1 0 379.505 -0.602 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423264358 1072507834 /nfs/dbraw/zinc/50/78/34/1072507834.db2.gz YIFBDYOECJGYBQ-GOEBONIOSA-N 1 0 379.505 -0.602 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423264359 1072508052 /nfs/dbraw/zinc/50/80/52/1072508052.db2.gz YIFBDYOECJGYBQ-HOCLYGCPSA-N 1 0 379.505 -0.602 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000423264360 1072507893 /nfs/dbraw/zinc/50/78/93/1072507893.db2.gz YIFBDYOECJGYBQ-ZBFHGGJFSA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423264405 1072507803 /nfs/dbraw/zinc/50/78/03/1072507803.db2.gz YQNIXZZEYOEXRU-WCXIOVBPSA-N 1 0 393.532 -0.369 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000423264444 1072507877 /nfs/dbraw/zinc/50/78/77/1072507877.db2.gz YUVQMAPJBKXSSV-CYBMUJFWSA-N 1 0 386.449 -0.488 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000423264445 1072508654 /nfs/dbraw/zinc/50/86/54/1072508654.db2.gz YUVQMAPJBKXSSV-ZDUSSCGKSA-N 1 0 386.449 -0.488 20 0 GBADRO O=C(NCCN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000423264925 1072508837 /nfs/dbraw/zinc/50/88/37/1072508837.db2.gz CPEAHMQEQYZRJW-UHFFFAOYSA-N 1 0 391.447 -0.869 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C1 ZINC000423265203 1072508461 /nfs/dbraw/zinc/50/84/61/1072508461.db2.gz ZPFAIHFAHZMHFH-JCYILVPMSA-N 1 0 393.532 -0.354 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C1 ZINC000423265204 1072508358 /nfs/dbraw/zinc/50/83/58/1072508358.db2.gz ZPFAIHFAHZMHFH-OFLPRAFFSA-N 1 0 393.532 -0.354 20 0 GBADRO CCc1noc([C@H](C)N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000423265981 1072513247 /nfs/dbraw/zinc/51/32/47/1072513247.db2.gz BNIFLLRLIXUTEF-KKUMJFAQSA-N 1 0 390.488 -0.095 20 0 GBADRO CCc1noc([C@H](C)N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)n1 ZINC000423265982 1072514059 /nfs/dbraw/zinc/51/40/59/1072514059.db2.gz BNIFLLRLIXUTEF-RRFJBIMHSA-N 1 0 390.488 -0.095 20 0 GBADRO CCc1noc([C@H](C)N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)n1 ZINC000423265983 1072514096 /nfs/dbraw/zinc/51/40/96/1072514096.db2.gz BNIFLLRLIXUTEF-SOUVJXGZSA-N 1 0 390.488 -0.095 20 0 GBADRO CCc1noc([C@H](C)N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000423265984 1072513534 /nfs/dbraw/zinc/51/35/34/1072513534.db2.gz BNIFLLRLIXUTEF-ZNMIVQPWSA-N 1 0 390.488 -0.095 20 0 GBADRO CN(C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423266498 1072509653 /nfs/dbraw/zinc/50/96/53/1072509653.db2.gz 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/nfs/dbraw/zinc/51/56/55/1072515655.db2.gz QKSYNVDTBCEDDR-IXDOHACOSA-N 1 0 389.452 -0.022 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423299690 1072515672 /nfs/dbraw/zinc/51/56/72/1072515672.db2.gz QKSYNVDTBCEDDR-YESZJQIVSA-N 1 0 389.452 -0.022 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423299873 1072515761 /nfs/dbraw/zinc/51/57/61/1072515761.db2.gz CLKHMIIVGAMZPE-HNNXBMFYSA-N 1 0 393.440 -0.034 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423299874 1072515353 /nfs/dbraw/zinc/51/53/53/1072515353.db2.gz CLKHMIIVGAMZPE-OAHLLOKOSA-N 1 0 393.440 -0.034 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423302071 1072516385 /nfs/dbraw/zinc/51/63/85/1072516385.db2.gz GUFRMGUOIPLHQK-AWEZNQCLSA-N 1 0 379.413 -0.424 20 0 GBADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423302072 1072516506 /nfs/dbraw/zinc/51/65/06/1072516506.db2.gz GUFRMGUOIPLHQK-CQSZACIVSA-N 1 0 379.413 -0.424 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423302944 1072516167 /nfs/dbraw/zinc/51/61/67/1072516167.db2.gz ICXAIMMSBHJVQI-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423302945 1072516568 /nfs/dbraw/zinc/51/65/68/1072516568.db2.gz ICXAIMMSBHJVQI-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 ZINC000423303203 1072516437 /nfs/dbraw/zinc/51/64/37/1072516437.db2.gz WSHJAFWNXKYBGZ-KRWDZBQOSA-N 1 0 399.495 -0.330 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 ZINC000423303205 1072516200 /nfs/dbraw/zinc/51/62/00/1072516200.db2.gz WSHJAFWNXKYBGZ-QGZVFWFLSA-N 1 0 399.495 -0.330 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423305016 1072516110 /nfs/dbraw/zinc/51/61/10/1072516110.db2.gz ZYEVKHAPBIJANO-HRCADAONSA-N 1 0 375.425 -0.412 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423305017 1072516208 /nfs/dbraw/zinc/51/62/08/1072516208.db2.gz ZYEVKHAPBIJANO-OWCLPIDISA-N 1 0 375.425 -0.412 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423305699 1072999646 /nfs/dbraw/zinc/99/96/46/1072999646.db2.gz CHTURGJQTWRETP-KRWDZBQOSA-N 1 0 387.484 -0.386 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423305700 1072999762 /nfs/dbraw/zinc/99/97/62/1072999762.db2.gz CHTURGJQTWRETP-QGZVFWFLSA-N 1 0 387.484 -0.386 20 0 GBADRO CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000423306780 1072514415 /nfs/dbraw/zinc/51/44/15/1072514415.db2.gz UTOMUFGGXITTBJ-DOMZBBRYSA-N 1 0 378.404 -0.425 20 0 GBADRO CN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000423306781 1072515028 /nfs/dbraw/zinc/51/50/28/1072515028.db2.gz UTOMUFGGXITTBJ-IUODEOHRSA-N 1 0 378.404 -0.425 20 0 GBADRO CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000423306782 1072514786 /nfs/dbraw/zinc/51/47/86/1072514786.db2.gz UTOMUFGGXITTBJ-SWLSCSKDSA-N 1 0 378.404 -0.425 20 0 GBADRO CN(C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000423306783 1072514447 /nfs/dbraw/zinc/51/44/47/1072514447.db2.gz UTOMUFGGXITTBJ-WFASDCNBSA-N 1 0 378.404 -0.425 20 0 GBADRO CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000423307043 1072514710 /nfs/dbraw/zinc/51/47/10/1072514710.db2.gz VBYJAYPXXPCPCU-BBRMVZONSA-N 1 0 392.431 -0.034 20 0 GBADRO CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000423307044 1072514339 /nfs/dbraw/zinc/51/43/39/1072514339.db2.gz VBYJAYPXXPCPCU-CJNGLKHVSA-N 1 0 392.431 -0.034 20 0 GBADRO CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000423307045 1072514835 /nfs/dbraw/zinc/51/48/35/1072514835.db2.gz VBYJAYPXXPCPCU-CZUORRHYSA-N 1 0 392.431 -0.034 20 0 GBADRO CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000423307046 1072514604 /nfs/dbraw/zinc/51/46/04/1072514604.db2.gz VBYJAYPXXPCPCU-XJKSGUPXSA-N 1 0 392.431 -0.034 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]1 ZINC000423309314 1072514645 /nfs/dbraw/zinc/51/46/45/1072514645.db2.gz KYQCJQDNPAGWEO-AEFFLSMTSA-N 1 0 399.495 -0.244 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]1 ZINC000423309315 1072514489 /nfs/dbraw/zinc/51/44/89/1072514489.db2.gz KYQCJQDNPAGWEO-FUHWJXTLSA-N 1 0 399.495 -0.244 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]1 ZINC000423309316 1072514736 /nfs/dbraw/zinc/51/47/36/1072514736.db2.gz KYQCJQDNPAGWEO-SJLPKXTDSA-N 1 0 399.495 -0.244 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]1 ZINC000423309317 1072514851 /nfs/dbraw/zinc/51/48/51/1072514851.db2.gz KYQCJQDNPAGWEO-WMZOPIPTSA-N 1 0 399.495 -0.244 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423309986 1072514658 /nfs/dbraw/zinc/51/46/58/1072514658.db2.gz MUXLSLYKSNVYOW-AEFFLSMTSA-N 1 0 399.495 -0.257 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423309992 1072514634 /nfs/dbraw/zinc/51/46/34/1072514634.db2.gz MUXLSLYKSNVYOW-FUHWJXTLSA-N 1 0 399.495 -0.257 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423309994 1072514298 /nfs/dbraw/zinc/51/42/98/1072514298.db2.gz MUXLSLYKSNVYOW-SJLPKXTDSA-N 1 0 399.495 -0.257 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423309997 1072514519 /nfs/dbraw/zinc/51/45/19/1072514519.db2.gz MUXLSLYKSNVYOW-WMZOPIPTSA-N 1 0 399.495 -0.257 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000423310524 1072514977 /nfs/dbraw/zinc/51/49/77/1072514977.db2.gz NQIYDJDVDNCJRB-GOSISDBHSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000423310526 1072514323 /nfs/dbraw/zinc/51/43/23/1072514323.db2.gz NQIYDJDVDNCJRB-SFHVURJKSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423310768 1072514675 /nfs/dbraw/zinc/51/46/75/1072514675.db2.gz OGOLJTGQBMIVIK-DOTOQJQBSA-N 1 0 385.468 -0.504 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423310769 1072514566 /nfs/dbraw/zinc/51/45/66/1072514566.db2.gz OGOLJTGQBMIVIK-NVXWUHKLSA-N 1 0 385.468 -0.504 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423310770 1072514934 /nfs/dbraw/zinc/51/49/34/1072514934.db2.gz OGOLJTGQBMIVIK-RDJZCZTQSA-N 1 0 385.468 -0.504 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423310771 1072514896 /nfs/dbraw/zinc/51/48/96/1072514896.db2.gz OGOLJTGQBMIVIK-WBVHZDCISA-N 1 0 385.468 -0.504 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423312323 1072514428 /nfs/dbraw/zinc/51/44/28/1072514428.db2.gz ROILAIXABMIPCO-AEFFLSMTSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423312325 1072514553 /nfs/dbraw/zinc/51/45/53/1072514553.db2.gz ROILAIXABMIPCO-FUHWJXTLSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423312327 1072514825 /nfs/dbraw/zinc/51/48/25/1072514825.db2.gz ROILAIXABMIPCO-SJLPKXTDSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423312329 1072514663 /nfs/dbraw/zinc/51/46/63/1072514663.db2.gz ROILAIXABMIPCO-WMZOPIPTSA-N 1 0 399.495 -0.114 20 0 GBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423314298 1072515381 /nfs/dbraw/zinc/51/53/81/1072515381.db2.gz XYSIPWZYWABDQR-QLFBSQMISA-N 1 0 398.460 -0.642 20 0 GBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423314301 1072515641 /nfs/dbraw/zinc/51/56/41/1072515641.db2.gz XYSIPWZYWABDQR-SOUVJXGZSA-N 1 0 398.460 -0.642 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C[C@H]1[NH3+] ZINC000423314518 1072515314 /nfs/dbraw/zinc/51/53/14/1072515314.db2.gz WBAOPIMOLOHQIH-KBAYOESNSA-N 1 0 399.495 -0.258 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C[C@H]1[NH3+] ZINC000423314520 1072515786 /nfs/dbraw/zinc/51/57/86/1072515786.db2.gz WBAOPIMOLOHQIH-NXHRZFHOSA-N 1 0 399.495 -0.258 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423314545 1072515602 /nfs/dbraw/zinc/51/56/02/1072515602.db2.gz WEMUXRDVLYXKQH-AEFFLSMTSA-N 1 0 399.495 -0.244 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423314546 1072515665 /nfs/dbraw/zinc/51/56/65/1072515665.db2.gz WEMUXRDVLYXKQH-FUHWJXTLSA-N 1 0 399.495 -0.244 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423314547 1072515269 /nfs/dbraw/zinc/51/52/69/1072515269.db2.gz WEMUXRDVLYXKQH-SJLPKXTDSA-N 1 0 399.495 -0.244 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000423314548 1072515500 /nfs/dbraw/zinc/51/55/00/1072515500.db2.gz WEMUXRDVLYXKQH-WMZOPIPTSA-N 1 0 399.495 -0.244 20 0 GBADRO CCc1cnc(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)s1 ZINC000423315336 1072515775 /nfs/dbraw/zinc/51/57/75/1072515775.db2.gz XHGQNLVRAHDERV-CYBMUJFWSA-N 1 0 381.502 -0.070 20 0 GBADRO CCc1cnc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)s1 ZINC000423315340 1072515456 /nfs/dbraw/zinc/51/54/56/1072515456.db2.gz XHGQNLVRAHDERV-ZDUSSCGKSA-N 1 0 381.502 -0.070 20 0 GBADRO O=C(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423316348 1072515395 /nfs/dbraw/zinc/51/53/95/1072515395.db2.gz AMRNOPFTWVQJAK-MOPGFXCFSA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423316350 1072515819 /nfs/dbraw/zinc/51/58/19/1072515819.db2.gz AMRNOPFTWVQJAK-OALUTQOASA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@H](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423316351 1072515768 /nfs/dbraw/zinc/51/57/68/1072515768.db2.gz AMRNOPFTWVQJAK-RBUKOAKNSA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@H](Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423316352 1072515368 /nfs/dbraw/zinc/51/53/68/1072515368.db2.gz AMRNOPFTWVQJAK-RTBURBONSA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1 ZINC000423318943 1072515488 /nfs/dbraw/zinc/51/54/88/1072515488.db2.gz ZRGQRZUADPCXNQ-KRWDZBQOSA-N 1 0 385.468 -0.632 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1 ZINC000423318944 1072515291 /nfs/dbraw/zinc/51/52/91/1072515291.db2.gz ZRGQRZUADPCXNQ-QGZVFWFLSA-N 1 0 385.468 -0.632 20 0 GBADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCO1 ZINC000423325852 1072516518 /nfs/dbraw/zinc/51/65/18/1072516518.db2.gz CBCZTBJSMYCINF-HRCADAONSA-N 1 0 393.415 -0.131 20 0 GBADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCO1 ZINC000423325861 1072516395 /nfs/dbraw/zinc/51/63/95/1072516395.db2.gz CBCZTBJSMYCINF-OWCLPIDISA-N 1 0 393.415 -0.131 20 0 GBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326186 1072516137 /nfs/dbraw/zinc/51/61/37/1072516137.db2.gz MIMYRCMQSVPYRT-BBWFWOEESA-N 1 0 381.521 -0.940 20 0 GBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423326190 1072516530 /nfs/dbraw/zinc/51/65/30/1072516530.db2.gz MIMYRCMQSVPYRT-IXDOHACOSA-N 1 0 381.521 -0.940 20 0 GBADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000423330329 1072516490 /nfs/dbraw/zinc/51/64/90/1072516490.db2.gz FTHROGPTXZAUHV-IKGGRYGDSA-N 1 0 389.452 -0.022 20 0 GBADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000423330330 1072516188 /nfs/dbraw/zinc/51/61/88/1072516188.db2.gz FTHROGPTXZAUHV-ZACQAIPSSA-N 1 0 389.452 -0.022 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423337192 1072517373 /nfs/dbraw/zinc/51/73/73/1072517373.db2.gz AGXFAWFJOHCXDN-QLFBSQMISA-N 1 0 377.420 -0.391 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423337206 1072517162 /nfs/dbraw/zinc/51/71/62/1072517162.db2.gz AGXFAWFJOHCXDN-SOUVJXGZSA-N 1 0 377.420 -0.391 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCCO1 ZINC000423337361 1072516264 /nfs/dbraw/zinc/51/62/64/1072516264.db2.gz YGKJYRUQZAOQJP-LLVKDONJSA-N 1 0 384.374 -0.393 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCCO1 ZINC000423337367 1072516050 /nfs/dbraw/zinc/51/60/50/1072516050.db2.gz YGKJYRUQZAOQJP-NSHDSACASA-N 1 0 384.374 -0.393 20 0 GBADRO CCOC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423338369 1072517402 /nfs/dbraw/zinc/51/74/02/1072517402.db2.gz YYUUFTLINKDNSC-DLBZAZTESA-N 1 0 394.516 -0.068 20 0 GBADRO CCOC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423338371 1072517037 /nfs/dbraw/zinc/51/70/37/1072517037.db2.gz YYUUFTLINKDNSC-IAGOWNOFSA-N 1 0 394.516 -0.068 20 0 GBADRO CCOC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423338372 1072517289 /nfs/dbraw/zinc/51/72/89/1072517289.db2.gz YYUUFTLINKDNSC-IRXDYDNUSA-N 1 0 394.516 -0.068 20 0 GBADRO CCOC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423338373 1072517320 /nfs/dbraw/zinc/51/73/20/1072517320.db2.gz YYUUFTLINKDNSC-SJORKVTESA-N 1 0 394.516 -0.068 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000423339405 1072517306 /nfs/dbraw/zinc/51/73/06/1072517306.db2.gz WSEUABLWOGQZAV-CYBMUJFWSA-N 1 0 392.431 -0.140 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000423339406 1072517269 /nfs/dbraw/zinc/51/72/69/1072517269.db2.gz WSEUABLWOGQZAV-ZDUSSCGKSA-N 1 0 392.431 -0.140 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC(CCCO)CC1 ZINC000423340054 1072516898 /nfs/dbraw/zinc/51/68/98/1072516898.db2.gz SOMFMURBNYJWQV-KRWDZBQOSA-N 1 0 394.516 -0.332 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC(CCCO)CC1 ZINC000423340055 1072517197 /nfs/dbraw/zinc/51/71/97/1072517197.db2.gz SOMFMURBNYJWQV-QGZVFWFLSA-N 1 0 394.516 -0.332 20 0 GBADRO O=C(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423340222 1072516945 /nfs/dbraw/zinc/51/69/45/1072516945.db2.gz VOBFWZZISLWMTC-MOPGFXCFSA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@@H](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423340223 1072516981 /nfs/dbraw/zinc/51/69/81/1072516981.db2.gz VOBFWZZISLWMTC-OALUTQOASA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@H](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423340224 1072517312 /nfs/dbraw/zinc/51/73/12/1072517312.db2.gz VOBFWZZISLWMTC-RBUKOAKNSA-N 1 0 386.496 -0.037 20 0 GBADRO O=C(C(=O)N1CCO[C@H](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423340225 1072517349 /nfs/dbraw/zinc/51/73/49/1072517349.db2.gz VOBFWZZISLWMTC-RTBURBONSA-N 1 0 386.496 -0.037 20 0 GBADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423341610 1072517086 /nfs/dbraw/zinc/51/70/86/1072517086.db2.gz MNUUFDGSGSXVRX-DUVNUKRYSA-N 1 0 393.415 -0.131 20 0 GBADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423341612 1072517358 /nfs/dbraw/zinc/51/73/58/1072517358.db2.gz MNUUFDGSGSXVRX-IVMMDQJWSA-N 1 0 393.415 -0.131 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCCO1 ZINC000423343210 1072516227 /nfs/dbraw/zinc/51/62/27/1072516227.db2.gz ZNOUSCRECIIRAR-DLBZAZTESA-N 1 0 377.441 -0.131 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCCO1 ZINC000423343211 1072516404 /nfs/dbraw/zinc/51/64/04/1072516404.db2.gz ZNOUSCRECIIRAR-IAGOWNOFSA-N 1 0 377.441 -0.131 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCCO1 ZINC000423343212 1072516084 /nfs/dbraw/zinc/51/60/84/1072516084.db2.gz ZNOUSCRECIIRAR-IRXDYDNUSA-N 1 0 377.441 -0.131 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CCCO1 ZINC000423343213 1072516100 /nfs/dbraw/zinc/51/61/00/1072516100.db2.gz ZNOUSCRECIIRAR-SJORKVTESA-N 1 0 377.441 -0.131 20 0 GBADRO COC(=O)C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCO1 ZINC000423343737 1072516854 /nfs/dbraw/zinc/51/68/54/1072516854.db2.gz NRUZUHCALCCUFW-HRCADAONSA-N 1 0 375.425 -0.270 20 0 GBADRO COC(=O)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCO1 ZINC000423343741 1072517452 /nfs/dbraw/zinc/51/74/52/1072517452.db2.gz NRUZUHCALCCUFW-OWCLPIDISA-N 1 0 375.425 -0.270 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000423346982 1072516360 /nfs/dbraw/zinc/51/63/60/1072516360.db2.gz QMAFVZMSFHBFJF-ABAIWWIYSA-N 1 0 394.394 -0.784 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000423346992 1072516412 /nfs/dbraw/zinc/51/64/12/1072516412.db2.gz QMAFVZMSFHBFJF-IAQYHMDHSA-N 1 0 394.394 -0.784 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000423346993 1072516321 /nfs/dbraw/zinc/51/63/21/1072516321.db2.gz QMAFVZMSFHBFJF-NHYWBVRUSA-N 1 0 394.394 -0.784 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000423346994 1072516309 /nfs/dbraw/zinc/51/63/09/1072516309.db2.gz QMAFVZMSFHBFJF-XHDPSFHLSA-N 1 0 394.394 -0.784 20 0 GBADRO COc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423347169 1072516215 /nfs/dbraw/zinc/51/62/15/1072516215.db2.gz ZQGHNLUVEPFSMQ-AWEZNQCLSA-N 1 0 380.420 -0.331 20 0 GBADRO COc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423347170 1072516461 /nfs/dbraw/zinc/51/64/61/1072516461.db2.gz ZQGHNLUVEPFSMQ-CQSZACIVSA-N 1 0 380.420 -0.331 20 0 GBADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000423350088 1072518460 /nfs/dbraw/zinc/51/84/60/1072518460.db2.gz WUSUZYUIOMGUJY-CABCVRRESA-N 1 0 392.456 -0.199 20 0 GBADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000423350089 1072517758 /nfs/dbraw/zinc/51/77/58/1072517758.db2.gz WUSUZYUIOMGUJY-GJZGRUSLSA-N 1 0 392.456 -0.199 20 0 GBADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000423350090 1072518116 /nfs/dbraw/zinc/51/81/16/1072518116.db2.gz WUSUZYUIOMGUJY-HUUCEWRRSA-N 1 0 392.456 -0.199 20 0 GBADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000423350091 1072518251 /nfs/dbraw/zinc/51/82/51/1072518251.db2.gz WUSUZYUIOMGUJY-LSDHHAIUSA-N 1 0 392.456 -0.199 20 0 GBADRO O=C(C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423350731 1072518315 /nfs/dbraw/zinc/51/83/15/1072518315.db2.gz XVNAOASAMUXHIP-DOMZBBRYSA-N 1 0 378.395 -0.592 20 0 GBADRO O=C(C(=O)N1CCC[C@](O)(C(F)(F)F)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423350732 1072518412 /nfs/dbraw/zinc/51/84/12/1072518412.db2.gz XVNAOASAMUXHIP-IUODEOHRSA-N 1 0 378.395 -0.592 20 0 GBADRO O=C(C(=O)N1CCC[C@](O)(C(F)(F)F)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423350733 1072517904 /nfs/dbraw/zinc/51/79/04/1072517904.db2.gz XVNAOASAMUXHIP-SWLSCSKDSA-N 1 0 378.395 -0.592 20 0 GBADRO O=C(C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423350734 1072517883 /nfs/dbraw/zinc/51/78/83/1072517883.db2.gz XVNAOASAMUXHIP-WFASDCNBSA-N 1 0 378.395 -0.592 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423351732 1072518418 /nfs/dbraw/zinc/51/84/18/1072518418.db2.gz IXDSQOPBOBMSSQ-CORIIIEPSA-N 1 0 377.420 -0.391 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423351734 1072518127 /nfs/dbraw/zinc/51/81/27/1072518127.db2.gz IXDSQOPBOBMSSQ-OSAQELSMSA-N 1 0 377.420 -0.391 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000423352502 1072518468 /nfs/dbraw/zinc/51/84/68/1072518468.db2.gz BFNSLBPDZUNIAL-UHFFFAOYSA-N 1 0 375.473 -0.123 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000423352711 1072517913 /nfs/dbraw/zinc/51/79/13/1072517913.db2.gz AILXKPQIPNCZDP-HNNXBMFYSA-N 1 0 379.505 -0.650 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000423352712 1072518243 /nfs/dbraw/zinc/51/82/43/1072518243.db2.gz AILXKPQIPNCZDP-OAHLLOKOSA-N 1 0 379.505 -0.650 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC2=O)cn1 ZINC000423353393 1072518297 /nfs/dbraw/zinc/51/82/97/1072518297.db2.gz BNNYFCXJMSBEIM-DLBZAZTESA-N 1 0 396.451 -0.451 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000423354013 1072518390 /nfs/dbraw/zinc/51/83/90/1072518390.db2.gz CLSCCLVXQOIPRM-UHFFFAOYSA-N 1 0 376.461 -0.557 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000423354615 1072517991 /nfs/dbraw/zinc/51/79/91/1072517991.db2.gz DBOVZWJOGRIZKW-UHFFFAOYSA-N 1 0 376.461 -0.557 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000423354629 1072518356 /nfs/dbraw/zinc/51/83/56/1072518356.db2.gz DDEQITUOLWNQHW-AWEZNQCLSA-N 1 0 395.504 -0.842 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1(C)C ZINC000423354634 1072518143 /nfs/dbraw/zinc/51/81/43/1072518143.db2.gz DDEQITUOLWNQHW-CQSZACIVSA-N 1 0 395.504 -0.842 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000423355513 1072518042 /nfs/dbraw/zinc/51/80/42/1072518042.db2.gz PDKZTSNBVFSBGT-OAGGEKHMSA-N 1 0 391.447 -0.001 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000423355514 1072518450 /nfs/dbraw/zinc/51/84/50/1072518450.db2.gz PDKZTSNBVFSBGT-XHSDSOJGSA-N 1 0 391.447 -0.001 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCO1 ZINC000423355580 1072518428 /nfs/dbraw/zinc/51/84/28/1072518428.db2.gz IFVXAQDWFIDZEO-HNNXBMFYSA-N 1 0 394.859 -0.303 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CCO1 ZINC000423355581 1072517808 /nfs/dbraw/zinc/51/78/08/1072517808.db2.gz IFVXAQDWFIDZEO-OAHLLOKOSA-N 1 0 394.859 -0.303 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC2=O)cn1 ZINC000423356328 1072518218 /nfs/dbraw/zinc/51/82/18/1072518218.db2.gz GNKXXAAYCKTHCL-UHFFFAOYSA-N 1 0 388.472 -0.414 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423357428 1072517973 /nfs/dbraw/zinc/51/79/73/1072517973.db2.gz AKSVQJUOHMIOCU-KRWDZBQOSA-N 1 0 381.521 -0.938 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423357429 1072517930 /nfs/dbraw/zinc/51/79/30/1072517930.db2.gz AKSVQJUOHMIOCU-QGZVFWFLSA-N 1 0 381.521 -0.938 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C[C@H]1C[NH3+] ZINC000423359746 1072519068 /nfs/dbraw/zinc/51/90/68/1072519068.db2.gz PJCRTKQOAWLIEM-GDBMZVCRSA-N 1 0 387.484 -0.123 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C[C@H]1C[NH3+] ZINC000423359747 1072519194 /nfs/dbraw/zinc/51/91/94/1072519194.db2.gz PJCRTKQOAWLIEM-GOEBONIOSA-N 1 0 387.484 -0.123 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C[C@@H]1C[NH3+] ZINC000423359748 1072519243 /nfs/dbraw/zinc/51/92/43/1072519243.db2.gz PJCRTKQOAWLIEM-HOCLYGCPSA-N 1 0 387.484 -0.123 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C[C@@H]1C[NH3+] ZINC000423359749 1072519206 /nfs/dbraw/zinc/51/92/06/1072519206.db2.gz PJCRTKQOAWLIEM-ZBFHGGJFSA-N 1 0 387.484 -0.123 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C[C@@]1(C)C[NH3+] ZINC000423360758 1072518989 /nfs/dbraw/zinc/51/89/89/1072518989.db2.gz QUKIGIZNCLDNOQ-JLTOFOAXSA-N 1 0 387.484 -0.123 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000423361519 1072519123 /nfs/dbraw/zinc/51/91/23/1072519123.db2.gz WYIXWNJAQACHJX-BBWFWOEESA-N 1 0 394.516 -0.023 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000423361520 1072519223 /nfs/dbraw/zinc/51/92/23/1072519223.db2.gz WYIXWNJAQACHJX-IKGGRYGDSA-N 1 0 394.516 -0.023 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000423361521 1072518891 /nfs/dbraw/zinc/51/88/91/1072518891.db2.gz WYIXWNJAQACHJX-ULQDDVLXSA-N 1 0 394.516 -0.023 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000423361522 1072519211 /nfs/dbraw/zinc/51/92/11/1072519211.db2.gz WYIXWNJAQACHJX-ZACQAIPSSA-N 1 0 394.516 -0.023 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000423364112 1072519296 /nfs/dbraw/zinc/51/92/96/1072519296.db2.gz JMWMXIHPJOQLSW-MSOLQXFVSA-N 1 0 396.532 -0.090 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423364313 1072518946 /nfs/dbraw/zinc/51/89/46/1072518946.db2.gz VIIVHTAHUUGUIQ-IYBDPMFKSA-N 1 0 385.468 -0.213 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000423367786 1072518897 /nfs/dbraw/zinc/51/88/97/1072518897.db2.gz YWHPRDHZXYRIQF-BHYGNILZSA-N 1 0 385.468 -0.370 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000423367802 1072518810 /nfs/dbraw/zinc/51/88/10/1072518810.db2.gz YWHPRDHZXYRIQF-UAGQMJEPSA-N 1 0 385.468 -0.370 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000423367804 1072518919 /nfs/dbraw/zinc/51/89/19/1072518919.db2.gz YWHPRDHZXYRIQF-USXIJHARSA-N 1 0 385.468 -0.370 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000423367806 1072518982 /nfs/dbraw/zinc/51/89/82/1072518982.db2.gz YWHPRDHZXYRIQF-XIRDDKMYSA-N 1 0 385.468 -0.370 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1(C)C ZINC000423369243 1072519010 /nfs/dbraw/zinc/51/90/10/1072519010.db2.gz SRRIJJYGRMRCEU-HNNXBMFYSA-N 1 0 379.505 -0.650 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1(C)C ZINC000423369250 1072518828 /nfs/dbraw/zinc/51/88/28/1072518828.db2.gz SRRIJJYGRMRCEU-OAHLLOKOSA-N 1 0 379.505 -0.650 20 0 GBADRO CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423369315 1072519268 /nfs/dbraw/zinc/51/92/68/1072519268.db2.gz OHGIRKYWRJRCNL-CABCVRRESA-N 1 0 396.488 -0.543 20 0 GBADRO CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423369316 1072519347 /nfs/dbraw/zinc/51/93/47/1072519347.db2.gz OHGIRKYWRJRCNL-GJZGRUSLSA-N 1 0 396.488 -0.543 20 0 GBADRO CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423369317 1072519139 /nfs/dbraw/zinc/51/91/39/1072519139.db2.gz OHGIRKYWRJRCNL-HUUCEWRRSA-N 1 0 396.488 -0.543 20 0 GBADRO CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423369318 1072518845 /nfs/dbraw/zinc/51/88/45/1072518845.db2.gz OHGIRKYWRJRCNL-LSDHHAIUSA-N 1 0 396.488 -0.543 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423370265 1072519927 /nfs/dbraw/zinc/51/99/27/1072519927.db2.gz FMQNQLLODPJRCR-CVEARBPZSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423370269 1072520284 /nfs/dbraw/zinc/52/02/84/1072520284.db2.gz FMQNQLLODPJRCR-HOTGVXAUSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423370271 1072520183 /nfs/dbraw/zinc/52/01/83/1072520183.db2.gz FMQNQLLODPJRCR-HZPDHXFCSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423370272 1072519769 /nfs/dbraw/zinc/51/97/69/1072519769.db2.gz FMQNQLLODPJRCR-JKSUJKDBSA-N 1 0 388.468 -0.007 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423372532 1072517007 /nfs/dbraw/zinc/51/70/07/1072517007.db2.gz QZYHEHYKCUYMAH-UHFFFAOYSA-N 1 0 384.521 -0.088 20 0 GBADRO COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423375963 1072520156 /nfs/dbraw/zinc/52/01/56/1072520156.db2.gz DLNYZAKWAMNZHJ-CABCVRRESA-N 1 0 394.472 -0.789 20 0 GBADRO COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423375999 1072519935 /nfs/dbraw/zinc/51/99/35/1072519935.db2.gz DLNYZAKWAMNZHJ-GJZGRUSLSA-N 1 0 394.472 -0.789 20 0 GBADRO COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423376001 1072520187 /nfs/dbraw/zinc/52/01/87/1072520187.db2.gz DLNYZAKWAMNZHJ-HUUCEWRRSA-N 1 0 394.472 -0.789 20 0 GBADRO COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423376004 1072520146 /nfs/dbraw/zinc/52/01/46/1072520146.db2.gz DLNYZAKWAMNZHJ-LSDHHAIUSA-N 1 0 394.472 -0.789 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000423376830 1072522086 /nfs/dbraw/zinc/52/20/86/1072522086.db2.gz JDBXBZGKZMLSMS-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000423376832 1072522250 /nfs/dbraw/zinc/52/22/50/1072522250.db2.gz JDBXBZGKZMLSMS-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423378824 1072519743 /nfs/dbraw/zinc/51/97/43/1072519743.db2.gz WRILGHSSWQMNEN-KRWDZBQOSA-N 1 0 381.521 -0.938 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423378825 1072519839 /nfs/dbraw/zinc/51/98/39/1072519839.db2.gz WRILGHSSWQMNEN-QGZVFWFLSA-N 1 0 381.521 -0.938 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423378952 1072519693 /nfs/dbraw/zinc/51/96/93/1072519693.db2.gz XBDKDIHDJMCRSG-KRWDZBQOSA-N 1 0 396.532 -0.231 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423378954 1072519994 /nfs/dbraw/zinc/51/99/94/1072519994.db2.gz XBDKDIHDJMCRSG-QGZVFWFLSA-N 1 0 396.532 -0.231 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423387358 1072520273 /nfs/dbraw/zinc/52/02/73/1072520273.db2.gz MMQSASVFFKPZFE-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423387359 1072519987 /nfs/dbraw/zinc/51/99/87/1072519987.db2.gz MMQSASVFFKPZFE-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H](C)C1=O ZINC000423387656 1072520850 /nfs/dbraw/zinc/52/08/50/1072520850.db2.gz HWRFADOWHAYWKK-CABCVRRESA-N 1 0 395.504 -0.985 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1=O ZINC000423387661 1072521092 /nfs/dbraw/zinc/52/10/92/1072521092.db2.gz HWRFADOWHAYWKK-GJZGRUSLSA-N 1 0 395.504 -0.985 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H](C)C1=O ZINC000423387663 1072521292 /nfs/dbraw/zinc/52/12/92/1072521292.db2.gz HWRFADOWHAYWKK-HUUCEWRRSA-N 1 0 395.504 -0.985 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1=O ZINC000423387665 1072521518 /nfs/dbraw/zinc/52/15/18/1072521518.db2.gz HWRFADOWHAYWKK-LSDHHAIUSA-N 1 0 395.504 -0.985 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCN1C ZINC000423390370 1072520596 /nfs/dbraw/zinc/52/05/96/1072520596.db2.gz VVLAAZRWPLCDDI-DLBZAZTESA-N 1 0 393.532 -0.545 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCN1C ZINC000423390371 1072521328 /nfs/dbraw/zinc/52/13/28/1072521328.db2.gz VVLAAZRWPLCDDI-IAGOWNOFSA-N 1 0 393.532 -0.545 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCN1C ZINC000423390372 1072521579 /nfs/dbraw/zinc/52/15/79/1072521579.db2.gz VVLAAZRWPLCDDI-IRXDYDNUSA-N 1 0 393.532 -0.545 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCN1C ZINC000423390373 1072521213 /nfs/dbraw/zinc/52/12/13/1072521213.db2.gz VVLAAZRWPLCDDI-SJORKVTESA-N 1 0 393.532 -0.545 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000423390880 1072521114 /nfs/dbraw/zinc/52/11/14/1072521114.db2.gz WJTAFCRWAOUFPK-GDBMZVCRSA-N 1 0 389.456 -0.625 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000423390881 1072521381 /nfs/dbraw/zinc/52/13/81/1072521381.db2.gz WJTAFCRWAOUFPK-GOEBONIOSA-N 1 0 389.456 -0.625 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCCO1 ZINC000423391643 1072521447 /nfs/dbraw/zinc/52/14/47/1072521447.db2.gz NVMGQZJQSOMQKE-INIZCTEOSA-N 1 0 392.431 -0.427 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCCO1 ZINC000423391644 1072521547 /nfs/dbraw/zinc/52/15/47/1072521547.db2.gz NVMGQZJQSOMQKE-MRXNPFEDSA-N 1 0 392.431 -0.427 20 0 GBADRO COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C2 ZINC000423392358 1072521066 /nfs/dbraw/zinc/52/10/66/1072521066.db2.gz QFTOLGGCTCOJQG-HNNXBMFYSA-N 1 0 388.468 -0.107 20 0 GBADRO COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C2 ZINC000423392360 1072521528 /nfs/dbraw/zinc/52/15/28/1072521528.db2.gz QFTOLGGCTCOJQG-OAHLLOKOSA-N 1 0 388.468 -0.107 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCN1C ZINC000423393022 1072521493 /nfs/dbraw/zinc/52/14/93/1072521493.db2.gz YAVISLGSBAMATB-CVEARBPZSA-N 1 0 377.493 -0.301 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCN1C ZINC000423393023 1072520982 /nfs/dbraw/zinc/52/09/82/1072520982.db2.gz YAVISLGSBAMATB-HOTGVXAUSA-N 1 0 377.493 -0.301 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCN1C ZINC000423393024 1072520722 /nfs/dbraw/zinc/52/07/22/1072520722.db2.gz YAVISLGSBAMATB-HZPDHXFCSA-N 1 0 377.493 -0.301 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCN1C ZINC000423393025 1072521461 /nfs/dbraw/zinc/52/14/61/1072521461.db2.gz YAVISLGSBAMATB-JKSUJKDBSA-N 1 0 377.493 -0.301 20 0 GBADRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423394403 1072521411 /nfs/dbraw/zinc/52/14/11/1072521411.db2.gz RKLKFZYPFNVTOM-INIZCTEOSA-N 1 0 388.468 -0.135 20 0 GBADRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423394408 1072520642 /nfs/dbraw/zinc/52/06/42/1072520642.db2.gz RKLKFZYPFNVTOM-MRXNPFEDSA-N 1 0 388.468 -0.135 20 0 GBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423394943 1072520768 /nfs/dbraw/zinc/52/07/68/1072520768.db2.gz RNKYIXIGINBRIY-HDICACEKSA-N 1 0 385.512 -0.055 20 0 GBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423395062 1072521566 /nfs/dbraw/zinc/52/15/66/1072521566.db2.gz RPSFCELJVWAKIG-GOSISDBHSA-N 1 0 389.500 -0.547 20 0 GBADRO CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423395079 1072521535 /nfs/dbraw/zinc/52/15/35/1072521535.db2.gz RPSFCELJVWAKIG-SFHVURJKSA-N 1 0 389.500 -0.547 20 0 GBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423398691 1072521016 /nfs/dbraw/zinc/52/10/16/1072521016.db2.gz UCTYQCJXOWWMLW-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423398692 1072520681 /nfs/dbraw/zinc/52/06/81/1072520681.db2.gz UCTYQCJXOWWMLW-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423398693 1072520926 /nfs/dbraw/zinc/52/09/26/1072520926.db2.gz UCTYQCJXOWWMLW-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423398694 1072521167 /nfs/dbraw/zinc/52/11/67/1072521167.db2.gz UCTYQCJXOWWMLW-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000423399576 1072520893 /nfs/dbraw/zinc/52/08/93/1072520893.db2.gz PQHMUDPJTSPXIZ-QLFBSQMISA-N 1 0 382.505 -0.038 20 0 GBADRO CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000423399579 1072521523 /nfs/dbraw/zinc/52/15/23/1072521523.db2.gz PQHMUDPJTSPXIZ-RBSFLKMASA-N 1 0 382.505 -0.038 20 0 GBADRO CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000423399580 1072521530 /nfs/dbraw/zinc/52/15/30/1072521530.db2.gz PQHMUDPJTSPXIZ-RRFJBIMHSA-N 1 0 382.505 -0.038 20 0 GBADRO CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000423399583 1072521139 /nfs/dbraw/zinc/52/11/39/1072521139.db2.gz PQHMUDPJTSPXIZ-SOUVJXGZSA-N 1 0 382.505 -0.038 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)[C@H](C)C1=O ZINC000423400276 1072520667 /nfs/dbraw/zinc/52/06/67/1072520667.db2.gz QDCPLNGRJGGFHQ-CVEARBPZSA-N 1 0 394.516 -0.084 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)[C@@H](C)C1=O ZINC000423400279 1072520908 /nfs/dbraw/zinc/52/09/08/1072520908.db2.gz QDCPLNGRJGGFHQ-HOTGVXAUSA-N 1 0 394.516 -0.084 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[C@H](C)C1=O ZINC000423400280 1072521282 /nfs/dbraw/zinc/52/12/82/1072521282.db2.gz QDCPLNGRJGGFHQ-HZPDHXFCSA-N 1 0 394.516 -0.084 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[C@@H](C)C1=O ZINC000423400281 1072520914 /nfs/dbraw/zinc/52/09/14/1072520914.db2.gz QDCPLNGRJGGFHQ-JKSUJKDBSA-N 1 0 394.516 -0.084 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423401434 1072522488 /nfs/dbraw/zinc/52/24/88/1072522488.db2.gz WDUVSEYHAAEMAQ-CVEARBPZSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423401436 1072522136 /nfs/dbraw/zinc/52/21/36/1072522136.db2.gz WDUVSEYHAAEMAQ-HOTGVXAUSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423401438 1072521902 /nfs/dbraw/zinc/52/19/02/1072521902.db2.gz WDUVSEYHAAEMAQ-HZPDHXFCSA-N 1 0 388.468 -0.007 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423401441 1072522456 /nfs/dbraw/zinc/52/24/56/1072522456.db2.gz WDUVSEYHAAEMAQ-JKSUJKDBSA-N 1 0 388.468 -0.007 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCO1 ZINC000423401533 1072520008 /nfs/dbraw/zinc/52/00/08/1072520008.db2.gz VYDUQVOSVFVVQG-HNNXBMFYSA-N 1 0 378.404 -0.817 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCO1 ZINC000423401539 1072520140 /nfs/dbraw/zinc/52/01/40/1072520140.db2.gz VYDUQVOSVFVVQG-OAHLLOKOSA-N 1 0 378.404 -0.817 20 0 GBADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423402212 1072522318 /nfs/dbraw/zinc/52/23/18/1072522318.db2.gz WPGZBMJYHQFCQU-INIZCTEOSA-N 1 0 388.468 -0.135 20 0 GBADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423402213 1072522362 /nfs/dbraw/zinc/52/23/62/1072522362.db2.gz WPGZBMJYHQFCQU-MRXNPFEDSA-N 1 0 388.468 -0.135 20 0 GBADRO CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403061 1072522373 /nfs/dbraw/zinc/52/23/73/1072522373.db2.gz XAWWICVJJDIPIG-DZKIICNBSA-N 1 0 377.493 -0.159 20 0 GBADRO CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403074 1072522025 /nfs/dbraw/zinc/52/20/25/1072522025.db2.gz XAWWICVJJDIPIG-IJEWVQPXSA-N 1 0 377.493 -0.159 20 0 GBADRO CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403077 1072522101 /nfs/dbraw/zinc/52/21/01/1072522101.db2.gz XAWWICVJJDIPIG-OFQRWUPVSA-N 1 0 377.493 -0.159 20 0 GBADRO CCN1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403079 1072523222 /nfs/dbraw/zinc/52/32/22/1072523222.db2.gz XAWWICVJJDIPIG-YCPHGPKFSA-N 1 0 377.493 -0.159 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)C1 ZINC000423404376 1072523361 /nfs/dbraw/zinc/52/33/61/1072523361.db2.gz YGAQTWULBMVLND-CVEARBPZSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)C1 ZINC000423404377 1072523171 /nfs/dbraw/zinc/52/31/71/1072523171.db2.gz YGAQTWULBMVLND-HOTGVXAUSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)C1 ZINC000423404378 1072522920 /nfs/dbraw/zinc/52/29/20/1072522920.db2.gz YGAQTWULBMVLND-HZPDHXFCSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)C1 ZINC000423404379 1072523341 /nfs/dbraw/zinc/52/33/41/1072523341.db2.gz YGAQTWULBMVLND-JKSUJKDBSA-N 1 0 380.489 -0.283 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccs3)CC2)C1 ZINC000423413244 1072523004 /nfs/dbraw/zinc/52/30/04/1072523004.db2.gz JXHFOYYFTZTFRQ-AWEZNQCLSA-N 1 0 393.513 -0.290 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccs3)CC2)C1 ZINC000423413245 1072523330 /nfs/dbraw/zinc/52/33/30/1072523330.db2.gz JXHFOYYFTZTFRQ-CQSZACIVSA-N 1 0 393.513 -0.290 20 0 GBADRO Cc1csc([C@@H]2COCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000423413716 1072523021 /nfs/dbraw/zinc/52/30/21/1072523021.db2.gz ZUJUOROYTIICSQ-CABCVRRESA-N 1 0 393.513 -0.142 20 0 GBADRO Cc1csc([C@@H]2COCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000423413717 1072522936 /nfs/dbraw/zinc/52/29/36/1072522936.db2.gz ZUJUOROYTIICSQ-GJZGRUSLSA-N 1 0 393.513 -0.142 20 0 GBADRO Cc1csc([C@H]2COCCN2C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000423413718 1072523015 /nfs/dbraw/zinc/52/30/15/1072523015.db2.gz ZUJUOROYTIICSQ-HUUCEWRRSA-N 1 0 393.513 -0.142 20 0 GBADRO Cc1csc([C@H]2COCCN2C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000423413719 1072522844 /nfs/dbraw/zinc/52/28/44/1072522844.db2.gz ZUJUOROYTIICSQ-LSDHHAIUSA-N 1 0 393.513 -0.142 20 0 GBADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423414498 1072523111 /nfs/dbraw/zinc/52/31/11/1072523111.db2.gz NBHSMMJWVCJGLN-KRWDZBQOSA-N 1 0 395.548 -0.010 20 0 GBADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423414504 1072522823 /nfs/dbraw/zinc/52/28/23/1072522823.db2.gz NBHSMMJWVCJGLN-QGZVFWFLSA-N 1 0 395.548 -0.010 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423415012 1072522862 /nfs/dbraw/zinc/52/28/62/1072522862.db2.gz DBGVXPKASKTXPL-GASCZTMLSA-N 1 0 394.497 -0.590 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccccc2)C1 ZINC000423415209 1072523166 /nfs/dbraw/zinc/52/31/66/1072523166.db2.gz AEMFWTDDKVGVDA-DLBZAZTESA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccccc2)C1 ZINC000423415210 1072522888 /nfs/dbraw/zinc/52/28/88/1072522888.db2.gz AEMFWTDDKVGVDA-IAGOWNOFSA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2c2ccccc2)C1 ZINC000423415211 1072523156 /nfs/dbraw/zinc/52/31/56/1072523156.db2.gz AEMFWTDDKVGVDA-IRXDYDNUSA-N 1 0 388.468 -0.100 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2c2ccccc2)C1 ZINC000423415212 1072523063 /nfs/dbraw/zinc/52/30/63/1072523063.db2.gz AEMFWTDDKVGVDA-SJORKVTESA-N 1 0 388.468 -0.100 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000423416318 1072523353 /nfs/dbraw/zinc/52/33/53/1072523353.db2.gz FSAZBKNQVPZTHM-HNNXBMFYSA-N 1 0 396.513 -0.058 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000423416322 1072523310 /nfs/dbraw/zinc/52/33/10/1072523310.db2.gz FSAZBKNQVPZTHM-OAHLLOKOSA-N 1 0 396.513 -0.058 20 0 GBADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423416518 1072522976 /nfs/dbraw/zinc/52/29/76/1072522976.db2.gz QTYDJWNVXMEHDV-KRWDZBQOSA-N 1 0 395.548 -0.010 20 0 GBADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423416520 1072523377 /nfs/dbraw/zinc/52/33/77/1072523377.db2.gz 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CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)s1 ZINC000423440846 1072525787 /nfs/dbraw/zinc/52/57/87/1072525787.db2.gz XOXXCBOFBXZDLV-NSHDSACASA-N 1 0 381.458 -0.472 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000423441386 1072523146 /nfs/dbraw/zinc/52/31/46/1072523146.db2.gz YKEHLGCZMDOCDU-HNNXBMFYSA-N 1 0 380.489 -0.473 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000423441387 1072522957 /nfs/dbraw/zinc/52/29/57/1072522957.db2.gz YKEHLGCZMDOCDU-OAHLLOKOSA-N 1 0 380.489 -0.473 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000423441752 1072525493 /nfs/dbraw/zinc/52/54/93/1072525493.db2.gz WCNACCYTYVZDRA-GDBMZVCRSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000423441758 1072525510 /nfs/dbraw/zinc/52/55/10/1072525510.db2.gz WCNACCYTYVZDRA-GOEBONIOSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000423441759 1072525696 /nfs/dbraw/zinc/52/56/96/1072525696.db2.gz WCNACCYTYVZDRA-HOCLYGCPSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000423441760 1072525704 /nfs/dbraw/zinc/52/57/04/1072525704.db2.gz WCNACCYTYVZDRA-ZBFHGGJFSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000423441893 1072525521 /nfs/dbraw/zinc/52/55/21/1072525521.db2.gz WHZVADDEUGIBLK-GASCZTMLSA-N 1 0 396.513 -0.059 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000423441894 1072526192 /nfs/dbraw/zinc/52/61/92/1072526192.db2.gz WHZVADDEUGIBLK-GJZGRUSLSA-N 1 0 396.513 -0.059 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000423441895 1072525849 /nfs/dbraw/zinc/52/58/49/1072525849.db2.gz WHZVADDEUGIBLK-HUUCEWRRSA-N 1 0 396.513 -0.059 20 0 GBADRO COCCN(Cc1scnc1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423441920 1072525956 /nfs/dbraw/zinc/52/59/56/1072525956.db2.gz BKEICOVDMCGWSL-HNNXBMFYSA-N 1 0 395.529 -0.067 20 0 GBADRO COCCN(Cc1scnc1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423441922 1072522875 /nfs/dbraw/zinc/52/28/75/1072522875.db2.gz BKEICOVDMCGWSL-OAHLLOKOSA-N 1 0 395.529 -0.067 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000423442493 1072522947 /nfs/dbraw/zinc/52/29/47/1072522947.db2.gz WPMGWUYYJGFRFZ-GOSISDBHSA-N 1 0 396.513 -0.071 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000423442494 1072522969 /nfs/dbraw/zinc/52/29/69/1072522969.db2.gz WPMGWUYYJGFRFZ-SFHVURJKSA-N 1 0 396.513 -0.071 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000423443341 1072523081 /nfs/dbraw/zinc/52/30/81/1072523081.db2.gz XBYMGAXXMDUWFD-UHFFFAOYSA-N 1 0 396.513 -0.071 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000423445325 1072523037 /nfs/dbraw/zinc/52/30/37/1072523037.db2.gz BUCXKYPUZXYOPT-DZGCQCFKSA-N 1 0 394.497 -0.039 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000423445326 1072523746 /nfs/dbraw/zinc/52/37/46/1072523746.db2.gz BUCXKYPUZXYOPT-HIFRSBDPSA-N 1 0 394.497 -0.039 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000423445702 1072522898 /nfs/dbraw/zinc/52/28/98/1072522898.db2.gz BUCXKYPUZXYOPT-UKRRQHHQSA-N 1 0 394.497 -0.039 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000423445704 1072523418 /nfs/dbraw/zinc/52/34/18/1072523418.db2.gz BUCXKYPUZXYOPT-ZFWWWQNUSA-N 1 0 394.497 -0.039 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc(OC)c1OC ZINC000423447737 1072524027 /nfs/dbraw/zinc/52/40/27/1072524027.db2.gz AAAQRKAAUMBGHV-UHFFFAOYSA-N 1 0 394.472 -0.226 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423449172 1072523668 /nfs/dbraw/zinc/52/36/68/1072523668.db2.gz CDCZAKVNLPZOLY-HNNXBMFYSA-N 1 0 376.457 -0.222 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423449173 1072524128 /nfs/dbraw/zinc/52/41/28/1072524128.db2.gz CDCZAKVNLPZOLY-OAHLLOKOSA-N 1 0 376.457 -0.222 20 0 GBADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)CC2 ZINC000423449267 1072523708 /nfs/dbraw/zinc/52/37/08/1072523708.db2.gz CFHQNKVAIUCNTH-INIZCTEOSA-N 1 0 375.425 -0.066 20 0 GBADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)CC2 ZINC000423449289 1072523982 /nfs/dbraw/zinc/52/39/82/1072523982.db2.gz CFHQNKVAIUCNTH-MRXNPFEDSA-N 1 0 375.425 -0.066 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)n1 ZINC000423449552 1072524309 /nfs/dbraw/zinc/52/43/09/1072524309.db2.gz RUGGHLNDFFKZID-UHFFFAOYSA-N 1 0 380.449 -0.929 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)n1 ZINC000423450483 1072524218 /nfs/dbraw/zinc/52/42/18/1072524218.db2.gz TUJBSGIBHCSDMQ-BETUJISGSA-N 1 0 380.449 -0.931 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)n1 ZINC000423450485 1072523947 /nfs/dbraw/zinc/52/39/47/1072523947.db2.gz TUJBSGIBHCSDMQ-CHWSQXEVSA-N 1 0 380.449 -0.931 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)n1 ZINC000423450486 1072524135 /nfs/dbraw/zinc/52/41/35/1072524135.db2.gz TUJBSGIBHCSDMQ-STQMWFEESA-N 1 0 380.449 -0.931 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423450900 1072524112 /nfs/dbraw/zinc/52/41/12/1072524112.db2.gz HUTMJPQSGUXBNM-OAGGEKHMSA-N 1 0 380.489 -0.190 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423450904 1072524089 /nfs/dbraw/zinc/52/40/89/1072524089.db2.gz HUTMJPQSGUXBNM-PMPSAXMXSA-N 1 0 380.489 -0.190 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423451160 1072524328 /nfs/dbraw/zinc/52/43/28/1072524328.db2.gz ICFRZPAJGJAEDC-CABCVRRESA-N 1 0 391.476 -0.630 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423451165 1072523892 /nfs/dbraw/zinc/52/38/92/1072523892.db2.gz ICFRZPAJGJAEDC-GJZGRUSLSA-N 1 0 391.476 -0.630 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423451167 1072523790 /nfs/dbraw/zinc/52/37/90/1072523790.db2.gz ICFRZPAJGJAEDC-HUUCEWRRSA-N 1 0 391.476 -0.630 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423451169 1072523839 /nfs/dbraw/zinc/52/38/39/1072523839.db2.gz ICFRZPAJGJAEDC-LSDHHAIUSA-N 1 0 391.476 -0.630 20 0 GBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423451649 1072524186 /nfs/dbraw/zinc/52/41/86/1072524186.db2.gz YJXYJPYKTPHBLC-JKSUJKDBSA-N 1 0 387.484 -0.652 20 0 GBADRO COc1cccc(OCCN2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423451919 1072524279 /nfs/dbraw/zinc/52/42/79/1072524279.db2.gz HEAURQRJWHKUKY-UHFFFAOYSA-N 1 0 376.457 -0.350 20 0 GBADRO COCCN(Cc1ccc(C)o1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423452583 1072524067 /nfs/dbraw/zinc/52/40/67/1072524067.db2.gz ZFEMMPDAFHISLZ-HNNXBMFYSA-N 1 0 394.472 -0.123 20 0 GBADRO COCCN(Cc1ccc(C)o1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423452585 1072524153 /nfs/dbraw/zinc/52/41/53/1072524153.db2.gz ZFEMMPDAFHISLZ-OAHLLOKOSA-N 1 0 394.472 -0.123 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423457053 1072526043 /nfs/dbraw/zinc/52/60/43/1072526043.db2.gz OPFBHSWKCKFISO-CABCVRRESA-N 1 0 380.489 -0.330 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423457062 1072525547 /nfs/dbraw/zinc/52/55/47/1072525547.db2.gz OPFBHSWKCKFISO-GJZGRUSLSA-N 1 0 380.489 -0.330 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423457069 1072525943 /nfs/dbraw/zinc/52/59/43/1072525943.db2.gz OPFBHSWKCKFISO-HUUCEWRRSA-N 1 0 380.489 -0.330 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423457075 1072525875 /nfs/dbraw/zinc/52/58/75/1072525875.db2.gz OPFBHSWKCKFISO-LSDHHAIUSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423457274 1072525647 /nfs/dbraw/zinc/52/56/47/1072525647.db2.gz IEQVWFBLGLLTSZ-BVIKNXMNSA-N 1 0 396.532 -0.091 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000423457277 1072526099 /nfs/dbraw/zinc/52/60/99/1072526099.db2.gz IEQVWFBLGLLTSZ-CUSZFKRNSA-N 1 0 396.532 -0.091 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000423457278 1072526081 /nfs/dbraw/zinc/52/60/81/1072526081.db2.gz IEQVWFBLGLLTSZ-LHHMISFZSA-N 1 0 396.532 -0.091 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423457281 1072525569 /nfs/dbraw/zinc/52/55/69/1072525569.db2.gz IEQVWFBLGLLTSZ-LISAXSMJSA-N 1 0 396.532 -0.091 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1CC(F)F ZINC000423460388 1072525896 /nfs/dbraw/zinc/52/58/96/1072525896.db2.gz RXZIFUBPOPESNV-CABCVRRESA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1CC(F)F ZINC000423460395 1072525726 /nfs/dbraw/zinc/52/57/26/1072525726.db2.gz RXZIFUBPOPESNV-GJZGRUSLSA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1CC(F)F ZINC000423460399 1072525616 /nfs/dbraw/zinc/52/56/16/1072525616.db2.gz RXZIFUBPOPESNV-HUUCEWRRSA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1CC(F)F ZINC000423460405 1072525884 /nfs/dbraw/zinc/52/58/84/1072525884.db2.gz RXZIFUBPOPESNV-LSDHHAIUSA-N 1 0 387.475 -0.320 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000423466643 1072525757 /nfs/dbraw/zinc/52/57/57/1072525757.db2.gz AUVVKTDSJFNYFX-UHFFFAOYSA-N 1 0 382.505 -0.070 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000423468270 1073009615 /nfs/dbraw/zinc/00/96/15/1073009615.db2.gz ZDEGVTBNAUZCRH-UHFFFAOYSA-N 1 0 378.473 -0.104 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423468383 1072526180 /nfs/dbraw/zinc/52/61/80/1072526180.db2.gz BVZVXOVNQJRYQJ-UHFFFAOYSA-N 1 0 377.445 -0.805 20 0 GBADRO CN(C)c1nccc([C@@H]2CN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CCO2)n1 ZINC000423468808 1072525740 /nfs/dbraw/zinc/52/57/40/1072525740.db2.gz FTRREMJTPVGXEW-AWEZNQCLSA-N 1 0 376.461 -0.347 20 0 GBADRO CN(C)c1nccc([C@H]2CN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CCO2)n1 ZINC000423468811 1072525768 /nfs/dbraw/zinc/52/57/68/1072525768.db2.gz FTRREMJTPVGXEW-CQSZACIVSA-N 1 0 376.461 -0.347 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1CC(F)F ZINC000423469146 1072527139 /nfs/dbraw/zinc/52/71/39/1072527139.db2.gz YNMYLCUPAHGOKC-CABCVRRESA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1CC(F)F ZINC000423469148 1072526907 /nfs/dbraw/zinc/52/69/07/1072526907.db2.gz YNMYLCUPAHGOKC-GJZGRUSLSA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1CC(F)F ZINC000423469155 1072526854 /nfs/dbraw/zinc/52/68/54/1072526854.db2.gz YNMYLCUPAHGOKC-HUUCEWRRSA-N 1 0 387.475 -0.320 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1CC(F)F ZINC000423469158 1072526914 /nfs/dbraw/zinc/52/69/14/1072526914.db2.gz YNMYLCUPAHGOKC-LSDHHAIUSA-N 1 0 387.475 -0.320 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423470352 1072527003 /nfs/dbraw/zinc/52/70/03/1072527003.db2.gz DGELIAFZPBJDRS-CVEARBPZSA-N 1 0 394.516 -0.070 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423470353 1072526657 /nfs/dbraw/zinc/52/66/57/1072526657.db2.gz DGELIAFZPBJDRS-HOTGVXAUSA-N 1 0 394.516 -0.070 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423470355 1072526646 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FRNDXXDAYXRGKL-MRXNPFEDSA-N 1 0 394.516 -0.070 20 0 GBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423472919 1072526843 /nfs/dbraw/zinc/52/68/43/1072526843.db2.gz NLUMLOVVTOWTIH-NEPJUHHUSA-N 1 0 394.394 -0.962 20 0 GBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423472933 1072526668 /nfs/dbraw/zinc/52/66/68/1072526668.db2.gz NLUMLOVVTOWTIH-NWDGAFQWSA-N 1 0 394.394 -0.962 20 0 GBADRO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423472937 1072526920 /nfs/dbraw/zinc/52/69/20/1072526920.db2.gz NLUMLOVVTOWTIH-RYUDHWBXSA-N 1 0 394.394 -0.962 20 0 GBADRO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423472939 1072526796 /nfs/dbraw/zinc/52/67/96/1072526796.db2.gz NLUMLOVVTOWTIH-VXGBXAGGSA-N 1 0 394.394 -0.962 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423475980 1072526992 /nfs/dbraw/zinc/52/69/92/1072526992.db2.gz ILTZILALUWFSLD-IBGZPJMESA-N 1 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-0.332 20 0 GBADRO CN(CCOCC1CC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423476201 1072526732 /nfs/dbraw/zinc/52/67/32/1072526732.db2.gz IPLGSZRSCGYHHY-INIZCTEOSA-N 1 0 380.489 -0.458 20 0 GBADRO CN(CCOCC1CC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423476202 1072526526 /nfs/dbraw/zinc/52/65/26/1072526526.db2.gz IPLGSZRSCGYHHY-MRXNPFEDSA-N 1 0 380.489 -0.458 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000423480433 1072526768 /nfs/dbraw/zinc/52/67/68/1072526768.db2.gz NEVHVZGZKVRKEV-UHFFFAOYSA-N 1 0 382.505 -0.070 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423481810 1072527742 /nfs/dbraw/zinc/52/77/42/1072527742.db2.gz OOEIIMMRZBUKDK-UHFFFAOYSA-N 1 0 380.489 -0.316 20 0 GBADRO COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423481957 1072527072 /nfs/dbraw/zinc/52/70/72/1072527072.db2.gz XDWTUKHUVNDMID-AUUYWEPGSA-N 1 0 394.472 -0.932 20 0 GBADRO COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423481958 1072526571 /nfs/dbraw/zinc/52/65/71/1072526571.db2.gz XDWTUKHUVNDMID-IFXJQAMLSA-N 1 0 394.472 -0.932 20 0 GBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423481961 1072527642 /nfs/dbraw/zinc/52/76/42/1072527642.db2.gz XDWTUKHUVNDMID-KUHUBIRLSA-N 1 0 394.472 -0.932 20 0 GBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423481963 1072529143 /nfs/dbraw/zinc/52/91/43/1072529143.db2.gz XDWTUKHUVNDMID-LIRRHRJNSA-N 1 0 394.472 -0.932 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423483483 1072529073 /nfs/dbraw/zinc/52/90/73/1072529073.db2.gz QAXRVJLFJWZYGP-UHFFFAOYSA-N 1 0 389.456 -0.790 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423483553 1072529062 /nfs/dbraw/zinc/52/90/62/1072529062.db2.gz QGDIFZTZNFCYDG-AWEZNQCLSA-N 1 0 389.456 -0.663 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423483558 1072528513 /nfs/dbraw/zinc/52/85/13/1072528513.db2.gz QGDIFZTZNFCYDG-CQSZACIVSA-N 1 0 389.456 -0.663 20 0 GBADRO CCCCN(CCCO)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423485623 1072528738 /nfs/dbraw/zinc/52/87/38/1072528738.db2.gz VJTDKPADLARJOX-INIZCTEOSA-N 1 0 382.505 -0.332 20 0 GBADRO CCCCN(CCCO)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423485624 1072528610 /nfs/dbraw/zinc/52/86/10/1072528610.db2.gz VJTDKPADLARJOX-MRXNPFEDSA-N 1 0 382.505 -0.332 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423487404 1072528790 /nfs/dbraw/zinc/52/87/90/1072528790.db2.gz CPDPKVKKYOPNQL-FQEVSTJZSA-N 1 0 384.436 -0.047 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423487487 1072528554 /nfs/dbraw/zinc/52/85/54/1072528554.db2.gz CPDPKVKKYOPNQL-HXUWFJFHSA-N 1 0 384.436 -0.047 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423489817 1072528977 /nfs/dbraw/zinc/52/89/77/1072528977.db2.gz HAIKVYFPVLMLQK-KBPBESRZSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423489818 1072528726 /nfs/dbraw/zinc/52/87/26/1072528726.db2.gz HAIKVYFPVLMLQK-KGLIPLIRSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423489819 1072528401 /nfs/dbraw/zinc/52/84/01/1072528401.db2.gz HAIKVYFPVLMLQK-UONOGXRCSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423489820 1072528840 /nfs/dbraw/zinc/52/88/40/1072528840.db2.gz HAIKVYFPVLMLQK-ZIAGYGMSSA-N 1 0 384.436 -0.191 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423490398 1072528862 /nfs/dbraw/zinc/52/88/62/1072528862.db2.gz XQQWJANDMBGABD-UHFFFAOYSA-N 1 0 380.489 -0.316 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423491801 1072529179 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/nfs/dbraw/zinc/52/88/51/1072528851.db2.gz QGGZDBMZUSSJFF-VBNZEHGJSA-N 1 0 384.436 -0.063 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423494696 1072528570 /nfs/dbraw/zinc/52/85/70/1072528570.db2.gz DEGFCESWOGIKAR-KRWDZBQOSA-N 1 0 385.468 -0.632 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423494697 1072529127 /nfs/dbraw/zinc/52/91/27/1072529127.db2.gz DEGFCESWOGIKAR-QGZVFWFLSA-N 1 0 385.468 -0.632 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423494817 1072528379 /nfs/dbraw/zinc/52/83/79/1072528379.db2.gz BBABKRUDVPYVES-DLBZAZTESA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423494824 1072528884 /nfs/dbraw/zinc/52/88/84/1072528884.db2.gz BBABKRUDVPYVES-IAGOWNOFSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423494825 1072529138 /nfs/dbraw/zinc/52/91/38/1072529138.db2.gz BBABKRUDVPYVES-IRXDYDNUSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423494826 1072528897 /nfs/dbraw/zinc/52/88/97/1072528897.db2.gz BBABKRUDVPYVES-SJORKVTESA-N 1 0 393.532 -0.271 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423496092 1072530299 /nfs/dbraw/zinc/53/02/99/1072530299.db2.gz WDYFHHPNXSUHMI-KBPBESRZSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423496095 1072529758 /nfs/dbraw/zinc/52/97/58/1072529758.db2.gz WDYFHHPNXSUHMI-KGLIPLIRSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423496098 1072529448 /nfs/dbraw/zinc/52/94/48/1072529448.db2.gz WDYFHHPNXSUHMI-UONOGXRCSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423496100 1072530117 /nfs/dbraw/zinc/53/01/17/1072530117.db2.gz WDYFHHPNXSUHMI-ZIAGYGMSSA-N 1 0 384.436 -0.191 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423496560 1072530232 /nfs/dbraw/zinc/53/02/32/1072530232.db2.gz WZCHWCZEQZUPRJ-BBRMVZONSA-N 1 0 384.436 -0.049 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423496561 1072529676 /nfs/dbraw/zinc/52/96/76/1072529676.db2.gz WZCHWCZEQZUPRJ-CJNGLKHVSA-N 1 0 384.436 -0.049 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423496562 1072529968 /nfs/dbraw/zinc/52/99/68/1072529968.db2.gz WZCHWCZEQZUPRJ-CZUORRHYSA-N 1 0 384.436 -0.049 20 0 GBADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423496563 1072529520 /nfs/dbraw/zinc/52/95/20/1072529520.db2.gz WZCHWCZEQZUPRJ-XJKSGUPXSA-N 1 0 384.436 -0.049 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000423498964 1072527564 /nfs/dbraw/zinc/52/75/64/1072527564.db2.gz BOPQLXVFYLTTBO-DZGCQCFKSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000423498969 1072527591 /nfs/dbraw/zinc/52/75/91/1072527591.db2.gz BOPQLXVFYLTTBO-HIFRSBDPSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000423498970 1072527824 /nfs/dbraw/zinc/52/78/24/1072527824.db2.gz BOPQLXVFYLTTBO-UKRRQHHQSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000423498971 1072527889 /nfs/dbraw/zinc/52/78/89/1072527889.db2.gz BOPQLXVFYLTTBO-ZFWWWQNUSA-N 1 0 386.518 -0.340 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ncsc2C1 ZINC000423501967 1072527873 /nfs/dbraw/zinc/52/78/73/1072527873.db2.gz LQLOOVMWSBZCOB-CYBMUJFWSA-N 1 0 391.497 -0.302 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2ncsc2C1 ZINC000423501986 1072527614 /nfs/dbraw/zinc/52/76/14/1072527614.db2.gz LQLOOVMWSBZCOB-ZDUSSCGKSA-N 1 0 391.497 -0.302 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000423502271 1072528012 /nfs/dbraw/zinc/52/80/12/1072528012.db2.gz DVMQPAPRHFVCAA-HNNXBMFYSA-N 1 0 376.457 -0.092 20 0 GBADRO COc1cc(CN2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000423502272 1072527838 /nfs/dbraw/zinc/52/78/38/1072527838.db2.gz DVMQPAPRHFVCAA-OAHLLOKOSA-N 1 0 376.457 -0.092 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423503555 1072528125 /nfs/dbraw/zinc/52/81/25/1072528125.db2.gz FYRVCTAAECDSRL-DLBZAZTESA-N 1 0 395.548 -0.027 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423503581 1072527369 /nfs/dbraw/zinc/52/73/69/1072527369.db2.gz FYRVCTAAECDSRL-IAGOWNOFSA-N 1 0 395.548 -0.027 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423503582 1072527938 /nfs/dbraw/zinc/52/79/38/1072527938.db2.gz FYRVCTAAECDSRL-IRXDYDNUSA-N 1 0 395.548 -0.027 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423503583 1072527766 /nfs/dbraw/zinc/52/77/66/1072527766.db2.gz FYRVCTAAECDSRL-SJORKVTESA-N 1 0 395.548 -0.027 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423504421 1072527358 /nfs/dbraw/zinc/52/73/58/1072527358.db2.gz GJWOZFURBDJUSB-HNNXBMFYSA-N 1 0 381.521 -0.415 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423504422 1072527340 /nfs/dbraw/zinc/52/73/40/1072527340.db2.gz GJWOZFURBDJUSB-OAHLLOKOSA-N 1 0 381.521 -0.415 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)N3CC[C@H]([NH3+])C3)C2=O)c1 ZINC000423504513 1072527965 /nfs/dbraw/zinc/52/79/65/1072527965.db2.gz GTFOFTDBIRCWIZ-BLLLJJGKSA-N 1 0 390.440 -0.173 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)N3CC[C@H]([NH3+])C3)C2=O)c1 ZINC000423504515 1072527719 /nfs/dbraw/zinc/52/77/19/1072527719.db2.gz GTFOFTDBIRCWIZ-LRDDRELGSA-N 1 0 390.440 -0.173 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2=O)c1 ZINC000423504516 1072527985 /nfs/dbraw/zinc/52/79/85/1072527985.db2.gz GTFOFTDBIRCWIZ-MLGOLLRUSA-N 1 0 390.440 -0.173 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2=O)c1 ZINC000423504517 1072527520 /nfs/dbraw/zinc/52/75/20/1072527520.db2.gz GTFOFTDBIRCWIZ-WBMJQRKESA-N 1 0 390.440 -0.173 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH3+])C2=O)c1 ZINC000423505967 1072527731 /nfs/dbraw/zinc/52/77/31/1072527731.db2.gz HQTJGYIXFZQVIT-HNNXBMFYSA-N 1 0 378.429 -0.315 20 0 GBADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH3+])C2=O)c1 ZINC000423505974 1072527756 /nfs/dbraw/zinc/52/77/56/1072527756.db2.gz HQTJGYIXFZQVIT-OAHLLOKOSA-N 1 0 378.429 -0.315 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423506000 1072527531 /nfs/dbraw/zinc/52/75/31/1072527531.db2.gz HSJGCGPAVCMBQD-INIZCTEOSA-N 1 0 398.504 -0.832 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423506001 1072528132 /nfs/dbraw/zinc/52/81/32/1072528132.db2.gz HSJGCGPAVCMBQD-MRXNPFEDSA-N 1 0 398.504 -0.832 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423506050 1072527379 /nfs/dbraw/zinc/52/73/79/1072527379.db2.gz LXDJFFCHHMXLFE-KRWDZBQOSA-N 1 0 385.468 -0.632 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423506051 1072527667 /nfs/dbraw/zinc/52/76/67/1072527667.db2.gz LXDJFFCHHMXLFE-QGZVFWFLSA-N 1 0 385.468 -0.632 20 0 GBADRO COCCOCCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423507456 1072528019 /nfs/dbraw/zinc/52/80/19/1072528019.db2.gz MTLVFKKJJJZQJH-KRWDZBQOSA-N 1 0 379.457 -0.136 20 0 GBADRO COCCOCCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423507457 1072527992 /nfs/dbraw/zinc/52/79/92/1072527992.db2.gz MTLVFKKJJJZQJH-QGZVFWFLSA-N 1 0 379.457 -0.136 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423509095 1073011385 /nfs/dbraw/zinc/01/13/85/1073011385.db2.gz LGXKFAIFODGMOM-UHFFFAOYSA-N 1 0 391.538 -0.825 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCN1c1nccn2cnnc12 ZINC000423515514 1073518355 /nfs/dbraw/zinc/51/83/55/1073518355.db2.gz ACVYOBJOBHLHRJ-AUUYWEPGSA-N 1 0 398.471 -0.484 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCN1c1nccn2cnnc12 ZINC000423515515 1073517702 /nfs/dbraw/zinc/51/77/02/1073517702.db2.gz ACVYOBJOBHLHRJ-IFXJQAMLSA-N 1 0 398.471 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCN1c1nccn2cnnc12 ZINC000423515516 1073518350 /nfs/dbraw/zinc/51/83/50/1073518350.db2.gz ACVYOBJOBHLHRJ-KUHUBIRLSA-N 1 0 398.471 -0.484 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCN1c1nccn2cnnc12 ZINC000423515517 1073518315 /nfs/dbraw/zinc/51/83/15/1073518315.db2.gz ACVYOBJOBHLHRJ-LIRRHRJNSA-N 1 0 398.471 -0.484 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423515645 1072531105 /nfs/dbraw/zinc/53/11/05/1072531105.db2.gz FWPSORIYYXRRBX-CFVMTHIKSA-N 1 0 378.404 -0.948 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC000423515646 1072530983 /nfs/dbraw/zinc/53/09/83/1072530983.db2.gz FWPSORIYYXRRBX-NWANDNLSSA-N 1 0 378.404 -0.948 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1c1nccn2cnnc12 ZINC000423516646 1072530699 /nfs/dbraw/zinc/53/06/99/1072530699.db2.gz AYVYANBCTMYNOH-CYBMUJFWSA-N 1 0 386.460 -0.628 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1c1nccn2cnnc12 ZINC000423516647 1072531018 /nfs/dbraw/zinc/53/10/18/1072531018.db2.gz AYVYANBCTMYNOH-ZDUSSCGKSA-N 1 0 386.460 -0.628 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]1CC[C@H](C)C1 ZINC000423518273 1072530744 /nfs/dbraw/zinc/53/07/44/1072530744.db2.gz CHASNSSGXFEMNR-HRCADAONSA-N 1 0 382.505 -0.037 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]1CC[C@H](C)C1 ZINC000423518274 1072531361 /nfs/dbraw/zinc/53/13/61/1072531361.db2.gz CHASNSSGXFEMNR-JYJNAYRXSA-N 1 0 382.505 -0.037 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]1CC[C@@H](C)C1 ZINC000423518275 1072530756 /nfs/dbraw/zinc/53/07/56/1072530756.db2.gz CHASNSSGXFEMNR-OWCLPIDISA-N 1 0 382.505 -0.037 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]1CC[C@@H](C)C1 ZINC000423518276 1072531009 /nfs/dbraw/zinc/53/10/09/1072531009.db2.gz CHASNSSGXFEMNR-PMPSAXMXSA-N 1 0 382.505 -0.037 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423518967 1072531118 /nfs/dbraw/zinc/53/11/18/1072531118.db2.gz CWGNYRGLIZBFAD-HZSPNIEDSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423518968 1072530770 /nfs/dbraw/zinc/53/07/70/1072530770.db2.gz CWGNYRGLIZBFAD-MCIONIFRSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423518969 1072530798 /nfs/dbraw/zinc/53/07/98/1072530798.db2.gz CWGNYRGLIZBFAD-MGPQQGTHSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423518970 1072530897 /nfs/dbraw/zinc/53/08/97/1072530897.db2.gz CWGNYRGLIZBFAD-MJBXVCDLSA-N 1 0 386.460 -0.630 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000423519243 1072530587 /nfs/dbraw/zinc/53/05/87/1072530587.db2.gz DBYILZDUTNPVLQ-KBPBESRZSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000423519245 1072530658 /nfs/dbraw/zinc/53/06/58/1072530658.db2.gz DBYILZDUTNPVLQ-KGLIPLIRSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000423519247 1072530812 /nfs/dbraw/zinc/53/08/12/1072530812.db2.gz DBYILZDUTNPVLQ-UONOGXRCSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000423519250 1072530571 /nfs/dbraw/zinc/53/05/71/1072530571.db2.gz DBYILZDUTNPVLQ-ZIAGYGMSSA-N 1 0 386.460 -0.628 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423519568 1072531331 /nfs/dbraw/zinc/53/13/31/1072531331.db2.gz QATGRJQCGKYKGY-AWEZNQCLSA-N 1 0 389.522 -0.943 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423519569 1072531287 /nfs/dbraw/zinc/53/12/87/1072531287.db2.gz QATGRJQCGKYKGY-CQSZACIVSA-N 1 0 389.522 -0.943 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1c1nccn2cnnc12 ZINC000423521944 1072531345 /nfs/dbraw/zinc/53/13/45/1072531345.db2.gz GPTTWOOLUMAKBY-CYBMUJFWSA-N 1 0 388.476 -0.395 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1c1nccn2cnnc12 ZINC000423521945 1072531398 /nfs/dbraw/zinc/53/13/98/1072531398.db2.gz GPTTWOOLUMAKBY-ZDUSSCGKSA-N 1 0 388.476 -0.395 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1CCOC ZINC000423522812 1072531080 /nfs/dbraw/zinc/53/10/80/1072531080.db2.gz HQAGVODDLNKEAM-MSOLQXFVSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1CCOC ZINC000423522813 1072531138 /nfs/dbraw/zinc/53/11/38/1072531138.db2.gz HQAGVODDLNKEAM-QZTJIDSGSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1CCOC ZINC000423522814 1072531256 /nfs/dbraw/zinc/53/12/56/1072531256.db2.gz HQAGVODDLNKEAM-ROUUACIJSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1CCOC ZINC000423522815 1072531051 /nfs/dbraw/zinc/53/10/51/1072531051.db2.gz HQAGVODDLNKEAM-ZWKOTPCHSA-N 1 0 395.548 -0.548 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423523984 1072531370 /nfs/dbraw/zinc/53/13/70/1072531370.db2.gz WPKIVKLSBMTRDM-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423523985 1072530950 /nfs/dbraw/zinc/53/09/50/1072530950.db2.gz WPKIVKLSBMTRDM-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO 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C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000423528357 1072530269 /nfs/dbraw/zinc/53/02/69/1072530269.db2.gz NVPYRTQRLBMQNT-KFWWJZLASA-N 1 0 398.471 -0.486 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000423528360 1072529848 /nfs/dbraw/zinc/52/98/48/1072529848.db2.gz NVPYRTQRLBMQNT-SOUVJXGZSA-N 1 0 398.471 -0.486 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000423528499 1073011790 /nfs/dbraw/zinc/01/17/90/1073011790.db2.gz NJUFKAVRHYTFEZ-INIZCTEOSA-N 1 0 392.456 -0.055 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000423528507 1073011664 /nfs/dbraw/zinc/01/16/64/1073011664.db2.gz NJUFKAVRHYTFEZ-MRXNPFEDSA-N 1 0 392.456 -0.055 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCO1 ZINC000423528651 1072530208 /nfs/dbraw/zinc/53/02/08/1072530208.db2.gz ULBIJZQVNAQHQV-OWCLPIDISA-N 1 0 392.431 -0.558 20 0 GBADRO 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CC(C)(O)CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000423531253 1072529580 /nfs/dbraw/zinc/52/95/80/1072529580.db2.gz XYZKHHXRBCOJMX-AWEZNQCLSA-N 1 0 380.489 -0.581 20 0 GBADRO CC(C)(O)CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000423531254 1072530306 /nfs/dbraw/zinc/53/03/06/1072530306.db2.gz XYZKHHXRBCOJMX-CQSZACIVSA-N 1 0 380.489 -0.581 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1CCOC ZINC000423532593 1072529631 /nfs/dbraw/zinc/52/96/31/1072529631.db2.gz VKRQAMSZINSDCV-MSOLQXFVSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1CCOC ZINC000423532594 1072529885 /nfs/dbraw/zinc/52/98/85/1072529885.db2.gz VKRQAMSZINSDCV-QZTJIDSGSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1CCOC ZINC000423532595 1072529405 /nfs/dbraw/zinc/52/94/05/1072529405.db2.gz VKRQAMSZINSDCV-ROUUACIJSA-N 1 0 395.548 -0.548 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1CCOC ZINC000423532596 1072530128 /nfs/dbraw/zinc/53/01/28/1072530128.db2.gz VKRQAMSZINSDCV-ZWKOTPCHSA-N 1 0 395.548 -0.548 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423533207 1072530048 /nfs/dbraw/zinc/53/00/48/1072530048.db2.gz SPEGNTNBNSTDSJ-HNNXBMFYSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423533214 1072529917 /nfs/dbraw/zinc/52/99/17/1072529917.db2.gz SPEGNTNBNSTDSJ-OAHLLOKOSA-N 1 0 388.534 -0.093 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423533472 1072529873 /nfs/dbraw/zinc/52/98/73/1072529873.db2.gz UAJIEBVMIUTOJF-HIFRSBDPSA-N 1 0 386.518 -0.211 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423533473 1072529766 /nfs/dbraw/zinc/52/97/66/1072529766.db2.gz UAJIEBVMIUTOJF-UKRRQHHQSA-N 1 0 386.518 -0.211 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423534108 1072529734 /nfs/dbraw/zinc/52/97/34/1072529734.db2.gz VELWFKIAAWNLHF-GQIGUUNPSA-N 1 0 393.532 -0.415 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423534109 1072529792 /nfs/dbraw/zinc/52/97/92/1072529792.db2.gz VELWFKIAAWNLHF-JXXFODFXSA-N 1 0 393.532 -0.415 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000423534585 1072529716 /nfs/dbraw/zinc/52/97/16/1072529716.db2.gz AJBBPEUQTYDGNW-UHFFFAOYSA-N 1 0 380.489 -0.314 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@@H](C)C1 ZINC000423534606 1072529602 /nfs/dbraw/zinc/52/96/02/1072529602.db2.gz ALIUOMFBNPTMAM-HNNXBMFYSA-N 1 0 398.504 -0.561 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[C@H](C)C1 ZINC000423534607 1072530279 /nfs/dbraw/zinc/53/02/79/1072530279.db2.gz ALIUOMFBNPTMAM-OAHLLOKOSA-N 1 0 398.504 -0.561 20 0 GBADRO 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COC(=O)CCN1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423543271 1072535048 /nfs/dbraw/zinc/53/50/48/1072535048.db2.gz UUQXIKNKZGNEKA-RDJZCZTQSA-N 1 0 394.516 -0.070 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423543273 1072535111 /nfs/dbraw/zinc/53/51/11/1072535111.db2.gz UUQXIKNKZGNEKA-WBVHZDCISA-N 1 0 394.516 -0.070 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 ZINC000423543754 1072534612 /nfs/dbraw/zinc/53/46/12/1072534612.db2.gz VUDVHLNHVISERZ-HNNXBMFYSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 ZINC000423543755 1072534749 /nfs/dbraw/zinc/53/47/49/1072534749.db2.gz VUDVHLNHVISERZ-OAHLLOKOSA-N 1 0 382.505 -0.070 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423544120 1072535220 /nfs/dbraw/zinc/53/52/20/1072535220.db2.gz VVMUYUCJRLITJM-HRCADAONSA-N 1 0 394.497 -0.520 20 0 GBADRO 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COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)ncn1 ZINC000423546128 1072534600 /nfs/dbraw/zinc/53/46/00/1072534600.db2.gz KEVCEJMYAVSOIO-KGLIPLIRSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)ncn1 ZINC000423546131 1072534583 /nfs/dbraw/zinc/53/45/83/1072534583.db2.gz KEVCEJMYAVSOIO-UONOGXRCSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)ncn1 ZINC000423546134 1072535201 /nfs/dbraw/zinc/53/52/01/1072535201.db2.gz KEVCEJMYAVSOIO-ZIAGYGMSSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)ncn1 ZINC000423546164 1072534646 /nfs/dbraw/zinc/53/46/46/1072534646.db2.gz KHMPEFRGBHWYTJ-KKUMJFAQSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)ncn1 ZINC000423546172 1072534843 /nfs/dbraw/zinc/53/48/43/1072534843.db2.gz KHMPEFRGBHWYTJ-RRFJBIMHSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)ncn1 ZINC000423546174 1072534690 /nfs/dbraw/zinc/53/46/90/1072534690.db2.gz KHMPEFRGBHWYTJ-SOUVJXGZSA-N 1 0 388.472 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)ncn1 ZINC000423546177 1072535088 /nfs/dbraw/zinc/53/50/88/1072535088.db2.gz KHMPEFRGBHWYTJ-ZNMIVQPWSA-N 1 0 388.472 -0.280 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000423546711 1073012408 /nfs/dbraw/zinc/01/24/08/1073012408.db2.gz FRMCSJDWRRJERI-UHFFFAOYSA-N 1 0 376.457 -0.066 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000423546868 1072534975 /nfs/dbraw/zinc/53/49/75/1072534975.db2.gz ZOLLCVGJQGDRDY-HNNXBMFYSA-N 1 0 380.489 -0.329 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000423546870 1072534530 /nfs/dbraw/zinc/53/45/30/1072534530.db2.gz ZOLLCVGJQGDRDY-OAHLLOKOSA-N 1 0 380.489 -0.329 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000423546936 1072534572 /nfs/dbraw/zinc/53/45/72/1072534572.db2.gz ASAYBJJPJIRENT-GOEBONIOSA-N 1 0 392.431 -0.604 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000423547358 1072535097 /nfs/dbraw/zinc/53/50/97/1072535097.db2.gz LLDURZZDEXWZOO-UHFFFAOYSA-N 1 0 376.461 -0.408 20 0 GBADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000423547801 1072535072 /nfs/dbraw/zinc/53/50/72/1072535072.db2.gz CRURSOPHESLIEO-HNNXBMFYSA-N 1 0 392.431 -0.014 20 0 GBADRO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000423547802 1072534723 /nfs/dbraw/zinc/53/47/23/1072534723.db2.gz CRURSOPHESLIEO-OAHLLOKOSA-N 1 0 392.431 -0.014 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000423548241 1072535673 /nfs/dbraw/zinc/53/56/73/1072535673.db2.gz MFBNQKMTQPXVOQ-UHFFFAOYSA-N 1 0 390.488 -0.018 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)ncn1 ZINC000423548837 1072535622 /nfs/dbraw/zinc/53/56/22/1072535622.db2.gz MYLQHLAFJWDLJC-OKILXGFUSA-N 1 0 388.472 -0.044 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000423549514 1072535495 /nfs/dbraw/zinc/53/54/95/1072535495.db2.gz AAMSMPHWSDJTCL-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000423549517 1072535629 /nfs/dbraw/zinc/53/56/29/1072535629.db2.gz AAMSMPHWSDJTCL-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423549816 1072535614 /nfs/dbraw/zinc/53/56/14/1072535614.db2.gz FJWIASIGEYEARW-CKEIUWERSA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423550284 1072535554 /nfs/dbraw/zinc/53/55/54/1072535554.db2.gz FJWIASIGEYEARW-JKIFEVAISA-N 1 0 386.518 -0.544 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)ncn1 ZINC000423550664 1072535525 /nfs/dbraw/zinc/53/55/25/1072535525.db2.gz OFHBHWHGIUNOJT-CYBMUJFWSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)ncn1 ZINC000423550667 1072535640 /nfs/dbraw/zinc/53/56/40/1072535640.db2.gz OFHBHWHGIUNOJT-ZDUSSCGKSA-N 1 0 376.461 -0.280 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423551298 1072535590 /nfs/dbraw/zinc/53/55/90/1072535590.db2.gz GANOFIDWDOXIEM-CABCVRRESA-N 1 0 388.534 -0.155 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423551300 1072535717 /nfs/dbraw/zinc/53/57/17/1072535717.db2.gz GANOFIDWDOXIEM-GJZGRUSLSA-N 1 0 388.534 -0.155 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423551302 1072535744 /nfs/dbraw/zinc/53/57/44/1072535744.db2.gz GANOFIDWDOXIEM-HUUCEWRRSA-N 1 0 388.534 -0.155 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423551304 1072535534 /nfs/dbraw/zinc/53/55/34/1072535534.db2.gz GANOFIDWDOXIEM-LSDHHAIUSA-N 1 0 388.534 -0.155 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@H](C)[C@@H](C)O1 ZINC000423552108 1072536350 /nfs/dbraw/zinc/53/63/50/1072536350.db2.gz CJSZYTZKIDIAFT-FPCVCCKLSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H](C)[C@@H](C)O1 ZINC000423552112 1072536065 /nfs/dbraw/zinc/53/60/65/1072536065.db2.gz CJSZYTZKIDIAFT-QXSJWSMHSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H](C)[C@H](C)O1 ZINC000423552114 1072536296 /nfs/dbraw/zinc/53/62/96/1072536296.db2.gz CJSZYTZKIDIAFT-UGUYLWEFSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@H](C)[C@H](C)O1 ZINC000423552116 1072536271 /nfs/dbraw/zinc/53/62/71/1072536271.db2.gz CJSZYTZKIDIAFT-WCVJEAGWSA-N 1 0 380.489 -0.319 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1=O ZINC000423552179 1072535998 /nfs/dbraw/zinc/53/59/98/1072535998.db2.gz HEERREUGUJQXRM-SJORKVTESA-N 1 0 388.468 -0.496 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)CC2)ncn1 ZINC000423552247 1072536143 /nfs/dbraw/zinc/53/61/43/1072536143.db2.gz PIIBLQYWGQUVSQ-IBGZPJMESA-N 1 0 388.472 -0.264 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)CC2)ncn1 ZINC000423552248 1072536253 /nfs/dbraw/zinc/53/62/53/1072536253.db2.gz PIIBLQYWGQUVSQ-LJQANCHMSA-N 1 0 388.472 -0.264 20 0 GBADRO COc1cc(CC2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000423552334 1072536221 /nfs/dbraw/zinc/53/62/21/1072536221.db2.gz JQZMDGWPWJWIET-KRWDZBQOSA-N 1 0 377.441 -0.109 20 0 GBADRO COc1cc(CC2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000423552345 1072536260 /nfs/dbraw/zinc/53/62/60/1072536260.db2.gz JQZMDGWPWJWIET-QGZVFWFLSA-N 1 0 377.441 -0.109 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423552702 1072535482 /nfs/dbraw/zinc/53/54/82/1072535482.db2.gz HGXXPOUHZLTXIR-QLFBSQMISA-N 1 0 384.502 -0.634 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423552703 1072535643 /nfs/dbraw/zinc/53/56/43/1072535643.db2.gz HGXXPOUHZLTXIR-ZNMIVQPWSA-N 1 0 384.502 -0.634 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)ncn1 ZINC000423552801 1072535705 /nfs/dbraw/zinc/53/57/05/1072535705.db2.gz PYBDWRLQXHOHSV-UHFFFAOYSA-N 1 0 388.472 -0.264 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)ncn1 ZINC000423552823 1072535543 /nfs/dbraw/zinc/53/55/43/1072535543.db2.gz QBLPYLVLTVUHFL-FZKQIMNGSA-N 1 0 376.461 -0.423 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)ncn1 ZINC000423552832 1072535709 /nfs/dbraw/zinc/53/57/09/1072535709.db2.gz QCNGINUXSWXLKN-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)ncn1 ZINC000423552835 1072536098 /nfs/dbraw/zinc/53/60/98/1072536098.db2.gz QCNGINUXSWXLKN-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)ncn1 ZINC000423552837 1072535737 /nfs/dbraw/zinc/53/57/37/1072535737.db2.gz QCNGINUXSWXLKN-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)ncn1 ZINC000423552839 1072535473 /nfs/dbraw/zinc/53/54/73/1072535473.db2.gz QCNGINUXSWXLKN-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)ncn1 ZINC000423553896 1072536160 /nfs/dbraw/zinc/53/61/60/1072536160.db2.gz QXSPRDGHMAOIMZ-AWEZNQCLSA-N 1 0 378.477 -0.034 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)ncn1 ZINC000423553897 1072536028 /nfs/dbraw/zinc/53/60/28/1072536028.db2.gz QXSPRDGHMAOIMZ-CQSZACIVSA-N 1 0 378.477 -0.034 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423554715 1072536108 /nfs/dbraw/zinc/53/61/08/1072536108.db2.gz ITNQPSLWLZHVIW-UHFFFAOYSA-N 1 0 388.468 -0.215 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423554810 1072535981 /nfs/dbraw/zinc/53/59/81/1072535981.db2.gz AIPBHOJLCDMYCV-HRCADAONSA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423554813 1072536011 /nfs/dbraw/zinc/53/60/11/1072536011.db2.gz AIPBHOJLCDMYCV-JYJNAYRXSA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423554815 1072536406 /nfs/dbraw/zinc/53/64/06/1072536406.db2.gz AIPBHOJLCDMYCV-OWCLPIDISA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423554817 1072536090 /nfs/dbraw/zinc/53/60/90/1072536090.db2.gz AIPBHOJLCDMYCV-PMPSAXMXSA-N 1 0 396.488 -0.938 20 0 GBADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423554827 1072536042 /nfs/dbraw/zinc/53/60/42/1072536042.db2.gz AJTUSEFEIVNVAB-CYBMUJFWSA-N 1 0 386.518 -0.353 20 0 GBADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423554828 1072536133 /nfs/dbraw/zinc/53/61/33/1072536133.db2.gz AJTUSEFEIVNVAB-ZDUSSCGKSA-N 1 0 386.518 -0.353 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000423555197 1072536151 /nfs/dbraw/zinc/53/61/51/1072536151.db2.gz KAONSSKGKYWTEP-INIZCTEOSA-N 1 0 380.489 -0.460 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000423555199 1072536316 /nfs/dbraw/zinc/53/63/16/1072536316.db2.gz KAONSSKGKYWTEP-MRXNPFEDSA-N 1 0 380.489 -0.460 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000423555664 1072536338 /nfs/dbraw/zinc/53/63/38/1072536338.db2.gz KFLRWNLFVWPCMI-DOTOQJQBSA-N 1 0 396.488 -0.952 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000423555665 1072536419 /nfs/dbraw/zinc/53/64/19/1072536419.db2.gz KFLRWNLFVWPCMI-NVXWUHKLSA-N 1 0 396.488 -0.952 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000423555666 1072536395 /nfs/dbraw/zinc/53/63/95/1072536395.db2.gz KFLRWNLFVWPCMI-RDJZCZTQSA-N 1 0 396.488 -0.952 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000423555667 1072536053 /nfs/dbraw/zinc/53/60/53/1072536053.db2.gz KFLRWNLFVWPCMI-WBVHZDCISA-N 1 0 396.488 -0.952 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)Nc1ccc(Cl)cc1 ZINC000423555777 1072536232 /nfs/dbraw/zinc/53/62/32/1072536232.db2.gz GLYBIWRRSVQBIF-UHFFFAOYSA-N 1 0 393.875 -0.146 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC[NH2+]1 ZINC000423556453 1072536369 /nfs/dbraw/zinc/53/63/69/1072536369.db2.gz KYAOQMVUDUSDMK-CYBMUJFWSA-N 1 0 380.470 -0.385 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)CC[NH2+]1 ZINC000423556454 1072536427 /nfs/dbraw/zinc/53/64/27/1072536427.db2.gz KYAOQMVUDUSDMK-ZDUSSCGKSA-N 1 0 380.470 -0.385 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000423556689 1072536327 /nfs/dbraw/zinc/53/63/27/1072536327.db2.gz BVISZDCEDPJRTC-UHFFFAOYSA-N 1 0 392.481 -0.461 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423557161 1072531965 /nfs/dbraw/zinc/53/19/65/1072531965.db2.gz CDLPXNZIDXEIOO-LSDHHAIUSA-N 1 0 378.404 -0.948 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000423557376 1072531306 /nfs/dbraw/zinc/53/13/06/1072531306.db2.gz KNSGQLGYYMBVNQ-UHFFFAOYSA-N 1 0 398.485 -0.665 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000423557792 1072530675 /nfs/dbraw/zinc/53/06/75/1072530675.db2.gz CQCVBDDDRZXCJB-HNNXBMFYSA-N 1 0 394.497 -0.213 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000423557793 1072531391 /nfs/dbraw/zinc/53/13/91/1072531391.db2.gz CQCVBDDDRZXCJB-OAHLLOKOSA-N 1 0 394.497 -0.213 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)C[C@@H]21 ZINC000423558157 1072532052 /nfs/dbraw/zinc/53/20/52/1072532052.db2.gz KTXKVSUZTXOMKH-FXUDXRNXSA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)C[C@H]21 ZINC000423558158 1072531999 /nfs/dbraw/zinc/53/19/99/1072531999.db2.gz KTXKVSUZTXOMKH-KLHDSHLOSA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)C[C@@H]21 ZINC000423558159 1072531858 /nfs/dbraw/zinc/53/18/58/1072531858.db2.gz KTXKVSUZTXOMKH-LVQVYYBASA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)C[C@H]21 ZINC000423558160 1072532007 /nfs/dbraw/zinc/53/20/07/1072532007.db2.gz KTXKVSUZTXOMKH-QKPAOTATSA-N 1 0 398.529 -0.401 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000423558381 1072531960 /nfs/dbraw/zinc/53/19/60/1072531960.db2.gz CYKIQSHTSWTPBO-GRYCIOLGSA-N 1 0 378.395 -0.043 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000423558383 1072531980 /nfs/dbraw/zinc/53/19/80/1072531980.db2.gz CYKIQSHTSWTPBO-IJLUTSLNSA-N 1 0 378.395 -0.043 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@@H]1C[NH3+] ZINC000423558385 1072532137 /nfs/dbraw/zinc/53/21/37/1072532137.db2.gz CYKIQSHTSWTPBO-UTUOFQBUSA-N 1 0 378.395 -0.043 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@@H]1C[NH3+] ZINC000423558386 1072531943 /nfs/dbraw/zinc/53/19/43/1072531943.db2.gz CYKIQSHTSWTPBO-WOPDTQHZSA-N 1 0 378.395 -0.043 20 0 GBADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423558442 1072532003 /nfs/dbraw/zinc/53/20/03/1072532003.db2.gz IZEBQWDMLUADIC-AWEZNQCLSA-N 1 0 391.447 -0.142 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423558443 1072531841 /nfs/dbraw/zinc/53/18/41/1072531841.db2.gz IZEBQWDMLUADIC-CQSZACIVSA-N 1 0 391.447 -0.142 20 0 GBADRO O=C(C(=O)N1CC(=O)N(Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423558591 1072531649 /nfs/dbraw/zinc/53/16/49/1072531649.db2.gz JHGZNEAEDFJAJI-KRWDZBQOSA-N 1 0 385.468 -0.679 20 0 GBADRO O=C(C(=O)N1CC(=O)N(Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423558606 1072532262 /nfs/dbraw/zinc/53/22/62/1072532262.db2.gz JHGZNEAEDFJAJI-QGZVFWFLSA-N 1 0 385.468 -0.679 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423558842 1072532125 /nfs/dbraw/zinc/53/21/25/1072532125.db2.gz LLUKOTNDPMJLMC-INIZCTEOSA-N 1 0 388.468 -0.087 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423558848 1072532040 /nfs/dbraw/zinc/53/20/40/1072532040.db2.gz LLUKOTNDPMJLMC-MRXNPFEDSA-N 1 0 388.468 -0.087 20 0 GBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423559117 1072531675 /nfs/dbraw/zinc/53/16/75/1072531675.db2.gz TVEJUBNHFOOYLR-DZGCQCFKSA-N 1 0 379.436 -0.192 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423559399 1072532204 /nfs/dbraw/zinc/53/22/04/1072532204.db2.gz DSMSAADQEYZLAL-GOSISDBHSA-N 1 0 398.529 -0.339 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423559400 1072532170 /nfs/dbraw/zinc/53/21/70/1072532170.db2.gz DSMSAADQEYZLAL-SFHVURJKSA-N 1 0 398.529 -0.339 20 0 GBADRO COC[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423559553 1072531985 /nfs/dbraw/zinc/53/19/85/1072531985.db2.gz FACYEMLIUZAWFV-DLBZAZTESA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423559555 1072531715 /nfs/dbraw/zinc/53/17/15/1072531715.db2.gz FACYEMLIUZAWFV-IAGOWNOFSA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423559557 1072532095 /nfs/dbraw/zinc/53/20/95/1072532095.db2.gz FACYEMLIUZAWFV-IRXDYDNUSA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423559560 1072531777 /nfs/dbraw/zinc/53/17/77/1072531777.db2.gz FACYEMLIUZAWFV-SJORKVTESA-N 1 0 394.516 -0.068 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000423559713 1072532083 /nfs/dbraw/zinc/53/20/83/1072532083.db2.gz UFLKGZJXKLVSEI-CQSZACIVSA-N 1 0 376.461 -0.136 20 0 GBADRO CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423559878 1072531947 /nfs/dbraw/zinc/53/19/47/1072531947.db2.gz FGSHENNOKRPYSV-JXFKEZNVSA-N 1 0 394.516 -0.190 20 0 GBADRO CCC[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423559882 1072532110 /nfs/dbraw/zinc/53/21/10/1072532110.db2.gz FGSHENNOKRPYSV-OXJNMPFZSA-N 1 0 394.516 -0.190 20 0 GBADRO CCC[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423559883 1072532059 /nfs/dbraw/zinc/53/20/59/1072532059.db2.gz FGSHENNOKRPYSV-OXQOHEQNSA-N 1 0 394.516 -0.190 20 0 GBADRO CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423559884 1072532070 /nfs/dbraw/zinc/53/20/70/1072532070.db2.gz FGSHENNOKRPYSV-UZLBHIALSA-N 1 0 394.516 -0.190 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000423559961 1072531916 /nfs/dbraw/zinc/53/19/16/1072531916.db2.gz KMYWIZAFHXBSAT-KRWDZBQOSA-N 1 0 385.468 -0.679 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000423559964 1072531693 /nfs/dbraw/zinc/53/16/93/1072531693.db2.gz KMYWIZAFHXBSAT-QGZVFWFLSA-N 1 0 385.468 -0.679 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)Cc2ccccc21 ZINC000423560126 1072533040 /nfs/dbraw/zinc/53/30/40/1072533040.db2.gz OAFRWVWBLDYYSL-CQSZACIVSA-N 1 0 380.470 -0.256 20 0 GBADRO O=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423560174 1072532020 /nfs/dbraw/zinc/53/20/20/1072532020.db2.gz KWXGKGVPEPQXGP-HCXYKTFWSA-N 1 0 384.480 -0.224 20 0 GBADRO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H]1O ZINC000423560338 1072532221 /nfs/dbraw/zinc/53/22/21/1072532221.db2.gz OPIACJNDPSLWDN-KFWWJZLASA-N 1 0 382.505 -0.445 20 0 GBADRO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H]1O ZINC000423560686 1072533130 /nfs/dbraw/zinc/53/31/30/1072533130.db2.gz OPIACJNDPSLWDN-RBSFLKMASA-N 1 0 382.505 -0.445 20 0 GBADRO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H]1O ZINC000423560687 1072532882 /nfs/dbraw/zinc/53/28/82/1072532882.db2.gz OPIACJNDPSLWDN-RRFJBIMHSA-N 1 0 382.505 -0.445 20 0 GBADRO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H]1O ZINC000423560688 1072532870 /nfs/dbraw/zinc/53/28/70/1072532870.db2.gz OPIACJNDPSLWDN-ZNMIVQPWSA-N 1 0 382.505 -0.445 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000423561161 1072533107 /nfs/dbraw/zinc/53/31/07/1072533107.db2.gz GAJIFUUORDSPDC-UHFFFAOYSA-N 1 0 394.497 -0.342 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000423561512 1072532707 /nfs/dbraw/zinc/53/27/07/1072532707.db2.gz PSXYMZZCIGBMLV-GOSISDBHSA-N 1 0 394.497 -0.008 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000423561519 1072532579 /nfs/dbraw/zinc/53/25/79/1072532579.db2.gz PSXYMZZCIGBMLV-SFHVURJKSA-N 1 0 394.497 -0.008 20 0 GBADRO O=C(C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)N1CC[NH2+]CC1 ZINC000423561677 530356500 /nfs/dbraw/zinc/35/65/00/530356500.db2.gz GJUQTPSZARPGNZ-UHFFFAOYSA-N 1 0 378.380 -0.363 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)ncn1 ZINC000423561718 1072532989 /nfs/dbraw/zinc/53/29/89/1072532989.db2.gz VXLQFSHBFKQRIJ-UHFFFAOYSA-N 1 0 388.472 -0.264 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC2)n1 ZINC000423561874 1072532660 /nfs/dbraw/zinc/53/26/60/1072532660.db2.gz WEICTZJDPUFFMH-UHFFFAOYSA-N 1 0 378.477 -0.018 20 0 GBADRO CCOc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000423562207 1072532608 /nfs/dbraw/zinc/53/26/08/1072532608.db2.gz NWCVOXOTXUDGNQ-UHFFFAOYSA-N 1 0 391.472 -0.415 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C[C@H]1[NH3+] ZINC000423562279 1072532736 /nfs/dbraw/zinc/53/27/36/1072532736.db2.gz MVUKUSBQUXYYFV-DZGCQCFKSA-N 1 0 391.447 -0.286 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C[C@@H]1[NH3+] ZINC000423562281 1072533066 /nfs/dbraw/zinc/53/30/66/1072533066.db2.gz MVUKUSBQUXYYFV-HIFRSBDPSA-N 1 0 391.447 -0.286 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C[C@H]1[NH3+] ZINC000423562283 1072532934 /nfs/dbraw/zinc/53/29/34/1072532934.db2.gz MVUKUSBQUXYYFV-UKRRQHHQSA-N 1 0 391.447 -0.286 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C[C@@H]1[NH3+] ZINC000423562285 1072532722 /nfs/dbraw/zinc/53/27/22/1072532722.db2.gz MVUKUSBQUXYYFV-ZFWWWQNUSA-N 1 0 391.447 -0.286 20 0 GBADRO C[NH2+]CCN(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000423562376 1073012367 /nfs/dbraw/zinc/01/23/67/1073012367.db2.gz GXKLOYRECAUEMI-UHFFFAOYSA-N 1 0 380.470 -0.733 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)nn1 ZINC000423562401 1072533228 /nfs/dbraw/zinc/53/32/28/1072533228.db2.gz HBAKNLKNUCXKPM-FRRDWIJNSA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)C2)nn1 ZINC000423562402 1072532766 /nfs/dbraw/zinc/53/27/66/1072532766.db2.gz HBAKNLKNUCXKPM-JHJVBQTASA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)C2)nn1 ZINC000423562403 1072533117 /nfs/dbraw/zinc/53/31/17/1072533117.db2.gz HBAKNLKNUCXKPM-RWMBFGLXSA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)nn1 ZINC000423562404 1072533200 /nfs/dbraw/zinc/53/32/00/1072533200.db2.gz HBAKNLKNUCXKPM-XQQFMLRXSA-N 1 0 378.433 -0.563 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000423562494 1072532895 /nfs/dbraw/zinc/53/28/95/1072532895.db2.gz WIIYVGVHRKPQJX-AWEZNQCLSA-N 1 0 376.461 -0.408 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000423562495 1072532592 /nfs/dbraw/zinc/53/25/92/1072532592.db2.gz WIIYVGVHRKPQJX-CQSZACIVSA-N 1 0 376.461 -0.408 20 0 GBADRO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000423562694 1072533053 /nfs/dbraw/zinc/53/30/53/1072533053.db2.gz OGCHCNYDSMZGTA-UHFFFAOYSA-N 1 0 376.457 -0.230 20 0 GBADRO O=C(C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423562960 1072533136 /nfs/dbraw/zinc/53/31/36/1072533136.db2.gz HKXXRPHHPMEXQZ-CHWSQXEVSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423562962 1072532634 /nfs/dbraw/zinc/53/26/34/1072532634.db2.gz HKXXRPHHPMEXQZ-OLZOCXBDSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423562965 1072533030 /nfs/dbraw/zinc/53/30/30/1072533030.db2.gz HKXXRPHHPMEXQZ-QWHCGFSZSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423562968 1072532905 /nfs/dbraw/zinc/53/29/05/1072532905.db2.gz HKXXRPHHPMEXQZ-STQMWFEESA-N 1 0 384.502 -0.873 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423563071 1072536972 /nfs/dbraw/zinc/53/69/72/1072536972.db2.gz NPZVJOOTSFGHEZ-UHFFFAOYSA-N 1 0 393.463 -0.024 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)ncn1 ZINC000423563310 1072536819 /nfs/dbraw/zinc/53/68/19/1072536819.db2.gz XEHXCXOSXTVTEL-AWEZNQCLSA-N 1 0 392.460 -0.536 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)ncn1 ZINC000423563311 1072536648 /nfs/dbraw/zinc/53/66/48/1072536648.db2.gz XEHXCXOSXTVTEL-CQSZACIVSA-N 1 0 392.460 -0.536 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000423563381 1072534677 /nfs/dbraw/zinc/53/46/77/1072534677.db2.gz HUXFZVVPZVFPAP-CVEARBPZSA-N 1 0 392.431 -0.558 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423563419 1072535583 /nfs/dbraw/zinc/53/55/83/1072535583.db2.gz HWDPRVKZGQEDPF-SJKOYZFVSA-N 1 0 386.518 -0.498 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CCN2C1=O ZINC000423563756 1072533594 /nfs/dbraw/zinc/53/35/94/1072533594.db2.gz ACTGZPDXCNGWNY-HRCADAONSA-N 1 0 377.489 -0.199 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CCN2C1=O ZINC000423563757 1072534012 /nfs/dbraw/zinc/53/40/12/1072534012.db2.gz ACTGZPDXCNGWNY-JYJNAYRXSA-N 1 0 377.489 -0.199 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CCN2C1=O ZINC000423563758 1072534084 /nfs/dbraw/zinc/53/40/84/1072534084.db2.gz ACTGZPDXCNGWNY-OWCLPIDISA-N 1 0 377.489 -0.199 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CCN2C1=O ZINC000423563759 1072534218 /nfs/dbraw/zinc/53/42/18/1072534218.db2.gz ACTGZPDXCNGWNY-PMPSAXMXSA-N 1 0 377.489 -0.199 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C[C@H]1COCC2 ZINC000423563785 1073523374 /nfs/dbraw/zinc/52/33/74/1073523374.db2.gz AGXVCMOHNGAXII-IFXJQAMLSA-N 1 0 379.457 -0.373 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)n1 ZINC000423563902 1072532945 /nfs/dbraw/zinc/53/29/45/1072532945.db2.gz ALMJYRPQSRECHI-UHFFFAOYSA-N 1 0 392.460 -0.102 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)C[C@@H]1C[NH3+] ZINC000423564573 1072537090 /nfs/dbraw/zinc/53/70/90/1072537090.db2.gz ASAIQRVTNXOEGX-KBPBESRZSA-N 1 0 386.460 -0.784 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)C[C@@H]1C[NH3+] ZINC000423564574 1072537048 /nfs/dbraw/zinc/53/70/48/1072537048.db2.gz ASAIQRVTNXOEGX-KGLIPLIRSA-N 1 0 386.460 -0.784 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)C[C@H]1C[NH3+] ZINC000423564575 1072536967 /nfs/dbraw/zinc/53/69/67/1072536967.db2.gz ASAIQRVTNXOEGX-UONOGXRCSA-N 1 0 386.460 -0.784 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)C[C@H]1C[NH3+] ZINC000423564576 1072536908 /nfs/dbraw/zinc/53/69/08/1072536908.db2.gz ASAIQRVTNXOEGX-ZIAGYGMSSA-N 1 0 386.460 -0.784 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423564581 1072536764 /nfs/dbraw/zinc/53/67/64/1072536764.db2.gz ASHKVVBNULOQGB-DZKIICNBSA-N 1 0 380.468 -0.259 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423564582 1072536853 /nfs/dbraw/zinc/53/68/53/1072536853.db2.gz ASHKVVBNULOQGB-LZWOXQAQSA-N 1 0 380.468 -0.259 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423565303 1072536700 /nfs/dbraw/zinc/53/67/00/1072536700.db2.gz BBRBHMMUDXVVIN-HNNXBMFYSA-N 1 0 379.505 -0.648 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423565304 1072536902 /nfs/dbraw/zinc/53/69/02/1072536902.db2.gz BBRBHMMUDXVVIN-OAHLLOKOSA-N 1 0 379.505 -0.648 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423565313 1072536830 /nfs/dbraw/zinc/53/68/30/1072536830.db2.gz PODHUYFJPCQWPU-CYBMUJFWSA-N 1 0 377.420 -0.532 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423565317 1072536883 /nfs/dbraw/zinc/53/68/83/1072536883.db2.gz PODHUYFJPCQWPU-ZDUSSCGKSA-N 1 0 377.420 -0.532 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000423565493 1072537008 /nfs/dbraw/zinc/53/70/08/1072537008.db2.gz JDFDJBUOEXVXLU-HZSPNIEDSA-N 1 0 390.444 -0.419 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000423565506 1072536990 /nfs/dbraw/zinc/53/69/90/1072536990.db2.gz JDFDJBUOEXVXLU-MJBXVCDLSA-N 1 0 390.444 -0.419 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000423566151 1073523485 /nfs/dbraw/zinc/52/34/85/1073523485.db2.gz BYDZLMZQSUWBQQ-HNAYVOBHSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000423566279 1072537907 /nfs/dbraw/zinc/53/79/07/1072537907.db2.gz ZBKWUTNVJQPIBL-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000423566280 1072537696 /nfs/dbraw/zinc/53/76/96/1072537696.db2.gz ZBKWUTNVJQPIBL-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO CCOc1ccnc(N2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000423566395 1072537883 /nfs/dbraw/zinc/53/78/83/1072537883.db2.gz ZHCIQTDFLJYBMD-GASCZTMLSA-N 1 0 388.472 -0.408 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CCCO1 ZINC000423566717 1072537770 /nfs/dbraw/zinc/53/77/70/1072537770.db2.gz KELPEIDRTJTIDJ-HNNXBMFYSA-N 1 0 378.404 -0.423 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CCCO1 ZINC000423566718 1072537831 /nfs/dbraw/zinc/53/78/31/1072537831.db2.gz KELPEIDRTJTIDJ-OAHLLOKOSA-N 1 0 378.404 -0.423 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000423566744 1072537592 /nfs/dbraw/zinc/53/75/92/1072537592.db2.gz KFJCQBMOJPLBPW-DLBZAZTESA-N 1 0 383.489 -0.005 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000423566745 1072537781 /nfs/dbraw/zinc/53/77/81/1072537781.db2.gz KFJCQBMOJPLBPW-IAGOWNOFSA-N 1 0 383.489 -0.005 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000423566748 1072537630 /nfs/dbraw/zinc/53/76/30/1072537630.db2.gz KFJCQBMOJPLBPW-IRXDYDNUSA-N 1 0 383.489 -0.005 20 0 GBADRO CCOCCOC1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000423566749 1072537875 /nfs/dbraw/zinc/53/78/75/1072537875.db2.gz KFJCQBMOJPLBPW-SJORKVTESA-N 1 0 383.489 -0.005 20 0 GBADRO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423566951 1072536950 /nfs/dbraw/zinc/53/69/50/1072536950.db2.gz QIQNDGBAINIFNZ-QLFBSQMISA-N 1 0 377.420 -0.262 20 0 GBADRO NC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423566953 1072536924 /nfs/dbraw/zinc/53/69/24/1072536924.db2.gz QIQNDGBAINIFNZ-SOUVJXGZSA-N 1 0 377.420 -0.262 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423567312 1072537759 /nfs/dbraw/zinc/53/77/59/1072537759.db2.gz QXNUOZMJIJZZRU-ILXRZTDVSA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423567313 1072537835 /nfs/dbraw/zinc/53/78/35/1072537835.db2.gz QXNUOZMJIJZZRU-KFWWJZLASA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423567314 1072537545 /nfs/dbraw/zinc/53/75/45/1072537545.db2.gz QXNUOZMJIJZZRU-QLFBSQMISA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423567315 1072537866 /nfs/dbraw/zinc/53/78/66/1072537866.db2.gz QXNUOZMJIJZZRU-RBSFLKMASA-N 1 0 386.518 -0.544 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CCN2C1=O ZINC000423567441 1072537521 /nfs/dbraw/zinc/53/75/21/1072537521.db2.gz CWRHGQHNELNART-CABCVRRESA-N 1 0 381.477 -0.833 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CCN2C1=O ZINC000423567442 1072537752 /nfs/dbraw/zinc/53/77/52/1072537752.db2.gz CWRHGQHNELNART-GJZGRUSLSA-N 1 0 381.477 -0.833 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CCN2C1=O ZINC000423567443 1072537443 /nfs/dbraw/zinc/53/74/43/1072537443.db2.gz CWRHGQHNELNART-HUUCEWRRSA-N 1 0 381.477 -0.833 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CCN2C1=O ZINC000423567444 1072537986 /nfs/dbraw/zinc/53/79/86/1072537986.db2.gz CWRHGQHNELNART-LSDHHAIUSA-N 1 0 381.477 -0.833 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)n1 ZINC000423567465 1072537791 /nfs/dbraw/zinc/53/77/91/1072537791.db2.gz CXVWJWAHCYBIHX-RYUDHWBXSA-N 1 0 392.460 -0.104 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)n1 ZINC000423567467 1072537475 /nfs/dbraw/zinc/53/74/75/1072537475.db2.gz CXVWJWAHCYBIHX-TXEJJXNPSA-N 1 0 392.460 -0.104 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)n1 ZINC000423567468 1072537741 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382.486 -0.137 20 0 GBADRO C[C@@]1(CCCO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423568311 1072538732 /nfs/dbraw/zinc/53/87/32/1072538732.db2.gz XEWJQPNYQLVZRS-JXFKEZNVSA-N 1 0 394.516 -0.190 20 0 GBADRO C[C@]1(CCCO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423568312 1072537967 /nfs/dbraw/zinc/53/79/67/1072537967.db2.gz XEWJQPNYQLVZRS-OXJNMPFZSA-N 1 0 394.516 -0.190 20 0 GBADRO C[C@]1(CCCO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423568313 1072537947 /nfs/dbraw/zinc/53/79/47/1072537947.db2.gz XEWJQPNYQLVZRS-OXQOHEQNSA-N 1 0 394.516 -0.190 20 0 GBADRO C[C@@]1(CCCO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423568314 1072537493 /nfs/dbraw/zinc/53/74/93/1072537493.db2.gz XEWJQPNYQLVZRS-UZLBHIALSA-N 1 0 394.516 -0.190 20 0 GBADRO CNC(=O)NC1CN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000423568333 1072537429 /nfs/dbraw/zinc/53/74/29/1072537429.db2.gz RCPUZBQCDXIDBM-CABCVRRESA-N 1 0 377.420 -0.391 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423568414 1072537529 /nfs/dbraw/zinc/53/75/29/1072537529.db2.gz LINCOXKRZOPYEK-HNNXBMFYSA-N 1 0 388.534 -0.109 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423568422 1072537922 /nfs/dbraw/zinc/53/79/22/1072537922.db2.gz LINCOXKRZOPYEK-OAHLLOKOSA-N 1 0 388.534 -0.109 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@@H](C)[NH2+]1 ZINC000423568683 1072537856 /nfs/dbraw/zinc/53/78/56/1072537856.db2.gz FBCHFMVBJYFJSY-AIANPOQGSA-N 1 0 394.495 0.000 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@H](C)[NH2+]1 ZINC000423568684 1072537641 /nfs/dbraw/zinc/53/76/41/1072537641.db2.gz FBCHFMVBJYFJSY-IVSAIRAKSA-N 1 0 394.495 0.000 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@H](C)[NH2+]1 ZINC000423568685 1072537932 /nfs/dbraw/zinc/53/79/32/1072537932.db2.gz FBCHFMVBJYFJSY-JKQORVJESA-N 1 0 394.495 0.000 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C[C@H]1COCC2 ZINC000423569341 1073523430 /nfs/dbraw/zinc/52/34/30/1073523430.db2.gz FJNMMXGZWVDSFH-KSVNGYGVSA-N 1 0 393.484 -0.127 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C[C@H]1COCC2 ZINC000423569342 1073523558 /nfs/dbraw/zinc/52/35/58/1073523558.db2.gz FJNMMXGZWVDSFH-NARAOEGZSA-N 1 0 393.484 -0.127 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C[C@H]1COCC2 ZINC000423569343 1073523761 /nfs/dbraw/zinc/52/37/61/1073523761.db2.gz FJNMMXGZWVDSFH-ZKNHNOBHSA-N 1 0 393.484 -0.127 20 0 GBADRO Cc1nc2cncc(N3CCN(C(=O)C(=O)N4CC[NH2+]C(C)(C)C4)CC3)n2n1 ZINC000423569428 1072538879 /nfs/dbraw/zinc/53/88/79/1072538879.db2.gz FUQWSALAOTZCLB-UHFFFAOYSA-N 1 0 386.460 -0.708 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CCCO1 ZINC000423569456 1072538713 /nfs/dbraw/zinc/53/87/13/1072538713.db2.gz MNPZKRAHKGWHKO-INIZCTEOSA-N 1 0 384.440 -0.095 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)CCCO1 ZINC000423569457 1072538853 /nfs/dbraw/zinc/53/88/53/1072538853.db2.gz MNPZKRAHKGWHKO-MRXNPFEDSA-N 1 0 384.440 -0.095 20 0 GBADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423570140 1072538549 /nfs/dbraw/zinc/53/85/49/1072538549.db2.gz NGAIEJRLVHQWBR-CQSZACIVSA-N 1 0 392.481 -0.461 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000423571024 1072538723 /nfs/dbraw/zinc/53/87/23/1072538723.db2.gz VGXNMVILOIBBOT-AWEZNQCLSA-N 1 0 393.875 -0.018 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000423571025 1072538626 /nfs/dbraw/zinc/53/86/26/1072538626.db2.gz VGXNMVILOIBBOT-CQSZACIVSA-N 1 0 393.875 -0.018 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423571106 1072538892 /nfs/dbraw/zinc/53/88/92/1072538892.db2.gz NYTOMVAULABNLI-CYBMUJFWSA-N 1 0 386.518 -0.483 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423571107 1072538848 /nfs/dbraw/zinc/53/88/48/1072538848.db2.gz NYTOMVAULABNLI-ZDUSSCGKSA-N 1 0 386.518 -0.483 20 0 GBADRO COCC[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423571818 1072538600 /nfs/dbraw/zinc/53/86/00/1072538600.db2.gz PADBAVNFSXWPFD-CVEARBPZSA-N 1 0 382.505 -0.035 20 0 GBADRO COCC[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423571820 1072538444 /nfs/dbraw/zinc/53/84/44/1072538444.db2.gz PADBAVNFSXWPFD-HOTGVXAUSA-N 1 0 382.505 -0.035 20 0 GBADRO COCC[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423571822 1072538424 /nfs/dbraw/zinc/53/84/24/1072538424.db2.gz PADBAVNFSXWPFD-HZPDHXFCSA-N 1 0 382.505 -0.035 20 0 GBADRO COCC[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423571824 1072538458 /nfs/dbraw/zinc/53/84/58/1072538458.db2.gz PADBAVNFSXWPFD-JKSUJKDBSA-N 1 0 382.505 -0.035 20 0 GBADRO CN(CC[NH3+])C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000423572062 1072538339 /nfs/dbraw/zinc/53/83/39/1072538339.db2.gz WRKHPOYDLYFWEV-UHFFFAOYSA-N 1 0 381.864 -0.160 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000423572076 1072538866 /nfs/dbraw/zinc/53/88/66/1072538866.db2.gz WSBYWBYWXPRFKW-UHFFFAOYSA-N 1 0 377.420 -0.660 20 0 GBADRO CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423572269 1072538900 /nfs/dbraw/zinc/53/89/00/1072538900.db2.gz PRPATYHEVGCPAI-BEFAXECRSA-N 1 0 382.505 -0.301 20 0 GBADRO CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423572270 1072538350 /nfs/dbraw/zinc/53/83/50/1072538350.db2.gz PRPATYHEVGCPAI-DNVCBOLYSA-N 1 0 382.505 -0.301 20 0 GBADRO CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423572271 1072538828 /nfs/dbraw/zinc/53/88/28/1072538828.db2.gz PRPATYHEVGCPAI-HNAYVOBHSA-N 1 0 382.505 -0.301 20 0 GBADRO CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423572272 1072538536 /nfs/dbraw/zinc/53/85/36/1072538536.db2.gz PRPATYHEVGCPAI-KXBFYZLASA-N 1 0 382.505 -0.301 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCO1 ZINC000423572992 1072538257 /nfs/dbraw/zinc/53/82/57/1072538257.db2.gz YEJCVUGGZWCXSJ-KSZLIROESA-N 1 0 388.468 -0.716 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCO1 ZINC000423572997 1072538615 /nfs/dbraw/zinc/53/86/15/1072538615.db2.gz YEJCVUGGZWCXSJ-KURKYZTESA-N 1 0 388.468 -0.716 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000423573056 1072539531 /nfs/dbraw/zinc/53/95/31/1072539531.db2.gz QTFBNTYUURRSRU-UHFFFAOYSA-N 1 0 386.518 -0.483 20 0 GBADRO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423573069 1072539553 /nfs/dbraw/zinc/53/95/53/1072539553.db2.gz QTRBLWPEYSNXJL-UHFFFAOYSA-N 1 0 398.529 -0.339 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423573267 1072538272 /nfs/dbraw/zinc/53/82/72/1072538272.db2.gz RGEKMYADHHJMJN-DOMZBBRYSA-N 1 0 384.502 -0.730 20 0 GBADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423573268 1072539488 /nfs/dbraw/zinc/53/94/88/1072539488.db2.gz RGEKMYADHHJMJN-IUODEOHRSA-N 1 0 384.502 -0.730 20 0 GBADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423573269 1072539415 /nfs/dbraw/zinc/53/94/15/1072539415.db2.gz RGEKMYADHHJMJN-SWLSCSKDSA-N 1 0 384.502 -0.730 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423573270 1072539435 /nfs/dbraw/zinc/53/94/35/1072539435.db2.gz RGEKMYADHHJMJN-WFASDCNBSA-N 1 0 384.502 -0.730 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423573976 1072538798 /nfs/dbraw/zinc/53/87/98/1072538798.db2.gz ZKEFVAYQQWBDSI-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000423573977 1072538375 /nfs/dbraw/zinc/53/83/75/1072538375.db2.gz ZKEFVAYQQWBDSI-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423574365 1072539214 /nfs/dbraw/zinc/53/92/14/1072539214.db2.gz SPYVHUOMAYWDMR-OKILXGFUSA-N 1 0 384.502 -0.588 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@H]12 ZINC000423574829 1072539586 /nfs/dbraw/zinc/53/95/86/1072539586.db2.gz UECCICOPIWRMQW-BYCMXARLSA-N 1 0 384.502 -0.745 20 0 GBADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@@H]12 ZINC000423574830 1072539318 /nfs/dbraw/zinc/53/93/18/1072539318.db2.gz UECCICOPIWRMQW-KCPJHIHWSA-N 1 0 384.502 -0.745 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@@H]12 ZINC000423574831 1072539422 /nfs/dbraw/zinc/53/94/22/1072539422.db2.gz UECCICOPIWRMQW-NILFDRSVSA-N 1 0 384.502 -0.745 20 0 GBADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@H]12 ZINC000423574832 1072539480 /nfs/dbraw/zinc/53/94/80/1072539480.db2.gz UECCICOPIWRMQW-TUKIKUTGSA-N 1 0 384.502 -0.745 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)nn1 ZINC000423574845 1072539494 /nfs/dbraw/zinc/53/94/94/1072539494.db2.gz UHKRPXIRWYBCJY-GFCCVEGCSA-N 1 0 378.433 -0.561 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)nn1 ZINC000423574846 1072539165 /nfs/dbraw/zinc/53/91/65/1072539165.db2.gz UHKRPXIRWYBCJY-LBPRGKRZSA-N 1 0 378.433 -0.561 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)C2)nn1 ZINC000423575035 1072539372 /nfs/dbraw/zinc/53/93/72/1072539372.db2.gz UUZYAFQKRATDRG-BFHYXJOUSA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)C2)nn1 ZINC000423575036 1072539329 /nfs/dbraw/zinc/53/93/29/1072539329.db2.gz UUZYAFQKRATDRG-HZSPNIEDSA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)C2)nn1 ZINC000423575038 1072539440 /nfs/dbraw/zinc/53/94/40/1072539440.db2.gz UUZYAFQKRATDRG-MELADBBJSA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)C2)nn1 ZINC000423575040 1072539065 /nfs/dbraw/zinc/53/90/65/1072539065.db2.gz UUZYAFQKRATDRG-MGPQQGTHSA-N 1 0 392.460 -0.186 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423575055 1072540097 /nfs/dbraw/zinc/54/00/97/1072540097.db2.gz UXJPFNLLVWEWNX-CYBMUJFWSA-N 1 0 378.454 -0.851 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423575056 1072540264 /nfs/dbraw/zinc/54/02/64/1072540264.db2.gz UXJPFNLLVWEWNX-ZDUSSCGKSA-N 1 0 378.454 -0.851 20 0 GBADRO O=C(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423575171 1072540041 /nfs/dbraw/zinc/54/00/41/1072540041.db2.gz VGMUOFTUZQBVSB-KRWDZBQOSA-N 1 0 384.502 -0.729 20 0 GBADRO O=C(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423575172 1072539910 /nfs/dbraw/zinc/53/99/10/1072539910.db2.gz VGMUOFTUZQBVSB-QGZVFWFLSA-N 1 0 384.502 -0.729 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423575328 1072539367 /nfs/dbraw/zinc/53/93/67/1072539367.db2.gz VGWIRIMSSDQOFX-CYBMUJFWSA-N 1 0 392.481 -0.603 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423575329 1072539467 /nfs/dbraw/zinc/53/94/67/1072539467.db2.gz VGWIRIMSSDQOFX-ZDUSSCGKSA-N 1 0 392.481 -0.603 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423575384 1072539204 /nfs/dbraw/zinc/53/92/04/1072539204.db2.gz VNYYTRKMIZQIMP-HRCADAONSA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423575385 1072539385 /nfs/dbraw/zinc/53/93/85/1072539385.db2.gz VNYYTRKMIZQIMP-JYJNAYRXSA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423575386 1072539540 /nfs/dbraw/zinc/53/95/40/1072539540.db2.gz VNYYTRKMIZQIMP-OWCLPIDISA-N 1 0 396.488 -0.938 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423575387 1072539151 /nfs/dbraw/zinc/53/91/51/1072539151.db2.gz VNYYTRKMIZQIMP-PMPSAXMXSA-N 1 0 396.488 -0.938 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@H]21 ZINC000423575421 1072539600 /nfs/dbraw/zinc/53/96/00/1072539600.db2.gz VUVGAGRNGREDBA-APHBMKBZSA-N 1 0 398.529 -0.355 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@H]21 ZINC000423575422 1072540529 /nfs/dbraw/zinc/54/05/29/1072540529.db2.gz VUVGAGRNGREDBA-DAXOMENPSA-N 1 0 398.529 -0.355 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@@H]21 ZINC000423575423 1072540354 /nfs/dbraw/zinc/54/03/54/1072540354.db2.gz VUVGAGRNGREDBA-UHOFOFEASA-N 1 0 398.529 -0.355 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C[C@@H]21 ZINC000423575424 1072540302 /nfs/dbraw/zinc/54/03/02/1072540302.db2.gz VUVGAGRNGREDBA-VBNZEHGJSA-N 1 0 398.529 -0.355 20 0 GBADRO O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423575681 1072539341 /nfs/dbraw/zinc/53/93/41/1072539341.db2.gz WJWOQDLTOPDIOA-UHFFFAOYSA-N 1 0 398.529 -0.339 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000423575755 1072539407 /nfs/dbraw/zinc/53/94/07/1072539407.db2.gz WMYCSFDQHRIPLW-JRPNMDOOSA-N 1 0 378.395 -0.043 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000423575756 1072539564 /nfs/dbraw/zinc/53/95/64/1072539564.db2.gz WMYCSFDQHRIPLW-UEKVPHQBSA-N 1 0 378.395 -0.043 20 0 GBADRO COCC(=O)NC1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423575789 1072539572 /nfs/dbraw/zinc/53/95/72/1072539572.db2.gz WXTQDDVUSQKGRJ-DZGCQCFKSA-N 1 0 378.404 -0.948 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC[NH2+]1 ZINC000423575812 1072539511 /nfs/dbraw/zinc/53/95/11/1072539511.db2.gz XBNUUPQGJLYIQZ-CYBMUJFWSA-N 1 0 392.481 -0.590 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC[NH2+]1 ZINC000423575813 1072539289 /nfs/dbraw/zinc/53/92/89/1072539289.db2.gz XBNUUPQGJLYIQZ-ZDUSSCGKSA-N 1 0 392.481 -0.590 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423575936 1072539309 /nfs/dbraw/zinc/53/93/09/1072539309.db2.gz ZINUXYDKORFQJF-CRAIPNDOSA-N 1 0 398.529 -0.385 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423575937 1072539472 /nfs/dbraw/zinc/53/94/72/1072539472.db2.gz ZINUXYDKORFQJF-MAUKXSAKSA-N 1 0 398.529 -0.385 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423575938 1072539378 /nfs/dbraw/zinc/53/93/78/1072539378.db2.gz ZINUXYDKORFQJF-QAPCUYQASA-N 1 0 398.529 -0.385 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423575939 1072539457 /nfs/dbraw/zinc/53/94/57/1072539457.db2.gz ZINUXYDKORFQJF-YJBOKZPZSA-N 1 0 398.529 -0.385 20 0 GBADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000423576065 1072540437 /nfs/dbraw/zinc/54/04/37/1072540437.db2.gz XHSPABUEGUTMMK-GFCCVEGCSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000423576066 1072540081 /nfs/dbraw/zinc/54/00/81/1072540081.db2.gz XHSPABUEGUTMMK-LBPRGKRZSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423576334 1072540149 /nfs/dbraw/zinc/54/01/49/1072540149.db2.gz XXBLMWSQEJKNTE-CHWSQXEVSA-N 1 0 386.518 -0.498 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423576341 1072540089 /nfs/dbraw/zinc/54/00/89/1072540089.db2.gz XXBLMWSQEJKNTE-OLZOCXBDSA-N 1 0 386.518 -0.498 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000423576350 1072540228 /nfs/dbraw/zinc/54/02/28/1072540228.db2.gz XXBLMWSQEJKNTE-QWHCGFSZSA-N 1 0 386.518 -0.498 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000423576354 1072539900 /nfs/dbraw/zinc/53/99/00/1072539900.db2.gz XXBLMWSQEJKNTE-STQMWFEESA-N 1 0 386.518 -0.498 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423576475 1072539999 /nfs/dbraw/zinc/53/99/99/1072539999.db2.gz YDZKRJKDWKNHLV-AWEZNQCLSA-N 1 0 392.481 -0.590 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000423576476 1072539917 /nfs/dbraw/zinc/53/99/17/1072539917.db2.gz YDZKRJKDWKNHLV-CQSZACIVSA-N 1 0 392.481 -0.590 20 0 GBADRO CN(CC[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423576809 1072540008 /nfs/dbraw/zinc/54/00/08/1072540008.db2.gz YXCHOYSCJMNUCM-CVEARBPZSA-N 1 0 380.489 -0.316 20 0 GBADRO CN(CC[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423576810 1072539926 /nfs/dbraw/zinc/53/99/26/1072539926.db2.gz YXCHOYSCJMNUCM-HOTGVXAUSA-N 1 0 380.489 -0.316 20 0 GBADRO CN(CC[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423576811 1072540109 /nfs/dbraw/zinc/54/01/09/1072540109.db2.gz YXCHOYSCJMNUCM-HZPDHXFCSA-N 1 0 380.489 -0.316 20 0 GBADRO CN(CC[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423576812 1072540412 /nfs/dbraw/zinc/54/04/12/1072540412.db2.gz YXCHOYSCJMNUCM-JKSUJKDBSA-N 1 0 380.489 -0.316 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423576820 1072540003 /nfs/dbraw/zinc/54/00/03/1072540003.db2.gz YYJPUUGLVMIRQI-CHWSQXEVSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423576821 1072540222 /nfs/dbraw/zinc/54/02/22/1072540222.db2.gz YYJPUUGLVMIRQI-OLZOCXBDSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423576822 1072540486 /nfs/dbraw/zinc/54/04/86/1072540486.db2.gz YYJPUUGLVMIRQI-QWHCGFSZSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000423576823 1072539869 /nfs/dbraw/zinc/53/98/69/1072539869.db2.gz YYJPUUGLVMIRQI-STQMWFEESA-N 1 0 386.518 -0.355 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423577048 1072540546 /nfs/dbraw/zinc/54/05/46/1072540546.db2.gz ZSAMMHZXVUOFKK-CHWSQXEVSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423577049 1072540192 /nfs/dbraw/zinc/54/01/92/1072540192.db2.gz ZSAMMHZXVUOFKK-OLZOCXBDSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423577050 1072540449 /nfs/dbraw/zinc/54/04/49/1072540449.db2.gz ZSAMMHZXVUOFKK-QWHCGFSZSA-N 1 0 384.502 -0.873 20 0 GBADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000423577051 1072539960 /nfs/dbraw/zinc/53/99/60/1072539960.db2.gz ZSAMMHZXVUOFKK-STQMWFEESA-N 1 0 384.502 -0.873 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C[C@H]1COCC2 ZINC000423577256 1073523898 /nfs/dbraw/zinc/52/38/98/1073523898.db2.gz GYCHNJLXQJGEHX-HLMBZOQJSA-N 1 0 379.457 -0.390 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C[C@H]1COCC2 ZINC000423577257 1073523507 /nfs/dbraw/zinc/52/35/07/1073523507.db2.gz GYCHNJLXQJGEHX-KVMGVCFTSA-N 1 0 379.457 -0.390 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C[C@H]1COCC2 ZINC000423577258 1073523752 /nfs/dbraw/zinc/52/37/52/1073523752.db2.gz GYCHNJLXQJGEHX-LADRPBIPSA-N 1 0 379.457 -0.390 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C[C@H]1COCC2 ZINC000423577259 1073523348 /nfs/dbraw/zinc/52/33/48/1073523348.db2.gz GYCHNJLXQJGEHX-OSBUWBMXSA-N 1 0 379.457 -0.390 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCOc3c(F)cccc3C2)C1 ZINC000423577499 1072540398 /nfs/dbraw/zinc/54/03/98/1072540398.db2.gz HVNIGEKGKDTRPK-AWEZNQCLSA-N 1 0 392.431 -0.140 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCOc3c(F)cccc3C2)C1 ZINC000423577500 1072540068 /nfs/dbraw/zinc/54/00/68/1072540068.db2.gz HVNIGEKGKDTRPK-CQSZACIVSA-N 1 0 392.431 -0.140 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)C[C@H]1COCC2 ZINC000423577607 1073523501 /nfs/dbraw/zinc/52/35/01/1073523501.db2.gz ILIKJZMRTDNWOR-GQIGUUNPSA-N 1 0 393.484 -0.127 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)C[C@H]1COCC2 ZINC000423577608 1073523476 /nfs/dbraw/zinc/52/34/76/1073523476.db2.gz ILIKJZMRTDNWOR-TWOQFEAHSA-N 1 0 393.484 -0.127 20 0 GBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423577799 1072540050 /nfs/dbraw/zinc/54/00/50/1072540050.db2.gz JAJYMJKONXYXSV-KNBMTAEXSA-N 1 0 391.468 -0.259 20 0 GBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423577800 1072540496 /nfs/dbraw/zinc/54/04/96/1072540496.db2.gz JAJYMJKONXYXSV-RIFZZMRRSA-N 1 0 391.468 -0.259 20 0 GBADRO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423577801 1072539895 /nfs/dbraw/zinc/53/98/95/1072539895.db2.gz JAJYMJKONXYXSV-VPWXQRGCSA-N 1 0 391.468 -0.259 20 0 GBADRO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423577802 1072540368 /nfs/dbraw/zinc/54/03/68/1072540368.db2.gz JAJYMJKONXYXSV-XAUMDUMWSA-N 1 0 391.468 -0.259 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H]1C ZINC000423578016 1072539938 /nfs/dbraw/zinc/53/99/38/1072539938.db2.gz JSGHAMUCMGTWTD-QLFBSQMISA-N 1 0 394.472 -0.933 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H]1C ZINC000423578018 1072540127 /nfs/dbraw/zinc/54/01/27/1072540127.db2.gz JSGHAMUCMGTWTD-RBSFLKMASA-N 1 0 394.472 -0.933 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@H]1C ZINC000423578019 1072540316 /nfs/dbraw/zinc/54/03/16/1072540316.db2.gz JSGHAMUCMGTWTD-RRFJBIMHSA-N 1 0 394.472 -0.933 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@H]1C ZINC000423578020 1072540208 /nfs/dbraw/zinc/54/02/08/1072540208.db2.gz JSGHAMUCMGTWTD-SOUVJXGZSA-N 1 0 394.472 -0.933 20 0 GBADRO COC(=O)[C@]12CN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)C[C@H]1COCC2 ZINC000423578153 1073523914 /nfs/dbraw/zinc/52/39/14/1073523914.db2.gz KLFOMOJXLURMHC-IFXJQAMLSA-N 1 0 379.457 -0.373 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)CC[NH2+]1 ZINC000423578569 1072540505 /nfs/dbraw/zinc/54/05/05/1072540505.db2.gz LPJUSUCKCDRKIN-ILXRZTDVSA-N 1 0 378.452 -0.332 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)CC[NH2+]1 ZINC000423578570 1072539968 /nfs/dbraw/zinc/53/99/68/1072539968.db2.gz LPJUSUCKCDRKIN-KKUMJFAQSA-N 1 0 378.452 -0.332 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423578617 1072540536 /nfs/dbraw/zinc/54/05/36/1072540536.db2.gz LYQZVXHWVLMOMH-AWEZNQCLSA-N 1 0 380.420 -0.331 20 0 GBADRO COc1ccc(F)c(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423578618 1072540246 /nfs/dbraw/zinc/54/02/46/1072540246.db2.gz LYQZVXHWVLMOMH-CQSZACIVSA-N 1 0 380.420 -0.331 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CCN2C1=O ZINC000423579829 1072540557 /nfs/dbraw/zinc/54/05/57/1072540557.db2.gz PVCOCCJKOQPYKF-JYJNAYRXSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CCN2C1=O ZINC000423579830 1072539855 /nfs/dbraw/zinc/53/98/55/1072539855.db2.gz PVCOCCJKOQPYKF-OAGGEKHMSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CCN2C1=O ZINC000423579831 1072540383 /nfs/dbraw/zinc/54/03/83/1072540383.db2.gz PVCOCCJKOQPYKF-PMPSAXMXSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CCN2C1=O ZINC000423579832 1072541123 /nfs/dbraw/zinc/54/11/23/1072541123.db2.gz PVCOCCJKOQPYKF-XHSDSOJGSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CCN2C1=O ZINC000423579839 1072541054 /nfs/dbraw/zinc/54/10/54/1072541054.db2.gz PVQKOEWELJRJSI-JYJNAYRXSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCN2C1=O ZINC000423579840 1072541091 /nfs/dbraw/zinc/54/10/91/1072541091.db2.gz PVQKOEWELJRJSI-OAGGEKHMSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CCN2C1=O ZINC000423579841 1072541220 /nfs/dbraw/zinc/54/12/20/1072541220.db2.gz PVQKOEWELJRJSI-PMPSAXMXSA-N 1 0 377.489 -0.341 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CCN2C1=O ZINC000423579842 1072541144 /nfs/dbraw/zinc/54/11/44/1072541144.db2.gz PVQKOEWELJRJSI-XHSDSOJGSA-N 1 0 377.489 -0.341 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)CC[NH2+]1 ZINC000423579963 1072540162 /nfs/dbraw/zinc/54/01/62/1072540162.db2.gz PZMQAVWCYPCISC-GFCCVEGCSA-N 1 0 390.444 -0.164 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)CC[NH2+]1 ZINC000423579964 1072540462 /nfs/dbraw/zinc/54/04/62/1072540462.db2.gz PZMQAVWCYPCISC-LBPRGKRZSA-N 1 0 390.444 -0.164 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000423580293 1072540751 /nfs/dbraw/zinc/54/07/51/1072540751.db2.gz RIAVGYSGMXNVPW-OWCLPIDISA-N 1 0 377.489 -0.056 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000423580294 1072541107 /nfs/dbraw/zinc/54/11/07/1072541107.db2.gz RIAVGYSGMXNVPW-XHSDSOJGSA-N 1 0 377.489 -0.056 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000423580608 1073523620 /nfs/dbraw/zinc/52/36/20/1073523620.db2.gz SNSBSPBOJPEBKJ-HNAYVOBHSA-N 1 0 381.473 -0.127 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC[NH2+]1 ZINC000423580760 1072541263 /nfs/dbraw/zinc/54/12/63/1072541263.db2.gz SWVLWTVDZBQJBX-DZKIICNBSA-N 1 0 380.468 -0.389 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC[NH2+]1 ZINC000423580762 1072541415 /nfs/dbraw/zinc/54/14/15/1072541415.db2.gz SWVLWTVDZBQJBX-YCPHGPKFSA-N 1 0 380.468 -0.389 20 0 GBADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423580905 1072541038 /nfs/dbraw/zinc/54/10/38/1072541038.db2.gz AMGVDJXJBLRPBE-AWEZNQCLSA-N 1 0 382.486 -0.293 20 0 GBADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423580908 1072541084 /nfs/dbraw/zinc/54/10/84/1072541084.db2.gz AMGVDJXJBLRPBE-CQSZACIVSA-N 1 0 382.486 -0.293 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@H]1[NH3+] ZINC000423580961 1072541299 /nfs/dbraw/zinc/54/12/99/1072541299.db2.gz UMWMYQCFZHRFAR-BFJAYTPKSA-N 1 0 380.468 -0.404 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@H]1[NH3+] ZINC000423580968 1072541148 /nfs/dbraw/zinc/54/11/48/1072541148.db2.gz UMWMYQCFZHRFAR-DARAHFNDSA-N 1 0 380.468 -0.404 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@@H]1[NH3+] ZINC000423580970 1072540836 /nfs/dbraw/zinc/54/08/36/1072540836.db2.gz UMWMYQCFZHRFAR-SDADXPQNSA-N 1 0 380.468 -0.404 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)C[C@@H]1[NH3+] ZINC000423580971 1072541246 /nfs/dbraw/zinc/54/12/46/1072541246.db2.gz UMWMYQCFZHRFAR-VRKREXBASA-N 1 0 380.468 -0.404 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)C[C@@]1(C)C[NH3+] ZINC000423581219 1072541060 /nfs/dbraw/zinc/54/10/60/1072541060.db2.gz UZDXSRKOPDIWRC-FZKQIMNGSA-N 1 0 386.460 -0.784 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000423581236 1072541030 /nfs/dbraw/zinc/54/10/30/1072541030.db2.gz VAAIRRBSTJFGMW-CYBMUJFWSA-N 1 0 392.431 -0.140 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000423581238 1072541046 /nfs/dbraw/zinc/54/10/46/1072541046.db2.gz VAAIRRBSTJFGMW-ZDUSSCGKSA-N 1 0 392.431 -0.140 20 0 GBADRO O=C(C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423581317 1072541012 /nfs/dbraw/zinc/54/10/12/1072541012.db2.gz CAOOKXMRKCHSRM-OKILXGFUSA-N 1 0 384.502 -0.634 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H]1C[NH3+] ZINC000423581694 1072541072 /nfs/dbraw/zinc/54/10/72/1072541072.db2.gz DDPBNHDKNCEUMQ-KBPBESRZSA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H]1C[NH3+] ZINC000423581697 1072541345 /nfs/dbraw/zinc/54/13/45/1072541345.db2.gz DDPBNHDKNCEUMQ-KGLIPLIRSA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H]1C[NH3+] ZINC000423581699 1072541378 /nfs/dbraw/zinc/54/13/78/1072541378.db2.gz DDPBNHDKNCEUMQ-UONOGXRCSA-N 1 0 386.518 -0.544 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H]1C[NH3+] ZINC000423581700 1072541125 /nfs/dbraw/zinc/54/11/25/1072541125.db2.gz DDPBNHDKNCEUMQ-ZIAGYGMSSA-N 1 0 386.518 -0.544 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423581966 1072541389 /nfs/dbraw/zinc/54/13/89/1072541389.db2.gz WJVDTAMZEDMXQD-AWEZNQCLSA-N 1 0 388.476 -0.395 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423581972 1072541000 /nfs/dbraw/zinc/54/10/00/1072541000.db2.gz WJVDTAMZEDMXQD-CQSZACIVSA-N 1 0 388.476 -0.395 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CCN2C1=O ZINC000423582479 1072541135 /nfs/dbraw/zinc/54/11/35/1072541135.db2.gz XPGZQFSUDFZRMQ-CAOSSQGBSA-N 1 0 377.489 -0.214 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CCN2C1=O ZINC000423582482 1072541139 /nfs/dbraw/zinc/54/11/39/1072541139.db2.gz XPGZQFSUDFZRMQ-JONQDZQNSA-N 1 0 377.489 -0.214 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CCN2C1=O ZINC000423582484 1072541128 /nfs/dbraw/zinc/54/11/28/1072541128.db2.gz XPGZQFSUDFZRMQ-VGWMRTNUSA-N 1 0 377.489 -0.214 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CCN2C1=O ZINC000423582487 1072541160 /nfs/dbraw/zinc/54/11/60/1072541160.db2.gz XPGZQFSUDFZRMQ-YHUYYLMFSA-N 1 0 377.489 -0.214 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423582496 1072540925 /nfs/dbraw/zinc/54/09/25/1072540925.db2.gz XQAMZBYFHIWRBR-XHSDSOJGSA-N 1 0 380.468 -0.259 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000423582509 1072540903 /nfs/dbraw/zinc/54/09/03/1072540903.db2.gz GUHNSRFQDDFWAF-MXASKKJJSA-N 1 0 389.452 -0.024 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CCN2C1=O ZINC000423582844 1072541232 /nfs/dbraw/zinc/54/12/32/1072541232.db2.gz YGLIJYRGZKFPQG-BEFAXECRSA-N 1 0 377.489 -0.197 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CCN2C1=O ZINC000423582846 1072541406 /nfs/dbraw/zinc/54/14/06/1072541406.db2.gz YGLIJYRGZKFPQG-DNVCBOLYSA-N 1 0 377.489 -0.197 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CCN2C1=O ZINC000423582848 1072540969 /nfs/dbraw/zinc/54/09/69/1072540969.db2.gz YGLIJYRGZKFPQG-HNAYVOBHSA-N 1 0 377.489 -0.197 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CCN2C1=O ZINC000423582852 1072541119 /nfs/dbraw/zinc/54/11/19/1072541119.db2.gz YGLIJYRGZKFPQG-KXBFYZLASA-N 1 0 377.489 -0.197 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000423582853 1072541157 /nfs/dbraw/zinc/54/11/57/1072541157.db2.gz ICIHDGOKNSCIKC-WXYCVUISSA-N 1 0 393.415 -0.132 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000423582938 1072540949 /nfs/dbraw/zinc/54/09/49/1072540949.db2.gz BHUVYXMPZPIJBP-SOUVJXGZSA-N 1 0 390.488 -0.464 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000423583240 1072541649 /nfs/dbraw/zinc/54/16/49/1072541649.db2.gz BWIXQTXIEKFPNI-BEFAXECRSA-N 1 0 382.505 -0.206 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000423583241 1072541946 /nfs/dbraw/zinc/54/19/46/1072541946.db2.gz BWIXQTXIEKFPNI-DNVCBOLYSA-N 1 0 382.505 -0.206 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000423583242 1072542008 /nfs/dbraw/zinc/54/20/08/1072542008.db2.gz BWIXQTXIEKFPNI-HNAYVOBHSA-N 1 0 382.505 -0.206 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000423583243 1072541893 /nfs/dbraw/zinc/54/18/93/1072541893.db2.gz BWIXQTXIEKFPNI-KXBFYZLASA-N 1 0 382.505 -0.206 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CCOC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423583389 1072541095 /nfs/dbraw/zinc/54/10/95/1072541095.db2.gz JQOQCGQMWGUNNH-JXFKEZNVSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CCOC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423583392 1072541075 /nfs/dbraw/zinc/54/10/75/1072541075.db2.gz JQOQCGQMWGUNNH-OXJNMPFZSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CCOC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423583394 1072542191 /nfs/dbraw/zinc/54/21/91/1072542191.db2.gz JQOQCGQMWGUNNH-OXQOHEQNSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CCOC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423583397 1072542051 /nfs/dbraw/zinc/54/20/51/1072542051.db2.gz JQOQCGQMWGUNNH-UZLBHIALSA-N 1 0 392.500 -0.314 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000423583524 1072540932 /nfs/dbraw/zinc/54/09/32/1072540932.db2.gz KEZMFFXFAKSEFB-SLBVQIDZSA-N 1 0 375.425 -0.271 20 0 GBADRO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423583748 1072540853 /nfs/dbraw/zinc/54/08/53/1072540853.db2.gz ZQAGTQKRZSOGSH-JXFKEZNVSA-N 1 0 394.516 -0.070 20 0 GBADRO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423583750 1072541200 /nfs/dbraw/zinc/54/12/00/1072541200.db2.gz ZQAGTQKRZSOGSH-OXJNMPFZSA-N 1 0 394.516 -0.070 20 0 GBADRO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423583753 1072541067 /nfs/dbraw/zinc/54/10/67/1072541067.db2.gz ZQAGTQKRZSOGSH-OXQOHEQNSA-N 1 0 394.516 -0.070 20 0 GBADRO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423583755 1072541359 /nfs/dbraw/zinc/54/13/59/1072541359.db2.gz ZQAGTQKRZSOGSH-UZLBHIALSA-N 1 0 394.516 -0.070 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000423584142 1072541658 /nfs/dbraw/zinc/54/16/58/1072541658.db2.gz LZJMNPBGVMUQLE-MSQAHXEGSA-N 1 0 393.415 -0.132 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000423584737 1072542135 /nfs/dbraw/zinc/54/21/35/1072542135.db2.gz QHQXKBVJLDLCDH-CYBMUJFWSA-N 1 0 379.482 -0.162 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000423584738 1072541843 /nfs/dbraw/zinc/54/18/43/1072541843.db2.gz QHQXKBVJLDLCDH-ZDUSSCGKSA-N 1 0 379.482 -0.162 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000423584835 1072542216 /nfs/dbraw/zinc/54/22/16/1072542216.db2.gz RJNSEOCIHUHOJJ-HNNXBMFYSA-N 1 0 388.534 -0.155 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000423584836 1072541704 /nfs/dbraw/zinc/54/17/04/1072541704.db2.gz RJNSEOCIHUHOJJ-OAHLLOKOSA-N 1 0 388.534 -0.155 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423584837 1072542003 /nfs/dbraw/zinc/54/20/03/1072542003.db2.gz RJQUZFIROBNJMI-CXAGYDPISA-N 1 0 386.518 -0.544 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000423585626 1072542075 /nfs/dbraw/zinc/54/20/75/1072542075.db2.gz ALAOFNKDXCKQNZ-QMTMVMCOSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000423585628 1072541803 /nfs/dbraw/zinc/54/18/03/1072541803.db2.gz ALAOFNKDXCKQNZ-SPYBWZPUSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423585630 1072541836 /nfs/dbraw/zinc/54/18/36/1072541836.db2.gz ALAOFNKDXCKQNZ-YZVOILCLSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000423585632 1072541902 /nfs/dbraw/zinc/54/19/02/1072541902.db2.gz ALAOFNKDXCKQNZ-ZRGWGRIASA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)c1cnn(C2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000423585682 1072542158 /nfs/dbraw/zinc/54/21/58/1072542158.db2.gz AAIIVAOSDUYANR-UHFFFAOYSA-N 1 0 377.445 -0.036 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423586103 1072541872 /nfs/dbraw/zinc/54/18/72/1072541872.db2.gz AXLNBFQJNMCQPC-HNNXBMFYSA-N 1 0 394.497 -0.141 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423586105 1072541911 /nfs/dbraw/zinc/54/19/11/1072541911.db2.gz AXLNBFQJNMCQPC-OAHLLOKOSA-N 1 0 394.497 -0.141 20 0 GBADRO Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423586184 1072541952 /nfs/dbraw/zinc/54/19/52/1072541952.db2.gz BDQISJJIWVLVPS-GDBMZVCRSA-N 1 0 390.488 -0.213 20 0 GBADRO Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423586185 1072542041 /nfs/dbraw/zinc/54/20/41/1072542041.db2.gz BDQISJJIWVLVPS-GOEBONIOSA-N 1 0 390.488 -0.213 20 0 GBADRO Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423586186 1072542122 /nfs/dbraw/zinc/54/21/22/1072542122.db2.gz BDQISJJIWVLVPS-HOCLYGCPSA-N 1 0 390.488 -0.213 20 0 GBADRO Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423586189 1072542106 /nfs/dbraw/zinc/54/21/06/1072542106.db2.gz BDQISJJIWVLVPS-ZBFHGGJFSA-N 1 0 390.488 -0.213 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C[C@@H]21 ZINC000423586218 1072541735 /nfs/dbraw/zinc/54/17/35/1072541735.db2.gz YNXPGDPHOLVQOK-CWRNSKLLSA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C[C@H]21 ZINC000423586219 1072541994 /nfs/dbraw/zinc/54/19/94/1072541994.db2.gz YNXPGDPHOLVQOK-FVQBIDKESA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C[C@H]21 ZINC000423586220 1072541689 /nfs/dbraw/zinc/54/16/89/1072541689.db2.gz YNXPGDPHOLVQOK-NUEKZKHPSA-N 1 0 398.529 -0.401 20 0 GBADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C[C@@H]21 ZINC000423586221 1072542082 /nfs/dbraw/zinc/54/20/82/1072542082.db2.gz YNXPGDPHOLVQOK-VNQPRFMTSA-N 1 0 398.529 -0.401 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000423586312 1072541979 /nfs/dbraw/zinc/54/19/79/1072541979.db2.gz CIQOQZYGFZGGKV-HNNXBMFYSA-N 1 0 396.513 -0.058 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000423586313 1072542025 /nfs/dbraw/zinc/54/20/25/1072542025.db2.gz CIQOQZYGFZGGKV-OAHLLOKOSA-N 1 0 396.513 -0.058 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C2)[nH]n1 ZINC000423586587 1072542256 /nfs/dbraw/zinc/54/22/56/1072542256.db2.gz DRQIMMWBBMTATB-CYBMUJFWSA-N 1 0 378.477 -0.166 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423587096 1072542874 /nfs/dbraw/zinc/54/28/74/1072542874.db2.gz FFUCVVLPSXHQPQ-GOEBONIOSA-N 1 0 392.504 -0.075 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423587098 1072542654 /nfs/dbraw/zinc/54/26/54/1072542654.db2.gz FFUCVVLPSXHQPQ-HOCLYGCPSA-N 1 0 392.504 -0.075 20 0 GBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423587991 1072541721 /nfs/dbraw/zinc/54/17/21/1072541721.db2.gz DHZYMLZNHIUBDZ-CYBMUJFWSA-N 1 0 398.485 -0.489 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)s1 ZINC000423587993 1072541971 /nfs/dbraw/zinc/54/19/71/1072541971.db2.gz GJBQORVRAOVNGW-BETUJISGSA-N 1 0 392.481 -0.139 20 0 GBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423588003 1072542223 /nfs/dbraw/zinc/54/22/23/1072542223.db2.gz DHZYMLZNHIUBDZ-ZDUSSCGKSA-N 1 0 398.485 -0.489 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000423588186 1072542630 /nfs/dbraw/zinc/54/26/30/1072542630.db2.gz ARLOQHGPISOGKQ-AWEZNQCLSA-N 1 0 382.486 -0.448 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000423588187 1072543003 /nfs/dbraw/zinc/54/30/03/1072543003.db2.gz ARLOQHGPISOGKQ-CQSZACIVSA-N 1 0 382.486 -0.448 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000423588214 1072543174 /nfs/dbraw/zinc/54/31/74/1072543174.db2.gz AUQMOUYVTYIJMM-AWEZNQCLSA-N 1 0 376.432 -0.141 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000423588215 1072542933 /nfs/dbraw/zinc/54/29/33/1072542933.db2.gz AUQMOUYVTYIJMM-CQSZACIVSA-N 1 0 376.432 -0.141 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423588850 1072543095 /nfs/dbraw/zinc/54/30/95/1072543095.db2.gz DIUUZHHNWLLUEI-KBXCAEBGSA-N 1 0 385.461 -0.619 20 0 GBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423588886 1072542681 /nfs/dbraw/zinc/54/26/81/1072542681.db2.gz DIUUZHHNWLLUEI-KDOFPFPSSA-N 1 0 385.461 -0.619 20 0 GBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423588890 1072542709 /nfs/dbraw/zinc/54/27/09/1072542709.db2.gz DIUUZHHNWLLUEI-KSSFIOAISA-N 1 0 385.461 -0.619 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423588893 1072542844 /nfs/dbraw/zinc/54/28/44/1072542844.db2.gz DIUUZHHNWLLUEI-RDTXWAMCSA-N 1 0 385.461 -0.619 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCN1C(=O)c1cnn(C)c1 ZINC000423588991 1072543075 /nfs/dbraw/zinc/54/30/75/1072543075.db2.gz HHQANWRQIABZAP-ZDUSSCGKSA-N 1 0 376.461 -0.697 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423589159 1072536930 /nfs/dbraw/zinc/53/69/30/1072536930.db2.gz BUCVGDIQWVEIKU-HNNXBMFYSA-N 1 0 394.497 -0.519 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423589160 1072536956 /nfs/dbraw/zinc/53/69/56/1072536956.db2.gz BUCVGDIQWVEIKU-OAHLLOKOSA-N 1 0 394.497 -0.519 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)nc1 ZINC000423589686 1072537026 /nfs/dbraw/zinc/53/70/26/1072537026.db2.gz CSLIWTYSSKPIDU-AWEZNQCLSA-N 1 0 389.456 -0.273 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)nc1 ZINC000423589687 1072536782 /nfs/dbraw/zinc/53/67/82/1072536782.db2.gz CSLIWTYSSKPIDU-CQSZACIVSA-N 1 0 389.456 -0.273 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000423590897 1072536985 /nfs/dbraw/zinc/53/69/85/1072536985.db2.gz IVQBIEGSVSUTTH-CYBMUJFWSA-N 1 0 398.485 -0.618 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000423590902 1072536834 /nfs/dbraw/zinc/53/68/34/1072536834.db2.gz IVQBIEGSVSUTTH-ZDUSSCGKSA-N 1 0 398.485 -0.618 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423590932 1072536888 /nfs/dbraw/zinc/53/68/88/1072536888.db2.gz BNMGOQBEOLAHBI-DLBZAZTESA-N 1 0 387.484 -0.432 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423590936 1072536822 /nfs/dbraw/zinc/53/68/22/1072536822.db2.gz BNMGOQBEOLAHBI-IAGOWNOFSA-N 1 0 387.484 -0.432 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423590941 1072537059 /nfs/dbraw/zinc/53/70/59/1072537059.db2.gz BNMGOQBEOLAHBI-IRXDYDNUSA-N 1 0 387.484 -0.432 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423590945 1072536892 /nfs/dbraw/zinc/53/68/92/1072536892.db2.gz BNMGOQBEOLAHBI-SJORKVTESA-N 1 0 387.484 -0.432 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)nc1 ZINC000423590965 1072536915 /nfs/dbraw/zinc/53/69/15/1072536915.db2.gz JQDFFZBKJJICJX-HNNXBMFYSA-N 1 0 377.445 -0.685 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)nc1 ZINC000423590966 1072536945 /nfs/dbraw/zinc/53/69/45/1072536945.db2.gz JQDFFZBKJJICJX-OAHLLOKOSA-N 1 0 377.445 -0.685 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000423591030 1072536670 /nfs/dbraw/zinc/53/66/70/1072536670.db2.gz BTFUGNOCOGMYQT-CYBMUJFWSA-N 1 0 386.460 -0.778 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000423591031 1072536839 /nfs/dbraw/zinc/53/68/39/1072536839.db2.gz BTFUGNOCOGMYQT-ZDUSSCGKSA-N 1 0 386.460 -0.778 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423591204 1072547340 /nfs/dbraw/zinc/54/73/40/1072547340.db2.gz JCLUDHJGMXGLQP-KRWDZBQOSA-N 1 0 393.532 -0.210 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423591217 1072547575 /nfs/dbraw/zinc/54/75/75/1072547575.db2.gz JCLUDHJGMXGLQP-QGZVFWFLSA-N 1 0 393.532 -0.210 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)[C@H](C)C2)[nH]n1 ZINC000423591498 1072547125 /nfs/dbraw/zinc/54/71/25/1072547125.db2.gz KGQLEWXGKAELFE-CABCVRRESA-N 1 0 390.488 -0.022 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)[C@H](C)C2)[nH]n1 ZINC000423591499 1072547607 /nfs/dbraw/zinc/54/76/07/1072547607.db2.gz KGQLEWXGKAELFE-HUUCEWRRSA-N 1 0 390.488 -0.022 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423591521 1072547748 /nfs/dbraw/zinc/54/77/48/1072547748.db2.gz CHRFXKLVGZWUIL-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423591523 1072547685 /nfs/dbraw/zinc/54/76/85/1072547685.db2.gz CHRFXKLVGZWUIL-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO COCCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@H]1CCCSC1 ZINC000423592240 1072547141 /nfs/dbraw/zinc/54/71/41/1072547141.db2.gz HYXYYSMOXRFBNZ-CVEARBPZSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H]1CCCSC1 ZINC000423592241 1072547392 /nfs/dbraw/zinc/54/73/92/1072547392.db2.gz HYXYYSMOXRFBNZ-HOTGVXAUSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@H]1CCCSC1 ZINC000423592242 1072547638 /nfs/dbraw/zinc/54/76/38/1072547638.db2.gz HYXYYSMOXRFBNZ-HZPDHXFCSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H]1CCCSC1 ZINC000423592243 1072547555 /nfs/dbraw/zinc/54/75/55/1072547555.db2.gz HYXYYSMOXRFBNZ-JKSUJKDBSA-N 1 0 384.546 -0.137 20 0 GBADRO CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423592438 1072547382 /nfs/dbraw/zinc/54/73/82/1072547382.db2.gz LLTOUAWKUUIGML-KRWDZBQOSA-N 1 0 376.505 -0.089 20 0 GBADRO CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423592442 1072547285 /nfs/dbraw/zinc/54/72/85/1072547285.db2.gz LLTOUAWKUUIGML-QGZVFWFLSA-N 1 0 376.505 -0.089 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000423593110 1072547373 /nfs/dbraw/zinc/54/73/73/1072547373.db2.gz LQDIYEDCVCUMQW-KBPBESRZSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000423593111 1072547791 /nfs/dbraw/zinc/54/77/91/1072547791.db2.gz LQDIYEDCVCUMQW-KGLIPLIRSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000423593112 1072547497 /nfs/dbraw/zinc/54/74/97/1072547497.db2.gz LQDIYEDCVCUMQW-UONOGXRCSA-N 1 0 386.460 -0.628 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000423593113 1072547117 /nfs/dbraw/zinc/54/71/17/1072547117.db2.gz LQDIYEDCVCUMQW-ZIAGYGMSSA-N 1 0 386.460 -0.628 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423593224 1072547181 /nfs/dbraw/zinc/54/71/81/1072547181.db2.gz MOEWOOYTROZZJZ-IHRRRGAJSA-N 1 0 376.461 -0.698 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423593228 1072547647 /nfs/dbraw/zinc/54/76/47/1072547647.db2.gz MOEWOOYTROZZJZ-MCIONIFRSA-N 1 0 376.461 -0.698 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423593230 1072547693 /nfs/dbraw/zinc/54/76/93/1072547693.db2.gz MOEWOOYTROZZJZ-MJBXVCDLSA-N 1 0 376.461 -0.698 20 0 GBADRO COc1ccc2c(c1)OCCN(C(=O)C(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)C2 ZINC000423593478 1072547739 /nfs/dbraw/zinc/54/77/39/1072547739.db2.gz JDCRKDODHHKUPP-INIZCTEOSA-N 1 0 388.468 -0.078 20 0 GBADRO COc1ccc2c(c1)OCCN(C(=O)C(=O)N1CC[C@@H](N3CC[NH2+]CC3)C1)C2 ZINC000423593486 1072547597 /nfs/dbraw/zinc/54/75/97/1072547597.db2.gz JDCRKDODHHKUPP-MRXNPFEDSA-N 1 0 388.468 -0.078 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cnn(C)c1 ZINC000423594580 1072548415 /nfs/dbraw/zinc/54/84/15/1072548415.db2.gz ODOCHPGDMNCAGO-CWRNSKLLSA-N 1 0 388.472 -0.554 20 0 GBADRO COC(=O)c1cccc2c1CCN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C2 ZINC000423594638 1072547514 /nfs/dbraw/zinc/54/75/14/1072547514.db2.gz OJQXLRTVGATDMB-AWEZNQCLSA-N 1 0 375.425 -0.066 20 0 GBADRO COC(=O)c1cccc2c1CCN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C2 ZINC000423594639 1072547566 /nfs/dbraw/zinc/54/75/66/1072547566.db2.gz OJQXLRTVGATDMB-CQSZACIVSA-N 1 0 375.425 -0.066 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)s1 ZINC000423594902 1072547710 /nfs/dbraw/zinc/54/77/10/1072547710.db2.gz PEQQYPGMQKDPRX-GFCCVEGCSA-N 1 0 380.470 -0.010 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)s1 ZINC000423594905 1072547359 /nfs/dbraw/zinc/54/73/59/1072547359.db2.gz PEQQYPGMQKDPRX-LBPRGKRZSA-N 1 0 380.470 -0.010 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)CC1 ZINC000423595076 1072548490 /nfs/dbraw/zinc/54/84/90/1072548490.db2.gz PKPVGQDTNNEWLI-INIZCTEOSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)CC1 ZINC000423595077 1072548792 /nfs/dbraw/zinc/54/87/92/1072548792.db2.gz PKPVGQDTNNEWLI-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO O=C(C(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)N1CC[NH2+]CC1 ZINC000423595644 1072548711 /nfs/dbraw/zinc/54/87/11/1072548711.db2.gz LSXJPXXLPRZGSJ-CVEARBPZSA-N 1 0 384.436 -0.406 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423595728 1072548395 /nfs/dbraw/zinc/54/83/95/1072548395.db2.gz QKSYNVDTBCEDDR-BRWVUGGUSA-N 1 0 389.452 -0.022 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423595729 1072548539 /nfs/dbraw/zinc/54/85/39/1072548539.db2.gz QKSYNVDTBCEDDR-GVDBMIGSSA-N 1 0 389.452 -0.022 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423595889 1072548278 /nfs/dbraw/zinc/54/82/78/1072548278.db2.gz LYTGYLAEDXHIHN-BBWFWOEESA-N 1 0 398.463 -0.017 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423595890 1072548702 /nfs/dbraw/zinc/54/87/02/1072548702.db2.gz LYTGYLAEDXHIHN-ZACQAIPSSA-N 1 0 398.463 -0.017 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)s1 ZINC000423595957 1072548673 /nfs/dbraw/zinc/54/86/73/1072548673.db2.gz QVVQMHJXUATNIN-GFCCVEGCSA-N 1 0 396.469 -0.631 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)s1 ZINC000423595960 1072548261 /nfs/dbraw/zinc/54/82/61/1072548261.db2.gz QVVQMHJXUATNIN-LBPRGKRZSA-N 1 0 396.469 -0.631 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000423596236 1072548642 /nfs/dbraw/zinc/54/86/42/1072548642.db2.gz RICDDUFOHSTCOO-ZDUSSCGKSA-N 1 0 378.477 -0.464 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)[C@H](C)C2)[nH]n1 ZINC000423596266 1072548309 /nfs/dbraw/zinc/54/83/09/1072548309.db2.gz RLSCMIZXRZBEON-BBEGDGIKSA-N 1 0 390.488 -0.166 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000423596427 1072548147 /nfs/dbraw/zinc/54/81/47/1072548147.db2.gz RPZOOXGAFWIUFH-DOTOQJQBSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000423596428 1072548115 /nfs/dbraw/zinc/54/81/15/1072548115.db2.gz RPZOOXGAFWIUFH-NVXWUHKLSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000423596429 1072548547 /nfs/dbraw/zinc/54/85/47/1072548547.db2.gz RPZOOXGAFWIUFH-RDJZCZTQSA-N 1 0 393.532 -0.212 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000423596430 1072548101 /nfs/dbraw/zinc/54/81/01/1072548101.db2.gz RPZOOXGAFWIUFH-WBVHZDCISA-N 1 0 393.532 -0.212 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423596679 1072548249 /nfs/dbraw/zinc/54/82/49/1072548249.db2.gz NHWUWBPXXCFHMI-BBWFWOEESA-N 1 0 398.463 -0.030 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423596683 1072548560 /nfs/dbraw/zinc/54/85/60/1072548560.db2.gz NHWUWBPXXCFHMI-ZACQAIPSSA-N 1 0 398.463 -0.030 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC[NH2+]1 ZINC000423597050 1072548651 /nfs/dbraw/zinc/54/86/51/1072548651.db2.gz OABQPKHZRLKOKB-OIISXLGYSA-N 1 0 398.463 -0.017 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC[NH2+]1 ZINC000423597051 1072548737 /nfs/dbraw/zinc/54/87/37/1072548737.db2.gz OABQPKHZRLKOKB-UAGQMJEPSA-N 1 0 398.463 -0.017 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)ccc1F ZINC000423597061 1072548122 /nfs/dbraw/zinc/54/81/22/1072548122.db2.gz OAUXIEKMZQXYAV-AWEZNQCLSA-N 1 0 380.420 -0.331 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)ccc1F ZINC000423597062 1072548513 /nfs/dbraw/zinc/54/85/13/1072548513.db2.gz OAUXIEKMZQXYAV-CQSZACIVSA-N 1 0 380.420 -0.331 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2)s1 ZINC000423597355 1072548614 /nfs/dbraw/zinc/54/86/14/1072548614.db2.gz TWUJGXSKLYCBHS-NEPJUHHUSA-N 1 0 380.470 -0.011 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)s1 ZINC000423597357 1072548135 /nfs/dbraw/zinc/54/81/35/1072548135.db2.gz TWUJGXSKLYCBHS-NWDGAFQWSA-N 1 0 380.470 -0.011 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)s1 ZINC000423597359 1072548378 /nfs/dbraw/zinc/54/83/78/1072548378.db2.gz TWUJGXSKLYCBHS-RYUDHWBXSA-N 1 0 380.470 -0.011 20 0 GBADRO COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)s1 ZINC000423597361 1072548236 /nfs/dbraw/zinc/54/82/36/1072548236.db2.gz TWUJGXSKLYCBHS-VXGBXAGGSA-N 1 0 380.470 -0.011 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423597606 1072548442 /nfs/dbraw/zinc/54/84/42/1072548442.db2.gz UJTRQUOSEIVKKV-NIKGAXFTSA-N 1 0 380.489 -0.594 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)C[C@@]1(C)C[NH3+] ZINC000423597607 1072548624 /nfs/dbraw/zinc/54/86/24/1072548624.db2.gz UJTRQUOSEIVKKV-ZMYBRWDISA-N 1 0 380.489 -0.594 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000423599074 1072548083 /nfs/dbraw/zinc/54/80/83/1072548083.db2.gz XAVPCYQIFNDSHR-HNNXBMFYSA-N 1 0 381.473 -0.127 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000423599075 1072548633 /nfs/dbraw/zinc/54/86/33/1072548633.db2.gz XAVPCYQIFNDSHR-OAHLLOKOSA-N 1 0 381.473 -0.127 20 0 GBADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423599830 1072548333 /nfs/dbraw/zinc/54/83/33/1072548333.db2.gz QVEGQPBQMOREOX-OAGGEKHMSA-N 1 0 384.436 -0.278 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 ZINC000423599834 1072548760 /nfs/dbraw/zinc/54/87/60/1072548760.db2.gz QVEGQPBQMOREOX-XHSDSOJGSA-N 1 0 384.436 -0.278 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423600195 1072548294 /nfs/dbraw/zinc/54/82/94/1072548294.db2.gz YSJJLHLINXJAIA-CVEARBPZSA-N 1 0 379.505 -0.648 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423600196 1072548532 /nfs/dbraw/zinc/54/85/32/1072548532.db2.gz YSJJLHLINXJAIA-HOTGVXAUSA-N 1 0 379.505 -0.648 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423600197 1072548521 /nfs/dbraw/zinc/54/85/21/1072548521.db2.gz YSJJLHLINXJAIA-HZPDHXFCSA-N 1 0 379.505 -0.648 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423600198 1072548157 /nfs/dbraw/zinc/54/81/57/1072548157.db2.gz YSJJLHLINXJAIA-JKSUJKDBSA-N 1 0 379.505 -0.648 20 0 GBADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423601261 1072543104 /nfs/dbraw/zinc/54/31/04/1072543104.db2.gz BWYQYMIMDVANLR-GOSISDBHSA-N 1 0 399.495 -0.242 20 0 GBADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423601262 1072542564 /nfs/dbraw/zinc/54/25/64/1072542564.db2.gz BWYQYMIMDVANLR-SFHVURJKSA-N 1 0 399.495 -0.242 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C[C@H]1[NH3+] ZINC000423601581 1072542696 /nfs/dbraw/zinc/54/26/96/1072542696.db2.gz SMYNFYSTTIHPIG-DZUCGIPZSA-N 1 0 398.463 -0.032 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C[C@@H]1[NH3+] ZINC000423601582 1072542882 /nfs/dbraw/zinc/54/28/82/1072542882.db2.gz SMYNFYSTTIHPIG-ORQFMDKSSA-N 1 0 398.463 -0.032 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C[C@@H]1[NH3+] ZINC000423601584 1072543122 /nfs/dbraw/zinc/54/31/22/1072543122.db2.gz SMYNFYSTTIHPIG-SIXLDLHFSA-N 1 0 398.463 -0.032 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C[C@H]1[NH3+] ZINC000423601586 1072543154 /nfs/dbraw/zinc/54/31/54/1072543154.db2.gz SMYNFYSTTIHPIG-SVGFKBNWSA-N 1 0 398.463 -0.032 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423601876 1072548779 /nfs/dbraw/zinc/54/87/79/1072548779.db2.gz ZYEVKHAPBIJANO-ARFHVFGLSA-N 1 0 375.425 -0.412 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423601879 1072548584 /nfs/dbraw/zinc/54/85/84/1072548584.db2.gz ZYEVKHAPBIJANO-BZUAXINKSA-N 1 0 375.425 -0.412 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000423602276 1072542856 /nfs/dbraw/zinc/54/28/56/1072542856.db2.gz FWBCIOQTXUUFPC-AWEZNQCLSA-N 1 0 394.497 -0.224 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000423602277 1072543024 /nfs/dbraw/zinc/54/30/24/1072543024.db2.gz FWBCIOQTXUUFPC-CQSZACIVSA-N 1 0 394.497 -0.224 20 0 GBADRO COCCN(C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCCSC1 ZINC000423602648 1072542555 /nfs/dbraw/zinc/54/25/55/1072542555.db2.gz UEYHHRRLEQNQGL-CVEARBPZSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@H]1CCCSC1 ZINC000423602650 1072543167 /nfs/dbraw/zinc/54/31/67/1072543167.db2.gz UEYHHRRLEQNQGL-HOTGVXAUSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCCSC1 ZINC000423602653 1072542955 /nfs/dbraw/zinc/54/29/55/1072542955.db2.gz UEYHHRRLEQNQGL-HZPDHXFCSA-N 1 0 384.546 -0.137 20 0 GBADRO COCCN(C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCCSC1 ZINC000423602654 1072542731 /nfs/dbraw/zinc/54/27/31/1072542731.db2.gz UEYHHRRLEQNQGL-JKSUJKDBSA-N 1 0 384.546 -0.137 20 0 GBADRO Nc1nc(CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)nc2ccccc12 ZINC000423603060 1072542589 /nfs/dbraw/zinc/54/25/89/1072542589.db2.gz DNNINCBPXOUXKN-UHFFFAOYSA-N 1 0 397.483 -0.322 20 0 GBADRO CN(CC1(O)CCCCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423603384 1072543773 /nfs/dbraw/zinc/54/37/73/1072543773.db2.gz AUUGHOZGAVWPOA-HNNXBMFYSA-N 1 0 382.505 -0.156 20 0 GBADRO CN(CC1(O)CCCCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423603389 1072543430 /nfs/dbraw/zinc/54/34/30/1072543430.db2.gz AUUGHOZGAVWPOA-OAHLLOKOSA-N 1 0 382.505 -0.156 20 0 GBADRO COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423603538 1072543057 /nfs/dbraw/zinc/54/30/57/1072543057.db2.gz DZFIPBAQDMTPEB-ACJLOTCBSA-N 1 0 382.461 -0.898 20 0 GBADRO COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423603541 1072543139 /nfs/dbraw/zinc/54/31/39/1072543139.db2.gz DZFIPBAQDMTPEB-FZKQIMNGSA-N 1 0 382.461 -0.898 20 0 GBADRO COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423603543 1072542995 /nfs/dbraw/zinc/54/29/95/1072542995.db2.gz DZFIPBAQDMTPEB-SCLBCKFNSA-N 1 0 382.461 -0.898 20 0 GBADRO COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423603545 1072542543 /nfs/dbraw/zinc/54/25/43/1072542543.db2.gz DZFIPBAQDMTPEB-UGSOOPFHSA-N 1 0 382.461 -0.898 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000423603602 1072542583 /nfs/dbraw/zinc/54/25/83/1072542583.db2.gz IBLSFMDYLMMHDQ-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423603605 1072543090 /nfs/dbraw/zinc/54/30/90/1072543090.db2.gz IBLSFMDYLMMHDQ-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000423603606 1072543161 /nfs/dbraw/zinc/54/31/61/1072543161.db2.gz IBLSFMDYLMMHDQ-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423603608 1072543017 /nfs/dbraw/zinc/54/30/17/1072543017.db2.gz IBLSFMDYLMMHDQ-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423603614 1072542963 /nfs/dbraw/zinc/54/29/63/1072542963.db2.gz FEWRKLLCZUOKOR-DLBZAZTESA-N 1 0 396.532 -0.360 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423603616 1072543040 /nfs/dbraw/zinc/54/30/40/1072543040.db2.gz FEWRKLLCZUOKOR-IAGOWNOFSA-N 1 0 396.532 -0.360 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423603618 1072542757 /nfs/dbraw/zinc/54/27/57/1072542757.db2.gz FEWRKLLCZUOKOR-IRXDYDNUSA-N 1 0 396.532 -0.360 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423603620 1072543475 /nfs/dbraw/zinc/54/34/75/1072543475.db2.gz FEWRKLLCZUOKOR-SJORKVTESA-N 1 0 396.532 -0.360 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423603677 1072542775 /nfs/dbraw/zinc/54/27/75/1072542775.db2.gz ICWATIAQFPFWMF-KRWDZBQOSA-N 1 0 393.532 -0.256 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423603681 1072543070 /nfs/dbraw/zinc/54/30/70/1072543070.db2.gz ICWATIAQFPFWMF-QGZVFWFLSA-N 1 0 393.532 -0.256 20 0 GBADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)n1 ZINC000423604636 1072544064 /nfs/dbraw/zinc/54/40/64/1072544064.db2.gz INSPJWXYVDQSNU-KBPBESRZSA-N 1 0 394.476 -0.368 20 0 GBADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)n1 ZINC000423604638 1072544226 /nfs/dbraw/zinc/54/42/26/1072544226.db2.gz INSPJWXYVDQSNU-KGLIPLIRSA-N 1 0 394.476 -0.368 20 0 GBADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)n1 ZINC000423604640 1072543684 /nfs/dbraw/zinc/54/36/84/1072543684.db2.gz INSPJWXYVDQSNU-UONOGXRCSA-N 1 0 394.476 -0.368 20 0 GBADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)n1 ZINC000423604642 1072543722 /nfs/dbraw/zinc/54/37/22/1072543722.db2.gz INSPJWXYVDQSNU-ZIAGYGMSSA-N 1 0 394.476 -0.368 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(COC)COC)CC2)CC1 ZINC000423604917 1072544411 /nfs/dbraw/zinc/54/44/11/1072544411.db2.gz GMJHPCUCHRMHOE-UHFFFAOYSA-N 1 0 384.521 -0.360 20 0 GBADRO COc1ccc2c(c1)OCCN(C(=O)C(=O)N1CCN([C@H]3CC[NH2+]C3)CC1)C2 ZINC000423605039 1072544148 /nfs/dbraw/zinc/54/41/48/1072544148.db2.gz VMQVESJERNUDGJ-INIZCTEOSA-N 1 0 388.468 -0.078 20 0 GBADRO COc1ccc2c(c1)OCCN(C(=O)C(=O)N1CCN([C@@H]3CC[NH2+]C3)CC1)C2 ZINC000423605041 1072543497 /nfs/dbraw/zinc/54/34/97/1072543497.db2.gz VMQVESJERNUDGJ-MRXNPFEDSA-N 1 0 388.468 -0.078 20 0 GBADRO 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COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423606187 1072543814 /nfs/dbraw/zinc/54/38/14/1072543814.db2.gz HTRIODCFVKRENJ-LJQANCHMSA-N 1 0 382.505 -0.606 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000423606507 1072544391 /nfs/dbraw/zinc/54/43/91/1072544391.db2.gz ILESXJMGTAFOAK-UHFFFAOYSA-N 1 0 391.447 -0.270 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000423606524 1072544321 /nfs/dbraw/zinc/54/43/21/1072544321.db2.gz IMYHWECDZOPLAW-UHFFFAOYSA-N 1 0 391.447 -0.270 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000423606758 1072543614 /nfs/dbraw/zinc/54/36/14/1072543614.db2.gz LQXSUGIDAYWONS-GFCCVEGCSA-N 1 0 395.485 -0.211 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)s1 ZINC000423606759 1072544265 /nfs/dbraw/zinc/54/42/65/1072544265.db2.gz LQXSUGIDAYWONS-LBPRGKRZSA-N 1 0 395.485 -0.211 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000423607156 1072543887 /nfs/dbraw/zinc/54/38/87/1072543887.db2.gz MGXKFJYPGGEDQM-DZKIICNBSA-N 1 0 380.468 -0.389 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000423607159 1072544286 /nfs/dbraw/zinc/54/42/86/1072544286.db2.gz MGXKFJYPGGEDQM-YCPHGPKFSA-N 1 0 380.468 -0.389 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000423607998 1072544493 /nfs/dbraw/zinc/54/44/93/1072544493.db2.gz NEVXZZKDPYBJEG-CYBMUJFWSA-N 1 0 397.501 -0.951 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000423608006 1072544190 /nfs/dbraw/zinc/54/41/90/1072544190.db2.gz NEVXZZKDPYBJEG-ZDUSSCGKSA-N 1 0 397.501 -0.951 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(COC)COC)CC2)CC1 ZINC000423608183 1072544340 /nfs/dbraw/zinc/54/43/40/1072544340.db2.gz KHXAZAIYBPIJTL-UHFFFAOYSA-N 1 0 384.521 -0.360 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423608193 1072543446 /nfs/dbraw/zinc/54/34/46/1072543446.db2.gz KJOMBUMDWUCTQG-BHYGNILZSA-N 1 0 382.505 -0.622 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423608197 1072544247 /nfs/dbraw/zinc/54/42/47/1072544247.db2.gz KJOMBUMDWUCTQG-UAGQMJEPSA-N 1 0 382.505 -0.622 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423608199 1072545138 /nfs/dbraw/zinc/54/51/38/1072545138.db2.gz KJOMBUMDWUCTQG-USXIJHARSA-N 1 0 382.505 -0.622 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423608201 1072545217 /nfs/dbraw/zinc/54/52/17/1072545217.db2.gz KJOMBUMDWUCTQG-XIRDDKMYSA-N 1 0 382.505 -0.622 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423608277 1072545645 /nfs/dbraw/zinc/54/56/45/1072545645.db2.gz LQHLHECANSGJDK-KRWDZBQOSA-N 1 0 387.484 -0.020 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423608279 1072545271 /nfs/dbraw/zinc/54/52/71/1072545271.db2.gz LQHLHECANSGJDK-QGZVFWFLSA-N 1 0 387.484 -0.020 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423608588 1072543637 /nfs/dbraw/zinc/54/36/37/1072543637.db2.gz OAXJCQDDUCLPOI-CYBMUJFWSA-N 1 0 380.411 -0.080 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423608589 1072543790 /nfs/dbraw/zinc/54/37/90/1072543790.db2.gz OAXJCQDDUCLPOI-ZDUSSCGKSA-N 1 0 380.411 -0.080 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423608710 1072543913 /nfs/dbraw/zinc/54/39/13/1072543913.db2.gz OJVDXEUBHGEFGT-CABCVRRESA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423608712 1072544035 /nfs/dbraw/zinc/54/40/35/1072544035.db2.gz OJVDXEUBHGEFGT-GJZGRUSLSA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423608715 1072544476 /nfs/dbraw/zinc/54/44/76/1072544476.db2.gz OJVDXEUBHGEFGT-HUUCEWRRSA-N 1 0 379.505 -0.602 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423608716 1072543548 /nfs/dbraw/zinc/54/35/48/1072543548.db2.gz OJVDXEUBHGEFGT-LSDHHAIUSA-N 1 0 379.505 -0.602 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000423609113 1072544856 /nfs/dbraw/zinc/54/48/56/1072544856.db2.gz OOWNLDHRZKTCKN-INIZCTEOSA-N 1 0 388.468 -0.135 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000423609115 1072545057 /nfs/dbraw/zinc/54/50/57/1072545057.db2.gz OOWNLDHRZKTCKN-MRXNPFEDSA-N 1 0 388.468 -0.135 20 0 GBADRO O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423609256 1072545110 /nfs/dbraw/zinc/54/51/10/1072545110.db2.gz LCUBHJOEVYUAGQ-UHFFFAOYSA-N 1 0 392.431 -0.303 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423609295 1072545567 /nfs/dbraw/zinc/54/55/67/1072545567.db2.gz YNKFOOVEDJKOEM-QMTMVMCOSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423609296 1072544951 /nfs/dbraw/zinc/54/49/51/1072544951.db2.gz YNKFOOVEDJKOEM-SPYBWZPUSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423609297 1072545131 /nfs/dbraw/zinc/54/51/31/1072545131.db2.gz YNKFOOVEDJKOEM-YZVOILCLSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423609298 1072545664 /nfs/dbraw/zinc/54/56/64/1072545664.db2.gz YNKFOOVEDJKOEM-ZRGWGRIASA-N 1 0 381.473 -0.127 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423609515 1072545598 /nfs/dbraw/zinc/54/55/98/1072545598.db2.gz LWXYCTZYOLATDZ-GOSISDBHSA-N 1 0 396.532 -0.217 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423609517 1072545651 /nfs/dbraw/zinc/54/56/51/1072545651.db2.gz LWXYCTZYOLATDZ-SFHVURJKSA-N 1 0 396.532 -0.217 20 0 GBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423609528 1072545069 /nfs/dbraw/zinc/54/50/69/1072545069.db2.gz LZIMUYAXTDBBFC-QXULXFAOSA-N 1 0 380.489 -0.176 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423609540 1072545082 /nfs/dbraw/zinc/54/50/82/1072545082.db2.gz LZIMUYAXTDBBFC-VFSICIBPSA-N 1 0 380.489 -0.176 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423609801 1072545502 /nfs/dbraw/zinc/54/55/02/1072545502.db2.gz LPFSLRYBJSSSJT-HNNXBMFYSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423609802 1072545473 /nfs/dbraw/zinc/54/54/73/1072545473.db2.gz LPFSLRYBJSSSJT-OAHLLOKOSA-N 1 0 379.505 -0.600 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)NCc1ccccc1 ZINC000423609869 1072545550 /nfs/dbraw/zinc/54/55/50/1072545550.db2.gz LYYRKBYREJOTJM-UHFFFAOYSA-N 1 0 387.484 -0.731 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423609944 1072545349 /nfs/dbraw/zinc/54/53/49/1072545349.db2.gz MTPVNEOCZQOPBG-HNNXBMFYSA-N 1 0 394.497 -0.270 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423609945 1072545300 /nfs/dbraw/zinc/54/53/00/1072545300.db2.gz MTPVNEOCZQOPBG-OAHLLOKOSA-N 1 0 394.497 -0.270 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423610052 1072544881 /nfs/dbraw/zinc/54/48/81/1072544881.db2.gz QIMAZCDEIVARLJ-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423610055 1072544995 /nfs/dbraw/zinc/54/49/95/1072544995.db2.gz QIMAZCDEIVARLJ-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000423611289 1072545197 /nfs/dbraw/zinc/54/51/97/1072545197.db2.gz OFCSSRLBFONCIL-UHFFFAOYSA-N 1 0 396.532 -0.216 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000423611323 1072545632 /nfs/dbraw/zinc/54/56/32/1072545632.db2.gz NTWUZFZBSJISRO-UHFFFAOYSA-N 1 0 388.468 -0.133 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423611596 1072545095 /nfs/dbraw/zinc/54/50/95/1072545095.db2.gz SFBTUHDTXSYZAA-AWEZNQCLSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423611598 1072545169 /nfs/dbraw/zinc/54/51/69/1072545169.db2.gz SFBTUHDTXSYZAA-CQSZACIVSA-N 1 0 391.447 -0.271 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423611659 1072544904 /nfs/dbraw/zinc/54/49/04/1072544904.db2.gz SNBPOOLWQAMKEJ-INIZCTEOSA-N 1 0 387.484 -0.733 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423611660 1072545251 /nfs/dbraw/zinc/54/52/51/1072545251.db2.gz SNBPOOLWQAMKEJ-MRXNPFEDSA-N 1 0 387.484 -0.733 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)s1 ZINC000423612240 1072546446 /nfs/dbraw/zinc/54/64/46/1072546446.db2.gz OXRIVNKFTYRTBI-UHFFFAOYSA-N 1 0 395.485 -0.210 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@@H](C)O1 ZINC000423612345 1072546630 /nfs/dbraw/zinc/54/66/30/1072546630.db2.gz TYPMBLRDFBJIKC-BRWVUGGUSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000423612348 1072546679 /nfs/dbraw/zinc/54/66/79/1072546679.db2.gz TYPMBLRDFBJIKC-GVDBMIGSSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423612350 1072545921 /nfs/dbraw/zinc/54/59/21/1072545921.db2.gz TYPMBLRDFBJIKC-YESZJQIVSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000423612354 1072546058 /nfs/dbraw/zinc/54/60/58/1072546058.db2.gz TYPMBLRDFBJIKC-ZACQAIPSSA-N 1 0 396.532 -0.077 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000423612690 1072546519 /nfs/dbraw/zinc/54/65/19/1072546519.db2.gz ULOKYGMCPSBVFM-HNNXBMFYSA-N 1 0 394.497 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000423612693 1072546595 /nfs/dbraw/zinc/54/65/95/1072546595.db2.gz ULOKYGMCPSBVFM-OAHLLOKOSA-N 1 0 394.497 -0.352 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000423612703 1072544920 /nfs/dbraw/zinc/54/49/20/1072544920.db2.gz UMPQICLAZMKAOG-BRWVUGGUSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000423612708 1072544817 /nfs/dbraw/zinc/54/48/17/1072544817.db2.gz UMPQICLAZMKAOG-IKGGRYGDSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000423612709 1072545418 /nfs/dbraw/zinc/54/54/18/1072545418.db2.gz UMPQICLAZMKAOG-IXDOHACOSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000423612710 1072546092 /nfs/dbraw/zinc/54/60/92/1072546092.db2.gz UMPQICLAZMKAOG-ZACQAIPSSA-N 1 0 393.532 -0.354 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000423612776 1072546227 /nfs/dbraw/zinc/54/62/27/1072546227.db2.gz UTWWIWATTGAFGO-HNNXBMFYSA-N 1 0 388.468 -0.271 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000423612777 1072546406 /nfs/dbraw/zinc/54/64/06/1072546406.db2.gz UTWWIWATTGAFGO-OAHLLOKOSA-N 1 0 388.468 -0.271 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423612855 1072545013 /nfs/dbraw/zinc/54/50/13/1072545013.db2.gz UYSALOXEYOMXMK-AWEZNQCLSA-N 1 0 392.431 -0.304 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423612858 1072545616 /nfs/dbraw/zinc/54/56/16/1072545616.db2.gz UYSALOXEYOMXMK-CQSZACIVSA-N 1 0 392.431 -0.304 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)nc1 ZINC000423612892 1072545521 /nfs/dbraw/zinc/54/55/21/1072545521.db2.gz PXGCDCYLQQOPKC-UHFFFAOYSA-N 1 0 389.456 -0.271 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000423613023 1072544836 /nfs/dbraw/zinc/54/48/36/1072544836.db2.gz QPLVKLSTDXJESH-UHFFFAOYSA-N 1 0 382.486 -0.446 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)C1 ZINC000423613077 1072545404 /nfs/dbraw/zinc/54/54/04/1072545404.db2.gz QWOABXMXTVHNIT-BRWVUGGUSA-N 1 0 388.468 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000423613080 1072545364 /nfs/dbraw/zinc/54/53/64/1072545364.db2.gz QWOABXMXTVHNIT-IKGGRYGDSA-N 1 0 388.468 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000423613081 1072544938 /nfs/dbraw/zinc/54/49/38/1072544938.db2.gz QWOABXMXTVHNIT-IXDOHACOSA-N 1 0 388.468 -0.366 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)C1 ZINC000423613082 1072544967 /nfs/dbraw/zinc/54/49/67/1072544967.db2.gz QWOABXMXTVHNIT-ZACQAIPSSA-N 1 0 388.468 -0.366 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000423613338 1072546336 /nfs/dbraw/zinc/54/63/36/1072546336.db2.gz VMRAKCQZKCSEMQ-ILXRZTDVSA-N 1 0 378.452 -0.332 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000423613339 1072546734 /nfs/dbraw/zinc/54/67/34/1072546734.db2.gz VMRAKCQZKCSEMQ-KKUMJFAQSA-N 1 0 378.452 -0.332 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000423613775 1072546580 /nfs/dbraw/zinc/54/65/80/1072546580.db2.gz VXHMDNNQDCNQJD-AQFXKWCLSA-N 1 0 393.532 -0.354 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000423613776 1072546008 /nfs/dbraw/zinc/54/60/08/1072546008.db2.gz VXHMDNNQDCNQJD-CGZBRXJRSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000423613848 1072546307 /nfs/dbraw/zinc/54/63/07/1072546307.db2.gz WEDQDNQLFLYWMU-AWEZNQCLSA-N 1 0 398.467 -0.200 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000423613851 1072546034 /nfs/dbraw/zinc/54/60/34/1072546034.db2.gz WEDQDNQLFLYWMU-CQSZACIVSA-N 1 0 398.467 -0.200 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423613991 1072546080 /nfs/dbraw/zinc/54/60/80/1072546080.db2.gz WPFZEIDJOBVAHA-INIZCTEOSA-N 1 0 399.495 -0.460 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423613995 1072546172 /nfs/dbraw/zinc/54/61/72/1072546172.db2.gz WPFZEIDJOBVAHA-MRXNPFEDSA-N 1 0 399.495 -0.460 20 0 GBADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423614551 1072546477 /nfs/dbraw/zinc/54/64/77/1072546477.db2.gz SSGPIUDKTYCVOI-UHFFFAOYSA-N 1 0 394.497 -0.518 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12COC2 ZINC000423615062 1072546089 /nfs/dbraw/zinc/54/60/89/1072546089.db2.gz UBSUUZVLCQFPIA-IXXDHKBRSA-N 1 0 379.457 -0.234 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12COC2 ZINC000423615064 1072546076 /nfs/dbraw/zinc/54/60/76/1072546076.db2.gz UBSUUZVLCQFPIA-IZGVIRRGSA-N 1 0 379.457 -0.234 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000423615155 1072546044 /nfs/dbraw/zinc/54/60/44/1072546044.db2.gz ULEVWDROBXTTCH-UHFFFAOYSA-N 1 0 388.468 -0.270 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000423615563 1072546548 /nfs/dbraw/zinc/54/65/48/1072546548.db2.gz UUNWDGLEUKRHEV-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000423615564 1072546715 /nfs/dbraw/zinc/54/67/15/1072546715.db2.gz UUNWDGLEUKRHEV-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000423615565 1072546362 /nfs/dbraw/zinc/54/63/62/1072546362.db2.gz UUNWDGLEUKRHEV-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000423615566 1072546153 /nfs/dbraw/zinc/54/61/53/1072546153.db2.gz UUNWDGLEUKRHEV-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423615682 1072546109 /nfs/dbraw/zinc/54/61/09/1072546109.db2.gz UONCSIRBRWFQPX-UHFFFAOYSA-N 1 0 396.532 -0.217 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)CC1 ZINC000423616588 1072546275 /nfs/dbraw/zinc/54/62/75/1072546275.db2.gz WILUHVCZBKBYCS-UHFFFAOYSA-N 1 0 393.532 -0.353 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000423617161 1072547267 /nfs/dbraw/zinc/54/72/67/1072547267.db2.gz XBUZMOSHJXOCDS-UHFFFAOYSA-N 1 0 394.497 -0.350 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423618082 1072545996 /nfs/dbraw/zinc/54/59/96/1072545996.db2.gz HCINFWWOPGPRCQ-AWEZNQCLSA-N 1 0 395.485 -0.746 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423618083 1072546619 /nfs/dbraw/zinc/54/66/19/1072546619.db2.gz HCINFWWOPGPRCQ-CQSZACIVSA-N 1 0 395.485 -0.746 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423618413 1072547824 /nfs/dbraw/zinc/54/78/24/1072547824.db2.gz YUKDTVYKNKAREP-UHFFFAOYSA-N 1 0 376.432 -0.139 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000423618421 1072547527 /nfs/dbraw/zinc/54/75/27/1072547527.db2.gz YVYUDHAWBQENME-UHFFFAOYSA-N 1 0 399.495 -0.458 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423619888 1072547721 /nfs/dbraw/zinc/54/77/21/1072547721.db2.gz ZBIHVZWLJQSZOL-KRWDZBQOSA-N 1 0 396.532 -0.360 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423619892 1072547198 /nfs/dbraw/zinc/54/71/98/1072547198.db2.gz ZBIHVZWLJQSZOL-QGZVFWFLSA-N 1 0 396.532 -0.360 20 0 GBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423620619 1072551466 /nfs/dbraw/zinc/55/14/66/1072551466.db2.gz JWGRTAKKTVVASL-INIZCTEOSA-N 1 0 398.504 -0.561 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423620621 1072551483 /nfs/dbraw/zinc/55/14/83/1072551483.db2.gz JWGRTAKKTVVASL-MRXNPFEDSA-N 1 0 398.504 -0.561 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423622091 1072551938 /nfs/dbraw/zinc/55/19/38/1072551938.db2.gz YQJLSERUXYXGOV-AWEZNQCLSA-N 1 0 395.485 -0.875 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423622092 1072551832 /nfs/dbraw/zinc/55/18/32/1072551832.db2.gz YQJLSERUXYXGOV-CQSZACIVSA-N 1 0 395.485 -0.875 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423622585 1072551704 /nfs/dbraw/zinc/55/17/04/1072551704.db2.gz ZEUMFRFXNFMVPX-INIZCTEOSA-N 1 0 389.500 -0.200 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423622587 1072551566 /nfs/dbraw/zinc/55/15/66/1072551566.db2.gz ZEUMFRFXNFMVPX-MRXNPFEDSA-N 1 0 389.500 -0.200 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423622825 1072551860 /nfs/dbraw/zinc/55/18/60/1072551860.db2.gz NEVVWNCQGUGPRY-DOTOQJQBSA-N 1 0 393.532 -0.082 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423622829 1072551773 /nfs/dbraw/zinc/55/17/73/1072551773.db2.gz NEVVWNCQGUGPRY-NVXWUHKLSA-N 1 0 393.532 -0.082 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423622830 1072551941 /nfs/dbraw/zinc/55/19/41/1072551941.db2.gz NEVVWNCQGUGPRY-RDJZCZTQSA-N 1 0 393.532 -0.082 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423622831 1072551799 /nfs/dbraw/zinc/55/17/99/1072551799.db2.gz NEVVWNCQGUGPRY-WBVHZDCISA-N 1 0 393.532 -0.082 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423623044 1072551946 /nfs/dbraw/zinc/55/19/46/1072551946.db2.gz BHLVITKSYVPIFS-CVEARBPZSA-N 1 0 387.484 -0.022 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423623045 1072551674 /nfs/dbraw/zinc/55/16/74/1072551674.db2.gz BHLVITKSYVPIFS-HOTGVXAUSA-N 1 0 387.484 -0.022 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423623046 1072551888 /nfs/dbraw/zinc/55/18/88/1072551888.db2.gz BHLVITKSYVPIFS-HZPDHXFCSA-N 1 0 387.484 -0.022 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423623047 1072551499 /nfs/dbraw/zinc/55/14/99/1072551499.db2.gz BHLVITKSYVPIFS-JKSUJKDBSA-N 1 0 387.484 -0.022 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000423623285 530356605 /nfs/dbraw/zinc/35/66/05/530356605.db2.gz NZELVVOVFPUXBG-KBPBESRZSA-N 1 0 376.523 -0.299 20 0 GBADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000423623286 530356610 /nfs/dbraw/zinc/35/66/10/530356610.db2.gz NZELVVOVFPUXBG-KGLIPLIRSA-N 1 0 376.523 -0.299 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000423623287 530356574 /nfs/dbraw/zinc/35/65/74/530356574.db2.gz NZELVVOVFPUXBG-UONOGXRCSA-N 1 0 376.523 -0.299 20 0 GBADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000423623288 530356588 /nfs/dbraw/zinc/35/65/88/530356588.db2.gz NZELVVOVFPUXBG-ZIAGYGMSSA-N 1 0 376.523 -0.299 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)n1 ZINC000423625004 1072553098 /nfs/dbraw/zinc/55/30/98/1072553098.db2.gz CJFLTOSZKSYIPB-NEPJUHHUSA-N 1 0 392.460 -0.104 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)n1 ZINC000423625005 1072553101 /nfs/dbraw/zinc/55/31/01/1072553101.db2.gz CJFLTOSZKSYIPB-NWDGAFQWSA-N 1 0 392.460 -0.104 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)n1 ZINC000423625006 1072553120 /nfs/dbraw/zinc/55/31/20/1072553120.db2.gz CJFLTOSZKSYIPB-RYUDHWBXSA-N 1 0 392.460 -0.104 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)n1 ZINC000423625007 1072552819 /nfs/dbraw/zinc/55/28/19/1072552819.db2.gz CJFLTOSZKSYIPB-VXGBXAGGSA-N 1 0 392.460 -0.104 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423625340 1072552442 /nfs/dbraw/zinc/55/24/42/1072552442.db2.gz CUVWAVJIKFBRRI-IHRRRGAJSA-N 1 0 376.461 -0.698 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423625341 1072552339 /nfs/dbraw/zinc/55/23/39/1072552339.db2.gz CUVWAVJIKFBRRI-MCIONIFRSA-N 1 0 376.461 -0.698 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423625343 1072553005 /nfs/dbraw/zinc/55/30/05/1072553005.db2.gz CUVWAVJIKFBRRI-MJBXVCDLSA-N 1 0 376.461 -0.698 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423625344 1072552731 /nfs/dbraw/zinc/55/27/31/1072552731.db2.gz CUVWAVJIKFBRRI-RDBSUJKOSA-N 1 0 376.461 -0.698 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423625604 1072552927 /nfs/dbraw/zinc/55/29/27/1072552927.db2.gz RGUJJAWNOVOQDU-KRWDZBQOSA-N 1 0 393.532 -0.081 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423625609 1072552661 /nfs/dbraw/zinc/55/26/61/1072552661.db2.gz RGUJJAWNOVOQDU-QGZVFWFLSA-N 1 0 393.532 -0.081 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)[C@H](C)C[NH2+]1 ZINC000423626143 1072552454 /nfs/dbraw/zinc/55/24/54/1072552454.db2.gz FICVCGAWRVLWTA-CHWSQXEVSA-N 1 0 398.485 -0.620 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C[NH2+]1 ZINC000423626146 1072553034 /nfs/dbraw/zinc/55/30/34/1072553034.db2.gz FICVCGAWRVLWTA-OLZOCXBDSA-N 1 0 398.485 -0.620 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000423626147 1072553025 /nfs/dbraw/zinc/55/30/25/1072553025.db2.gz FICVCGAWRVLWTA-QWHCGFSZSA-N 1 0 398.485 -0.620 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C[NH2+]1 ZINC000423626150 1072552354 /nfs/dbraw/zinc/55/23/54/1072552354.db2.gz FICVCGAWRVLWTA-STQMWFEESA-N 1 0 398.485 -0.620 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423627062 1072553147 /nfs/dbraw/zinc/55/31/47/1072553147.db2.gz HTLPDQXDVNBOSJ-BZUAXINKSA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423627067 1072552882 /nfs/dbraw/zinc/55/28/82/1072552882.db2.gz HTLPDQXDVNBOSJ-OAGGEKHMSA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423627072 1072552539 /nfs/dbraw/zinc/55/25/39/1072552539.db2.gz HTLPDQXDVNBOSJ-OWCLPIDISA-N 1 0 393.532 -0.213 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423627073 1072552937 /nfs/dbraw/zinc/55/29/37/1072552937.db2.gz HTLPDQXDVNBOSJ-PMPSAXMXSA-N 1 0 393.532 -0.213 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])C2)nn1 ZINC000423627567 1072552835 /nfs/dbraw/zinc/55/28/35/1072552835.db2.gz UUDXLXUCRDNIQK-CHWSQXEVSA-N 1 0 378.433 -0.432 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])C2)nn1 ZINC000423627568 1072552996 /nfs/dbraw/zinc/55/29/96/1072552996.db2.gz UUDXLXUCRDNIQK-OLZOCXBDSA-N 1 0 378.433 -0.432 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])C2)nn1 ZINC000423627569 1072552649 /nfs/dbraw/zinc/55/26/49/1072552649.db2.gz UUDXLXUCRDNIQK-QWHCGFSZSA-N 1 0 378.433 -0.432 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])C2)nn1 ZINC000423627570 1072553016 /nfs/dbraw/zinc/55/30/16/1072553016.db2.gz UUDXLXUCRDNIQK-STQMWFEESA-N 1 0 378.433 -0.432 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627772 1072552952 /nfs/dbraw/zinc/55/29/52/1072552952.db2.gz JBEFYSKBEGUBSY-KBPBESRZSA-N 1 0 395.485 -0.877 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627773 1072552971 /nfs/dbraw/zinc/55/29/71/1072552971.db2.gz JBEFYSKBEGUBSY-KGLIPLIRSA-N 1 0 395.485 -0.877 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000423627775 1072553066 /nfs/dbraw/zinc/55/30/66/1072553066.db2.gz JBEFYSKBEGUBSY-UONOGXRCSA-N 1 0 395.485 -0.877 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)[C@H](C)C[NH2+]1 ZINC000423627777 1072553128 /nfs/dbraw/zinc/55/31/28/1072553128.db2.gz JBEFYSKBEGUBSY-ZIAGYGMSSA-N 1 0 395.485 -0.877 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)no1 ZINC000423628028 1072552776 /nfs/dbraw/zinc/55/27/76/1072552776.db2.gz JOTWBRUOBMHGSM-NEPJUHHUSA-N 1 0 377.445 0.369 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)no1 ZINC000423628029 1072552757 /nfs/dbraw/zinc/55/27/57/1072552757.db2.gz JOTWBRUOBMHGSM-NWDGAFQWSA-N 1 0 377.445 0.369 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)no1 ZINC000423628030 1072552621 /nfs/dbraw/zinc/55/26/21/1072552621.db2.gz JOTWBRUOBMHGSM-RYUDHWBXSA-N 1 0 377.445 0.369 20 0 GBADRO Cc1cc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)no1 ZINC000423628031 1072552399 /nfs/dbraw/zinc/55/23/99/1072552399.db2.gz JOTWBRUOBMHGSM-VXGBXAGGSA-N 1 0 377.445 0.369 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000423628262 1072549744 /nfs/dbraw/zinc/54/97/44/1072549744.db2.gz VZLHQHGKHNMFLV-DZGCQCFKSA-N 1 0 376.461 -0.567 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1C(=O)c1cnn(C)c1 ZINC000423628279 1072549718 /nfs/dbraw/zinc/54/97/18/1072549718.db2.gz VZLHQHGKHNMFLV-ZFWWWQNUSA-N 1 0 376.461 -0.567 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)[C@@H](C[NH3+])C1 ZINC000423628603 1072549333 /nfs/dbraw/zinc/54/93/33/1072549333.db2.gz ANRIVPUGFGLHEB-CVEARBPZSA-N 1 0 392.431 -0.034 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)[C@H](C[NH3+])C1 ZINC000423628605 1072549299 /nfs/dbraw/zinc/54/92/99/1072549299.db2.gz ANRIVPUGFGLHEB-HOTGVXAUSA-N 1 0 392.431 -0.034 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)[C@@H](C[NH3+])C1 ZINC000423628606 1072549378 /nfs/dbraw/zinc/54/93/78/1072549378.db2.gz ANRIVPUGFGLHEB-HZPDHXFCSA-N 1 0 392.431 -0.034 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)[C@H](C[NH3+])C1 ZINC000423628608 1072549690 /nfs/dbraw/zinc/54/96/90/1072549690.db2.gz ANRIVPUGFGLHEB-JKSUJKDBSA-N 1 0 392.431 -0.034 20 0 GBADRO O=C(C(=O)N1CCN(CC(F)(F)F)C(=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423631181 1072549733 /nfs/dbraw/zinc/54/97/33/1072549733.db2.gz GGGIXHKCTJUJIZ-UHFFFAOYSA-N 1 0 376.379 -0.178 20 0 GBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423632275 1072549650 /nfs/dbraw/zinc/54/96/50/1072549650.db2.gz JDJFXAISHFQGNQ-HNNXBMFYSA-N 1 0 380.489 -0.316 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423632278 1072549147 /nfs/dbraw/zinc/54/91/47/1072549147.db2.gz JDJFXAISHFQGNQ-OAHLLOKOSA-N 1 0 380.489 -0.316 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423632363 1072549473 /nfs/dbraw/zinc/54/94/73/1072549473.db2.gz JLFWUQHJCOCAAO-FGTMMUONSA-N 1 0 399.495 -0.290 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423632364 1072549583 /nfs/dbraw/zinc/54/95/83/1072549583.db2.gz JLFWUQHJCOCAAO-KSZLIROESA-N 1 0 399.495 -0.290 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423634177 1072549697 /nfs/dbraw/zinc/54/96/97/1072549697.db2.gz MPOAXUMTAUKGPV-DYESRHJHSA-N 1 0 399.495 -0.431 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423634180 1072549209 /nfs/dbraw/zinc/54/92/09/1072549209.db2.gz MPOAXUMTAUKGPV-LAUBAEHRSA-N 1 0 399.495 -0.431 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423634182 1072549513 /nfs/dbraw/zinc/54/95/13/1072549513.db2.gz MPOAXUMTAUKGPV-UTKZUKDTSA-N 1 0 399.495 -0.431 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423634184 1072549365 /nfs/dbraw/zinc/54/93/65/1072549365.db2.gz MPOAXUMTAUKGPV-UWJYYQICSA-N 1 0 399.495 -0.431 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C)C[NH2+]1 ZINC000423634681 1072549609 /nfs/dbraw/zinc/54/96/09/1072549609.db2.gz QXMNXGKTTLKMQN-CHWSQXEVSA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423634684 1072549405 /nfs/dbraw/zinc/54/94/05/1072549405.db2.gz QXMNXGKTTLKMQN-OLZOCXBDSA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000423634687 1072549266 /nfs/dbraw/zinc/54/92/66/1072549266.db2.gz QXMNXGKTTLKMQN-QWHCGFSZSA-N 1 0 386.460 -0.779 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423634691 1072549530 /nfs/dbraw/zinc/54/95/30/1072549530.db2.gz QXMNXGKTTLKMQN-STQMWFEESA-N 1 0 386.460 -0.779 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000423634796 1072549925 /nfs/dbraw/zinc/54/99/25/1072549925.db2.gz DFIVRONACHZOKO-GOSISDBHSA-N 1 0 390.532 -0.104 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000423634797 1072549806 /nfs/dbraw/zinc/54/98/06/1072549806.db2.gz DFIVRONACHZOKO-SFHVURJKSA-N 1 0 390.532 -0.104 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000423635837 1072549441 /nfs/dbraw/zinc/54/94/41/1072549441.db2.gz RUMVSZGFBUBZBT-GJZGRUSLSA-N 1 0 396.513 -0.059 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000423635838 1072549888 /nfs/dbraw/zinc/54/98/88/1072549888.db2.gz RUMVSZGFBUBZBT-HUUCEWRRSA-N 1 0 396.513 -0.059 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000423635839 1072549565 /nfs/dbraw/zinc/54/95/65/1072549565.db2.gz RUMVSZGFBUBZBT-LSDHHAIUSA-N 1 0 396.513 -0.059 20 0 GBADRO CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423635959 1072549319 /nfs/dbraw/zinc/54/93/19/1072549319.db2.gz SALDIMTXZWUODW-DLBZAZTESA-N 1 0 390.484 -0.638 20 0 GBADRO CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423635963 1072549100 /nfs/dbraw/zinc/54/91/00/1072549100.db2.gz SALDIMTXZWUODW-IAGOWNOFSA-N 1 0 390.484 -0.638 20 0 GBADRO CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423635965 1072549911 /nfs/dbraw/zinc/54/99/11/1072549911.db2.gz SALDIMTXZWUODW-IRXDYDNUSA-N 1 0 390.484 -0.638 20 0 GBADRO CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423635968 1072549348 /nfs/dbraw/zinc/54/93/48/1072549348.db2.gz SALDIMTXZWUODW-SJORKVTESA-N 1 0 390.484 -0.638 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423636086 1072549881 /nfs/dbraw/zinc/54/98/81/1072549881.db2.gz AYQXOMBFQKRXQQ-GDBMZVCRSA-N 1 0 379.505 -0.472 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423636088 1072549160 /nfs/dbraw/zinc/54/91/60/1072549160.db2.gz AYQXOMBFQKRXQQ-GOEBONIOSA-N 1 0 379.505 -0.472 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC12COC2 ZINC000423638684 1072549762 /nfs/dbraw/zinc/54/97/62/1072549762.db2.gz TUOAMVKXXHLBOU-AWEZNQCLSA-N 1 0 379.457 -0.373 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC12COC2 ZINC000423638685 1072550472 /nfs/dbraw/zinc/55/04/72/1072550472.db2.gz TUOAMVKXXHLBOU-CQSZACIVSA-N 1 0 379.457 -0.373 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000423639121 1072550342 /nfs/dbraw/zinc/55/03/42/1072550342.db2.gz UGLHKRWHDSTBBJ-KFWWJZLASA-N 1 0 398.529 -0.340 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000423639122 1072550381 /nfs/dbraw/zinc/55/03/81/1072550381.db2.gz UGLHKRWHDSTBBJ-SOUVJXGZSA-N 1 0 398.529 -0.340 20 0 GBADRO CCCN(C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423639412 1072550627 /nfs/dbraw/zinc/55/06/27/1072550627.db2.gz FOKUBLJYCJSJBC-CABCVRRESA-N 1 0 386.518 -0.387 20 0 GBADRO CCCN(C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423639415 1072550267 /nfs/dbraw/zinc/55/02/67/1072550267.db2.gz FOKUBLJYCJSJBC-GJZGRUSLSA-N 1 0 386.518 -0.387 20 0 GBADRO CCCN(C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423639416 1072550637 /nfs/dbraw/zinc/55/06/37/1072550637.db2.gz FOKUBLJYCJSJBC-HUUCEWRRSA-N 1 0 386.518 -0.387 20 0 GBADRO CCCN(C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423639418 1072550691 /nfs/dbraw/zinc/55/06/91/1072550691.db2.gz FOKUBLJYCJSJBC-LSDHHAIUSA-N 1 0 386.518 -0.387 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000423639896 1072550663 /nfs/dbraw/zinc/55/06/63/1072550663.db2.gz GCVPYSRKGGJWGW-OFLPRAFFSA-N 1 0 393.532 -0.225 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423640582 1072550654 /nfs/dbraw/zinc/55/06/54/1072550654.db2.gz GUOZDSHZAIAWQD-BEFAXECRSA-N 1 0 380.489 -0.437 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423640585 1072550826 /nfs/dbraw/zinc/55/08/26/1072550826.db2.gz GUOZDSHZAIAWQD-DNVCBOLYSA-N 1 0 380.489 -0.437 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423640587 1072550587 /nfs/dbraw/zinc/55/05/87/1072550587.db2.gz GUOZDSHZAIAWQD-HNAYVOBHSA-N 1 0 380.489 -0.437 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423640589 1072550743 /nfs/dbraw/zinc/55/07/43/1072550743.db2.gz GUOZDSHZAIAWQD-KXBFYZLASA-N 1 0 380.489 -0.437 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000423641945 1072550701 /nfs/dbraw/zinc/55/07/01/1072550701.db2.gz JPJMZFUWNLIASD-ULQDDVLXSA-N 1 0 393.532 -0.545 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423642906 1072550800 /nfs/dbraw/zinc/55/08/00/1072550800.db2.gz BYZOMROZMHVFLV-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423642907 1072550797 /nfs/dbraw/zinc/55/07/97/1072550797.db2.gz BYZOMROZMHVFLV-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423642908 1072550363 /nfs/dbraw/zinc/55/03/63/1072550363.db2.gz BYZOMROZMHVFLV-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423642909 1072550759 /nfs/dbraw/zinc/55/07/59/1072550759.db2.gz BYZOMROZMHVFLV-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423644004 1072550598 /nfs/dbraw/zinc/55/05/98/1072550598.db2.gz NWNMETUFOUEXLT-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000423644902 1072550750 /nfs/dbraw/zinc/55/07/50/1072550750.db2.gz KDSKKZYDRAEDGJ-MRXNPFEDSA-N 1 0 388.468 -0.142 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423645478 1072551956 /nfs/dbraw/zinc/55/19/56/1072551956.db2.gz YRLHQPXAWBNPDK-CVEARBPZSA-N 1 0 393.532 -0.402 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423645479 1072551981 /nfs/dbraw/zinc/55/19/81/1072551981.db2.gz YRLHQPXAWBNPDK-HOTGVXAUSA-N 1 0 393.532 -0.402 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)[C@H](C)C[NH2+]1 ZINC000423645480 1072551870 /nfs/dbraw/zinc/55/18/70/1072551870.db2.gz YRLHQPXAWBNPDK-HZPDHXFCSA-N 1 0 393.532 -0.402 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000423645481 1072551337 /nfs/dbraw/zinc/55/13/37/1072551337.db2.gz YRLHQPXAWBNPDK-JKSUJKDBSA-N 1 0 393.532 -0.402 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1)C1CCCCC1 ZINC000423645861 1072552013 /nfs/dbraw/zinc/55/20/13/1072552013.db2.gz LEYFEEJTVVMCEY-QGZVFWFLSA-N 1 0 393.532 -0.129 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423646113 1072551308 /nfs/dbraw/zinc/55/13/08/1072551308.db2.gz SWGUOQCCMNZFHF-DZGCQCFKSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423646114 1072551287 /nfs/dbraw/zinc/55/12/87/1072551287.db2.gz SWGUOQCCMNZFHF-ZFWWWQNUSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423646166 1072551806 /nfs/dbraw/zinc/55/18/06/1072551806.db2.gz TYPMBLRDFBJIKC-ULQDDVLXSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423646209 1072551905 /nfs/dbraw/zinc/55/19/05/1072551905.db2.gz ZFQKCWHLNQVYBK-BFYDXBDKSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423646211 1072551226 /nfs/dbraw/zinc/55/12/26/1072551226.db2.gz ZFQKCWHLNQVYBK-HLLBOEOZSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423646212 1072551532 /nfs/dbraw/zinc/55/15/32/1072551532.db2.gz ZFQKCWHLNQVYBK-INMHGKMJSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423646216 1072551379 /nfs/dbraw/zinc/55/13/79/1072551379.db2.gz ZFQKCWHLNQVYBK-VYDXJSESSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000423646239 1072551648 /nfs/dbraw/zinc/55/16/48/1072551648.db2.gz UMPQICLAZMKAOG-ULQDDVLXSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000423646240 1072551273 /nfs/dbraw/zinc/55/12/73/1072551273.db2.gz UMPQICLAZMKAOG-YESZJQIVSA-N 1 0 393.532 -0.354 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423646349 1072551240 /nfs/dbraw/zinc/55/12/40/1072551240.db2.gz LUZNACITCKGACR-QGZVFWFLSA-N 1 0 399.495 -0.330 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000423646529 1072551847 /nfs/dbraw/zinc/55/18/47/1072551847.db2.gz UZEMVYSAQRZAFP-ZDUSSCGKSA-N 1 0 388.424 -0.480 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1)[C@H]1CC[NH2+]C1 ZINC000423648335 1072560031 /nfs/dbraw/zinc/56/00/31/1072560031.db2.gz NYJZOZQEFDOSOJ-AWEZNQCLSA-N 1 0 386.460 -0.627 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1)[C@@H]1CC[NH2+]C1 ZINC000423648342 1072559826 /nfs/dbraw/zinc/55/98/26/1072559826.db2.gz NYJZOZQEFDOSOJ-CQSZACIVSA-N 1 0 386.460 -0.627 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)C2)nn1 ZINC000423648496 1072553053 /nfs/dbraw/zinc/55/30/53/1072553053.db2.gz IVUJYHAGJQYOEJ-FRRDWIJNSA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)C2)nn1 ZINC000423648501 1072552482 /nfs/dbraw/zinc/55/24/82/1072552482.db2.gz IVUJYHAGJQYOEJ-JHJVBQTASA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)C2)nn1 ZINC000423648504 1072553083 /nfs/dbraw/zinc/55/30/83/1072553083.db2.gz IVUJYHAGJQYOEJ-RWMBFGLXSA-N 1 0 378.433 -0.563 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)C2)nn1 ZINC000423648510 1072552596 /nfs/dbraw/zinc/55/25/96/1072552596.db2.gz IVUJYHAGJQYOEJ-YNEHKIRRSA-N 1 0 378.433 -0.563 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423648645 1072559273 /nfs/dbraw/zinc/55/92/73/1072559273.db2.gz OJWGIYMNNXPPAN-GOEBONIOSA-N 1 0 390.488 -0.307 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423648662 1072559557 /nfs/dbraw/zinc/55/95/57/1072559557.db2.gz OJWGIYMNNXPPAN-HOCLYGCPSA-N 1 0 390.488 -0.307 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000423650045 1072553768 /nfs/dbraw/zinc/55/37/68/1072553768.db2.gz JPJMZFUWNLIASD-YESZJQIVSA-N 1 0 393.532 -0.545 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423651164 1072554292 /nfs/dbraw/zinc/55/42/92/1072554292.db2.gz NWNMETUFOUEXLT-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)n1 ZINC000423651644 1072553734 /nfs/dbraw/zinc/55/37/34/1072553734.db2.gz MLWLLXUWCVGKDR-CHWSQXEVSA-N 1 0 380.449 -0.931 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)n1 ZINC000423651647 1072554324 /nfs/dbraw/zinc/55/43/24/1072554324.db2.gz MLWLLXUWCVGKDR-OLZOCXBDSA-N 1 0 380.449 -0.931 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)n1 ZINC000423651649 1072554038 /nfs/dbraw/zinc/55/40/38/1072554038.db2.gz MLWLLXUWCVGKDR-QWHCGFSZSA-N 1 0 380.449 -0.931 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)n1 ZINC000423651651 1072553795 /nfs/dbraw/zinc/55/37/95/1072553795.db2.gz MLWLLXUWCVGKDR-STQMWFEESA-N 1 0 380.449 -0.931 20 0 GBADRO CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423651972 1072553520 /nfs/dbraw/zinc/55/35/20/1072553520.db2.gz WQIURYKHDOGXQJ-CYBMUJFWSA-N 1 0 397.501 -0.822 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423652355 1072553535 /nfs/dbraw/zinc/55/35/35/1072553535.db2.gz SWGUOQCCMNZFHF-HIFRSBDPSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000423652356 1072553909 /nfs/dbraw/zinc/55/39/09/1072553909.db2.gz SWGUOQCCMNZFHF-UKRRQHHQSA-N 1 0 386.518 -0.340 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423652371 1072554197 /nfs/dbraw/zinc/55/41/97/1072554197.db2.gz TYPMBLRDFBJIKC-IKGGRYGDSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000423652403 1072554134 /nfs/dbraw/zinc/55/41/34/1072554134.db2.gz UMPQICLAZMKAOG-BBWFWOEESA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000423652404 1072553419 /nfs/dbraw/zinc/55/34/19/1072553419.db2.gz UMPQICLAZMKAOG-GVDBMIGSSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000423652428 1072553936 /nfs/dbraw/zinc/55/39/36/1072553936.db2.gz UZEMVYSAQRZAFP-CYBMUJFWSA-N 1 0 388.424 -0.480 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000423652611 1072554108 /nfs/dbraw/zinc/55/41/08/1072554108.db2.gz NSOPKYCJCHKSPW-CABCVRRESA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000423652612 1072553761 /nfs/dbraw/zinc/55/37/61/1072553761.db2.gz NSOPKYCJCHKSPW-GJZGRUSLSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000423652613 1072553469 /nfs/dbraw/zinc/55/34/69/1072553469.db2.gz NSOPKYCJCHKSPW-HUUCEWRRSA-N 1 0 396.513 -0.073 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000423652614 1072553591 /nfs/dbraw/zinc/55/35/91/1072553591.db2.gz NSOPKYCJCHKSPW-LSDHHAIUSA-N 1 0 396.513 -0.073 20 0 GBADRO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423652728 1072553981 /nfs/dbraw/zinc/55/39/81/1072553981.db2.gz WKEOZIRGZGNYRB-RZQQEMMASA-N 1 0 389.452 -0.022 20 0 GBADRO COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423652729 1072553658 /nfs/dbraw/zinc/55/36/58/1072553658.db2.gz WKEOZIRGZGNYRB-YRNRMSPPSA-N 1 0 389.452 -0.022 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423652858 1072554156 /nfs/dbraw/zinc/55/41/56/1072554156.db2.gz NXQCKZDWJMEDEG-ARFHVFGLSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423652860 1072553635 /nfs/dbraw/zinc/55/36/35/1072553635.db2.gz NXQCKZDWJMEDEG-BZUAXINKSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423652862 1072553893 /nfs/dbraw/zinc/55/38/93/1072553893.db2.gz NXQCKZDWJMEDEG-OAGGEKHMSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423652863 1072553564 /nfs/dbraw/zinc/55/35/64/1072553564.db2.gz NXQCKZDWJMEDEG-XHSDSOJGSA-N 1 0 393.532 -0.226 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423653197 1072554935 /nfs/dbraw/zinc/55/49/35/1072554935.db2.gz OPGGWNWXMHNKQV-BRWVUGGUSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423653200 1072554562 /nfs/dbraw/zinc/55/45/62/1072554562.db2.gz OPGGWNWXMHNKQV-IKGGRYGDSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423653201 1072554627 /nfs/dbraw/zinc/55/46/27/1072554627.db2.gz OPGGWNWXMHNKQV-IXDOHACOSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000423653203 1072555110 /nfs/dbraw/zinc/55/51/10/1072555110.db2.gz OPGGWNWXMHNKQV-ZACQAIPSSA-N 1 0 393.532 -0.273 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC(CCCO)CC1 ZINC000423653849 1072553528 /nfs/dbraw/zinc/55/35/28/1072553528.db2.gz AASIYHXUWJMGOJ-INIZCTEOSA-N 1 0 382.505 -0.156 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC(CCCO)CC1 ZINC000423653851 1072553510 /nfs/dbraw/zinc/55/35/10/1072553510.db2.gz AASIYHXUWJMGOJ-MRXNPFEDSA-N 1 0 382.505 -0.156 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000423653912 1072554051 /nfs/dbraw/zinc/55/40/51/1072554051.db2.gz ABVGDZOZMDVVBI-CYBMUJFWSA-N 1 0 389.447 -0.758 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000423653915 1072553553 /nfs/dbraw/zinc/55/35/53/1072553553.db2.gz ABVGDZOZMDVVBI-ZDUSSCGKSA-N 1 0 389.447 -0.758 20 0 GBADRO CCC1(CO)CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423654363 1072555208 /nfs/dbraw/zinc/55/52/08/1072555208.db2.gz ANKPJVOHATYNBW-HNNXBMFYSA-N 1 0 382.505 -0.156 20 0 GBADRO CCC1(CO)CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423654364 1072554890 /nfs/dbraw/zinc/55/48/90/1072554890.db2.gz ANKPJVOHATYNBW-OAHLLOKOSA-N 1 0 382.505 -0.156 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423654425 1072554901 /nfs/dbraw/zinc/55/49/01/1072554901.db2.gz QOHRWWLXQCGPFJ-CABCVRRESA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423654426 1072554928 /nfs/dbraw/zinc/55/49/28/1072554928.db2.gz QOHRWWLXQCGPFJ-GJZGRUSLSA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423654427 1072555126 /nfs/dbraw/zinc/55/51/26/1072555126.db2.gz QOHRWWLXQCGPFJ-HUUCEWRRSA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000423654428 1072554879 /nfs/dbraw/zinc/55/48/79/1072554879.db2.gz QOHRWWLXQCGPFJ-LSDHHAIUSA-N 1 0 394.497 -0.285 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423654899 1072555072 /nfs/dbraw/zinc/55/50/72/1072555072.db2.gz RKLWWLSEHQQGPM-HZSPNIEDSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423654900 1072554862 /nfs/dbraw/zinc/55/48/62/1072554862.db2.gz RKLWWLSEHQQGPM-MCIONIFRSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423654901 1072555004 /nfs/dbraw/zinc/55/50/04/1072555004.db2.gz RKLWWLSEHQQGPM-MGPQQGTHSA-N 1 0 386.460 -0.630 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423654902 1072555170 /nfs/dbraw/zinc/55/51/70/1072555170.db2.gz RKLWWLSEHQQGPM-RDBSUJKOSA-N 1 0 386.460 -0.630 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000423654939 1072554942 /nfs/dbraw/zinc/55/49/42/1072554942.db2.gz BASSOVAVGAQYKJ-BEFAXECRSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000423654941 1072554969 /nfs/dbraw/zinc/55/49/69/1072554969.db2.gz BASSOVAVGAQYKJ-DNVCBOLYSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000423654943 1072554684 /nfs/dbraw/zinc/55/46/84/1072554684.db2.gz BASSOVAVGAQYKJ-HNAYVOBHSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000423654945 1072554760 /nfs/dbraw/zinc/55/47/60/1072554760.db2.gz BASSOVAVGAQYKJ-KXBFYZLASA-N 1 0 380.489 -0.138 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000423654963 1072554753 /nfs/dbraw/zinc/55/47/53/1072554753.db2.gz ULQTZPMELHHFIK-INIZCTEOSA-N 1 0 388.468 -0.006 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423654965 1072554577 /nfs/dbraw/zinc/55/45/77/1072554577.db2.gz ULQTZPMELHHFIK-MRXNPFEDSA-N 1 0 388.468 -0.006 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423655270 1072554950 /nfs/dbraw/zinc/55/49/50/1072554950.db2.gz VDHRGOCEFUVPAS-MRXNPFEDSA-N 1 0 379.505 -0.471 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423655364 1072554661 /nfs/dbraw/zinc/55/46/61/1072554661.db2.gz BIHBTKVCHYFAQF-INIZCTEOSA-N 1 0 381.521 -0.367 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423655366 1072554839 /nfs/dbraw/zinc/55/48/39/1072554839.db2.gz BIHBTKVCHYFAQF-MRXNPFEDSA-N 1 0 381.521 -0.367 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000423655565 1072554959 /nfs/dbraw/zinc/55/49/59/1072554959.db2.gz VJWJDFIJVQJWQH-OAHLLOKOSA-N 1 0 376.432 -0.011 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)[C@@H](C)C[NH2+]1 ZINC000423657129 1072554767 /nfs/dbraw/zinc/55/47/67/1072554767.db2.gz VMQNUKVVJYKVIR-AESZEHBQSA-N 1 0 394.495 0.000 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)[C@H](C)C[NH2+]1 ZINC000423657130 1072554595 /nfs/dbraw/zinc/55/45/95/1072554595.db2.gz VMQNUKVVJYKVIR-AIANPOQGSA-N 1 0 394.495 0.000 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000423657131 1072554850 /nfs/dbraw/zinc/55/48/50/1072554850.db2.gz VMQNUKVVJYKVIR-IVSAIRAKSA-N 1 0 394.495 0.000 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)[C@@H](C)C[NH2+]1 ZINC000423657132 1072554914 /nfs/dbraw/zinc/55/49/14/1072554914.db2.gz VMQNUKVVJYKVIR-JKQORVJESA-N 1 0 394.495 0.000 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000423657271 1072554782 /nfs/dbraw/zinc/55/47/82/1072554782.db2.gz YPGCVKQKFUUDSN-BRWVUGGUSA-N 1 0 393.532 -0.225 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000423657273 1072555147 /nfs/dbraw/zinc/55/51/47/1072555147.db2.gz YPGCVKQKFUUDSN-IXDOHACOSA-N 1 0 393.532 -0.225 20 0 GBADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423657428 1072554827 /nfs/dbraw/zinc/55/48/27/1072554827.db2.gz YWLMMXPVZJKCFW-AWEZNQCLSA-N 1 0 391.447 -0.142 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423657430 1072555136 /nfs/dbraw/zinc/55/51/36/1072555136.db2.gz YWLMMXPVZJKCFW-CQSZACIVSA-N 1 0 391.447 -0.142 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CC[NH2+]C1 ZINC000423657503 1072555224 /nfs/dbraw/zinc/55/52/24/1072555224.db2.gz ZDFLNROULQMQQE-KBPBESRZSA-N 1 0 392.460 -0.171 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CC[NH2+]C1 ZINC000423657504 1072555253 /nfs/dbraw/zinc/55/52/53/1072555253.db2.gz ZDFLNROULQMQQE-KGLIPLIRSA-N 1 0 392.460 -0.171 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CC[NH2+]C1 ZINC000423657505 1072555234 /nfs/dbraw/zinc/55/52/34/1072555234.db2.gz ZDFLNROULQMQQE-UONOGXRCSA-N 1 0 392.460 -0.171 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CC[NH2+]C1 ZINC000423657506 1072555093 /nfs/dbraw/zinc/55/50/93/1072555093.db2.gz ZDFLNROULQMQQE-ZIAGYGMSSA-N 1 0 392.460 -0.171 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423657728 1072554978 /nfs/dbraw/zinc/55/49/78/1072554978.db2.gz ZPGXMFMIGUKYRI-MSOLQXFVSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423657729 1072555116 /nfs/dbraw/zinc/55/51/16/1072555116.db2.gz ZPGXMFMIGUKYRI-QZTJIDSGSA-N 1 0 399.495 -0.114 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000423657857 1072555244 /nfs/dbraw/zinc/55/52/44/1072555244.db2.gz WTDHGLPVPUGAAY-JKSUJKDBSA-N 1 0 393.532 -0.225 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423658237 1072555697 /nfs/dbraw/zinc/55/56/97/1072555697.db2.gz FHVCFNIETWXZMT-CVEARBPZSA-N 1 0 380.489 -0.316 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000423658238 1072555489 /nfs/dbraw/zinc/55/54/89/1072555489.db2.gz FHVCFNIETWXZMT-HOTGVXAUSA-N 1 0 380.489 -0.316 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423658239 1072555993 /nfs/dbraw/zinc/55/59/93/1072555993.db2.gz FHVCFNIETWXZMT-HZPDHXFCSA-N 1 0 380.489 -0.316 20 0 GBADRO CCCN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000423658240 1072555718 /nfs/dbraw/zinc/55/57/18/1072555718.db2.gz FHVCFNIETWXZMT-JKSUJKDBSA-N 1 0 380.489 -0.316 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000423658559 1072556034 /nfs/dbraw/zinc/55/60/34/1072556034.db2.gz XXLUNOBFDFQKGD-HZSPNIEDSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000423658560 1072555886 /nfs/dbraw/zinc/55/58/86/1072555886.db2.gz XXLUNOBFDFQKGD-MCIONIFRSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)[C@H](C)C[NH2+]1 ZINC000423658561 1072555863 /nfs/dbraw/zinc/55/58/63/1072555863.db2.gz XXLUNOBFDFQKGD-MGPQQGTHSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000423658562 1072555974 /nfs/dbraw/zinc/55/59/74/1072555974.db2.gz XXLUNOBFDFQKGD-RDBSUJKOSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423659609 1072555567 /nfs/dbraw/zinc/55/55/67/1072555567.db2.gz ZQMJFPVOSQQXCC-CVEARBPZSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423659612 1072555653 /nfs/dbraw/zinc/55/56/53/1072555653.db2.gz ZQMJFPVOSQQXCC-HOTGVXAUSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423659614 1072555707 /nfs/dbraw/zinc/55/57/07/1072555707.db2.gz ZQMJFPVOSQQXCC-HZPDHXFCSA-N 1 0 387.484 -0.035 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000423659616 1072555769 /nfs/dbraw/zinc/55/57/69/1072555769.db2.gz ZQMJFPVOSQQXCC-JKSUJKDBSA-N 1 0 387.484 -0.035 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423659672 1072555514 /nfs/dbraw/zinc/55/55/14/1072555514.db2.gz FJLDWWKDABWFNA-MRXNPFEDSA-N 1 0 391.447 -0.142 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])CC2)nc1 ZINC000423659837 1072555586 /nfs/dbraw/zinc/55/55/86/1072555586.db2.gz BUYDYGBYRYEAFL-CABCVRRESA-N 1 0 391.472 -0.297 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])CC2)nc1 ZINC000423659838 1072555775 /nfs/dbraw/zinc/55/57/75/1072555775.db2.gz BUYDYGBYRYEAFL-GJZGRUSLSA-N 1 0 391.472 -0.297 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])CC2)nc1 ZINC000423659839 1072555914 /nfs/dbraw/zinc/55/59/14/1072555914.db2.gz BUYDYGBYRYEAFL-HUUCEWRRSA-N 1 0 391.472 -0.297 20 0 GBADRO COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])CC2)nc1 ZINC000423659840 1072555754 /nfs/dbraw/zinc/55/57/54/1072555754.db2.gz BUYDYGBYRYEAFL-LSDHHAIUSA-N 1 0 391.472 -0.297 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423659950 1072556113 /nfs/dbraw/zinc/55/61/13/1072556113.db2.gz BXVCBMOUGDKWLB-CAOSSQGBSA-N 1 0 380.489 -0.332 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423659958 1072555668 /nfs/dbraw/zinc/55/56/68/1072555668.db2.gz BXVCBMOUGDKWLB-XUWVNRHRSA-N 1 0 380.489 -0.332 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423659959 1072555899 /nfs/dbraw/zinc/55/58/99/1072555899.db2.gz BXVCBMOUGDKWLB-YHUYYLMFSA-N 1 0 380.489 -0.332 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423659964 1072556101 /nfs/dbraw/zinc/55/61/01/1072556101.db2.gz BXVCBMOUGDKWLB-ZJIFWQFVSA-N 1 0 380.489 -0.332 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000423660008 1072555617 /nfs/dbraw/zinc/55/56/17/1072555617.db2.gz FTJMZNAKMGJDLG-FTRWYGJKSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000423660009 1072555605 /nfs/dbraw/zinc/55/56/05/1072555605.db2.gz FTJMZNAKMGJDLG-GQIGUUNPSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000423660012 1072555904 /nfs/dbraw/zinc/55/59/04/1072555904.db2.gz FTJMZNAKMGJDLG-GUXCAODWSA-N 1 0 394.516 -0.014 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000423660015 1072555832 /nfs/dbraw/zinc/55/58/32/1072555832.db2.gz FTJMZNAKMGJDLG-TWOQFEAHSA-N 1 0 394.516 -0.014 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@H]1CC[NH2+]C1 ZINC000423660066 1072555628 /nfs/dbraw/zinc/55/56/28/1072555628.db2.gz JKBGFVDLVPLRQU-AWEZNQCLSA-N 1 0 388.472 -0.570 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660069 1072555876 /nfs/dbraw/zinc/55/58/76/1072555876.db2.gz JKBGFVDLVPLRQU-CQSZACIVSA-N 1 0 388.472 -0.570 20 0 GBADRO CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423660292 1072556643 /nfs/dbraw/zinc/55/66/43/1072556643.db2.gz GDFXFWMXIJWUTE-ARFHVFGLSA-N 1 0 382.505 -0.158 20 0 GBADRO CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423660295 1072556934 /nfs/dbraw/zinc/55/69/34/1072556934.db2.gz GDFXFWMXIJWUTE-HRCADAONSA-N 1 0 382.505 -0.158 20 0 GBADRO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423660296 1072556539 /nfs/dbraw/zinc/55/65/39/1072556539.db2.gz GDFXFWMXIJWUTE-JYJNAYRXSA-N 1 0 382.505 -0.158 20 0 GBADRO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423660298 1072556979 /nfs/dbraw/zinc/55/69/79/1072556979.db2.gz GDFXFWMXIJWUTE-XHSDSOJGSA-N 1 0 382.505 -0.158 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423660573 1072556728 /nfs/dbraw/zinc/55/67/28/1072556728.db2.gz GHBWPHOBVMQLIK-OAHLLOKOSA-N 1 0 392.431 -0.175 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@@H](C[NH3+])C1 ZINC000423660786 1072556050 /nfs/dbraw/zinc/55/60/50/1072556050.db2.gz CTBBTONJKDODTA-GHMZBOCLSA-N 1 0 380.367 -0.816 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@@H](C[NH3+])C1 ZINC000423660789 1072555524 /nfs/dbraw/zinc/55/55/24/1072555524.db2.gz CTBBTONJKDODTA-MNOVXSKESA-N 1 0 380.367 -0.816 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@H](C[NH3+])C1 ZINC000423660790 1072555984 /nfs/dbraw/zinc/55/59/84/1072555984.db2.gz CTBBTONJKDODTA-QWRGUYRKSA-N 1 0 380.367 -0.816 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@H](C[NH3+])C1 ZINC000423660791 1072555843 /nfs/dbraw/zinc/55/58/43/1072555843.db2.gz CTBBTONJKDODTA-WDEREUQCSA-N 1 0 380.367 -0.816 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N(CCC[NH3+])Cc3ccccc3)CC2=O)cn1 ZINC000423660900 1072555575 /nfs/dbraw/zinc/55/55/75/1072555575.db2.gz DALFWKLKJDQLQF-UHFFFAOYSA-N 1 0 398.467 -0.027 20 0 GBADRO CN(C(=O)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423660987 1072555850 /nfs/dbraw/zinc/55/58/50/1072555850.db2.gz AAFHPLUMVUXHNV-TUUVXOQKSA-N 1 0 381.860 -0.335 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423661019 1072556074 /nfs/dbraw/zinc/55/60/74/1072556074.db2.gz AANFDTDFWKVMEU-DZGCQCFKSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423661023 1072555641 /nfs/dbraw/zinc/55/56/41/1072555641.db2.gz AANFDTDFWKVMEU-HIFRSBDPSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423661028 1072556026 /nfs/dbraw/zinc/55/60/26/1072556026.db2.gz AANFDTDFWKVMEU-UKRRQHHQSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423661031 1072555502 /nfs/dbraw/zinc/55/55/02/1072555502.db2.gz AANFDTDFWKVMEU-ZFWWWQNUSA-N 1 0 388.472 -0.443 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423661203 1072556801 /nfs/dbraw/zinc/55/68/01/1072556801.db2.gz LJQVUMRMHDMIDC-GDBMZVCRSA-N 1 0 379.505 -0.602 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423661204 1072556524 /nfs/dbraw/zinc/55/65/24/1072556524.db2.gz LJQVUMRMHDMIDC-GOEBONIOSA-N 1 0 379.505 -0.602 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423661206 1072556604 /nfs/dbraw/zinc/55/66/04/1072556604.db2.gz LJQVUMRMHDMIDC-HOCLYGCPSA-N 1 0 379.505 -0.602 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423661208 1072556375 /nfs/dbraw/zinc/55/63/75/1072556375.db2.gz LJQVUMRMHDMIDC-ZBFHGGJFSA-N 1 0 379.505 -0.602 20 0 GBADRO CN(C(=O)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423661239 1072556956 /nfs/dbraw/zinc/55/69/56/1072556956.db2.gz BSPBKWCQPLHXAT-HOTGVXAUSA-N 1 0 392.431 -0.206 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423661537 1072556619 /nfs/dbraw/zinc/55/66/19/1072556619.db2.gz LUSDIOYOOLQVNL-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423661539 1072556386 /nfs/dbraw/zinc/55/63/86/1072556386.db2.gz LUSDIOYOOLQVNL-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000423662015 1072556900 /nfs/dbraw/zinc/55/69/00/1072556900.db2.gz BFRYBBBPSHTLMN-DZKIICNBSA-N 1 0 379.505 -0.474 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423662016 1072556846 /nfs/dbraw/zinc/55/68/46/1072556846.db2.gz BFRYBBBPSHTLMN-LZWOXQAQSA-N 1 0 379.505 -0.474 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000423662018 1072556630 /nfs/dbraw/zinc/55/66/30/1072556630.db2.gz BFRYBBBPSHTLMN-OFQRWUPVSA-N 1 0 379.505 -0.474 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423662020 1072556873 /nfs/dbraw/zinc/55/68/73/1072556873.db2.gz BFRYBBBPSHTLMN-SQWLQELKSA-N 1 0 379.505 -0.474 20 0 GBADRO CN(C(=O)C(=O)N1CCC(CO)(Cc2ccccc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423662032 1072556864 /nfs/dbraw/zinc/55/68/64/1072556864.db2.gz BGLCGWVALZCYEL-IRXDYDNUSA-N 1 0 375.469 -0.379 20 0 GBADRO CN(C(=O)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423662036 1072556713 /nfs/dbraw/zinc/55/67/13/1072556713.db2.gz BGNPPKBDDPRQPD-HOTGVXAUSA-N 1 0 379.432 -0.487 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423662772 1072556421 /nfs/dbraw/zinc/55/64/21/1072556421.db2.gz FSSPWAMYDRYPHK-GOSISDBHSA-N 1 0 392.500 -0.485 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423662776 1072556817 /nfs/dbraw/zinc/55/68/17/1072556817.db2.gz FSSPWAMYDRYPHK-SFHVURJKSA-N 1 0 392.500 -0.485 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1)[C@H]1CC[NH2+]C1 ZINC000423663083 1072556610 /nfs/dbraw/zinc/55/66/10/1072556610.db2.gz NTTUVDXUARFNRJ-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423663084 1072556411 /nfs/dbraw/zinc/55/64/11/1072556411.db2.gz NTTUVDXUARFNRJ-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423663272 1072557621 /nfs/dbraw/zinc/55/76/21/1072557621.db2.gz CTMMAALIXIZVLC-XUXIUFHCSA-N 1 0 399.492 -0.695 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000423663382 1072556697 /nfs/dbraw/zinc/55/66/97/1072556697.db2.gz GAOSZCFCOUJEOO-ARFHVFGLSA-N 1 0 395.504 -0.445 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000423663383 1072556891 /nfs/dbraw/zinc/55/68/91/1072556891.db2.gz GAOSZCFCOUJEOO-BZUAXINKSA-N 1 0 395.504 -0.445 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000423663384 1072556549 /nfs/dbraw/zinc/55/65/49/1072556549.db2.gz GAOSZCFCOUJEOO-HRCADAONSA-N 1 0 395.504 -0.445 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000423663385 1072556786 /nfs/dbraw/zinc/55/67/86/1072556786.db2.gz GAOSZCFCOUJEOO-OWCLPIDISA-N 1 0 395.504 -0.445 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)[C@H](C[NH3+])C1 ZINC000423663421 1072556362 /nfs/dbraw/zinc/55/63/62/1072556362.db2.gz GFCBWNBYHFEHSD-KBPBESRZSA-N 1 0 379.436 -0.166 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)[C@@H](C[NH3+])C1 ZINC000423663422 1072556578 /nfs/dbraw/zinc/55/65/78/1072556578.db2.gz GFCBWNBYHFEHSD-KGLIPLIRSA-N 1 0 379.436 -0.166 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)[C@H](C[NH3+])C1 ZINC000423663423 1072556947 /nfs/dbraw/zinc/55/69/47/1072556947.db2.gz GFCBWNBYHFEHSD-UONOGXRCSA-N 1 0 379.436 -0.166 20 0 GBADRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)[C@@H](C[NH3+])C1 ZINC000423663424 1072557444 /nfs/dbraw/zinc/55/74/44/1072557444.db2.gz GFCBWNBYHFEHSD-ZIAGYGMSSA-N 1 0 379.436 -0.166 20 0 GBADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)cc1F ZINC000423663608 1072556920 /nfs/dbraw/zinc/55/69/20/1072556920.db2.gz GWGMHPXWGYSSGY-HOTGVXAUSA-N 1 0 392.431 -0.790 20 0 GBADRO CN(C(=O)C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423663615 1072556586 /nfs/dbraw/zinc/55/65/86/1072556586.db2.gz GXBCZIRWAVTNDW-HOTGVXAUSA-N 1 0 398.467 -0.031 20 0 GBADRO COc1cc(OC)cc(OCCCN(C)C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000423663704 1072556992 /nfs/dbraw/zinc/55/69/92/1072556992.db2.gz DIDZNMNFVLDYKW-IRXDYDNUSA-N 1 0 395.456 -0.278 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)ccc1F ZINC000423663708 1072556501 /nfs/dbraw/zinc/55/65/01/1072556501.db2.gz DJKLVSFJHXNFQG-GJZGRUSLSA-N 1 0 380.420 -0.726 20 0 GBADRO Cn1ccnc(N2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)c1=O ZINC000423664008 1072556770 /nfs/dbraw/zinc/55/67/70/1072556770.db2.gz HKADDTDTYFJYQU-UHFFFAOYSA-N 1 0 398.467 -0.584 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[C@H]1CC[NH2+]C1 ZINC000423664060 1072556511 /nfs/dbraw/zinc/55/65/11/1072556511.db2.gz OSHVXDLFJFKKGA-HNNXBMFYSA-N 1 0 388.472 -0.570 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664064 1072556984 /nfs/dbraw/zinc/55/69/84/1072556984.db2.gz OSHVXDLFJFKKGA-OAHLLOKOSA-N 1 0 388.472 -0.570 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@@H]1CC ZINC000423664158 1072557186 /nfs/dbraw/zinc/55/71/86/1072557186.db2.gz GLTJTBLXNNLNOB-BBWFWOEESA-N 1 0 384.521 -0.090 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@H]1CC ZINC000423664163 1072557557 /nfs/dbraw/zinc/55/75/57/1072557557.db2.gz GLTJTBLXNNLNOB-IKGGRYGDSA-N 1 0 384.521 -0.090 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@@H]1CC ZINC000423664167 1072557643 /nfs/dbraw/zinc/55/76/43/1072557643.db2.gz GLTJTBLXNNLNOB-ULQDDVLXSA-N 1 0 384.521 -0.090 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@H]1CC ZINC000423664173 1072557480 /nfs/dbraw/zinc/55/74/80/1072557480.db2.gz GLTJTBLXNNLNOB-ZACQAIPSSA-N 1 0 384.521 -0.090 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423664438 1072557677 /nfs/dbraw/zinc/55/76/77/1072557677.db2.gz GRBVQCOJRUJXRI-UHFFFAOYSA-N 1 0 396.513 -0.142 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423664723 1072557307 /nfs/dbraw/zinc/55/73/07/1072557307.db2.gz PNDVMHHSSAYCPM-CVEARBPZSA-N 1 0 381.521 -0.354 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423664726 1072557296 /nfs/dbraw/zinc/55/72/96/1072557296.db2.gz PNDVMHHSSAYCPM-HOTGVXAUSA-N 1 0 381.521 -0.354 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664729 1072557528 /nfs/dbraw/zinc/55/75/28/1072557528.db2.gz PNDVMHHSSAYCPM-HZPDHXFCSA-N 1 0 381.521 -0.354 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664731 1072557332 /nfs/dbraw/zinc/55/73/32/1072557332.db2.gz PNDVMHHSSAYCPM-JKSUJKDBSA-N 1 0 381.521 -0.354 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1)[C@H]1CC[NH2+]C1 ZINC000423664886 1072557719 /nfs/dbraw/zinc/55/77/19/1072557719.db2.gz QCQYGOAVJQUEIQ-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423664887 1072557406 /nfs/dbraw/zinc/55/74/06/1072557406.db2.gz QCQYGOAVJQUEIQ-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423664972 1072557546 /nfs/dbraw/zinc/55/75/46/1072557546.db2.gz IXLUGYYLHZWYNW-CYBMUJFWSA-N 1 0 383.493 -0.794 20 0 GBADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423664974 1072557461 /nfs/dbraw/zinc/55/74/61/1072557461.db2.gz IXLUGYYLHZWYNW-ZDUSSCGKSA-N 1 0 383.493 -0.794 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423664975 1072557699 /nfs/dbraw/zinc/55/76/99/1072557699.db2.gz FZFOADQFYHZEPN-MPGHIAIKSA-N 1 0 381.860 -0.363 20 0 GBADRO CN(C(=O)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423664977 1072557730 /nfs/dbraw/zinc/55/77/30/1072557730.db2.gz FZFOADQFYHZEPN-RLFYNMQTSA-N 1 0 381.860 -0.363 20 0 GBADRO CCOCCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423665029 1072557631 /nfs/dbraw/zinc/55/76/31/1072557631.db2.gz JAACWUOSOUIXLA-CVEARBPZSA-N 1 0 398.504 -0.514 20 0 GBADRO CCOCCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423665034 1072557287 /nfs/dbraw/zinc/55/72/87/1072557287.db2.gz JAACWUOSOUIXLA-HOTGVXAUSA-N 1 0 398.504 -0.514 20 0 GBADRO CCOc1ccccc1N1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000423665125 1072557344 /nfs/dbraw/zinc/55/73/44/1072557344.db2.gz JKDCSZNIISDWJA-HOTGVXAUSA-N 1 0 376.457 -0.475 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)[C@@H](C[NH3+])C1 ZINC000423665322 1072557275 /nfs/dbraw/zinc/55/72/75/1072557275.db2.gz HFDHTHBEOLXLOY-CABCVRRESA-N 1 0 379.436 -0.166 20 0 GBADRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)[C@H](C[NH3+])C1 ZINC000423665323 1072558449 /nfs/dbraw/zinc/55/84/49/1072558449.db2.gz HFDHTHBEOLXLOY-GJZGRUSLSA-N 1 0 379.436 -0.166 20 0 GBADRO 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KVWMOHMCGLEHLO-WCVJEAGWSA-N 1 0 375.425 -0.807 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000423678132 1072561896 /nfs/dbraw/zinc/56/18/96/1072561896.db2.gz QQWIRMHPVNDJPE-ABAIWWIYSA-N 1 0 394.394 -0.642 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000423678135 1072561880 /nfs/dbraw/zinc/56/18/80/1072561880.db2.gz QQWIRMHPVNDJPE-IAQYHMDHSA-N 1 0 394.394 -0.642 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000423678137 1072561964 /nfs/dbraw/zinc/56/19/64/1072561964.db2.gz QQWIRMHPVNDJPE-NHYWBVRUSA-N 1 0 394.394 -0.642 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000423678140 1072562051 /nfs/dbraw/zinc/56/20/51/1072562051.db2.gz QQWIRMHPVNDJPE-XHDPSFHLSA-N 1 0 394.394 -0.642 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000423678246 1072562977 /nfs/dbraw/zinc/56/29/77/1072562977.db2.gz QVFDVBSRUVYALC-CVEARBPZSA-N 1 0 390.488 -0.107 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000423678250 1072562964 /nfs/dbraw/zinc/56/29/64/1072562964.db2.gz QVFDVBSRUVYALC-HOTGVXAUSA-N 1 0 390.488 -0.107 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000423678252 1072563003 /nfs/dbraw/zinc/56/30/03/1072563003.db2.gz QVFDVBSRUVYALC-HZPDHXFCSA-N 1 0 390.488 -0.107 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000423678256 1072563166 /nfs/dbraw/zinc/56/31/66/1072563166.db2.gz QVFDVBSRUVYALC-JKSUJKDBSA-N 1 0 390.488 -0.107 20 0 GBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423678273 1072562905 /nfs/dbraw/zinc/56/29/05/1072562905.db2.gz QWAAVAVEIYCWSJ-ACJLOTCBSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423678278 1072563097 /nfs/dbraw/zinc/56/30/97/1072563097.db2.gz QWAAVAVEIYCWSJ-FZKQIMNGSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423678279 1072563012 /nfs/dbraw/zinc/56/30/12/1072563012.db2.gz QWAAVAVEIYCWSJ-SCLBCKFNSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423678280 1072563132 /nfs/dbraw/zinc/56/31/32/1072563132.db2.gz QWAAVAVEIYCWSJ-UGSOOPFHSA-N 1 0 382.461 -0.756 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000423678756 1072563197 /nfs/dbraw/zinc/56/31/97/1072563197.db2.gz RBWAWNNZDCSKOI-INIZCTEOSA-N 1 0 379.505 -0.471 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000423678757 1072562825 /nfs/dbraw/zinc/56/28/25/1072562825.db2.gz RBWAWNNZDCSKOI-MRXNPFEDSA-N 1 0 379.505 -0.471 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000423678933 1072562130 /nfs/dbraw/zinc/56/21/30/1072562130.db2.gz RHCHFLJPEBBZNI-ARFHVFGLSA-N 1 0 392.500 -0.140 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000423678935 1072561828 /nfs/dbraw/zinc/56/18/28/1072561828.db2.gz RHCHFLJPEBBZNI-HRCADAONSA-N 1 0 392.500 -0.140 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000423678939 1072561865 /nfs/dbraw/zinc/56/18/65/1072561865.db2.gz RHCHFLJPEBBZNI-JYJNAYRXSA-N 1 0 392.500 -0.140 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000423678943 1072561848 /nfs/dbraw/zinc/56/18/48/1072561848.db2.gz RHCHFLJPEBBZNI-XHSDSOJGSA-N 1 0 392.500 -0.140 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000423679379 1072562638 /nfs/dbraw/zinc/56/26/38/1072562638.db2.gz RJOMDHTXMLATBT-HNNXBMFYSA-N 1 0 394.497 -0.222 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423679382 1072563025 /nfs/dbraw/zinc/56/30/25/1072563025.db2.gz RJOMDHTXMLATBT-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000423679426 1072562814 /nfs/dbraw/zinc/56/28/14/1072562814.db2.gz RMPQXDRWECGWIK-BEFAXECRSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000423679429 1072563188 /nfs/dbraw/zinc/56/31/88/1072563188.db2.gz RMPQXDRWECGWIK-DNVCBOLYSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000423679434 1072562662 /nfs/dbraw/zinc/56/26/62/1072562662.db2.gz RMPQXDRWECGWIK-HNAYVOBHSA-N 1 0 380.489 -0.138 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000423679436 1072563142 /nfs/dbraw/zinc/56/31/42/1072563142.db2.gz RMPQXDRWECGWIK-KXBFYZLASA-N 1 0 380.489 -0.138 20 0 GBADRO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423679657 1072562757 /nfs/dbraw/zinc/56/27/57/1072562757.db2.gz MAILWRNOJIBUOJ-DOXZYTNZSA-N 1 0 375.425 -0.879 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])CC2)n1 ZINC000423679828 1072563109 /nfs/dbraw/zinc/56/31/09/1072563109.db2.gz TYWLUMFJDZGKPP-KBPBESRZSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])CC2)n1 ZINC000423679829 1072563155 /nfs/dbraw/zinc/56/31/55/1072563155.db2.gz TYWLUMFJDZGKPP-KGLIPLIRSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])CC2)n1 ZINC000423679830 1072562743 /nfs/dbraw/zinc/56/27/43/1072562743.db2.gz TYWLUMFJDZGKPP-UONOGXRCSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])CC2)n1 ZINC000423679831 1072563073 /nfs/dbraw/zinc/56/30/73/1072563073.db2.gz TYWLUMFJDZGKPP-ZIAGYGMSSA-N 1 0 392.460 -0.902 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423679886 1072562852 /nfs/dbraw/zinc/56/28/52/1072562852.db2.gz UERMNSQFRVOENC-UHFFFAOYSA-N 1 0 382.486 -0.532 20 0 GBADRO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000423680176 1072563089 /nfs/dbraw/zinc/56/30/89/1072563089.db2.gz MAILWRNOJIBUOJ-YZVOILCLSA-N 1 0 375.425 -0.879 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423680183 1072562705 /nfs/dbraw/zinc/56/27/05/1072562705.db2.gz DXTOMGZENDPDGO-KBPBESRZSA-N 1 0 386.460 -0.499 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423680189 1072563171 /nfs/dbraw/zinc/56/31/71/1072563171.db2.gz DXTOMGZENDPDGO-KGLIPLIRSA-N 1 0 386.460 -0.499 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423680194 1072562649 /nfs/dbraw/zinc/56/26/49/1072562649.db2.gz DXTOMGZENDPDGO-UONOGXRCSA-N 1 0 386.460 -0.499 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423680200 1072563182 /nfs/dbraw/zinc/56/31/82/1072563182.db2.gz DXTOMGZENDPDGO-ZIAGYGMSSA-N 1 0 386.460 -0.499 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423680409 1072562922 /nfs/dbraw/zinc/56/29/22/1072562922.db2.gz SALINOMXJAVVPF-CABCVRRESA-N 1 0 396.488 -0.366 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423680410 1072563123 /nfs/dbraw/zinc/56/31/23/1072563123.db2.gz SALINOMXJAVVPF-GJZGRUSLSA-N 1 0 396.488 -0.366 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423680412 1072563208 /nfs/dbraw/zinc/56/32/08/1072563208.db2.gz SALINOMXJAVVPF-HUUCEWRRSA-N 1 0 396.488 -0.366 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423680414 1072562936 /nfs/dbraw/zinc/56/29/36/1072562936.db2.gz SALINOMXJAVVPF-LSDHHAIUSA-N 1 0 396.488 -0.366 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])C2)nn1 ZINC000423680776 1072563038 /nfs/dbraw/zinc/56/30/38/1072563038.db2.gz FIZIKCJPVUEJNE-GUTXKFCHSA-N 1 0 392.460 -0.044 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])C2)nn1 ZINC000423680779 1072562783 /nfs/dbraw/zinc/56/27/83/1072562783.db2.gz FIZIKCJPVUEJNE-GZBFAFLISA-N 1 0 392.460 -0.044 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])C2)nn1 ZINC000423680782 1072562989 /nfs/dbraw/zinc/56/29/89/1072562989.db2.gz FIZIKCJPVUEJNE-NFAWXSAZSA-N 1 0 392.460 -0.044 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])C2)nn1 ZINC000423680783 1072563047 /nfs/dbraw/zinc/56/30/47/1072563047.db2.gz FIZIKCJPVUEJNE-UMVBOHGHSA-N 1 0 392.460 -0.044 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423681494 1072562844 /nfs/dbraw/zinc/56/28/44/1072562844.db2.gz MPYBBDZURUSMKL-UHFFFAOYSA-N 1 0 382.486 -0.532 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423681526 1072562692 /nfs/dbraw/zinc/56/26/92/1072562692.db2.gz FXXWTMSWXSYTMQ-KKUMJFAQSA-N 1 0 386.518 -0.259 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423681531 1072563163 /nfs/dbraw/zinc/56/31/63/1072563163.db2.gz FXXWTMSWXSYTMQ-RRFJBIMHSA-N 1 0 386.518 -0.259 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423681535 1072562900 /nfs/dbraw/zinc/56/29/00/1072562900.db2.gz FXXWTMSWXSYTMQ-SOUVJXGZSA-N 1 0 386.518 -0.259 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423681542 1072562863 /nfs/dbraw/zinc/56/28/63/1072562863.db2.gz FXXWTMSWXSYTMQ-ZNMIVQPWSA-N 1 0 386.518 -0.259 20 0 GBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423682071 1072562712 /nfs/dbraw/zinc/56/27/12/1072562712.db2.gz VPNFMHIRZZBOKD-UHFFFAOYSA-N 1 0 389.500 -0.228 20 0 GBADRO Cc1cccc(CC2(O)CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC000423682117 1072562950 /nfs/dbraw/zinc/56/29/50/1072562950.db2.gz NVWSLORMZTYRMQ-IRXDYDNUSA-N 1 0 375.469 -0.318 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423682557 1072564149 /nfs/dbraw/zinc/56/41/49/1072564149.db2.gz GOCXAAXGUYHEMT-DZKIICNBSA-N 1 0 390.488 -0.179 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])CC2)ncn1 ZINC000423682558 1072563857 /nfs/dbraw/zinc/56/38/57/1072563857.db2.gz WDHONDOJKMVDOP-KBPBESRZSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])CC2)ncn1 ZINC000423682560 1072564000 /nfs/dbraw/zinc/56/40/00/1072564000.db2.gz WDHONDOJKMVDOP-KGLIPLIRSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])CC2)ncn1 ZINC000423682564 1072564057 /nfs/dbraw/zinc/56/40/57/1072564057.db2.gz WDHONDOJKMVDOP-UONOGXRCSA-N 1 0 392.460 -0.902 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])CC2)ncn1 ZINC000423682566 1072563612 /nfs/dbraw/zinc/56/36/12/1072563612.db2.gz WDHONDOJKMVDOP-ZIAGYGMSSA-N 1 0 392.460 -0.902 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423682567 1072563904 /nfs/dbraw/zinc/56/39/04/1072563904.db2.gz GOCXAAXGUYHEMT-LZWOXQAQSA-N 1 0 390.488 -0.179 20 0 GBADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423682568 1072563907 /nfs/dbraw/zinc/56/39/07/1072563907.db2.gz SWUMHSCCDINQNS-CVEARBPZSA-N 1 0 398.504 -0.514 20 0 GBADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423682572 1072563802 /nfs/dbraw/zinc/56/38/02/1072563802.db2.gz SWUMHSCCDINQNS-HOTGVXAUSA-N 1 0 398.504 -0.514 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423682575 1072564033 /nfs/dbraw/zinc/56/40/33/1072564033.db2.gz GOCXAAXGUYHEMT-OFQRWUPVSA-N 1 0 390.488 -0.179 20 0 GBADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423682579 1072563629 /nfs/dbraw/zinc/56/36/29/1072563629.db2.gz SWUMHSCCDINQNS-HZPDHXFCSA-N 1 0 398.504 -0.514 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423682582 1072563867 /nfs/dbraw/zinc/56/38/67/1072563867.db2.gz GOCXAAXGUYHEMT-SQWLQELKSA-N 1 0 390.488 -0.179 20 0 GBADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423682591 1072564168 /nfs/dbraw/zinc/56/41/68/1072564168.db2.gz SWUMHSCCDINQNS-JKSUJKDBSA-N 1 0 398.504 -0.514 20 0 GBADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423682709 1072562872 /nfs/dbraw/zinc/56/28/72/1072562872.db2.gz SZHUSQFOFDUZFS-KBPBESRZSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423682711 1072564052 /nfs/dbraw/zinc/56/40/52/1072564052.db2.gz SZHUSQFOFDUZFS-KGLIPLIRSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423682713 1072563900 /nfs/dbraw/zinc/56/39/00/1072563900.db2.gz SZHUSQFOFDUZFS-UONOGXRCSA-N 1 0 382.461 -0.756 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423682714 1072563529 /nfs/dbraw/zinc/56/35/29/1072563529.db2.gz SZHUSQFOFDUZFS-ZIAGYGMSSA-N 1 0 382.461 -0.756 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000423682896 1072562766 /nfs/dbraw/zinc/56/27/66/1072562766.db2.gz TYLAWCFJSOGBIK-INIZCTEOSA-N 1 0 379.505 -0.613 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000423682902 1072562725 /nfs/dbraw/zinc/56/27/25/1072562725.db2.gz TYLAWCFJSOGBIK-MRXNPFEDSA-N 1 0 379.505 -0.613 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000423683787 1072563511 /nfs/dbraw/zinc/56/35/11/1072563511.db2.gz HOOLEVHCNSMGLW-KFWWJZLASA-N 1 0 398.471 -0.486 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000423683792 1072564062 /nfs/dbraw/zinc/56/40/62/1072564062.db2.gz HOOLEVHCNSMGLW-ZNMIVQPWSA-N 1 0 398.471 -0.486 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCN1C ZINC000423684044 1072563469 /nfs/dbraw/zinc/56/34/69/1072563469.db2.gz UJVAHLTWYPROCW-CVEARBPZSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCN1C ZINC000423684045 1072563730 /nfs/dbraw/zinc/56/37/30/1072563730.db2.gz UJVAHLTWYPROCW-HOTGVXAUSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCN1C ZINC000423684046 1072563935 /nfs/dbraw/zinc/56/39/35/1072563935.db2.gz UJVAHLTWYPROCW-HZPDHXFCSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCN1C ZINC000423684047 1072564198 /nfs/dbraw/zinc/56/41/98/1072564198.db2.gz UJVAHLTWYPROCW-JKSUJKDBSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423684225 1072564025 /nfs/dbraw/zinc/56/40/25/1072564025.db2.gz XJFYKTZRSNQTSQ-DLBZAZTESA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423684228 1072563542 /nfs/dbraw/zinc/56/35/42/1072563542.db2.gz XJFYKTZRSNQTSQ-IAGOWNOFSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423684230 1072563813 /nfs/dbraw/zinc/56/38/13/1072563813.db2.gz XJFYKTZRSNQTSQ-IRXDYDNUSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000423684232 1072564161 /nfs/dbraw/zinc/56/41/61/1072564161.db2.gz XJFYKTZRSNQTSQ-SJORKVTESA-N 1 0 393.532 -0.271 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000423684606 1072564111 /nfs/dbraw/zinc/56/41/11/1072564111.db2.gz UXDQIIZEBUZOLI-JTQLQIEISA-N 1 0 382.358 -0.055 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000423684615 1072564098 /nfs/dbraw/zinc/56/40/98/1072564098.db2.gz UXDQIIZEBUZOLI-SNVBAGLBSA-N 1 0 382.358 -0.055 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423684979 1072563560 /nfs/dbraw/zinc/56/35/60/1072563560.db2.gz RYDPOLTVOKLNEV-BFYDXBDKSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423684980 1072563882 /nfs/dbraw/zinc/56/38/82/1072563882.db2.gz RYDPOLTVOKLNEV-HLLBOEOZSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423684981 1072563974 /nfs/dbraw/zinc/56/39/74/1072563974.db2.gz RYDPOLTVOKLNEV-INMHGKMJSA-N 1 0 387.484 -0.434 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423684983 1072563917 /nfs/dbraw/zinc/56/39/17/1072563917.db2.gz RYDPOLTVOKLNEV-UXLLHSPISA-N 1 0 387.484 -0.434 20 0 GBADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423685086 1072564039 /nfs/dbraw/zinc/56/40/39/1072564039.db2.gz UZAZWDUYSVKTQZ-QGZVFWFLSA-N 1 0 387.484 -0.603 20 0 GBADRO CN(C(=O)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685554 1072564083 /nfs/dbraw/zinc/56/40/83/1072564083.db2.gz SFUAGXQEDFBDQK-HOTGVXAUSA-N 1 0 379.432 -0.487 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423685930 1072563708 /nfs/dbraw/zinc/56/37/08/1072563708.db2.gz YOFXWEABDDVWCV-DLBZAZTESA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423685931 1072563759 /nfs/dbraw/zinc/56/37/59/1072563759.db2.gz YOFXWEABDDVWCV-IAGOWNOFSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423685932 1072563842 /nfs/dbraw/zinc/56/38/42/1072563842.db2.gz YOFXWEABDDVWCV-IRXDYDNUSA-N 1 0 393.532 -0.354 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423685933 1072563686 /nfs/dbraw/zinc/56/36/86/1072563686.db2.gz YOFXWEABDDVWCV-SJORKVTESA-N 1 0 393.532 -0.354 20 0 GBADRO COc1cccc(NC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC000423686486 1072565108 /nfs/dbraw/zinc/56/51/08/1072565108.db2.gz UCVIAADCGYVQDK-IRXDYDNUSA-N 1 0 376.457 -0.111 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423686607 1072563780 /nfs/dbraw/zinc/56/37/80/1072563780.db2.gz WANIYUHPXDZDSK-CYBMUJFWSA-N 1 0 399.473 -0.926 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000423686608 1072563965 /nfs/dbraw/zinc/56/39/65/1072563965.db2.gz WANIYUHPXDZDSK-ZDUSSCGKSA-N 1 0 399.473 -0.926 20 0 GBADRO CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686639 1072564009 /nfs/dbraw/zinc/56/40/09/1072564009.db2.gz WCFDMASTTILSNG-CVEARBPZSA-N 1 0 381.521 -0.225 20 0 GBADRO CC[C@H](C)N1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686640 1072563988 /nfs/dbraw/zinc/56/39/88/1072563988.db2.gz WCFDMASTTILSNG-HOTGVXAUSA-N 1 0 381.521 -0.225 20 0 GBADRO CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686641 1072564907 /nfs/dbraw/zinc/56/49/07/1072564907.db2.gz WCFDMASTTILSNG-HZPDHXFCSA-N 1 0 381.521 -0.225 20 0 GBADRO CC[C@H](C)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686642 1072564616 /nfs/dbraw/zinc/56/46/16/1072564616.db2.gz WCFDMASTTILSNG-JKSUJKDBSA-N 1 0 381.521 -0.225 20 0 GBADRO CN(C(=O)C(=O)N1CCC(Cc2ccccc2CO)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423686910 1072564828 /nfs/dbraw/zinc/56/48/28/1072564828.db2.gz UUKQAQOLXAAPKR-ROUUACIJSA-N 1 0 375.469 -0.249 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000423687004 1072565003 /nfs/dbraw/zinc/56/50/03/1072565003.db2.gz ZWTDBYMCHMKYCS-INIZCTEOSA-N 1 0 396.513 -0.096 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000423687005 1072564896 /nfs/dbraw/zinc/56/48/96/1072564896.db2.gz ZWTDBYMCHMKYCS-MRXNPFEDSA-N 1 0 396.513 -0.096 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423687214 1072564510 /nfs/dbraw/zinc/56/45/10/1072564510.db2.gz WKAXMAZJRVBEII-INIZCTEOSA-N 1 0 397.520 -0.987 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423687215 1072564952 /nfs/dbraw/zinc/56/49/52/1072564952.db2.gz WKAXMAZJRVBEII-MRXNPFEDSA-N 1 0 397.520 -0.987 20 0 GBADRO CC[C@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423688244 1072564691 /nfs/dbraw/zinc/56/46/91/1072564691.db2.gz XBRGWCBMVXQBBA-BEFAXECRSA-N 1 0 382.505 -0.156 20 0 GBADRO CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423688247 1072564677 /nfs/dbraw/zinc/56/46/77/1072564677.db2.gz XBRGWCBMVXQBBA-DNVCBOLYSA-N 1 0 382.505 -0.156 20 0 GBADRO CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423688251 1072565049 /nfs/dbraw/zinc/56/50/49/1072565049.db2.gz XBRGWCBMVXQBBA-HNAYVOBHSA-N 1 0 382.505 -0.156 20 0 GBADRO CC[C@]1(CO)CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423688255 1072564529 /nfs/dbraw/zinc/56/45/29/1072564529.db2.gz XBRGWCBMVXQBBA-KXBFYZLASA-N 1 0 382.505 -0.156 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423688627 1072564655 /nfs/dbraw/zinc/56/46/55/1072564655.db2.gz XCGSTQPUTYZSJI-ARFHVFGLSA-N 1 0 381.521 -0.226 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423688629 1072564580 /nfs/dbraw/zinc/56/45/80/1072564580.db2.gz XCGSTQPUTYZSJI-HRCADAONSA-N 1 0 381.521 -0.226 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423688631 1072564720 /nfs/dbraw/zinc/56/47/20/1072564720.db2.gz XCGSTQPUTYZSJI-JYJNAYRXSA-N 1 0 381.521 -0.226 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423688634 1072565082 /nfs/dbraw/zinc/56/50/82/1072565082.db2.gz XCGSTQPUTYZSJI-XHSDSOJGSA-N 1 0 381.521 -0.226 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423689005 1072564568 /nfs/dbraw/zinc/56/45/68/1072564568.db2.gz XTMUBXISPFBWPW-DZGCQCFKSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423689006 1072564669 /nfs/dbraw/zinc/56/46/69/1072564669.db2.gz XTMUBXISPFBWPW-HIFRSBDPSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423689007 1072564772 /nfs/dbraw/zinc/56/47/72/1072564772.db2.gz XTMUBXISPFBWPW-UKRRQHHQSA-N 1 0 388.472 -0.443 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423689008 1072564845 /nfs/dbraw/zinc/56/48/45/1072564845.db2.gz XTMUBXISPFBWPW-ZFWWWQNUSA-N 1 0 388.472 -0.443 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 ZINC000423689208 1072564522 /nfs/dbraw/zinc/56/45/22/1072564522.db2.gz CEGDXJJFLQFAIZ-INIZCTEOSA-N 1 0 386.456 -0.835 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 ZINC000423689211 1072565021 /nfs/dbraw/zinc/56/50/21/1072565021.db2.gz CEGDXJJFLQFAIZ-MRXNPFEDSA-N 1 0 386.456 -0.835 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000423689490 1072564632 /nfs/dbraw/zinc/56/46/32/1072564632.db2.gz YZSLYYFGPWWBKL-HZSPNIEDSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000423689491 1072564936 /nfs/dbraw/zinc/56/49/36/1072564936.db2.gz YZSLYYFGPWWBKL-MCIONIFRSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C[C@@H](C)[NH2+]1 ZINC000423689492 1072565008 /nfs/dbraw/zinc/56/50/08/1072565008.db2.gz YZSLYYFGPWWBKL-MGPQQGTHSA-N 1 0 386.518 -0.484 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C[C@H](C)[NH2+]1 ZINC000423689493 1072564705 /nfs/dbraw/zinc/56/47/05/1072564705.db2.gz YZSLYYFGPWWBKL-MJBXVCDLSA-N 1 0 386.518 -0.484 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC000423689722 1072564928 /nfs/dbraw/zinc/56/49/28/1072564928.db2.gz CVGOFGQSPVJFBR-HNNXBMFYSA-N 1 0 393.532 -0.212 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC000423689723 1072564539 /nfs/dbraw/zinc/56/45/39/1072564539.db2.gz CVGOFGQSPVJFBR-OAHLLOKOSA-N 1 0 393.532 -0.212 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)n1 ZINC000423689839 1072564559 /nfs/dbraw/zinc/56/45/59/1072564559.db2.gz YMAISRPGNXJQFU-KBPBESRZSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)n1 ZINC000423689846 1072564545 /nfs/dbraw/zinc/56/45/45/1072564545.db2.gz YMAISRPGNXJQFU-KGLIPLIRSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)n1 ZINC000423689848 1072564556 /nfs/dbraw/zinc/56/45/56/1072564556.db2.gz YMAISRPGNXJQFU-UONOGXRCSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)n1 ZINC000423689850 1072564552 /nfs/dbraw/zinc/56/45/52/1072564552.db2.gz YMAISRPGNXJQFU-ZIAGYGMSSA-N 1 0 376.461 -0.138 20 0 GBADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000423690244 1072564807 /nfs/dbraw/zinc/56/48/07/1072564807.db2.gz NXFINRZAXXCRJV-UHFFFAOYSA-N 1 0 387.484 -0.603 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423691866 1072565474 /nfs/dbraw/zinc/56/54/74/1072565474.db2.gz ZNBMXLYOLMAFNB-CABCVRRESA-N 1 0 395.504 -0.650 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423691867 1072565613 /nfs/dbraw/zinc/56/56/13/1072565613.db2.gz ZNBMXLYOLMAFNB-GJZGRUSLSA-N 1 0 395.504 -0.650 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423691869 1072565950 /nfs/dbraw/zinc/56/59/50/1072565950.db2.gz ZNBMXLYOLMAFNB-HUUCEWRRSA-N 1 0 395.504 -0.650 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423691870 1072565667 /nfs/dbraw/zinc/56/56/67/1072565667.db2.gz ZNBMXLYOLMAFNB-LSDHHAIUSA-N 1 0 395.504 -0.650 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423693738 1072560382 /nfs/dbraw/zinc/56/03/82/1072560382.db2.gz AAVJDAHFBRLSMG-AWEZNQCLSA-N 1 0 391.472 -0.417 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423693740 1072560556 /nfs/dbraw/zinc/56/05/56/1072560556.db2.gz AAVJDAHFBRLSMG-CQSZACIVSA-N 1 0 391.472 -0.417 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423694430 1072560085 /nfs/dbraw/zinc/56/00/85/1072560085.db2.gz UFZFISXPRZNBLU-UHFFFAOYSA-N 1 0 389.500 -0.357 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000423694782 1072560434 /nfs/dbraw/zinc/56/04/34/1072560434.db2.gz BGVCIIBZRJGOLO-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000423694784 1072560331 /nfs/dbraw/zinc/56/03/31/1072560331.db2.gz BGVCIIBZRJGOLO-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000423694949 1072560125 /nfs/dbraw/zinc/56/01/25/1072560125.db2.gz UYJQXTVOPAMOPD-KRWDZBQOSA-N 1 0 388.468 -0.176 20 0 GBADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000423694953 1072559942 /nfs/dbraw/zinc/55/99/42/1072559942.db2.gz UYJQXTVOPAMOPD-QGZVFWFLSA-N 1 0 388.468 -0.176 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1CC[NH2+]CC1 ZINC000423695243 1072561211 /nfs/dbraw/zinc/56/12/11/1072561211.db2.gz GXXDUHYEEJOLKD-UHFFFAOYSA-N 1 0 376.461 -0.414 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000423695289 1072561119 /nfs/dbraw/zinc/56/11/19/1072561119.db2.gz BOSOQLPXLFTZRJ-CHWSQXEVSA-N 1 0 378.433 -0.561 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000423695292 1072560986 /nfs/dbraw/zinc/56/09/86/1072560986.db2.gz BOSOQLPXLFTZRJ-OLZOCXBDSA-N 1 0 378.433 -0.561 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000423695294 1072561257 /nfs/dbraw/zinc/56/12/57/1072561257.db2.gz BOSOQLPXLFTZRJ-QWHCGFSZSA-N 1 0 378.433 -0.561 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000423695295 1072561482 /nfs/dbraw/zinc/56/14/82/1072561482.db2.gz BOSOQLPXLFTZRJ-STQMWFEESA-N 1 0 378.433 -0.561 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2CCOC ZINC000423695793 1072560455 /nfs/dbraw/zinc/56/04/55/1072560455.db2.gz BYBLSJINLNWUEO-QLFBSQMISA-N 1 0 381.477 -0.772 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2CCOC ZINC000423695797 1072560542 /nfs/dbraw/zinc/56/05/42/1072560542.db2.gz BYBLSJINLNWUEO-SOUVJXGZSA-N 1 0 381.477 -0.772 20 0 GBADRO O=C(C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423695894 1072560498 /nfs/dbraw/zinc/56/04/98/1072560498.db2.gz WFVPPAUGALFZKW-IYBDPMFKSA-N 1 0 382.468 -0.344 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423695899 1072560132 /nfs/dbraw/zinc/56/01/32/1072560132.db2.gz HJYNQIFBBWBBJI-CYBMUJFWSA-N 1 0 379.436 -0.286 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000423695902 1072560300 /nfs/dbraw/zinc/56/03/00/1072560300.db2.gz HJYNQIFBBWBBJI-ZDUSSCGKSA-N 1 0 379.436 -0.286 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423695969 1072560003 /nfs/dbraw/zinc/56/00/03/1072560003.db2.gz WJBFLQIKAZPJDY-BBWFWOEESA-N 1 0 385.468 -0.965 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423695972 1072560373 /nfs/dbraw/zinc/56/03/73/1072560373.db2.gz WJBFLQIKAZPJDY-IXDOHACOSA-N 1 0 385.468 -0.965 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423696889 1072561056 /nfs/dbraw/zinc/56/10/56/1072561056.db2.gz MIARHUBPKBBHCS-BMFZPTHFSA-N 1 0 377.489 -0.849 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423696890 1072561347 /nfs/dbraw/zinc/56/13/47/1072561347.db2.gz MIARHUBPKBBHCS-IMJJTQAJSA-N 1 0 377.489 -0.849 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423697758 1072561114 /nfs/dbraw/zinc/56/11/14/1072561114.db2.gz NNKQIWALJVZNIW-CVEARBPZSA-N 1 0 385.468 -0.213 20 0 GBADRO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423698252 1072561023 /nfs/dbraw/zinc/56/10/23/1072561023.db2.gz MRLXHMCZXXYDCP-BEFAXECRSA-N 1 0 375.425 -0.484 20 0 GBADRO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423698253 1072561094 /nfs/dbraw/zinc/56/10/94/1072561094.db2.gz MRLXHMCZXXYDCP-DNVCBOLYSA-N 1 0 375.425 -0.484 20 0 GBADRO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423698254 1072561355 /nfs/dbraw/zinc/56/13/55/1072561355.db2.gz MRLXHMCZXXYDCP-HNAYVOBHSA-N 1 0 375.425 -0.484 20 0 GBADRO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423698256 1072561089 /nfs/dbraw/zinc/56/10/89/1072561089.db2.gz MRLXHMCZXXYDCP-KXBFYZLASA-N 1 0 375.425 -0.484 20 0 GBADRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423699514 1072561184 /nfs/dbraw/zinc/56/11/84/1072561184.db2.gz RGJCDXRJPAUBTE-ILXRZTDVSA-N 1 0 384.502 -0.634 20 0 GBADRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423699515 1072561248 /nfs/dbraw/zinc/56/12/48/1072561248.db2.gz RGJCDXRJPAUBTE-QLFBSQMISA-N 1 0 384.502 -0.634 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CCO2)n1 ZINC000423700532 1072561414 /nfs/dbraw/zinc/56/14/14/1072561414.db2.gz UEDJIKHTZJOABB-KCXAZCMYSA-N 1 0 378.477 -0.149 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CCO2)n1 ZINC000423700533 1072560938 /nfs/dbraw/zinc/56/09/38/1072560938.db2.gz UEDJIKHTZJOABB-RCBQFDQVSA-N 1 0 378.477 -0.149 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CCO2)n1 ZINC000423700534 1072561430 /nfs/dbraw/zinc/56/14/30/1072561430.db2.gz UEDJIKHTZJOABB-UHOFOFEASA-N 1 0 378.477 -0.149 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CCO2)n1 ZINC000423700535 1072561448 /nfs/dbraw/zinc/56/14/48/1072561448.db2.gz UEDJIKHTZJOABB-VBNZEHGJSA-N 1 0 378.477 -0.149 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)ncn1 ZINC000423701983 1072561081 /nfs/dbraw/zinc/56/10/81/1072561081.db2.gz XNMFFFRTCIIILY-KBPBESRZSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)ncn1 ZINC000423701986 1072561473 /nfs/dbraw/zinc/56/14/73/1072561473.db2.gz XNMFFFRTCIIILY-KGLIPLIRSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)ncn1 ZINC000423701989 1072561316 /nfs/dbraw/zinc/56/13/16/1072561316.db2.gz XNMFFFRTCIIILY-UONOGXRCSA-N 1 0 376.461 -0.138 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)ncn1 ZINC000423701992 1072561030 /nfs/dbraw/zinc/56/10/30/1072561030.db2.gz XNMFFFRTCIIILY-ZIAGYGMSSA-N 1 0 376.461 -0.138 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000423702313 1072571407 /nfs/dbraw/zinc/57/14/07/1072571407.db2.gz YEFYYPFYEMRFNA-OWCLPIDISA-N 1 0 377.489 -0.056 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000423702316 1072571399 /nfs/dbraw/zinc/57/13/99/1072571399.db2.gz YEFYYPFYEMRFNA-PMPSAXMXSA-N 1 0 377.489 -0.056 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423702328 1072571055 /nfs/dbraw/zinc/57/10/55/1072571055.db2.gz YEPDGQDXODBCLL-OAGGEKHMSA-N 1 0 379.505 -0.602 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423702332 1072571337 /nfs/dbraw/zinc/57/13/37/1072571337.db2.gz YEPDGQDXODBCLL-XHSDSOJGSA-N 1 0 379.505 -0.602 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1)C1CC[NH2+]CC1 ZINC000423702942 1072561170 /nfs/dbraw/zinc/56/11/70/1072561170.db2.gz ZJZGHMVRSPIVFI-UHFFFAOYSA-N 1 0 395.548 -0.010 20 0 GBADRO CC(C)OCCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423703628 1072571248 /nfs/dbraw/zinc/57/12/48/1072571248.db2.gz CHJWUUGSEAJZLT-INIZCTEOSA-N 1 0 382.505 -0.070 20 0 GBADRO CC(C)OCCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423703629 1072571588 /nfs/dbraw/zinc/57/15/88/1072571588.db2.gz CHJWUUGSEAJZLT-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703700 1072571489 /nfs/dbraw/zinc/57/14/89/1072571489.db2.gz CQCRMHRAEQCVMU-GDBMZVCRSA-N 1 0 377.493 -0.157 20 0 GBADRO CC[C@H](C)N1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703701 1072571373 /nfs/dbraw/zinc/57/13/73/1072571373.db2.gz CQCRMHRAEQCVMU-GOEBONIOSA-N 1 0 377.493 -0.157 20 0 GBADRO CC[C@H](C)N1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703702 1072571263 /nfs/dbraw/zinc/57/12/63/1072571263.db2.gz CQCRMHRAEQCVMU-HOCLYGCPSA-N 1 0 377.493 -0.157 20 0 GBADRO CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703704 1072571004 /nfs/dbraw/zinc/57/10/04/1072571004.db2.gz CQCRMHRAEQCVMU-ZBFHGGJFSA-N 1 0 377.493 -0.157 20 0 GBADRO CCC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423704316 1072565437 /nfs/dbraw/zinc/56/54/37/1072565437.db2.gz DXEZJWPLVZZTDT-JXFKEZNVSA-N 1 0 394.516 -0.332 20 0 GBADRO CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423704317 1072565805 /nfs/dbraw/zinc/56/58/05/1072565805.db2.gz DXEZJWPLVZZTDT-OXJNMPFZSA-N 1 0 394.516 -0.332 20 0 GBADRO CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423704318 1072566104 /nfs/dbraw/zinc/56/61/04/1072566104.db2.gz DXEZJWPLVZZTDT-OXQOHEQNSA-N 1 0 394.516 -0.332 20 0 GBADRO CCC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423704319 1072565912 /nfs/dbraw/zinc/56/59/12/1072565912.db2.gz DXEZJWPLVZZTDT-UZLBHIALSA-N 1 0 394.516 -0.332 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)Nc1ccccc1 ZINC000423705923 1072566046 /nfs/dbraw/zinc/56/60/46/1072566046.db2.gz ABDMFBKAJKESHR-WBVHZDCISA-N 1 0 385.468 -0.410 20 0 GBADRO CCOc1cc(C)nc(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)n1 ZINC000423706003 1072565599 /nfs/dbraw/zinc/56/55/99/1072565599.db2.gz ASJFLHMUETWIIT-CABCVRRESA-N 1 0 388.472 -0.347 20 0 GBADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423706408 1072565621 /nfs/dbraw/zinc/56/56/21/1072565621.db2.gz BMMPXVWQAMIANG-JLJPHGGASA-N 1 0 378.448 -0.396 20 0 GBADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423706409 1072565728 /nfs/dbraw/zinc/56/57/28/1072565728.db2.gz BMMPXVWQAMIANG-UKPHBRMFSA-N 1 0 378.448 -0.396 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCS1(=O)=O ZINC000423706423 1072565940 /nfs/dbraw/zinc/56/59/40/1072565940.db2.gz JDMWZRYLOFUXHM-BMFZPTHFSA-N 1 0 379.482 -0.167 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCS1(=O)=O ZINC000423706424 1072565588 /nfs/dbraw/zinc/56/55/88/1072565588.db2.gz JDMWZRYLOFUXHM-IMJJTQAJSA-N 1 0 379.482 -0.167 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000423707335 1072565921 /nfs/dbraw/zinc/56/59/21/1072565921.db2.gz DIJXRAAQJHVBSV-INIZCTEOSA-N 1 0 375.473 -0.575 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000423707339 1072565574 /nfs/dbraw/zinc/56/55/74/1072565574.db2.gz DIJXRAAQJHVBSV-MRXNPFEDSA-N 1 0 375.473 -0.575 20 0 GBADRO O=C(C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423708136 1072565928 /nfs/dbraw/zinc/56/59/28/1072565928.db2.gz GDSZXUGABQNLKD-WBVHZDCISA-N 1 0 382.468 -0.201 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000423708904 1072566140 /nfs/dbraw/zinc/56/61/40/1072566140.db2.gz HQIRVXJRFMSDCH-WBVHZDCISA-N 1 0 386.452 -0.200 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@H](C)N1CCO ZINC000423709335 1072565872 /nfs/dbraw/zinc/56/58/72/1072565872.db2.gz IJXLNUGUGSBPLK-JSSFPYSZSA-N 1 0 392.475 -0.008 20 0 GBADRO O=C(C(=O)N1CCN(CCCOCC(F)(F)F)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423709832 1072565498 /nfs/dbraw/zinc/56/54/98/1072565498.db2.gz JJAVMNSONPKDTF-KGLIPLIRSA-N 1 0 392.422 -0.080 20 0 GBADRO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423710241 1072566449 /nfs/dbraw/zinc/56/64/49/1072566449.db2.gz PAWSGQGSUMEUDV-INIZCTEOSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423710242 1072566846 /nfs/dbraw/zinc/56/68/46/1072566846.db2.gz PAWSGQGSUMEUDV-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423710816 1072566531 /nfs/dbraw/zinc/56/65/31/1072566531.db2.gz LKNXCVZLDANTEW-IKGGRYGDSA-N 1 0 385.468 -0.823 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423710817 1072566427 /nfs/dbraw/zinc/56/64/27/1072566427.db2.gz LKNXCVZLDANTEW-IXDOHACOSA-N 1 0 385.468 -0.823 20 0 GBADRO O=C(C(=O)N1CCN(Cc2nccn2C(F)F)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423710838 1072566455 /nfs/dbraw/zinc/56/64/55/1072566455.db2.gz LPHXASBCSJPGSV-OLZOCXBDSA-N 1 0 382.415 -0.257 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)NCc1ccccc1 ZINC000423711540 1072567080 /nfs/dbraw/zinc/56/70/80/1072567080.db2.gz MMPRVYKKQJQVEL-MSOLQXFVSA-N 1 0 399.495 -0.733 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC[NH2+]1 ZINC000423711623 1072566806 /nfs/dbraw/zinc/56/68/06/1072566806.db2.gz MZUQDQUTTUGAQS-CYBMUJFWSA-N 1 0 386.518 -0.483 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC[NH2+]1 ZINC000423711625 1072566508 /nfs/dbraw/zinc/56/65/08/1072566508.db2.gz MZUQDQUTTUGAQS-ZDUSSCGKSA-N 1 0 386.518 -0.483 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423711785 1072566568 /nfs/dbraw/zinc/56/65/68/1072566568.db2.gz CKMHCICBJNFGKW-CYBMUJFWSA-N 1 0 380.420 -0.319 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000423711786 1072567072 /nfs/dbraw/zinc/56/70/72/1072567072.db2.gz CKMHCICBJNFGKW-ZDUSSCGKSA-N 1 0 380.420 -0.319 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000423711931 1072566977 /nfs/dbraw/zinc/56/69/77/1072566977.db2.gz CQFYENGWPSZGQC-HNNXBMFYSA-N 1 0 376.457 -0.150 20 0 GBADRO Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000423711932 1072566780 /nfs/dbraw/zinc/56/67/80/1072566780.db2.gz CQFYENGWPSZGQC-OAHLLOKOSA-N 1 0 376.457 -0.150 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)nc1 ZINC000423712336 1072567063 /nfs/dbraw/zinc/56/70/63/1072567063.db2.gz CZMQDSMLRRMRLC-CYBMUJFWSA-N 1 0 377.445 -0.288 20 0 GBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)nc1 ZINC000423712338 1072566763 /nfs/dbraw/zinc/56/67/63/1072566763.db2.gz CZMQDSMLRRMRLC-ZDUSSCGKSA-N 1 0 377.445 -0.288 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1C ZINC000423712603 1072566873 /nfs/dbraw/zinc/56/68/73/1072566873.db2.gz DBZGQYSOJYVDTQ-HNNXBMFYSA-N 1 0 396.513 -0.058 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1C ZINC000423712605 1072566864 /nfs/dbraw/zinc/56/68/64/1072566864.db2.gz DBZGQYSOJYVDTQ-OAHLLOKOSA-N 1 0 396.513 -0.058 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423712632 1072566959 /nfs/dbraw/zinc/56/69/59/1072566959.db2.gz DEEOIHKQBKFBNF-AWEZNQCLSA-N 1 0 386.460 -0.627 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000423712634 1072566933 /nfs/dbraw/zinc/56/69/33/1072566933.db2.gz DEEOIHKQBKFBNF-CQSZACIVSA-N 1 0 386.460 -0.627 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)s1 ZINC000423712692 1072567094 /nfs/dbraw/zinc/56/70/94/1072567094.db2.gz DHZKFSJVRRGDKK-LLVKDONJSA-N 1 0 383.474 -0.226 20 0 GBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)s1 ZINC000423712697 1072567026 /nfs/dbraw/zinc/56/70/26/1072567026.db2.gz DHZKFSJVRRGDKK-NSHDSACASA-N 1 0 383.474 -0.226 20 0 GBADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423712908 1072566647 /nfs/dbraw/zinc/56/66/47/1072566647.db2.gz URTJOUUFKCDVOH-AWEZNQCLSA-N 1 0 395.504 -0.970 20 0 GBADRO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423712911 1072566995 /nfs/dbraw/zinc/56/69/95/1072566995.db2.gz URTJOUUFKCDVOH-CQSZACIVSA-N 1 0 395.504 -0.970 20 0 GBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423713259 1072566407 /nfs/dbraw/zinc/56/64/07/1072566407.db2.gz QCOKMIHBLXLSMP-UHFFFAOYSA-N 1 0 398.485 -0.618 20 0 GBADRO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423713349 1072566886 /nfs/dbraw/zinc/56/68/86/1072566886.db2.gz VKCCHJIMJFTDGS-JXFKEZNVSA-N 1 0 389.452 -0.094 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000423713354 1072566702 /nfs/dbraw/zinc/56/67/02/1072566702.db2.gz FETPONVZFDMYIN-AWEZNQCLSA-N 1 0 382.486 -0.107 20 0 GBADRO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423713355 1072566824 /nfs/dbraw/zinc/56/68/24/1072566824.db2.gz VKCCHJIMJFTDGS-OXJNMPFZSA-N 1 0 389.452 -0.094 20 0 GBADRO COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423713357 1072566748 /nfs/dbraw/zinc/56/67/48/1072566748.db2.gz VKCCHJIMJFTDGS-OXQOHEQNSA-N 1 0 389.452 -0.094 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000423713358 1072567012 /nfs/dbraw/zinc/56/70/12/1072567012.db2.gz FETPONVZFDMYIN-CQSZACIVSA-N 1 0 382.486 -0.107 20 0 GBADRO COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423713359 1072566834 /nfs/dbraw/zinc/56/68/34/1072566834.db2.gz VKCCHJIMJFTDGS-UZLBHIALSA-N 1 0 389.452 -0.094 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423713806 1072566857 /nfs/dbraw/zinc/56/68/57/1072566857.db2.gz FOIAEUMBDAFCSZ-CYBMUJFWSA-N 1 0 397.501 -0.951 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423713808 1072566969 /nfs/dbraw/zinc/56/69/69/1072566969.db2.gz FOIAEUMBDAFCSZ-ZDUSSCGKSA-N 1 0 397.501 -0.951 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000423714255 1072566907 /nfs/dbraw/zinc/56/69/07/1072566907.db2.gz GCIFMXACEJMSJV-GFCCVEGCSA-N 1 0 376.413 -0.495 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000423714256 1072566730 /nfs/dbraw/zinc/56/67/30/1072566730.db2.gz GCIFMXACEJMSJV-LBPRGKRZSA-N 1 0 376.413 -0.495 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000423714263 1072566928 /nfs/dbraw/zinc/56/69/28/1072566928.db2.gz GDNFZCFRWCSRHN-AWEZNQCLSA-N 1 0 389.522 -0.943 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000423714264 1072566915 /nfs/dbraw/zinc/56/69/15/1072566915.db2.gz GDNFZCFRWCSRHN-CQSZACIVSA-N 1 0 389.522 -0.943 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423714580 1072566922 /nfs/dbraw/zinc/56/69/22/1072566922.db2.gz GKIRBHMOZPSMHO-CYBMUJFWSA-N 1 0 392.456 -0.206 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423714586 1072566984 /nfs/dbraw/zinc/56/69/84/1072566984.db2.gz GKIRBHMOZPSMHO-ZDUSSCGKSA-N 1 0 392.456 -0.206 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000423714638 1072567479 /nfs/dbraw/zinc/56/74/79/1072567479.db2.gz GPFLKOXHLPUFQJ-CVEARBPZSA-N 1 0 378.477 -0.277 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000423714640 1072567431 /nfs/dbraw/zinc/56/74/31/1072567431.db2.gz GPFLKOXHLPUFQJ-HOTGVXAUSA-N 1 0 378.477 -0.277 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000423714641 1072567682 /nfs/dbraw/zinc/56/76/82/1072567682.db2.gz GPFLKOXHLPUFQJ-HZPDHXFCSA-N 1 0 378.477 -0.277 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000423714643 1072567885 /nfs/dbraw/zinc/56/78/85/1072567885.db2.gz GPFLKOXHLPUFQJ-JKSUJKDBSA-N 1 0 378.477 -0.277 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423714904 1072566606 /nfs/dbraw/zinc/56/66/06/1072566606.db2.gz GTOSPWOBEACLSQ-GOEBONIOSA-N 1 0 390.488 -0.307 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000423714906 1072567338 /nfs/dbraw/zinc/56/73/38/1072567338.db2.gz GTOSPWOBEACLSQ-HOCLYGCPSA-N 1 0 390.488 -0.307 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000423715275 1072568017 /nfs/dbraw/zinc/56/80/17/1072568017.db2.gz HEBHUHPABGJVJR-AWEZNQCLSA-N 1 0 382.486 -0.366 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000423715276 1072567922 /nfs/dbraw/zinc/56/79/22/1072567922.db2.gz HEBHUHPABGJVJR-CQSZACIVSA-N 1 0 382.486 -0.366 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@]2(C1)CCCOC2 ZINC000423715412 1072567645 /nfs/dbraw/zinc/56/76/45/1072567645.db2.gz YXJISRATSSJQOM-JXFKEZNVSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@]2(C1)CCCOC2 ZINC000423715415 1072567539 /nfs/dbraw/zinc/56/75/39/1072567539.db2.gz YXJISRATSSJQOM-OXJNMPFZSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@]2(C1)CCCOC2 ZINC000423715417 1072567964 /nfs/dbraw/zinc/56/79/64/1072567964.db2.gz YXJISRATSSJQOM-OXQOHEQNSA-N 1 0 392.500 -0.314 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@]2(C1)CCCOC2 ZINC000423715418 1072567861 /nfs/dbraw/zinc/56/78/61/1072567861.db2.gz YXJISRATSSJQOM-UZLBHIALSA-N 1 0 392.500 -0.314 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000423715768 1072567938 /nfs/dbraw/zinc/56/79/38/1072567938.db2.gz HQSKHTLRZSXKDH-KBPBESRZSA-N 1 0 392.460 -0.171 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000423715771 1072567460 /nfs/dbraw/zinc/56/74/60/1072567460.db2.gz HQSKHTLRZSXKDH-KGLIPLIRSA-N 1 0 392.460 -0.171 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000423715773 1072567361 /nfs/dbraw/zinc/56/73/61/1072567361.db2.gz HQSKHTLRZSXKDH-UONOGXRCSA-N 1 0 392.460 -0.171 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000423715776 1072567417 /nfs/dbraw/zinc/56/74/17/1072567417.db2.gz HQSKHTLRZSXKDH-ZIAGYGMSSA-N 1 0 392.460 -0.171 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cs1 ZINC000423715869 530356391 /nfs/dbraw/zinc/35/63/91/530356391.db2.gz HVYCFCIWPOVJSG-JTQLQIEISA-N 1 0 389.503 -0.910 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cs1 ZINC000423715875 530356376 /nfs/dbraw/zinc/35/63/76/530356376.db2.gz HVYCFCIWPOVJSG-SNVBAGLBSA-N 1 0 389.503 -0.910 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423715991 1072567410 /nfs/dbraw/zinc/56/74/10/1072567410.db2.gz VMNZPOFQWBXAOE-INMHGKMJSA-N 1 0 391.516 -0.602 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423715992 1072567529 /nfs/dbraw/zinc/56/75/29/1072567529.db2.gz VMNZPOFQWBXAOE-UXLLHSPISA-N 1 0 391.516 -0.602 20 0 GBADRO O=C(Cc1ccccc1F)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423716532 1072567707 /nfs/dbraw/zinc/56/77/07/1072567707.db2.gz XOJHIIPVWQEUAT-WBVHZDCISA-N 1 0 388.443 -0.141 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000423716567 1072567960 /nfs/dbraw/zinc/56/79/60/1072567960.db2.gz XQLLWVIVCZXRQL-KFWWJZLASA-N 1 0 379.457 -0.375 20 0 GBADRO COC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000423716569 1072567725 /nfs/dbraw/zinc/56/77/25/1072567725.db2.gz XQLLWVIVCZXRQL-ZNMIVQPWSA-N 1 0 379.457 -0.375 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c(OC)c1 ZINC000423717073 1072567447 /nfs/dbraw/zinc/56/74/47/1072567447.db2.gz JGSJFHALGWYEML-CYBMUJFWSA-N 1 0 392.456 -0.206 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c(OC)c1 ZINC000423717074 1072567519 /nfs/dbraw/zinc/56/75/19/1072567519.db2.gz JGSJFHALGWYEML-ZDUSSCGKSA-N 1 0 392.456 -0.206 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000423717252 1072567565 /nfs/dbraw/zinc/56/75/65/1072567565.db2.gz ZLKYOUNPISPIGC-WBVHZDCISA-N 1 0 386.452 -0.200 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@](O)(CO)C2)CC[C@H]1c1ccc(F)cc1 ZINC000423717686 1072567632 /nfs/dbraw/zinc/56/76/32/1072567632.db2.gz AOQJNTQRXBVMQZ-FCEWJHQRSA-N 1 0 379.432 -0.185 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@](O)(CO)C2)CC[C@H]1c1ccc(F)cc1 ZINC000423717687 1072567576 /nfs/dbraw/zinc/56/75/76/1072567576.db2.gz AOQJNTQRXBVMQZ-FRQCXROJSA-N 1 0 379.432 -0.185 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423717865 1072567853 /nfs/dbraw/zinc/56/78/53/1072567853.db2.gz KNZKGYLJHZZLRG-AWEZNQCLSA-N 1 0 391.538 -0.697 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423717866 1072567768 /nfs/dbraw/zinc/56/77/68/1072567768.db2.gz KNZKGYLJHZZLRG-CQSZACIVSA-N 1 0 391.538 -0.697 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)[C@H]1C[NH3+] ZINC000423717972 1072567932 /nfs/dbraw/zinc/56/79/32/1072567932.db2.gz BLNLWZLYIUWRPM-KBPBESRZSA-N 1 0 376.461 -0.985 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)[C@H]1C[NH3+] ZINC000423717975 1072567818 /nfs/dbraw/zinc/56/78/18/1072567818.db2.gz BLNLWZLYIUWRPM-KGLIPLIRSA-N 1 0 376.461 -0.985 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)[C@@H]1C[NH3+] ZINC000423717977 1072567805 /nfs/dbraw/zinc/56/78/05/1072567805.db2.gz BLNLWZLYIUWRPM-UONOGXRCSA-N 1 0 376.461 -0.985 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)[C@@H]1C[NH3+] ZINC000423717979 1072567977 /nfs/dbraw/zinc/56/79/77/1072567977.db2.gz BLNLWZLYIUWRPM-ZIAGYGMSSA-N 1 0 376.461 -0.985 20 0 GBADRO NC(=O)[C@]1(O)CCCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423718057 1072567612 /nfs/dbraw/zinc/56/76/12/1072567612.db2.gz AWVIXMSQIMTLOT-KHYOSLBOSA-N 1 0 392.431 -0.692 20 0 GBADRO NC(=O)[C@@]1(O)CCCN(C(=O)C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1 ZINC000423718058 1072567826 /nfs/dbraw/zinc/56/78/26/1072567826.db2.gz AWVIXMSQIMTLOT-QMTMVMCOSA-N 1 0 392.431 -0.692 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000423719152 1072567739 /nfs/dbraw/zinc/56/77/39/1072567739.db2.gz MEKNMVCYKNTUJI-HWOWSKLDSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000423719153 1072567757 /nfs/dbraw/zinc/56/77/57/1072567757.db2.gz MEKNMVCYKNTUJI-PCKAHOCUSA-N 1 0 381.521 -0.369 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423719182 1072567592 /nfs/dbraw/zinc/56/75/92/1072567592.db2.gz MKDNPOATZOZSTR-HNNXBMFYSA-N 1 0 396.513 -0.058 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423719183 1072567876 /nfs/dbraw/zinc/56/78/76/1072567876.db2.gz MKDNPOATZOZSTR-OAHLLOKOSA-N 1 0 396.513 -0.058 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000423719677 1072568377 /nfs/dbraw/zinc/56/83/77/1072568377.db2.gz NCZKJXVUMFJGBF-AWEZNQCLSA-N 1 0 394.476 -0.539 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 ZINC000423719679 1072568281 /nfs/dbraw/zinc/56/82/81/1072568281.db2.gz NCZKJXVUMFJGBF-CQSZACIVSA-N 1 0 394.476 -0.539 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423720212 1072568473 /nfs/dbraw/zinc/56/84/73/1072568473.db2.gz DFVUOKUKBNNPPI-HRCADAONSA-N 1 0 381.521 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423720214 1072568442 /nfs/dbraw/zinc/56/84/42/1072568442.db2.gz DFVUOKUKBNNPPI-JYJNAYRXSA-N 1 0 381.521 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423720216 1072568464 /nfs/dbraw/zinc/56/84/64/1072568464.db2.gz DFVUOKUKBNNPPI-OWCLPIDISA-N 1 0 381.521 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423720218 1072568657 /nfs/dbraw/zinc/56/86/57/1072568657.db2.gz DFVUOKUKBNNPPI-PMPSAXMXSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000423720409 1072568366 /nfs/dbraw/zinc/56/83/66/1072568366.db2.gz NTTWFOJESAQIGJ-HNNXBMFYSA-N 1 0 381.521 -0.273 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000423720412 1072568741 /nfs/dbraw/zinc/56/87/41/1072568741.db2.gz NTTWFOJESAQIGJ-OAHLLOKOSA-N 1 0 381.521 -0.273 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000423721610 1072568345 /nfs/dbraw/zinc/56/83/45/1072568345.db2.gz OYLXRSCVWNTXMN-CHWSQXEVSA-N 1 0 388.424 -0.684 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000423721614 1072568431 /nfs/dbraw/zinc/56/84/31/1072568431.db2.gz OYLXRSCVWNTXMN-OLZOCXBDSA-N 1 0 388.424 -0.684 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000423721616 1072568545 /nfs/dbraw/zinc/56/85/45/1072568545.db2.gz OYLXRSCVWNTXMN-QWHCGFSZSA-N 1 0 388.424 -0.684 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000423721618 1072568566 /nfs/dbraw/zinc/56/85/66/1072568566.db2.gz OYLXRSCVWNTXMN-STQMWFEESA-N 1 0 388.424 -0.684 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423721746 1072568642 /nfs/dbraw/zinc/56/86/42/1072568642.db2.gz FTMWSUWOVFGQRV-BZSNNMDCSA-N 1 0 399.495 -0.575 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423721749 1072568722 /nfs/dbraw/zinc/56/87/22/1072568722.db2.gz FTMWSUWOVFGQRV-KSZLIROESA-N 1 0 399.495 -0.575 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423721751 1072568500 /nfs/dbraw/zinc/56/85/00/1072568500.db2.gz FTMWSUWOVFGQRV-KURKYZTESA-N 1 0 399.495 -0.575 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423721753 1072568608 /nfs/dbraw/zinc/56/86/08/1072568608.db2.gz FTMWSUWOVFGQRV-SQNIBIBYSA-N 1 0 399.495 -0.575 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000423722158 1072568763 /nfs/dbraw/zinc/56/87/63/1072568763.db2.gz PMBMCAMYSOPQIL-GFCCVEGCSA-N 1 0 386.449 -0.536 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000423722159 1072568329 /nfs/dbraw/zinc/56/83/29/1072568329.db2.gz PMBMCAMYSOPQIL-LBPRGKRZSA-N 1 0 386.449 -0.536 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423722472 1072569212 /nfs/dbraw/zinc/56/92/12/1072569212.db2.gz FVINNOJVWMQHHD-DZGCQCFKSA-N 1 0 388.534 -0.107 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423722477 1072569064 /nfs/dbraw/zinc/56/90/64/1072569064.db2.gz FVINNOJVWMQHHD-HIFRSBDPSA-N 1 0 388.534 -0.107 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423722479 1072569054 /nfs/dbraw/zinc/56/90/54/1072569054.db2.gz FVINNOJVWMQHHD-UKRRQHHQSA-N 1 0 388.534 -0.107 20 0 GBADRO CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423722483 1072569454 /nfs/dbraw/zinc/56/94/54/1072569454.db2.gz FVINNOJVWMQHHD-ZFWWWQNUSA-N 1 0 388.534 -0.107 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423722536 1072569090 /nfs/dbraw/zinc/56/90/90/1072569090.db2.gz GINNVZYTRGCSPP-DLBZAZTESA-N 1 0 393.532 -0.353 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423722537 1072569157 /nfs/dbraw/zinc/56/91/57/1072569157.db2.gz GINNVZYTRGCSPP-IAGOWNOFSA-N 1 0 393.532 -0.353 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423722539 1072569188 /nfs/dbraw/zinc/56/91/88/1072569188.db2.gz GINNVZYTRGCSPP-IRXDYDNUSA-N 1 0 393.532 -0.353 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423722542 1072569136 /nfs/dbraw/zinc/56/91/36/1072569136.db2.gz GINNVZYTRGCSPP-SJORKVTESA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000423722678 1072569377 /nfs/dbraw/zinc/56/93/77/1072569377.db2.gz PQAJJGIEMUHVQG-BZUAXINKSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000423722680 1072569354 /nfs/dbraw/zinc/56/93/54/1072569354.db2.gz PQAJJGIEMUHVQG-OAGGEKHMSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000423722681 1072569229 /nfs/dbraw/zinc/56/92/29/1072569229.db2.gz PQAJJGIEMUHVQG-OWCLPIDISA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000423722683 1072569083 /nfs/dbraw/zinc/56/90/83/1072569083.db2.gz PQAJJGIEMUHVQG-PMPSAXMXSA-N 1 0 381.521 -0.369 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1OC ZINC000423722738 1072569283 /nfs/dbraw/zinc/56/92/83/1072569283.db2.gz PXBYZKJOZVAKDX-CYBMUJFWSA-N 1 0 392.456 -0.206 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1OC ZINC000423722739 1072569389 /nfs/dbraw/zinc/56/93/89/1072569389.db2.gz PXBYZKJOZVAKDX-ZDUSSCGKSA-N 1 0 392.456 -0.206 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)[C@H]1C[NH3+] ZINC000423722856 1072568395 /nfs/dbraw/zinc/56/83/95/1072568395.db2.gz GADPYQSUWKAXNS-ILXRZTDVSA-N 1 0 388.534 -0.298 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)[C@H]1C[NH3+] ZINC000423722862 1072568456 /nfs/dbraw/zinc/56/84/56/1072568456.db2.gz GADPYQSUWKAXNS-KFWWJZLASA-N 1 0 388.534 -0.298 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)[C@@H]1C[NH3+] ZINC000423722864 1072569273 /nfs/dbraw/zinc/56/92/73/1072569273.db2.gz GADPYQSUWKAXNS-QLFBSQMISA-N 1 0 388.534 -0.298 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)[C@@H]1C[NH3+] ZINC000423722866 1072569262 /nfs/dbraw/zinc/56/92/62/1072569262.db2.gz GADPYQSUWKAXNS-RBSFLKMASA-N 1 0 388.534 -0.298 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423723470 1072569423 /nfs/dbraw/zinc/56/94/23/1072569423.db2.gz GNMBTGZFXRNQSB-BZUAXINKSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423723471 1072569103 /nfs/dbraw/zinc/56/91/03/1072569103.db2.gz GNMBTGZFXRNQSB-OAGGEKHMSA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)[C@@H]1C[NH3+] ZINC000423723472 1072569199 /nfs/dbraw/zinc/56/91/99/1072569199.db2.gz GNMBTGZFXRNQSB-OWCLPIDISA-N 1 0 380.489 -0.330 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)[C@H]1C[NH3+] ZINC000423723473 1072569219 /nfs/dbraw/zinc/56/92/19/1072569219.db2.gz GNMBTGZFXRNQSB-PMPSAXMXSA-N 1 0 380.489 -0.330 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423723974 1072569046 /nfs/dbraw/zinc/56/90/46/1072569046.db2.gz GVXIRYMZZPEZBK-CVEARBPZSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423723975 1072569411 /nfs/dbraw/zinc/56/94/11/1072569411.db2.gz GVXIRYMZZPEZBK-HOTGVXAUSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423723976 1072569178 /nfs/dbraw/zinc/56/91/78/1072569178.db2.gz GVXIRYMZZPEZBK-HZPDHXFCSA-N 1 0 381.521 -0.415 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423723977 1072569476 /nfs/dbraw/zinc/56/94/76/1072569476.db2.gz GVXIRYMZZPEZBK-JKSUJKDBSA-N 1 0 381.521 -0.415 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1OC ZINC000423724047 1072569071 /nfs/dbraw/zinc/56/90/71/1072569071.db2.gz RFXULRRCKNKSRO-CYBMUJFWSA-N 1 0 392.456 -0.206 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1OC ZINC000423724048 1072569109 /nfs/dbraw/zinc/56/91/09/1072569109.db2.gz RFXULRRCKNKSRO-ZDUSSCGKSA-N 1 0 392.456 -0.206 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)n1 ZINC000423725095 1072569250 /nfs/dbraw/zinc/56/92/50/1072569250.db2.gz HKRLLDCGDBWABC-KBPBESRZSA-N 1 0 394.476 -0.554 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)n1 ZINC000423725096 1072569122 /nfs/dbraw/zinc/56/91/22/1072569122.db2.gz HKRLLDCGDBWABC-KGLIPLIRSA-N 1 0 394.476 -0.554 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)n1 ZINC000423725098 1072569164 /nfs/dbraw/zinc/56/91/64/1072569164.db2.gz HKRLLDCGDBWABC-UONOGXRCSA-N 1 0 394.476 -0.554 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)n1 ZINC000423725100 1072569129 /nfs/dbraw/zinc/56/91/29/1072569129.db2.gz HKRLLDCGDBWABC-ZIAGYGMSSA-N 1 0 394.476 -0.554 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)[C@@H]1C[NH3+] ZINC000423725103 1072569332 /nfs/dbraw/zinc/56/93/32/1072569332.db2.gz HLKKMPYZWXUBPO-DLBZAZTESA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)[C@@H]1C[NH3+] ZINC000423725105 1072569149 /nfs/dbraw/zinc/56/91/49/1072569149.db2.gz HLKKMPYZWXUBPO-IAGOWNOFSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)[C@H]1C[NH3+] ZINC000423725107 1072569240 /nfs/dbraw/zinc/56/92/40/1072569240.db2.gz HLKKMPYZWXUBPO-IRXDYDNUSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)[C@H]1C[NH3+] ZINC000423725109 1072569432 /nfs/dbraw/zinc/56/94/32/1072569432.db2.gz HLKKMPYZWXUBPO-SJORKVTESA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423725281 1072570280 /nfs/dbraw/zinc/57/02/80/1072570280.db2.gz SFHWJAGGLJZXAE-CYBMUJFWSA-N 1 0 379.436 -0.286 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000423725282 1072569866 /nfs/dbraw/zinc/56/98/66/1072569866.db2.gz SFHWJAGGLJZXAE-ZDUSSCGKSA-N 1 0 379.436 -0.286 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423725922 1072569447 /nfs/dbraw/zinc/56/94/47/1072569447.db2.gz TWIKVJKZJCCXSP-HNNXBMFYSA-N 1 0 375.473 -0.747 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000423725923 1072569037 /nfs/dbraw/zinc/56/90/37/1072569037.db2.gz TWIKVJKZJCCXSP-OAHLLOKOSA-N 1 0 375.473 -0.747 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@H](C)N1CCO ZINC000423726011 1072569296 /nfs/dbraw/zinc/56/92/96/1072569296.db2.gz JKUZFVSMTDSHRR-IHETXDGRSA-N 1 0 392.475 -0.008 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423726108 1073536982 /nfs/dbraw/zinc/53/69/82/1073536982.db2.gz JVDPRNGXUSPZGV-DYESRHJHSA-N 1 0 399.495 -0.288 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423726110 1073537790 /nfs/dbraw/zinc/53/77/90/1073537790.db2.gz JVDPRNGXUSPZGV-LAUBAEHRSA-N 1 0 399.495 -0.288 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423726113 1073537100 /nfs/dbraw/zinc/53/71/00/1073537100.db2.gz JVDPRNGXUSPZGV-UTKZUKDTSA-N 1 0 399.495 -0.288 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423726114 1073536770 /nfs/dbraw/zinc/53/67/70/1073536770.db2.gz JVDPRNGXUSPZGV-UWJYYQICSA-N 1 0 399.495 -0.288 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423726153 1072569400 /nfs/dbraw/zinc/56/94/00/1072569400.db2.gz IGFIDAGVFROUNY-CVEARBPZSA-N 1 0 379.505 -0.661 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423726154 1072569014 /nfs/dbraw/zinc/56/90/14/1072569014.db2.gz IGFIDAGVFROUNY-HOTGVXAUSA-N 1 0 379.505 -0.661 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423726155 1072569465 /nfs/dbraw/zinc/56/94/65/1072569465.db2.gz IGFIDAGVFROUNY-HZPDHXFCSA-N 1 0 379.505 -0.661 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423726156 1072569503 /nfs/dbraw/zinc/56/95/03/1072569503.db2.gz IGFIDAGVFROUNY-JKSUJKDBSA-N 1 0 379.505 -0.661 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000423726274 1072570694 /nfs/dbraw/zinc/57/06/94/1072570694.db2.gz TYBZVPDJROKLHK-AWEZNQCLSA-N 1 0 393.463 -0.495 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000423726278 1072569889 /nfs/dbraw/zinc/56/98/89/1072569889.db2.gz TYBZVPDJROKLHK-CQSZACIVSA-N 1 0 393.463 -0.495 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000423726450 1072570585 /nfs/dbraw/zinc/57/05/85/1072570585.db2.gz UGBYLZFWIVPMJI-AWEZNQCLSA-N 1 0 376.461 -0.971 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000423726453 1072570297 /nfs/dbraw/zinc/57/02/97/1072570297.db2.gz UGBYLZFWIVPMJI-CQSZACIVSA-N 1 0 376.461 -0.971 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC12COC2 ZINC000423726636 1072570256 /nfs/dbraw/zinc/57/02/56/1072570256.db2.gz INZNMTCIYOPDER-HNNXBMFYSA-N 1 0 381.473 -0.127 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC12COC2 ZINC000423726638 1072570141 /nfs/dbraw/zinc/57/01/41/1072570141.db2.gz INZNMTCIYOPDER-OAHLLOKOSA-N 1 0 381.473 -0.127 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000423726951 1072570198 /nfs/dbraw/zinc/57/01/98/1072570198.db2.gz QJTZJXJJHXMGPJ-UHFFFAOYSA-N 1 0 379.505 -0.647 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423727008 1072570086 /nfs/dbraw/zinc/57/00/86/1072570086.db2.gz USTWTEXPYBDSSL-CABCVRRESA-N 1 0 386.518 -0.387 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000423727010 1072570007 /nfs/dbraw/zinc/57/00/07/1072570007.db2.gz USTWTEXPYBDSSL-GJZGRUSLSA-N 1 0 386.518 -0.387 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423727012 1072570242 /nfs/dbraw/zinc/57/02/42/1072570242.db2.gz USTWTEXPYBDSSL-HUUCEWRRSA-N 1 0 386.518 -0.387 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000423727013 1072569771 /nfs/dbraw/zinc/56/97/71/1072569771.db2.gz USTWTEXPYBDSSL-LSDHHAIUSA-N 1 0 386.518 -0.387 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000423728024 1072569958 /nfs/dbraw/zinc/56/99/58/1072569958.db2.gz VRDLDMPPFGZIPG-CYBMUJFWSA-N 1 0 398.485 -0.666 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000423728026 1072570072 /nfs/dbraw/zinc/57/00/72/1072570072.db2.gz VRDLDMPPFGZIPG-ZDUSSCGKSA-N 1 0 398.485 -0.666 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000423728656 1072570415 /nfs/dbraw/zinc/57/04/15/1072570415.db2.gz WGILPJUEGMHHHI-CABCVRRESA-N 1 0 388.534 -0.283 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000423728658 1072570154 /nfs/dbraw/zinc/57/01/54/1072570154.db2.gz WGILPJUEGMHHHI-GJZGRUSLSA-N 1 0 388.534 -0.283 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000423728660 1072570179 /nfs/dbraw/zinc/57/01/79/1072570179.db2.gz WGILPJUEGMHHHI-HUUCEWRRSA-N 1 0 388.534 -0.283 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000423728662 1072570668 /nfs/dbraw/zinc/57/06/68/1072570668.db2.gz WGILPJUEGMHHHI-LSDHHAIUSA-N 1 0 388.534 -0.283 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423728844 1072570213 /nfs/dbraw/zinc/57/02/13/1072570213.db2.gz WHNAIKIQANISLJ-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423728847 1072570539 /nfs/dbraw/zinc/57/05/39/1072570539.db2.gz WHNAIKIQANISLJ-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000423728850 1072569834 /nfs/dbraw/zinc/56/98/34/1072569834.db2.gz WHNAIKIQANISLJ-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000423728852 1072570517 /nfs/dbraw/zinc/57/05/17/1072570517.db2.gz WHNAIKIQANISLJ-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000423728936 1072570043 /nfs/dbraw/zinc/57/00/43/1072570043.db2.gz WKQUIYCEWDRKPA-BZUAXINKSA-N 1 0 381.521 -0.559 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000423728944 1072570346 /nfs/dbraw/zinc/57/03/46/1072570346.db2.gz WKQUIYCEWDRKPA-OAGGEKHMSA-N 1 0 381.521 -0.559 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000423728947 1072570554 /nfs/dbraw/zinc/57/05/54/1072570554.db2.gz WKQUIYCEWDRKPA-OWCLPIDISA-N 1 0 381.521 -0.559 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000423728951 1072570032 /nfs/dbraw/zinc/57/00/32/1072570032.db2.gz WKQUIYCEWDRKPA-XHSDSOJGSA-N 1 0 381.521 -0.559 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423729978 1072570685 /nfs/dbraw/zinc/57/06/85/1072570685.db2.gz XSLHOIXIWVNERZ-AWEZNQCLSA-N 1 0 376.457 -0.286 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423729979 1072569905 /nfs/dbraw/zinc/56/99/05/1072569905.db2.gz XSLHOIXIWVNERZ-CQSZACIVSA-N 1 0 376.457 -0.286 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000423730377 1072570052 /nfs/dbraw/zinc/57/00/52/1072570052.db2.gz XVXNDQKQBXNROH-AWEZNQCLSA-N 1 0 392.460 -0.171 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000423730379 1072570262 /nfs/dbraw/zinc/57/02/62/1072570262.db2.gz XVXNDQKQBXNROH-CQSZACIVSA-N 1 0 392.460 -0.171 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423730945 1072570333 /nfs/dbraw/zinc/57/03/33/1072570333.db2.gz YLZGDSVHDHYFOV-AWEZNQCLSA-N 1 0 382.486 -0.534 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000423730948 1072570482 /nfs/dbraw/zinc/57/04/82/1072570482.db2.gz YLZGDSVHDHYFOV-CQSZACIVSA-N 1 0 382.486 -0.534 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423731172 1072569914 /nfs/dbraw/zinc/56/99/14/1072569914.db2.gz YPKMOIYZMWQDSQ-DOTOQJQBSA-N 1 0 387.484 -0.258 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423731175 1072570322 /nfs/dbraw/zinc/57/03/22/1072570322.db2.gz YPKMOIYZMWQDSQ-NVXWUHKLSA-N 1 0 387.484 -0.258 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423731178 1072569937 /nfs/dbraw/zinc/56/99/37/1072569937.db2.gz YPKMOIYZMWQDSQ-RDJZCZTQSA-N 1 0 387.484 -0.258 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000423731180 1072570493 /nfs/dbraw/zinc/57/04/93/1072570493.db2.gz YPKMOIYZMWQDSQ-WBVHZDCISA-N 1 0 387.484 -0.258 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423731252 1072571201 /nfs/dbraw/zinc/57/12/01/1072571201.db2.gz LUQAXTDDEUQFQS-BRWVUGGUSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423731256 1072570990 /nfs/dbraw/zinc/57/09/90/1072570990.db2.gz LUQAXTDDEUQFQS-IKGGRYGDSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423731258 1072571436 /nfs/dbraw/zinc/57/14/36/1072571436.db2.gz LUQAXTDDEUQFQS-IXDOHACOSA-N 1 0 393.532 -0.273 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423731452 1072571077 /nfs/dbraw/zinc/57/10/77/1072571077.db2.gz OFNVOCZYVXSLRL-OHFALNGGSA-N 1 0 392.479 -0.389 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000423731616 1072571112 /nfs/dbraw/zinc/57/11/12/1072571112.db2.gz ZBPRQLMMPNEADN-OAHLLOKOSA-N 1 0 396.488 -0.495 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423731726 1072570951 /nfs/dbraw/zinc/57/09/51/1072570951.db2.gz MBFDURUWWKFPKY-CLCXKQKWSA-N 1 0 380.489 -0.452 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423731727 1072571445 /nfs/dbraw/zinc/57/14/45/1072571445.db2.gz YGBPYTSVIBMDIF-INIZCTEOSA-N 1 0 387.484 -0.432 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CC[NH2+]1 ZINC000423731728 1072571617 /nfs/dbraw/zinc/57/16/17/1072571617.db2.gz YGBPYTSVIBMDIF-MRXNPFEDSA-N 1 0 387.484 -0.432 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423731730 1072571244 /nfs/dbraw/zinc/57/12/44/1072571244.db2.gz MBFDURUWWKFPKY-SPYBWZPUSA-N 1 0 380.489 -0.452 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423731732 1072571604 /nfs/dbraw/zinc/57/16/04/1072571604.db2.gz MBFDURUWWKFPKY-VCBZYWHSSA-N 1 0 380.489 -0.452 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423731734 1072571364 /nfs/dbraw/zinc/57/13/64/1072571364.db2.gz MBFDURUWWKFPKY-ZRGWGRIASA-N 1 0 380.489 -0.452 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)CCN2C1=O ZINC000423731877 1072571428 /nfs/dbraw/zinc/57/14/28/1072571428.db2.gz YSXIEYWAKXRVPD-HNNXBMFYSA-N 1 0 377.489 -0.055 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)CCN2C1=O ZINC000423731879 1072571562 /nfs/dbraw/zinc/57/15/62/1072571562.db2.gz YSXIEYWAKXRVPD-OAHLLOKOSA-N 1 0 377.489 -0.055 20 0 GBADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423732076 1072571039 /nfs/dbraw/zinc/57/10/39/1072571039.db2.gz ZNCUSNXNNXZOFV-HNNXBMFYSA-N 1 0 387.484 -0.475 20 0 GBADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000423732077 1072571138 /nfs/dbraw/zinc/57/11/38/1072571138.db2.gz ZNCUSNXNNXZOFV-OAHLLOKOSA-N 1 0 387.484 -0.475 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)[C@@H]1C[NH3+] ZINC000423732595 1072571191 /nfs/dbraw/zinc/57/11/91/1072571191.db2.gz MSRYYGVPFOEKIX-GXTWGEPZSA-N 1 0 382.486 -0.122 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)[C@H]1C[NH3+] ZINC000423732598 1072570912 /nfs/dbraw/zinc/57/09/12/1072570912.db2.gz MSRYYGVPFOEKIX-JSGCOSHPSA-N 1 0 382.486 -0.122 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)[C@H]1C[NH3+] ZINC000423732599 1072571149 /nfs/dbraw/zinc/57/11/49/1072571149.db2.gz MSRYYGVPFOEKIX-OCCSQVGLSA-N 1 0 382.486 -0.122 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)[C@@H]1C[NH3+] ZINC000423732600 1072571576 /nfs/dbraw/zinc/57/15/76/1072571576.db2.gz MSRYYGVPFOEKIX-TZMCWYRMSA-N 1 0 382.486 -0.122 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000423733601 1072573406 /nfs/dbraw/zinc/57/34/06/1072573406.db2.gz BYRIQZBWVCAHAR-CVEARBPZSA-N 1 0 381.521 -0.354 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000423733603 1072573481 /nfs/dbraw/zinc/57/34/81/1072573481.db2.gz BYRIQZBWVCAHAR-HOTGVXAUSA-N 1 0 381.521 -0.354 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000423733605 1072573263 /nfs/dbraw/zinc/57/32/63/1072573263.db2.gz BYRIQZBWVCAHAR-HZPDHXFCSA-N 1 0 381.521 -0.354 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000423733606 1072572998 /nfs/dbraw/zinc/57/29/98/1072572998.db2.gz BYRIQZBWVCAHAR-JKSUJKDBSA-N 1 0 381.521 -0.354 20 0 GBADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000423733796 1072573204 /nfs/dbraw/zinc/57/32/04/1072573204.db2.gz QERKLWNOBFEIGC-HCXYKTFWSA-N 1 0 384.480 -0.082 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423733876 1072573512 /nfs/dbraw/zinc/57/35/12/1072573512.db2.gz OJVCFAPWFLOLLL-FMKPAKJESA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423733878 1072573556 /nfs/dbraw/zinc/57/35/56/1072573556.db2.gz OJVCFAPWFLOLLL-IIAWOOMASA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423733879 1072573079 /nfs/dbraw/zinc/57/30/79/1072573079.db2.gz OJVCFAPWFLOLLL-IJEWVQPXSA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423733884 1072573164 /nfs/dbraw/zinc/57/31/64/1072573164.db2.gz OJVCFAPWFLOLLL-YCPHGPKFSA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000423734452 1072574110 /nfs/dbraw/zinc/57/41/10/1072574110.db2.gz QXZHRKAFQKPIPV-OLMNPRSZSA-N 1 0 392.475 -0.006 20 0 GBADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000423734456 1072574266 /nfs/dbraw/zinc/57/42/66/1072574266.db2.gz QXZHRKAFQKPIPV-QGTPRVQTSA-N 1 0 392.475 -0.006 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423734551 1072573282 /nfs/dbraw/zinc/57/32/82/1072573282.db2.gz WBIYIHXCOPTCHW-DZGCQCFKSA-N 1 0 382.848 -0.099 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000423734566 1072573518 /nfs/dbraw/zinc/57/35/18/1072573518.db2.gz WBIYIHXCOPTCHW-ZFWWWQNUSA-N 1 0 382.848 -0.099 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000423734724 1072573388 /nfs/dbraw/zinc/57/33/88/1072573388.db2.gz DCYPXBMOUDRQMZ-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000423734725 1072573354 /nfs/dbraw/zinc/57/33/54/1072573354.db2.gz DCYPXBMOUDRQMZ-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000423736503 1072574457 /nfs/dbraw/zinc/57/44/57/1072574457.db2.gz FPWVJLQIOJQXIZ-HNNXBMFYSA-N 1 0 388.534 -0.141 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000423736509 1072573923 /nfs/dbraw/zinc/57/39/23/1072573923.db2.gz FPWVJLQIOJQXIZ-OAHLLOKOSA-N 1 0 388.534 -0.141 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@@H]1C[NH3+] ZINC000423736832 1072574496 /nfs/dbraw/zinc/57/44/96/1072574496.db2.gz PPAHPZJAWWAHBL-DZGCQCFKSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@H]1C[NH3+] ZINC000423736841 1072574234 /nfs/dbraw/zinc/57/42/34/1072574234.db2.gz PPAHPZJAWWAHBL-HIFRSBDPSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@@H]1C[NH3+] ZINC000423736845 1072573831 /nfs/dbraw/zinc/57/38/31/1072573831.db2.gz PPAHPZJAWWAHBL-UKRRQHHQSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@H]1C[NH3+] ZINC000423736850 1072573860 /nfs/dbraw/zinc/57/38/60/1072573860.db2.gz PPAHPZJAWWAHBL-ZFWWWQNUSA-N 1 0 388.472 -0.585 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])C2)nn1 ZINC000423737069 1072574442 /nfs/dbraw/zinc/57/44/42/1072574442.db2.gz PURUGKFAWVOBRJ-GUTXKFCHSA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])C2)nn1 ZINC000423737078 1072574003 /nfs/dbraw/zinc/57/40/03/1072574003.db2.gz PURUGKFAWVOBRJ-GZBFAFLISA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])C2)nn1 ZINC000423737083 1072574420 /nfs/dbraw/zinc/57/44/20/1072574420.db2.gz PURUGKFAWVOBRJ-NFAWXSAZSA-N 1 0 392.460 -0.186 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])C2)nn1 ZINC000423737089 1072574220 /nfs/dbraw/zinc/57/42/20/1072574220.db2.gz PURUGKFAWVOBRJ-UMVBOHGHSA-N 1 0 392.460 -0.186 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1=O ZINC000423737957 1072574035 /nfs/dbraw/zinc/57/40/35/1072574035.db2.gz UQDJXXSINWWBGS-CVEARBPZSA-N 1 0 380.489 -0.316 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1=O ZINC000423737961 1072574083 /nfs/dbraw/zinc/57/40/83/1072574083.db2.gz UQDJXXSINWWBGS-HOTGVXAUSA-N 1 0 380.489 -0.316 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1=O ZINC000423737963 1072574212 /nfs/dbraw/zinc/57/42/12/1072574212.db2.gz UQDJXXSINWWBGS-HZPDHXFCSA-N 1 0 380.489 -0.316 20 0 GBADRO COCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1=O ZINC000423737968 1072573869 /nfs/dbraw/zinc/57/38/69/1072573869.db2.gz UQDJXXSINWWBGS-JKSUJKDBSA-N 1 0 380.489 -0.316 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000423738167 1072574052 /nfs/dbraw/zinc/57/40/52/1072574052.db2.gz GXLCXETVSVIAOS-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000423738169 1072573972 /nfs/dbraw/zinc/57/39/72/1072573972.db2.gz GXLCXETVSVIAOS-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000423738405 1072574361 /nfs/dbraw/zinc/57/43/61/1072574361.db2.gz QLXXUVLATQVFRC-AWEZNQCLSA-N 1 0 382.486 -0.077 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000423738406 1072574243 /nfs/dbraw/zinc/57/42/43/1072574243.db2.gz QLXXUVLATQVFRC-CQSZACIVSA-N 1 0 382.486 -0.077 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000423738411 1072573806 /nfs/dbraw/zinc/57/38/06/1072573806.db2.gz QMSPAYYXVZJKRR-DZKIICNBSA-N 1 0 390.488 -0.321 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000423738412 1072573786 /nfs/dbraw/zinc/57/37/86/1072573786.db2.gz QMSPAYYXVZJKRR-IJEWVQPXSA-N 1 0 390.488 -0.321 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000423738413 1072574131 /nfs/dbraw/zinc/57/41/31/1072574131.db2.gz QMSPAYYXVZJKRR-OFQRWUPVSA-N 1 0 390.488 -0.321 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000423738414 1072574408 /nfs/dbraw/zinc/57/44/08/1072574408.db2.gz QMSPAYYXVZJKRR-YCPHGPKFSA-N 1 0 390.488 -0.321 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)[C@H]1C[NH3+] ZINC000423738415 1072574397 /nfs/dbraw/zinc/57/43/97/1072574397.db2.gz QMWGRECCNBAOBD-KBPBESRZSA-N 1 0 386.460 -0.641 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)[C@H]1C[NH3+] ZINC000423738416 1072574154 /nfs/dbraw/zinc/57/41/54/1072574154.db2.gz QMWGRECCNBAOBD-KGLIPLIRSA-N 1 0 386.460 -0.641 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)[C@@H]1C[NH3+] ZINC000423738417 1072574256 /nfs/dbraw/zinc/57/42/56/1072574256.db2.gz QMWGRECCNBAOBD-UONOGXRCSA-N 1 0 386.460 -0.641 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)[C@@H]1C[NH3+] ZINC000423738418 1072574390 /nfs/dbraw/zinc/57/43/90/1072574390.db2.gz QMWGRECCNBAOBD-ZIAGYGMSSA-N 1 0 386.460 -0.641 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423739406 1072574335 /nfs/dbraw/zinc/57/43/35/1072574335.db2.gz IATINMJKLSRRNR-AWEZNQCLSA-N 1 0 388.472 -0.570 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000423739407 1072573949 /nfs/dbraw/zinc/57/39/49/1072573949.db2.gz IATINMJKLSRRNR-CQSZACIVSA-N 1 0 388.472 -0.570 20 0 GBADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)c1 ZINC000423740445 530356582 /nfs/dbraw/zinc/35/65/82/530356582.db2.gz XFDCXPYLDXORBL-UHFFFAOYSA-N 1 0 387.483 -0.023 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000423741067 1072574175 /nfs/dbraw/zinc/57/41/75/1072574175.db2.gz XTEHSCSJEAEFPD-ZBFHGGJFSA-N 1 0 394.497 -0.448 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)[C@H]1C[NH3+] ZINC000423741267 1072572049 /nfs/dbraw/zinc/57/20/49/1072572049.db2.gz SQOIOBDOMHKOAZ-ILXRZTDVSA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)[C@H]1C[NH3+] ZINC000423741269 1072572366 /nfs/dbraw/zinc/57/23/66/1072572366.db2.gz SQOIOBDOMHKOAZ-KFWWJZLASA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)[C@@H]1C[NH3+] ZINC000423741270 1072572001 /nfs/dbraw/zinc/57/20/01/1072572001.db2.gz SQOIOBDOMHKOAZ-QLFBSQMISA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)[C@@H]1C[NH3+] ZINC000423741271 1072572408 /nfs/dbraw/zinc/57/24/08/1072572408.db2.gz SQOIOBDOMHKOAZ-RBSFLKMASA-N 1 0 386.518 -0.401 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])C2)nn1 ZINC000423741796 1072570967 /nfs/dbraw/zinc/57/09/67/1072570967.db2.gz TWTHZYIRORHOOE-BZPMIXESSA-N 1 0 378.433 -0.576 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])C2)nn1 ZINC000423741797 1072571357 /nfs/dbraw/zinc/57/13/57/1072571357.db2.gz TWTHZYIRORHOOE-OUCADQQQSA-N 1 0 378.433 -0.576 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])C2)nn1 ZINC000423741798 1072571417 /nfs/dbraw/zinc/57/14/17/1072571417.db2.gz TWTHZYIRORHOOE-SCRDCRAPSA-N 1 0 378.433 -0.576 20 0 GBADRO COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])C2)nn1 ZINC000423741799 1072571984 /nfs/dbraw/zinc/57/19/84/1072571984.db2.gz TWTHZYIRORHOOE-YRGRVCCFSA-N 1 0 378.433 -0.576 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423741810 1072572418 /nfs/dbraw/zinc/57/24/18/1072572418.db2.gz TXUIWBZRTFEUKU-ILXRZTDVSA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)[C@H]1C[NH3+] ZINC000423741811 1072572086 /nfs/dbraw/zinc/57/20/86/1072572086.db2.gz TXUIWBZRTFEUKU-KFWWJZLASA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423741812 1072572254 /nfs/dbraw/zinc/57/22/54/1072572254.db2.gz TXUIWBZRTFEUKU-QLFBSQMISA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000423741813 1072572265 /nfs/dbraw/zinc/57/22/65/1072572265.db2.gz TXUIWBZRTFEUKU-RBSFLKMASA-N 1 0 386.518 -0.401 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)ncn1 ZINC000423742303 1072571951 /nfs/dbraw/zinc/57/19/51/1072571951.db2.gz ULTFOCVFOFQRHP-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)ncn1 ZINC000423742306 1072571938 /nfs/dbraw/zinc/57/19/38/1072571938.db2.gz ULTFOCVFOFQRHP-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)ncn1 ZINC000423742308 1072572115 /nfs/dbraw/zinc/57/21/15/1072572115.db2.gz ULTFOCVFOFQRHP-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)ncn1 ZINC000423742310 1072571949 /nfs/dbraw/zinc/57/19/49/1072571949.db2.gz ULTFOCVFOFQRHP-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CCO2)n1 ZINC000423743710 1072572335 /nfs/dbraw/zinc/57/23/35/1072572335.db2.gz VSVQEWLLWNIKMZ-KCXAZCMYSA-N 1 0 378.477 -0.292 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CCO2)n1 ZINC000423743714 1072572445 /nfs/dbraw/zinc/57/24/45/1072572445.db2.gz VSVQEWLLWNIKMZ-RCBQFDQVSA-N 1 0 378.477 -0.292 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CCO2)n1 ZINC000423743716 1072572302 /nfs/dbraw/zinc/57/23/02/1072572302.db2.gz VSVQEWLLWNIKMZ-UHOFOFEASA-N 1 0 378.477 -0.292 20 0 GBADRO Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CCO2)n1 ZINC000423743718 1072572009 /nfs/dbraw/zinc/57/20/09/1072572009.db2.gz VSVQEWLLWNIKMZ-VBNZEHGJSA-N 1 0 378.477 -0.292 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)n1 ZINC000423745156 1072572454 /nfs/dbraw/zinc/57/24/54/1072572454.db2.gz XBGFQCYOWZIUJG-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)n1 ZINC000423745157 1072571992 /nfs/dbraw/zinc/57/19/92/1072571992.db2.gz XBGFQCYOWZIUJG-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)n1 ZINC000423745158 1072572054 /nfs/dbraw/zinc/57/20/54/1072572054.db2.gz XBGFQCYOWZIUJG-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)n1 ZINC000423745159 1072572277 /nfs/dbraw/zinc/57/22/77/1072572277.db2.gz XBGFQCYOWZIUJG-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423746448 1072572426 /nfs/dbraw/zinc/57/24/26/1072572426.db2.gz PJPMYFQMZHJKBB-INIZCTEOSA-N 1 0 379.505 -0.647 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423746449 1072572017 /nfs/dbraw/zinc/57/20/17/1072572017.db2.gz PJPMYFQMZHJKBB-MRXNPFEDSA-N 1 0 379.505 -0.647 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@@H]1C[NH3+] ZINC000423746489 1072572489 /nfs/dbraw/zinc/57/24/89/1072572489.db2.gz XVIMBVJQZRZZDH-DZGCQCFKSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@H]1C[NH3+] ZINC000423746490 1072572471 /nfs/dbraw/zinc/57/24/71/1072572471.db2.gz XVIMBVJQZRZZDH-HIFRSBDPSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@@H]1C[NH3+] ZINC000423746492 1072572313 /nfs/dbraw/zinc/57/23/13/1072572313.db2.gz XVIMBVJQZRZZDH-UKRRQHHQSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@H]1C[NH3+] ZINC000423746494 1072572376 /nfs/dbraw/zinc/57/23/76/1072572376.db2.gz XVIMBVJQZRZZDH-ZFWWWQNUSA-N 1 0 388.472 -0.585 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000423746528 1072572290 /nfs/dbraw/zinc/57/22/90/1072572290.db2.gz XYOKHDCRWONFKB-HIFRSBDPSA-N 1 0 381.454 -0.038 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000423749376 1072573376 /nfs/dbraw/zinc/57/33/76/1072573376.db2.gz SNZSDJXVROLTGQ-GOEBONIOSA-N 1 0 379.505 -0.602 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000423749379 1072572860 /nfs/dbraw/zinc/57/28/60/1072572860.db2.gz SNZSDJXVROLTGQ-HOCLYGCPSA-N 1 0 379.505 -0.602 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000423749382 1072573019 /nfs/dbraw/zinc/57/30/19/1072573019.db2.gz SNZSDJXVROLTGQ-ZBFHGGJFSA-N 1 0 379.505 -0.602 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000423750664 1072573221 /nfs/dbraw/zinc/57/32/21/1072573221.db2.gz VCRGJCAYOWSHHO-HNNXBMFYSA-N 1 0 388.534 -0.141 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000423750666 1072573540 /nfs/dbraw/zinc/57/35/40/1072573540.db2.gz VCRGJCAYOWSHHO-OAHLLOKOSA-N 1 0 388.534 -0.141 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423751241 1072572841 /nfs/dbraw/zinc/57/28/41/1072572841.db2.gz VSDXPUYUJUPSFX-HNNXBMFYSA-N 1 0 388.472 -0.570 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000423751242 1072573550 /nfs/dbraw/zinc/57/35/50/1072573550.db2.gz VSDXPUYUJUPSFX-OAHLLOKOSA-N 1 0 388.472 -0.570 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423751583 1072573241 /nfs/dbraw/zinc/57/32/41/1072573241.db2.gz VZNOTWVCMYAITQ-AWEZNQCLSA-N 1 0 399.469 -0.364 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423751586 1072572893 /nfs/dbraw/zinc/57/28/93/1072572893.db2.gz VZNOTWVCMYAITQ-CQSZACIVSA-N 1 0 399.469 -0.364 20 0 GBADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423751756 1072573180 /nfs/dbraw/zinc/57/31/80/1072573180.db2.gz WHKCUYJZVJMHEG-KRWDZBQOSA-N 1 0 393.532 -0.256 20 0 GBADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000423751758 1072573468 /nfs/dbraw/zinc/57/34/68/1072573468.db2.gz WHKCUYJZVJMHEG-QGZVFWFLSA-N 1 0 393.532 -0.256 20 0 GBADRO COC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]C1 ZINC000423767792 1072575260 /nfs/dbraw/zinc/57/52/60/1072575260.db2.gz CPRCWEBATGERKH-IBGZPJMESA-N 1 0 390.488 -0.412 20 0 GBADRO COC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]C1 ZINC000423767795 1072574900 /nfs/dbraw/zinc/57/49/00/1072574900.db2.gz CPRCWEBATGERKH-LJQANCHMSA-N 1 0 390.488 -0.412 20 0 GBADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H](C[NH3+])C1CC1 ZINC000423949688 1072577401 /nfs/dbraw/zinc/57/74/01/1072577401.db2.gz MXSDYBPTFWLBSO-DOMZBBRYSA-N 1 0 380.470 -0.117 20 0 GBADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H](C[NH3+])C1CC1 ZINC000423949694 1072577492 /nfs/dbraw/zinc/57/74/92/1072577492.db2.gz MXSDYBPTFWLBSO-IUODEOHRSA-N 1 0 380.470 -0.117 20 0 GBADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H](C[NH3+])C1CC1 ZINC000423949697 1072577443 /nfs/dbraw/zinc/57/74/43/1072577443.db2.gz MXSDYBPTFWLBSO-SWLSCSKDSA-N 1 0 380.470 -0.117 20 0 GBADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H](C[NH3+])C1CC1 ZINC000423949699 1072577777 /nfs/dbraw/zinc/57/77/77/1072577777.db2.gz MXSDYBPTFWLBSO-WFASDCNBSA-N 1 0 380.470 -0.117 20 0 GBADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000423961427 1072577502 /nfs/dbraw/zinc/57/75/02/1072577502.db2.gz TZGNSDWTKKXTQP-AWEZNQCLSA-N 1 0 382.486 -0.090 20 0 GBADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000423961432 1072577954 /nfs/dbraw/zinc/57/79/54/1072577954.db2.gz TZGNSDWTKKXTQP-CQSZACIVSA-N 1 0 382.486 -0.090 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000423964045 1072577572 /nfs/dbraw/zinc/57/75/72/1072577572.db2.gz WLGUMMKFTFRXEF-HNNXBMFYSA-N 1 0 382.486 -0.138 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000423964049 1072577786 /nfs/dbraw/zinc/57/77/86/1072577786.db2.gz WLGUMMKFTFRXEF-OAHLLOKOSA-N 1 0 382.486 -0.138 20 0 GBADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000423966004 1072577822 /nfs/dbraw/zinc/57/78/22/1072577822.db2.gz YWTJZOMOZVADBQ-AWEZNQCLSA-N 1 0 382.486 -0.090 20 0 GBADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000423966005 1072577858 /nfs/dbraw/zinc/57/78/58/1072577858.db2.gz YWTJZOMOZVADBQ-CQSZACIVSA-N 1 0 382.486 -0.090 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423974488 1072578587 /nfs/dbraw/zinc/57/85/87/1072578587.db2.gz NOIKXYOYBSTMKW-JKSUJKDBSA-N 1 0 396.513 -0.308 20 0 GBADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@]1(C)C[NH3+] ZINC000423980709 1072578828 /nfs/dbraw/zinc/57/88/28/1072578828.db2.gz FJVMPNVRRTZPGF-FZKQIMNGSA-N 1 0 394.497 -0.136 20 0 GBADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000423982723 1072578297 /nfs/dbraw/zinc/57/82/97/1072578297.db2.gz SACDTFVZMSURLQ-AWEZNQCLSA-N 1 0 384.440 -0.188 20 0 GBADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000423982725 1072578480 /nfs/dbraw/zinc/57/84/80/1072578480.db2.gz SACDTFVZMSURLQ-CQSZACIVSA-N 1 0 384.440 -0.188 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000423983537 1072579051 /nfs/dbraw/zinc/57/90/51/1072579051.db2.gz AEXFGXALKVBILZ-CYBMUJFWSA-N 1 0 385.442 -0.754 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000423983540 1072578511 /nfs/dbraw/zinc/57/85/11/1072578511.db2.gz AEXFGXALKVBILZ-ZDUSSCGKSA-N 1 0 385.442 -0.754 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000423983545 1072578972 /nfs/dbraw/zinc/57/89/72/1072578972.db2.gz AFVXIOKUAPXLAD-LLVKDONJSA-N 1 0 397.375 -0.032 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000423983548 1072578261 /nfs/dbraw/zinc/57/82/61/1072578261.db2.gz AFVXIOKUAPXLAD-NSHDSACASA-N 1 0 397.375 -0.032 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423986293 1072579019 /nfs/dbraw/zinc/57/90/19/1072579019.db2.gz FWLUFXUAHSMLMH-CHWSQXEVSA-N 1 0 399.469 -0.381 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423986295 1072579097 /nfs/dbraw/zinc/57/90/97/1072579097.db2.gz FWLUFXUAHSMLMH-OLZOCXBDSA-N 1 0 399.469 -0.381 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423986297 1072578435 /nfs/dbraw/zinc/57/84/35/1072578435.db2.gz FWLUFXUAHSMLMH-QWHCGFSZSA-N 1 0 399.469 -0.381 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423986299 1072578682 /nfs/dbraw/zinc/57/86/82/1072578682.db2.gz FWLUFXUAHSMLMH-STQMWFEESA-N 1 0 399.469 -0.381 20 0 GBADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@H]1C[NH2+]CCO1 ZINC000423986708 1072579574 /nfs/dbraw/zinc/57/95/74/1072579574.db2.gz GLRHLDNQQCZZMU-CYBMUJFWSA-N 1 0 399.469 -0.379 20 0 GBADRO O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@@H]1C[NH2+]CCO1 ZINC000423986710 1072579822 /nfs/dbraw/zinc/57/98/22/1072579822.db2.gz GLRHLDNQQCZZMU-ZDUSSCGKSA-N 1 0 399.469 -0.379 20 0 GBADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000423990358 1072579616 /nfs/dbraw/zinc/57/96/16/1072579616.db2.gz ZEUNFOMMGBXPHQ-AWEZNQCLSA-N 1 0 384.440 -0.188 20 0 GBADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000423990359 1072579676 /nfs/dbraw/zinc/57/96/76/1072579676.db2.gz ZEUNFOMMGBXPHQ-CQSZACIVSA-N 1 0 384.440 -0.188 20 0 GBADRO COC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[NH2+]C1 ZINC000423991923 530356595 /nfs/dbraw/zinc/35/65/95/530356595.db2.gz JKDMXHXGGQPVFT-HNNXBMFYSA-N 1 0 377.413 -0.015 20 0 GBADRO COC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[NH2+]C1 ZINC000423991924 530356958 /nfs/dbraw/zinc/35/69/58/530356958.db2.gz JKDMXHXGGQPVFT-OAHLLOKOSA-N 1 0 377.413 -0.015 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000423996338 1072578611 /nfs/dbraw/zinc/57/86/11/1072578611.db2.gz WNTCQGZKTJPNAX-CYBMUJFWSA-N 1 0 386.474 -0.013 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000423996339 1072578852 /nfs/dbraw/zinc/57/88/52/1072578852.db2.gz WNTCQGZKTJPNAX-ZDUSSCGKSA-N 1 0 386.474 -0.013 20 0 GBADRO C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C[NH3+] ZINC000424002010 1072579917 /nfs/dbraw/zinc/57/99/17/1072579917.db2.gz COKINBKEKYAJPX-DZGCQCFKSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C[NH3+] ZINC000424002013 1072579862 /nfs/dbraw/zinc/57/98/62/1072579862.db2.gz COKINBKEKYAJPX-HIFRSBDPSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C[NH3+] ZINC000424002016 1072579851 /nfs/dbraw/zinc/57/98/51/1072579851.db2.gz COKINBKEKYAJPX-UKRRQHHQSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C[NH3+] ZINC000424002018 1072579784 /nfs/dbraw/zinc/57/97/84/1072579784.db2.gz COKINBKEKYAJPX-ZFWWWQNUSA-N 1 0 394.497 -0.136 20 0 GBADRO CN(CC[NH3+])C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424002201 1072579664 /nfs/dbraw/zinc/57/96/64/1072579664.db2.gz IKKDHJLLAURNJD-UHFFFAOYSA-N 1 0 382.486 -0.283 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424006345 1072579690 /nfs/dbraw/zinc/57/96/90/1072579690.db2.gz UKUYIBFWBAVLHH-INIZCTEOSA-N 1 0 396.513 -0.006 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424006362 1072579905 /nfs/dbraw/zinc/57/99/05/1072579905.db2.gz UKUYIBFWBAVLHH-MRXNPFEDSA-N 1 0 396.513 -0.006 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000424009625 530356970 /nfs/dbraw/zinc/35/69/70/530356970.db2.gz ZPXNVVRQFNQNAU-JTQLQIEISA-N 1 0 381.813 -0.236 20 0 GBADRO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C[NH3+] ZINC000424017384 1072580498 /nfs/dbraw/zinc/58/04/98/1072580498.db2.gz OXHSHJMCYVJOIX-DZGCQCFKSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C[NH3+] ZINC000424017386 1072580589 /nfs/dbraw/zinc/58/05/89/1072580589.db2.gz OXHSHJMCYVJOIX-HIFRSBDPSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C[NH3+] ZINC000424017387 1072580705 /nfs/dbraw/zinc/58/07/05/1072580705.db2.gz OXHSHJMCYVJOIX-UKRRQHHQSA-N 1 0 394.497 -0.136 20 0 GBADRO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C[NH3+] ZINC000424017388 1072580276 /nfs/dbraw/zinc/58/02/76/1072580276.db2.gz OXHSHJMCYVJOIX-ZFWWWQNUSA-N 1 0 394.497 -0.136 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000424024225 1072581244 /nfs/dbraw/zinc/58/12/44/1072581244.db2.gz QYWIMLHCAAIRNX-AWEZNQCLSA-N 1 0 399.469 -0.282 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000424024227 1072581230 /nfs/dbraw/zinc/58/12/30/1072581230.db2.gz QYWIMLHCAAIRNX-CQSZACIVSA-N 1 0 399.469 -0.282 20 0 GBADRO C[C@@H]1C[C@H](C)N(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000424052278 1072581540 /nfs/dbraw/zinc/58/15/40/1072581540.db2.gz MGWWBPULVCQALR-AGIUHOORSA-N 1 0 376.461 -0.344 20 0 GBADRO C[C@@H]1C[C@H](C)N(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000424052279 1072581172 /nfs/dbraw/zinc/58/11/72/1072581172.db2.gz MGWWBPULVCQALR-FRRDWIJNSA-N 1 0 376.461 -0.344 20 0 GBADRO C[C@@H]1C[C@@H](C)N(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000424052280 1072581251 /nfs/dbraw/zinc/58/12/51/1072581251.db2.gz MGWWBPULVCQALR-JHJVBQTASA-N 1 0 376.461 -0.344 20 0 GBADRO C[C@@H]1C[C@@H](C)N(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000424052481 1072581425 /nfs/dbraw/zinc/58/14/25/1072581425.db2.gz MGWWBPULVCQALR-UPJWGTAASA-N 1 0 376.461 -0.344 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424064993 1072583414 /nfs/dbraw/zinc/58/34/14/1072583414.db2.gz PDIJGEYJHBCJRA-CYBMUJFWSA-N 1 0 377.449 -0.988 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424064995 1072583585 /nfs/dbraw/zinc/58/35/85/1072583585.db2.gz PDIJGEYJHBCJRA-ZDUSSCGKSA-N 1 0 377.449 -0.988 20 0 GBADRO Cn1c2ncn(CCC(=O)N3C[C@H]([NH3+])Cc4ccccc43)c2c(=O)n(C)c1=O ZINC000424073303 1072583346 /nfs/dbraw/zinc/58/33/46/1072583346.db2.gz HNMCLWNDIAQQTQ-CYBMUJFWSA-N 1 0 382.424 -0.260 20 0 GBADRO Cn1c2ncn(CCC(=O)N3C[C@@H]([NH3+])Cc4ccccc43)c2c(=O)n(C)c1=O ZINC000424073304 1072583525 /nfs/dbraw/zinc/58/35/25/1072583525.db2.gz HNMCLWNDIAQQTQ-ZDUSSCGKSA-N 1 0 382.424 -0.260 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424076449 1072583546 /nfs/dbraw/zinc/58/35/46/1072583546.db2.gz LWAZMTQEGGQCAN-CYBMUJFWSA-N 1 0 378.458 -0.178 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424076450 1072583185 /nfs/dbraw/zinc/58/31/85/1072583185.db2.gz LWAZMTQEGGQCAN-ZDUSSCGKSA-N 1 0 378.458 -0.178 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424080418 1072584299 /nfs/dbraw/zinc/58/42/99/1072584299.db2.gz TWNSRIKKSKWGGF-AWEZNQCLSA-N 1 0 382.486 -0.263 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424080420 1072584040 /nfs/dbraw/zinc/58/40/40/1072584040.db2.gz TWNSRIKKSKWGGF-CQSZACIVSA-N 1 0 382.486 -0.263 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424080818 530356863 /nfs/dbraw/zinc/35/68/63/530356863.db2.gz WDKIVOJSIYWCTD-IHRRRGAJSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424081044 530357022 /nfs/dbraw/zinc/35/70/22/530357022.db2.gz WDKIVOJSIYWCTD-MCIONIFRSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424081045 530356790 /nfs/dbraw/zinc/35/67/90/530356790.db2.gz WDKIVOJSIYWCTD-MJBXVCDLSA-N 1 0 376.523 -0.348 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424081046 530356812 /nfs/dbraw/zinc/35/68/12/530356812.db2.gz WDKIVOJSIYWCTD-RDBSUJKOSA-N 1 0 376.523 -0.348 20 0 GBADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000424136444 1072584941 /nfs/dbraw/zinc/58/49/41/1072584941.db2.gz KKZNHNPNOIQRLV-NWDGAFQWSA-N 1 0 380.426 -0.802 20 0 GBADRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424169090 1072586245 /nfs/dbraw/zinc/58/62/45/1072586245.db2.gz JETUKUFMAUJKSU-OLZOCXBDSA-N 1 0 380.449 -0.364 20 0 GBADRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424169093 1072586200 /nfs/dbraw/zinc/58/62/00/1072586200.db2.gz JETUKUFMAUJKSU-STQMWFEESA-N 1 0 380.449 -0.364 20 0 GBADRO COC(=O)CN(CCN1CCOCC1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424169745 1072586037 /nfs/dbraw/zinc/58/60/37/1072586037.db2.gz HICWSAVGAYXURN-AWEZNQCLSA-N 1 0 380.449 -0.850 20 0 GBADRO COC(=O)CN(CCN1CCOCC1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424169751 1072586218 /nfs/dbraw/zinc/58/62/18/1072586218.db2.gz HICWSAVGAYXURN-CQSZACIVSA-N 1 0 380.449 -0.850 20 0 GBADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000424172365 1072586339 /nfs/dbraw/zinc/58/63/39/1072586339.db2.gz MAASSDQTIAKDOA-KBPBESRZSA-N 1 0 382.490 -0.157 20 0 GBADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000424172367 1072586160 /nfs/dbraw/zinc/58/61/60/1072586160.db2.gz MAASSDQTIAKDOA-KGLIPLIRSA-N 1 0 382.490 -0.157 20 0 GBADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000424172369 1072585848 /nfs/dbraw/zinc/58/58/48/1072585848.db2.gz MAASSDQTIAKDOA-UONOGXRCSA-N 1 0 382.490 -0.157 20 0 GBADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000424172371 1072586240 /nfs/dbraw/zinc/58/62/40/1072586240.db2.gz MAASSDQTIAKDOA-ZIAGYGMSSA-N 1 0 382.490 -0.157 20 0 GBADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424195965 1072586127 /nfs/dbraw/zinc/58/61/27/1072586127.db2.gz UJXHKSLRMPYEEH-NEPJUHHUSA-N 1 0 385.442 -0.137 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)CC[NH2+]CC2 ZINC000424220613 1072586737 /nfs/dbraw/zinc/58/67/37/1072586737.db2.gz AMRHHNCNCSEYJX-LLVKDONJSA-N 1 0 383.474 -0.618 20 0 GBADRO C[C@H]1CC2(CN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)CC[NH2+]CC2 ZINC000424220614 1072587288 /nfs/dbraw/zinc/58/72/88/1072587288.db2.gz AMRHHNCNCSEYJX-NSHDSACASA-N 1 0 383.474 -0.618 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1C ZINC000424221181 1072586812 /nfs/dbraw/zinc/58/68/12/1072586812.db2.gz BGKAJEVSEPZBOK-UONOGXRCSA-N 1 0 395.489 -0.916 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4n3)C[C@H]2[NH3+])cn1 ZINC000424222287 1072587070 /nfs/dbraw/zinc/58/70/70/1072587070.db2.gz DXSOSUZAWKNMRI-NWDGAFQWSA-N 1 0 398.427 0.069 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)CNC(=O)c3cnc4ccccc4c3O)C[C@H]2[NH3+])cn1 ZINC000424225793 1072587201 /nfs/dbraw/zinc/58/72/01/1072587201.db2.gz NMQXOPWYXBYLHA-JKSUJKDBSA-N 1 0 394.435 -0.055 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229962 1072586982 /nfs/dbraw/zinc/58/69/82/1072586982.db2.gz DRLDJQNDWGOLBQ-DDTOSNHZSA-N 1 0 396.473 -0.355 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229967 1072587246 /nfs/dbraw/zinc/58/72/46/1072587246.db2.gz DRLDJQNDWGOLBQ-LEWSCRJBSA-N 1 0 396.473 -0.355 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424232293 1072586610 /nfs/dbraw/zinc/58/66/10/1072586610.db2.gz HHZOHWUQYJJVOT-AWEZNQCLSA-N 1 0 388.534 -0.189 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424232294 1072586961 /nfs/dbraw/zinc/58/69/61/1072586961.db2.gz HHZOHWUQYJJVOT-CQSZACIVSA-N 1 0 388.534 -0.189 20 0 GBADRO Cn1cc([C@@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]2[NH3+])cn1 ZINC000424284229 1072588022 /nfs/dbraw/zinc/58/80/22/1072588022.db2.gz BZNHGLYABFQFFP-DZGCQCFKSA-N 1 0 385.407 -0.100 20 0 GBADRO CCCn1c(N)c(C(=O)CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(=O)[nH]c1=O ZINC000424287067 1072588059 /nfs/dbraw/zinc/58/80/59/1072588059.db2.gz GZQFOCNCVHDGFX-NWDGAFQWSA-N 1 0 375.433 -0.716 20 0 GBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424290625 1072588054 /nfs/dbraw/zinc/58/80/54/1072588054.db2.gz NBKIIPQIFFCGSZ-KNXALSJPSA-N 1 0 392.485 -0.179 20 0 GBADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424290627 1072587780 /nfs/dbraw/zinc/58/77/80/1072587780.db2.gz NBKIIPQIFFCGSZ-XFBWCDHKSA-N 1 0 392.485 -0.179 20 0 GBADRO Cc1ccc(NC(=O)CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000424291449 1072587714 /nfs/dbraw/zinc/58/77/14/1072587714.db2.gz LYZKNEFMBIOVOL-LSDHHAIUSA-N 1 0 392.485 -0.259 20 0 GBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424295129 1072588155 /nfs/dbraw/zinc/58/81/55/1072588155.db2.gz PTDRYFNGNFOFNS-UONOGXRCSA-N 1 0 375.433 -0.305 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424297756 1072587932 /nfs/dbraw/zinc/58/79/32/1072587932.db2.gz RNIZAGVKTWQSBI-KNXALSJPSA-N 1 0 392.485 -0.179 20 0 GBADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424297759 1072587625 /nfs/dbraw/zinc/58/76/25/1072587625.db2.gz RNIZAGVKTWQSBI-XFBWCDHKSA-N 1 0 392.485 -0.179 20 0 GBADRO COC(=O)CC1CC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000424298617 530359905 /nfs/dbraw/zinc/35/99/05/530359905.db2.gz IYFUFQVJPYNLKT-UHFFFAOYSA-N 1 0 375.491 -0.041 20 0 GBADRO CCCCN(C(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000424301631 1072587649 /nfs/dbraw/zinc/58/76/49/1072587649.db2.gz XWRUMKUWXWLOSV-IXDOHACOSA-N 1 0 397.545 -0.038 20 0 GBADRO CCCCN(C(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000424301635 1072588073 /nfs/dbraw/zinc/58/80/73/1072588073.db2.gz XWRUMKUWXWLOSV-YESZJQIVSA-N 1 0 397.545 -0.038 20 0 GBADRO Cn1cc([C@@H]2CN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]2[NH3+])cn1 ZINC000424302264 1072588141 /nfs/dbraw/zinc/58/81/41/1072588141.db2.gz ZBUKJASZCHDAPH-JKSUJKDBSA-N 1 0 386.456 -0.276 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424338655 1072589496 /nfs/dbraw/zinc/58/94/96/1072589496.db2.gz UTIACOGSDBOVOO-HUUCEWRRSA-N 1 0 399.517 -0.016 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1C(N)=O ZINC000424383226 1072591199 /nfs/dbraw/zinc/59/11/99/1072591199.db2.gz AVJSWXQWYOWFOC-UONOGXRCSA-N 1 0 379.442 -0.357 20 0 GBADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)C[C@H]2[NH3+])cn1 ZINC000424383873 1072591921 /nfs/dbraw/zinc/59/19/21/1072591921.db2.gz BOSCRBPLXJTFPX-LSDHHAIUSA-N 1 0 388.457 -0.274 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424386720 1072591947 /nfs/dbraw/zinc/59/19/47/1072591947.db2.gz FEKIGFNPLKKHGJ-LSDHHAIUSA-N 1 0 399.498 -0.556 20 0 GBADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@H]2[NH3+])cn1 ZINC000424390675 1072591880 /nfs/dbraw/zinc/59/18/80/1072591880.db2.gz KOROGJVRPIPLLQ-QWHCGFSZSA-N 1 0 377.426 -0.020 20 0 GBADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)C[C@H]2[NH3+])cn1 ZINC000424395746 1072590887 /nfs/dbraw/zinc/59/08/87/1072590887.db2.gz WCSLHPFIZXRINC-QWHCGFSZSA-N 1 0 390.425 -0.110 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)C[C@H]2[NH3+])cn1 ZINC000424412866 1072593599 /nfs/dbraw/zinc/59/35/99/1072593599.db2.gz DTROPKCQVULEHQ-UONOGXRCSA-N 1 0 398.427 -0.676 20 0 GBADRO CNS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)nc1 ZINC000424414507 1072593538 /nfs/dbraw/zinc/59/35/38/1072593538.db2.gz HGBIEWBQQKBRHZ-QWHCGFSZSA-N 1 0 379.446 -0.318 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000424422234 1072592493 /nfs/dbraw/zinc/59/24/93/1072592493.db2.gz DONIDGHQKMGLFI-UHFFFAOYSA-N 1 0 387.444 -0.052 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000424435383 1072594844 /nfs/dbraw/zinc/59/48/44/1072594844.db2.gz GIHRLEFCLKMZMX-UHFFFAOYSA-N 1 0 387.440 -0.658 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 ZINC000424436430 1072595353 /nfs/dbraw/zinc/59/53/53/1072595353.db2.gz HFMHHOWCUQISML-UHFFFAOYSA-N 1 0 389.456 -0.412 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000424442473 1072593994 /nfs/dbraw/zinc/59/39/94/1072593994.db2.gz AHRNPOVSRWUPGR-UHFFFAOYSA-N 1 0 384.440 -0.165 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)C[C@H]2[NH3+])cn1 ZINC000424444703 1072594006 /nfs/dbraw/zinc/59/40/06/1072594006.db2.gz DEWUYOBQNZSZLG-WDEREUQCSA-N 1 0 377.474 0.461 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]2[NH3+])cn1 ZINC000424444792 1072594110 /nfs/dbraw/zinc/59/41/10/1072594110.db2.gz DPUVZWFBCYGQSI-GXTWGEPZSA-N 1 0 399.390 -0.573 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)C[C@H]2[NH3+])cn1 ZINC000424444827 1072593899 /nfs/dbraw/zinc/59/38/99/1072593899.db2.gz DUCHVBFAVDOSPT-UONOGXRCSA-N 1 0 380.412 -0.107 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424445440 1072594242 /nfs/dbraw/zinc/59/42/42/1072594242.db2.gz FNWQATBKPQRLAI-UHFFFAOYSA-N 1 0 391.472 -0.701 20 0 GBADRO COCCOc1ncccc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424445630 1072594299 /nfs/dbraw/zinc/59/42/99/1072594299.db2.gz GEFNHYAEGIJCJO-UONOGXRCSA-N 1 0 388.428 -0.268 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C[C@H]2[NH3+])cn1 ZINC000424446047 1072593942 /nfs/dbraw/zinc/59/39/42/1072593942.db2.gz GYJAGNGGUFMCEZ-JKSUJKDBSA-N 1 0 380.412 -0.107 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)C[C@H]2[NH3+])cn1 ZINC000424446231 1072594367 /nfs/dbraw/zinc/59/43/67/1072594367.db2.gz HVNMWPQCLFOPNK-JKSUJKDBSA-N 1 0 379.424 0.498 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)C[C@H]2[NH3+])cn1 ZINC000424446587 1072594327 /nfs/dbraw/zinc/59/43/27/1072594327.db2.gz JCSJQSAIJKKZPZ-UONOGXRCSA-N 1 0 397.439 -0.498 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-n4ccnn4)c3)C[C@H]2[NH3+])cn1 ZINC000424446842 1072594128 /nfs/dbraw/zinc/59/41/28/1072594128.db2.gz JUCWIGQJLQSRCM-JKSUJKDBSA-N 1 0 380.412 -0.107 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000424447552 1072594255 /nfs/dbraw/zinc/59/42/55/1072594255.db2.gz VPTFBCLDJREZCD-UHFFFAOYSA-N 1 0 389.456 -0.011 20 0 GBADRO COCCOc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1 ZINC000424448945 1072594018 /nfs/dbraw/zinc/59/40/18/1072594018.db2.gz QJTFUVBCEHCHGR-LSDHHAIUSA-N 1 0 388.428 -0.268 20 0 GBADRO CCOC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1C ZINC000424449742 1072594048 /nfs/dbraw/zinc/59/40/48/1072594048.db2.gz UFTBWZZQZMDLJN-UONOGXRCSA-N 1 0 388.428 -0.173 20 0 GBADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424450157 1072595330 /nfs/dbraw/zinc/59/53/30/1072595330.db2.gz VZJUJDFEDSFOPJ-LSDHHAIUSA-N 1 0 384.440 -0.020 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424450365 1072594230 /nfs/dbraw/zinc/59/42/30/1072594230.db2.gz WVVXONMFHLTNLR-NWDGAFQWSA-N 1 0 388.432 -0.824 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCN3CCN(c4ncccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000424450976 1072596726 /nfs/dbraw/zinc/59/67/26/1072596726.db2.gz CFOWQMBYDPCDMO-DLBZAZTESA-N 1 0 399.503 -0.532 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)C[C@H]2[NH3+])cn1 ZINC000424451078 1072596328 /nfs/dbraw/zinc/59/63/28/1072596328.db2.gz ZWAKHARFYMMXJJ-LSDHHAIUSA-N 1 0 396.407 -0.462 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000424451626 1072596201 /nfs/dbraw/zinc/59/62/01/1072596201.db2.gz BWIGANWZLFGPBO-UHFFFAOYSA-N 1 0 397.501 -0.267 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCNS(=O)(=O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424454067 1072594954 /nfs/dbraw/zinc/59/49/54/1072594954.db2.gz NLJOXZIHHXPNNX-JKSUJKDBSA-N 1 0 392.485 -0.165 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424455564 1072594700 /nfs/dbraw/zinc/59/47/00/1072594700.db2.gz NRSPGSNOKOQZBB-AWEZNQCLSA-N 1 0 375.429 -0.755 20 0 GBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424455565 1072594794 /nfs/dbraw/zinc/59/47/94/1072594794.db2.gz NRSPGSNOKOQZBB-CQSZACIVSA-N 1 0 375.429 -0.755 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424455737 1072595105 /nfs/dbraw/zinc/59/51/05/1072595105.db2.gz TYORXGGESYVQHI-JKSUJKDBSA-N 1 0 392.485 -0.036 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1=O ZINC000424456595 1072595347 /nfs/dbraw/zinc/59/53/47/1072595347.db2.gz PTJWXMQMHDFZSE-AWEZNQCLSA-N 1 0 376.413 -0.328 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1=O ZINC000424456598 1072595025 /nfs/dbraw/zinc/59/50/25/1072595025.db2.gz PTJWXMQMHDFZSE-CQSZACIVSA-N 1 0 376.413 -0.328 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C[C@H]2[NH3+])cn1 ZINC000424456928 1072594822 /nfs/dbraw/zinc/59/48/22/1072594822.db2.gz YFQIVXNOTRSCLV-LSDHHAIUSA-N 1 0 388.476 -0.359 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424456996 1072594765 /nfs/dbraw/zinc/59/47/65/1072594765.db2.gz QKKWOWIMOAXFBD-UHFFFAOYSA-N 1 0 389.456 -0.411 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@H]2[NH3+])cn1 ZINC000424460365 1072595263 /nfs/dbraw/zinc/59/52/63/1072595263.db2.gz JNONPNHGFVQVOS-LSDHHAIUSA-N 1 0 384.506 -0.424 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424461203 1072594716 /nfs/dbraw/zinc/59/47/16/1072594716.db2.gz COJLKRBNAVZGQI-NEPJUHHUSA-N 1 0 378.429 -0.035 20 0 GBADRO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424461204 1072595339 /nfs/dbraw/zinc/59/53/39/1072595339.db2.gz COJLKRBNAVZGQI-NWDGAFQWSA-N 1 0 378.429 -0.035 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424461205 1072594815 /nfs/dbraw/zinc/59/48/15/1072594815.db2.gz COJLKRBNAVZGQI-RYUDHWBXSA-N 1 0 378.429 -0.035 20 0 GBADRO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424461206 1072595065 /nfs/dbraw/zinc/59/50/65/1072595065.db2.gz COJLKRBNAVZGQI-VXGBXAGGSA-N 1 0 378.429 -0.035 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1=O ZINC000424462034 1072594852 /nfs/dbraw/zinc/59/48/52/1072594852.db2.gz MAZXGISLCJELRN-BFHYXJOUSA-N 1 0 378.433 -0.980 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1=O ZINC000424462035 1072595191 /nfs/dbraw/zinc/59/51/91/1072595191.db2.gz MAZXGISLCJELRN-MJBXVCDLSA-N 1 0 378.433 -0.980 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C[C@H]2[NH3+])cn1 ZINC000424464690 1072595847 /nfs/dbraw/zinc/59/58/47/1072595847.db2.gz QGWJUXZGAHAKTG-UONOGXRCSA-N 1 0 389.460 -0.279 20 0 GBADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000424466690 1072595902 /nfs/dbraw/zinc/59/59/02/1072595902.db2.gz LSZKNXVWCSNGCX-CQSZACIVSA-N 1 0 397.501 -0.221 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccs3)C[C@H]2[NH3+])cn1 ZINC000424466881 1072595773 /nfs/dbraw/zinc/59/57/73/1072595773.db2.gz VBGDBVUHNFTZEK-QWHCGFSZSA-N 1 0 398.514 -0.104 20 0 GBADRO COCCN1C(=O)C[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1cnn(C)c1C ZINC000424472573 1072595761 /nfs/dbraw/zinc/59/57/61/1072595761.db2.gz VHDOWXDQQYJJGF-DNBIXMRYSA-N 1 0 390.488 -0.218 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)C[C@H]2[NH3+])cn1 ZINC000424480016 1072596561 /nfs/dbraw/zinc/59/65/61/1072596561.db2.gz PSKSLRJLCDHOSI-BEAPCOKYSA-N 1 0 384.506 -0.426 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C[C@H]2[NH3+])cn1 ZINC000424480366 1072596507 /nfs/dbraw/zinc/59/65/07/1072596507.db2.gz PSKSLRJLCDHOSI-FAAHXZRKSA-N 1 0 384.506 -0.426 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C[C@H]2[NH3+])cn1 ZINC000424480372 1072596366 /nfs/dbraw/zinc/59/63/66/1072596366.db2.gz PSKSLRJLCDHOSI-MHEUCROKSA-N 1 0 384.506 -0.426 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C[C@H]2[NH3+])cn1 ZINC000424480377 1072595874 /nfs/dbraw/zinc/59/58/74/1072595874.db2.gz PSKSLRJLCDHOSI-SPWCGHHHSA-N 1 0 384.506 -0.426 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424484543 1072596534 /nfs/dbraw/zinc/59/65/34/1072596534.db2.gz AICZYJRCSZWBLT-DLBZAZTESA-N 1 0 398.467 -0.472 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424486963 1072597294 /nfs/dbraw/zinc/59/72/94/1072597294.db2.gz AJUXUIRWKDPNNS-DLBZAZTESA-N 1 0 399.451 -0.181 20 0 GBADRO Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490881 1072597900 /nfs/dbraw/zinc/59/79/00/1072597900.db2.gz AWXJENVMVGXQCZ-DLBZAZTESA-N 1 0 397.483 -0.275 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490985 1072598912 /nfs/dbraw/zinc/59/89/12/1072598912.db2.gz BJPXSBVAJUKPNY-JKSUJKDBSA-N 1 0 392.504 -0.758 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC(=O)N(Cc4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424491086 1072598563 /nfs/dbraw/zinc/59/85/63/1072598563.db2.gz BVKVAJIXSFNARM-DLBZAZTESA-N 1 0 396.451 -0.498 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000424491329 1072599031 /nfs/dbraw/zinc/59/90/31/1072599031.db2.gz DBKGXXBVQGDPLY-SJORKVTESA-N 1 0 396.532 -0.090 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000424491334 1072598854 /nfs/dbraw/zinc/59/88/54/1072598854.db2.gz DCJWJQZKFSTYOH-INIZCTEOSA-N 1 0 381.521 -0.938 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000424491335 1072598930 /nfs/dbraw/zinc/59/89/30/1072598930.db2.gz DCJWJQZKFSTYOH-MRXNPFEDSA-N 1 0 381.521 -0.938 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491338 1072598681 /nfs/dbraw/zinc/59/86/81/1072598681.db2.gz DDACEZCACUPKNT-RRFJBIMHSA-N 1 0 376.461 -0.858 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491339 1072598950 /nfs/dbraw/zinc/59/89/50/1072598950.db2.gz DDACEZCACUPKNT-ZNMIVQPWSA-N 1 0 376.461 -0.858 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424491478 1072598657 /nfs/dbraw/zinc/59/86/57/1072598657.db2.gz DMFLBENBQIDYRG-IXDOHACOSA-N 1 0 391.472 -0.673 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424491479 1072598554 /nfs/dbraw/zinc/59/85/54/1072598554.db2.gz DMFLBENBQIDYRG-YESZJQIVSA-N 1 0 391.472 -0.673 20 0 GBADRO CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491515 1072598694 /nfs/dbraw/zinc/59/86/94/1072598694.db2.gz DRWCUARNCGKYIA-FGTMMUONSA-N 1 0 385.468 -0.265 20 0 GBADRO CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424491516 1072598873 /nfs/dbraw/zinc/59/88/73/1072598873.db2.gz DRWCUARNCGKYIA-OKZBNKHCSA-N 1 0 385.468 -0.265 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424491642 1072598727 /nfs/dbraw/zinc/59/87/27/1072598727.db2.gz FBKWZRWTGXVGDZ-BRWVUGGUSA-N 1 0 397.516 -0.151 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424491643 1072598890 /nfs/dbraw/zinc/59/88/90/1072598890.db2.gz FBKWZRWTGXVGDZ-GVDBMIGSSA-N 1 0 397.516 -0.151 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424491645 1072598583 /nfs/dbraw/zinc/59/85/83/1072598583.db2.gz FBKWZRWTGXVGDZ-IXDOHACOSA-N 1 0 397.516 -0.151 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424491647 1072599047 /nfs/dbraw/zinc/59/90/47/1072599047.db2.gz FBKWZRWTGXVGDZ-YESZJQIVSA-N 1 0 397.516 -0.151 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCCN(CC(F)F)CC3)C[C@H]2[NH3+])cn1 ZINC000424492034 1072599006 /nfs/dbraw/zinc/59/90/06/1072599006.db2.gz GUUGASZLTXPIOF-UONOGXRCSA-N 1 0 384.431 -0.527 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](Cn3cncn3)C1)CC[NH2+]CC2 ZINC000424492286 1072598989 /nfs/dbraw/zinc/59/89/89/1072598989.db2.gz HKTZOHMEPIXARE-CABCVRRESA-N 1 0 376.461 -0.504 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](Cn3cncn3)C1)CC[NH2+]CC2 ZINC000424492287 1072598659 /nfs/dbraw/zinc/59/86/59/1072598659.db2.gz HKTZOHMEPIXARE-GJZGRUSLSA-N 1 0 376.461 -0.504 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](Cn3cncn3)C1)CC[NH2+]CC2 ZINC000424492288 1072598846 /nfs/dbraw/zinc/59/88/46/1072598846.db2.gz HKTZOHMEPIXARE-HUUCEWRRSA-N 1 0 376.461 -0.504 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](Cn3cncn3)C1)CC[NH2+]CC2 ZINC000424492289 1072598616 /nfs/dbraw/zinc/59/86/16/1072598616.db2.gz HKTZOHMEPIXARE-LSDHHAIUSA-N 1 0 376.461 -0.504 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)C[C@H]2[NH3+])cn1 ZINC000424492896 1072598997 /nfs/dbraw/zinc/59/89/97/1072598997.db2.gz JGIOBBBDEBOLLF-QLFBSQMISA-N 1 0 391.863 -0.003 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)C[C@H]2[NH3+])cn1 ZINC000424492899 1072598713 /nfs/dbraw/zinc/59/87/13/1072598713.db2.gz JGIOBBBDEBOLLF-SOUVJXGZSA-N 1 0 391.863 -0.003 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424493278 1072598704 /nfs/dbraw/zinc/59/87/04/1072598704.db2.gz KFCQJYMFYIJKOQ-CABCVRRESA-N 1 0 391.476 -0.712 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424493279 1072598609 /nfs/dbraw/zinc/59/86/09/1072598609.db2.gz KFCQJYMFYIJKOQ-GJZGRUSLSA-N 1 0 391.476 -0.712 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424493280 1072599800 /nfs/dbraw/zinc/59/98/00/1072599800.db2.gz KFCQJYMFYIJKOQ-HUUCEWRRSA-N 1 0 391.476 -0.712 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424493281 1072599878 /nfs/dbraw/zinc/59/98/78/1072599878.db2.gz KFCQJYMFYIJKOQ-LSDHHAIUSA-N 1 0 391.476 -0.712 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@](CO)(c4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424493374 1072598882 /nfs/dbraw/zinc/59/88/82/1072598882.db2.gz KQEQDHUGGCGMOH-UEXGIBASSA-N 1 0 397.479 -0.164 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@](CO)(c4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424493376 1072598796 /nfs/dbraw/zinc/59/87/96/1072598796.db2.gz KQEQDHUGGCGMOH-WAOWUJCRSA-N 1 0 397.479 -0.164 20 0 GBADRO COCCN(Cc1cncs1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424493858 1072598754 /nfs/dbraw/zinc/59/87/54/1072598754.db2.gz LNNNARMIYILCCK-LSDHHAIUSA-N 1 0 392.485 -0.195 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(Cc4cccnc4)CC3)C[C@H]2[NH3+])cn1 ZINC000424493947 1072598598 /nfs/dbraw/zinc/59/85/98/1072598598.db2.gz LVYFHXNPDDMEFN-ZWKOTPCHSA-N 1 0 397.483 -0.587 20 0 GBADRO COC(=O)[C@H]1CSCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424493991 1072599833 /nfs/dbraw/zinc/59/98/33/1072599833.db2.gz MCPNEPUDFVTVAD-HZSPNIEDSA-N 1 0 395.485 -0.962 20 0 GBADRO COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424493992 1072599671 /nfs/dbraw/zinc/59/96/71/1072599671.db2.gz MCPNEPUDFVTVAD-MELADBBJSA-N 1 0 395.485 -0.962 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000424494553 1072599784 /nfs/dbraw/zinc/59/97/84/1072599784.db2.gz NSKXFQZYWKXDLF-LLLHUVSDSA-N 1 0 385.472 -0.021 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000424494556 1072599766 /nfs/dbraw/zinc/59/97/66/1072599766.db2.gz NSKXFQZYWKXDLF-QMCVQRASSA-N 1 0 385.472 -0.021 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000424494557 1072599814 /nfs/dbraw/zinc/59/98/14/1072599814.db2.gz NSKXFQZYWKXDLF-XBVQOTNRSA-N 1 0 385.472 -0.021 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000424494559 1072599575 /nfs/dbraw/zinc/59/95/75/1072599575.db2.gz NSKXFQZYWKXDLF-XLNGHYISSA-N 1 0 385.472 -0.021 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000424494921 1072599685 /nfs/dbraw/zinc/59/96/85/1072599685.db2.gz ORKMCIRKZCWNSG-INIZCTEOSA-N 1 0 381.521 -0.938 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000424494922 1072599497 /nfs/dbraw/zinc/59/94/97/1072599497.db2.gz ORKMCIRKZCWNSG-MRXNPFEDSA-N 1 0 381.521 -0.938 20 0 GBADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424495220 1072599825 /nfs/dbraw/zinc/59/98/25/1072599825.db2.gz PUOKWLOVQOBVER-FPMFFAJLSA-N 1 0 378.477 -0.565 20 0 GBADRO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424495222 1072599567 /nfs/dbraw/zinc/59/95/67/1072599567.db2.gz PUOKWLOVQOBVER-KWCYVHTRSA-N 1 0 378.477 -0.565 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)C[C@H]2[NH3+])cn1 ZINC000424495418 1072599696 /nfs/dbraw/zinc/59/96/96/1072599696.db2.gz QDUBSWOVCWSABK-HDEZJCGLSA-N 1 0 375.473 -0.052 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)C[C@H]2[NH3+])cn1 ZINC000424495419 1072599647 /nfs/dbraw/zinc/59/96/47/1072599647.db2.gz QDUBSWOVCWSABK-NXNVCVFFSA-N 1 0 375.473 -0.052 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)C[C@H]2[NH3+])cn1 ZINC000424495422 1072599652 /nfs/dbraw/zinc/59/96/52/1072599652.db2.gz QDUBSWOVCWSABK-TXCZRRACSA-N 1 0 375.473 -0.052 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)C[C@H]2[NH3+])cn1 ZINC000424495424 1072599763 /nfs/dbraw/zinc/59/97/63/1072599763.db2.gz QDUBSWOVCWSABK-YQFWSFKMSA-N 1 0 375.473 -0.052 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccc4)C(=O)C3)C[C@H]2[NH3+])cn1 ZINC000424495485 1072599605 /nfs/dbraw/zinc/59/96/05/1072599605.db2.gz QLBZGNKPRBXRAF-DLBZAZTESA-N 1 0 396.451 -0.451 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCN(c3nc(N)ns3)CC1)CC[NH2+]CC2 ZINC000424495493 1072599556 /nfs/dbraw/zinc/59/95/56/1072599556.db2.gz QLWLEEMCSQEZRO-GFCCVEGCSA-N 1 0 393.517 -0.241 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1CC(F)F ZINC000424495521 1072599738 /nfs/dbraw/zinc/59/97/38/1072599738.db2.gz QMYMFXAWLXZIGJ-QLFBSQMISA-N 1 0 398.458 -0.139 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1CC(F)F ZINC000424495524 1072599780 /nfs/dbraw/zinc/59/97/80/1072599780.db2.gz QMYMFXAWLXZIGJ-SOUVJXGZSA-N 1 0 398.458 -0.139 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000424495684 1072599727 /nfs/dbraw/zinc/59/97/27/1072599727.db2.gz REEYWTUGUMLKBU-UHFFFAOYSA-N 1 0 384.521 -0.088 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424496329 1072599661 /nfs/dbraw/zinc/59/96/61/1072599661.db2.gz SXXZFEAHKZFGAN-HNNXBMFYSA-N 1 0 379.505 -0.743 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424496333 1072599677 /nfs/dbraw/zinc/59/96/77/1072599677.db2.gz SXXZFEAHKZFGAN-OAHLLOKOSA-N 1 0 379.505 -0.743 20 0 GBADRO CCOCCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424496624 1072599344 /nfs/dbraw/zinc/59/93/44/1072599344.db2.gz UQNHRAMGIDDQHD-HRCADAONSA-N 1 0 379.461 -0.673 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424497266 1072600395 /nfs/dbraw/zinc/60/03/95/1072600395.db2.gz WRCKOUXKAZHTDJ-AWEZNQCLSA-N 1 0 386.518 -0.529 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424497268 1072600591 /nfs/dbraw/zinc/60/05/91/1072600591.db2.gz WRCKOUXKAZHTDJ-CQSZACIVSA-N 1 0 386.518 -0.529 20 0 GBADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424497781 1072600689 /nfs/dbraw/zinc/60/06/89/1072600689.db2.gz XWJKKACPXRLRSM-JKSUJKDBSA-N 1 0 390.488 -0.562 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)C[C@H]2[NH3+])cn1 ZINC000424497800 1072600397 /nfs/dbraw/zinc/60/03/97/1072600397.db2.gz XZOPGXYKFSCNIU-IXDOHACOSA-N 1 0 384.440 -0.252 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](Oc4ccncc4)C3)C[C@H]2[NH3+])cn1 ZINC000424497801 1072600383 /nfs/dbraw/zinc/60/03/83/1072600383.db2.gz XZOPGXYKFSCNIU-YESZJQIVSA-N 1 0 384.440 -0.252 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000424497807 1072600399 /nfs/dbraw/zinc/60/03/99/1072600399.db2.gz YAWWCBMJIRJZGI-INIZCTEOSA-N 1 0 396.532 -0.231 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000424497808 1072600388 /nfs/dbraw/zinc/60/03/88/1072600388.db2.gz YAWWCBMJIRJZGI-MRXNPFEDSA-N 1 0 396.532 -0.231 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424497989 1072600623 /nfs/dbraw/zinc/60/06/23/1072600623.db2.gz YHEJRYYGDBSASZ-LSDHHAIUSA-N 1 0 376.461 -0.856 20 0 GBADRO CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424498109 1072600382 /nfs/dbraw/zinc/60/03/82/1072600382.db2.gz YWLLSRLLFUEEJI-FCEWJHQRSA-N 1 0 377.489 -0.070 20 0 GBADRO CC(C)[C@]1(CO)CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424498110 1072600390 /nfs/dbraw/zinc/60/03/90/1072600390.db2.gz YWLLSRLLFUEEJI-FRQCXROJSA-N 1 0 377.489 -0.070 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)CC[NH2+]CC2 ZINC000424498405 1072600674 /nfs/dbraw/zinc/60/06/74/1072600674.db2.gz ZLWWAFDJXFBQSN-CVEARBPZSA-N 1 0 382.505 -0.872 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)CC[NH2+]CC2 ZINC000424498406 1072600608 /nfs/dbraw/zinc/60/06/08/1072600608.db2.gz ZLWWAFDJXFBQSN-HOTGVXAUSA-N 1 0 382.505 -0.872 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)CC[NH2+]CC2 ZINC000424498407 1072600491 /nfs/dbraw/zinc/60/04/91/1072600491.db2.gz ZLWWAFDJXFBQSN-HZPDHXFCSA-N 1 0 382.505 -0.872 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)CC[NH2+]CC2 ZINC000424498408 1072600583 /nfs/dbraw/zinc/60/05/83/1072600583.db2.gz ZLWWAFDJXFBQSN-JKSUJKDBSA-N 1 0 382.505 -0.872 20 0 GBADRO COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424498434 1072600396 /nfs/dbraw/zinc/60/03/96/1072600396.db2.gz ZPEQMGDUIOTSME-PMUMKWKESA-N 1 0 377.445 -0.525 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424501330 1072600663 /nfs/dbraw/zinc/60/06/63/1072600663.db2.gz DZBXKGLMYBZBMD-JKSUJKDBSA-N 1 0 390.488 -0.372 20 0 GBADRO Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)nc2c1 ZINC000424501603 1072600338 /nfs/dbraw/zinc/60/03/38/1072600338.db2.gz FLYONOJVCGQRHY-JKSUJKDBSA-N 1 0 381.440 -0.054 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)C[C@H]2[NH3+])cn1 ZINC000424503213 1072601628 /nfs/dbraw/zinc/60/16/28/1072601628.db2.gz HXBPQAPZJHZATL-DLBZAZTESA-N 1 0 394.439 -0.430 20 0 GBADRO CC(C)OC(=O)CC[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424504507 1072601651 /nfs/dbraw/zinc/60/16/51/1072601651.db2.gz JQKLYQOXYXSRNW-AEGPPILISA-N 1 0 379.461 -0.090 20 0 GBADRO CC(C)OC(=O)CC[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424504509 1072601211 /nfs/dbraw/zinc/60/12/11/1072601211.db2.gz JQKLYQOXYXSRNW-VHDGCEQUSA-N 1 0 379.461 -0.090 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCN3CCCCCC3=O)C[C@H]2[NH3+])cn1 ZINC000424504670 1072601280 /nfs/dbraw/zinc/60/12/80/1072601280.db2.gz JYFNTYIBJKFFGJ-JKSUJKDBSA-N 1 0 390.488 -0.418 20 0 GBADRO CCOC(=O)C1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424505218 1072601477 /nfs/dbraw/zinc/60/14/77/1072601477.db2.gz KSYMSNCZCVSYFB-DISOXQEGSA-N 1 0 391.472 -0.089 20 0 GBADRO Cc1cccc2nc(CNC(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cn21 ZINC000424507093 1072601642 /nfs/dbraw/zinc/60/16/42/1072601642.db2.gz MQUFNAFRKRNYJQ-JKSUJKDBSA-N 1 0 381.440 -0.054 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424508253 1072601432 /nfs/dbraw/zinc/60/14/32/1072601432.db2.gz OLWMLCQVYBBRPK-AWEZNQCLSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424508255 1072601384 /nfs/dbraw/zinc/60/13/84/1072601384.db2.gz OLWMLCQVYBBRPK-CQSZACIVSA-N 1 0 388.534 -0.235 20 0 GBADRO Cc1ccc2nc(CNC(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cn2c1 ZINC000424508576 1072601502 /nfs/dbraw/zinc/60/15/02/1072601502.db2.gz PDNCPEDVPAJZAK-JKSUJKDBSA-N 1 0 381.440 -0.054 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc(N4CCC4=O)c3)C[C@H]2[NH3+])cn1 ZINC000424510790 1072596592 /nfs/dbraw/zinc/59/65/92/1072596592.db2.gz SGLIQYOAYACYNF-DLBZAZTESA-N 1 0 396.451 -0.274 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCn3c4ccccc4[nH]c3=O)C[C@H]2[NH3+])cn1 ZINC000424510937 1072601590 /nfs/dbraw/zinc/60/15/90/1072601590.db2.gz SQVDHVQOQRLZRZ-UONOGXRCSA-N 1 0 397.439 -0.455 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(=O)N3Cc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000424510940 1072601561 /nfs/dbraw/zinc/60/15/61/1072601561.db2.gz SRHDUPMIZITITA-DLBZAZTESA-N 1 0 396.451 -0.668 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(=O)N1CCCCC1 ZINC000424513169 1072603264 /nfs/dbraw/zinc/60/32/64/1072603264.db2.gz XBOKIBZCNMWGMB-AEGPPILISA-N 1 0 376.461 -0.810 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C[C@H]2[NH3+])cn1 ZINC000424514360 1072603173 /nfs/dbraw/zinc/60/31/73/1072603173.db2.gz ZRQUSIFSYOANRS-BBWFWOEESA-N 1 0 396.451 -0.405 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2[NH3+])cn1 ZINC000424514460 1072603240 /nfs/dbraw/zinc/60/32/40/1072603240.db2.gz ZRQUSIFSYOANRS-GVDBMIGSSA-N 1 0 396.451 -0.405 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ncnn3-c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424514803 1072603253 /nfs/dbraw/zinc/60/32/53/1072603253.db2.gz BHJLYIXEQYPMNN-JKSUJKDBSA-N 1 0 394.439 -0.430 20 0 GBADRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424515280 1072603220 /nfs/dbraw/zinc/60/32/20/1072603220.db2.gz BYMOJHIVEFHRNI-UQOMUDLDSA-N 1 0 377.445 -0.479 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccccc3OCCO)C[C@H]2[NH3+])cn1 ZINC000424515286 1072603076 /nfs/dbraw/zinc/60/30/76/1072603076.db2.gz BZPNYGFPNJGVOH-JKSUJKDBSA-N 1 0 387.440 -0.639 20 0 GBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424515681 1072603197 /nfs/dbraw/zinc/60/31/97/1072603197.db2.gz CSFFZPXZVYGUME-ARFHVFGLSA-N 1 0 383.489 -0.086 20 0 GBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424515682 1072602998 /nfs/dbraw/zinc/60/29/98/1072602998.db2.gz CSFFZPXZVYGUME-BZUAXINKSA-N 1 0 383.489 -0.086 20 0 GBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424515683 1072603041 /nfs/dbraw/zinc/60/30/41/1072603041.db2.gz CSFFZPXZVYGUME-HRCADAONSA-N 1 0 383.489 -0.086 20 0 GBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424515684 1072603048 /nfs/dbraw/zinc/60/30/48/1072603048.db2.gz CSFFZPXZVYGUME-OWCLPIDISA-N 1 0 383.489 -0.086 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOCC(F)(F)C(F)F)C[C@H]2[NH3+])cn1 ZINC000424516094 1072603249 /nfs/dbraw/zinc/60/32/49/1072603249.db2.gz DLFSVSNDGMBFCV-WDEREUQCSA-N 1 0 395.357 -0.294 20 0 GBADRO COc1ccc2c(c1)OC[C@@H](NC(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)C2 ZINC000424517175 1072603180 /nfs/dbraw/zinc/60/31/80/1072603180.db2.gz GDOPLHVOEVKGDV-BHYGNILZSA-N 1 0 399.451 -0.198 20 0 GBADRO COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)C2 ZINC000424517177 1072603140 /nfs/dbraw/zinc/60/31/40/1072603140.db2.gz GDOPLHVOEVKGDV-HYVNUMGLSA-N 1 0 399.451 -0.198 20 0 GBADRO CCNC(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424517532 1072602940 /nfs/dbraw/zinc/60/29/40/1072602940.db2.gz GLKSDHKPWJWPBT-DLBZAZTESA-N 1 0 398.467 -0.261 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)nn1 ZINC000424517559 1072602800 /nfs/dbraw/zinc/60/28/00/1072602800.db2.gz GPKCAZQKXMWCIT-GFCCVEGCSA-N 1 0 378.433 -0.942 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)nn1 ZINC000424517560 1072603226 /nfs/dbraw/zinc/60/32/26/1072603226.db2.gz GPKCAZQKXMWCIT-LBPRGKRZSA-N 1 0 378.433 -0.942 20 0 GBADRO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424518398 1072603737 /nfs/dbraw/zinc/60/37/37/1072603737.db2.gz HUVMDLMLEFBPKE-UONOGXRCSA-N 1 0 389.460 -0.706 20 0 GBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424518552 1072603776 /nfs/dbraw/zinc/60/37/76/1072603776.db2.gz IEDOFHVEQQILLU-DLBZAZTESA-N 1 0 398.467 -0.552 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424518701 1072604317 /nfs/dbraw/zinc/60/43/17/1072604317.db2.gz IJHMETBBBPBYER-AWEZNQCLSA-N 1 0 388.534 -0.235 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424518702 1072604302 /nfs/dbraw/zinc/60/43/02/1072604302.db2.gz IJHMETBBBPBYER-CQSZACIVSA-N 1 0 388.534 -0.235 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCNC(=O)CC3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424518713 1072603785 /nfs/dbraw/zinc/60/37/85/1072603785.db2.gz IKSLVMDFDJEPAF-JKSUJKDBSA-N 1 0 390.488 -0.514 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424518774 1072603122 /nfs/dbraw/zinc/60/31/22/1072603122.db2.gz ISTIDIWCSIAWOA-OKILXGFUSA-N 1 0 396.394 -0.663 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3c[nH]c4ncccc34)C[C@H]2[NH3+])cn1 ZINC000424519131 1072604320 /nfs/dbraw/zinc/60/43/20/1072604320.db2.gz JGXAIIBMNIFEKN-JKSUJKDBSA-N 1 0 381.440 -0.092 20 0 GBADRO CNC(=O)C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424521207 1072604265 /nfs/dbraw/zinc/60/42/65/1072604265.db2.gz LNUITRVWORZBOP-BBWFWOEESA-N 1 0 398.467 -0.333 20 0 GBADRO CNC(=O)C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424521210 1072604347 /nfs/dbraw/zinc/60/43/47/1072604347.db2.gz LNUITRVWORZBOP-GVDBMIGSSA-N 1 0 398.467 -0.333 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cn(C)nc3C(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000424522041 1072604097 /nfs/dbraw/zinc/60/40/97/1072604097.db2.gz MMSJWWONIDUPCV-NWDGAFQWSA-N 1 0 399.377 -0.258 20 0 GBADRO CN(CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC(F)(F)F ZINC000424522114 1072604258 /nfs/dbraw/zinc/60/42/58/1072604258.db2.gz MPZKBJHWZRCUSJ-QWHCGFSZSA-N 1 0 390.410 -0.326 20 0 GBADRO CCNC(=O)C1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCC1 ZINC000424522812 1072604249 /nfs/dbraw/zinc/60/42/49/1072604249.db2.gz NNXMIQJXDGWRIV-UONOGXRCSA-N 1 0 376.461 -0.904 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(=O)N3CCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000424523048 1072603956 /nfs/dbraw/zinc/60/39/56/1072603956.db2.gz NXICLHUBTONBSA-JKSUJKDBSA-N 1 0 396.451 -0.621 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc4c(c3)OCCO4)C[C@H]2[NH3+])cn1 ZINC000424523520 1072604033 /nfs/dbraw/zinc/60/40/33/1072604033.db2.gz OMDYWCHYCPKLSY-JKSUJKDBSA-N 1 0 399.451 -0.197 20 0 GBADRO COC(=O)c1cc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)oc1C ZINC000424524792 1072604232 /nfs/dbraw/zinc/60/42/32/1072604232.db2.gz QHRIKQQBLRMXRP-LSDHHAIUSA-N 1 0 389.412 -0.322 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCn3c4ccccc4oc3=O)C[C@H]2[NH3+])cn1 ZINC000424525270 1072603810 /nfs/dbraw/zinc/60/38/10/1072603810.db2.gz QUAICUXFCXPDRV-UONOGXRCSA-N 1 0 398.423 -0.603 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(OC(F)F)cn3)C[C@H]2[NH3+])cn1 ZINC000424526254 1072603829 /nfs/dbraw/zinc/60/38/29/1072603829.db2.gz RQLJLGRECJKYJH-UONOGXRCSA-N 1 0 394.382 -0.014 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424526731 1072604121 /nfs/dbraw/zinc/60/41/21/1072604121.db2.gz SFHDGTPRPICZDF-CYBMUJFWSA-N 1 0 386.518 -0.625 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)C[C@H]2[NH3+])cn1 ZINC000424527424 1072603904 /nfs/dbraw/zinc/60/39/04/1072603904.db2.gz SXXAETIVWSQNQD-GXTWGEPZSA-N 1 0 392.847 -0.083 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3F)C[C@H]2[NH3+])cn1 ZINC000424528335 1072601368 /nfs/dbraw/zinc/60/13/68/1072601368.db2.gz UENGVVGGBWBETR-GXTWGEPZSA-N 1 0 376.392 -0.598 20 0 GBADRO CN(CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC(F)(F)F ZINC000424528704 1072604311 /nfs/dbraw/zinc/60/43/11/1072604311.db2.gz UMJJNPGBKFDULO-NWDGAFQWSA-N 1 0 376.383 -0.717 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)C[C@H]2[NH3+])cn1 ZINC000424529781 1072602082 /nfs/dbraw/zinc/60/20/82/1072602082.db2.gz VFUVCMWLDLASOI-UONOGXRCSA-N 1 0 392.847 -0.083 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]2[NH3+])cn1 ZINC000424530590 1072602203 /nfs/dbraw/zinc/60/22/03/1072602203.db2.gz VWZDXBYRSJVHMG-QLFBSQMISA-N 1 0 385.424 -0.371 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3COc4ccccc4O3)C[C@H]2[NH3+])cn1 ZINC000424530592 1072602208 /nfs/dbraw/zinc/60/22/08/1072602208.db2.gz VWZDXBYRSJVHMG-SOUVJXGZSA-N 1 0 385.424 -0.371 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424530653 1072602177 /nfs/dbraw/zinc/60/21/77/1072602177.db2.gz WANZFXSOJVTWIK-AWEZNQCLSA-N 1 0 388.534 -0.235 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424530654 1072602311 /nfs/dbraw/zinc/60/23/11/1072602311.db2.gz WANZFXSOJVTWIK-CQSZACIVSA-N 1 0 388.534 -0.235 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C[C@H]2[NH3+])cn1 ZINC000424531012 1072602215 /nfs/dbraw/zinc/60/22/15/1072602215.db2.gz WJNICYMNOVCVHS-HRCADAONSA-N 1 0 398.471 -0.752 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C[C@H]2[NH3+])cn1 ZINC000424531016 1072602418 /nfs/dbraw/zinc/60/24/18/1072602418.db2.gz WJNICYMNOVCVHS-OWCLPIDISA-N 1 0 398.471 -0.752 20 0 GBADRO CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424531117 1072602008 /nfs/dbraw/zinc/60/20/08/1072602008.db2.gz WQLNXKSVBWKIDZ-LSDHHAIUSA-N 1 0 387.488 -0.152 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424531330 1072602023 /nfs/dbraw/zinc/60/20/23/1072602023.db2.gz WUJUQVHIZHYSAM-CYJAXWMASA-N 1 0 375.473 -0.005 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@]3(C)CCO[C@@H]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424531332 1072601976 /nfs/dbraw/zinc/60/19/76/1072601976.db2.gz WUJUQVHIZHYSAM-MKSNKDDYSA-N 1 0 375.473 -0.005 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424531333 1072602190 /nfs/dbraw/zinc/60/21/90/1072602190.db2.gz WUJUQVHIZHYSAM-RCJHGTSTSA-N 1 0 375.473 -0.005 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)C[C@H]2[NH3+])cn1 ZINC000424531336 1072602397 /nfs/dbraw/zinc/60/23/97/1072602397.db2.gz WUJUQVHIZHYSAM-WFXMFSGNSA-N 1 0 375.473 -0.005 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(-n4cncn4)cc3)C[C@H]2[NH3+])cn1 ZINC000424531514 1072602329 /nfs/dbraw/zinc/60/23/29/1072602329.db2.gz XBEQOHJIESDTFX-DLBZAZTESA-N 1 0 394.439 -0.430 20 0 GBADRO CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)nn1 ZINC000424532346 1072602220 /nfs/dbraw/zinc/60/22/20/1072602220.db2.gz OTAFZYCHPITGLB-FVQBIDKESA-N 1 0 394.476 -0.415 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)C[C@H]2[NH3+])cn1 ZINC000424534755 1072602346 /nfs/dbraw/zinc/60/23/46/1072602346.db2.gz ZOAMTYIBSAXMQQ-HRCADAONSA-N 1 0 383.456 -0.537 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)C[C@H]2[NH3+])cn1 ZINC000424534758 1072601997 /nfs/dbraw/zinc/60/19/97/1072601997.db2.gz ZOAMTYIBSAXMQQ-OWCLPIDISA-N 1 0 383.456 -0.537 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1=O ZINC000424534785 1072602200 /nfs/dbraw/zinc/60/22/00/1072602200.db2.gz ZPCRKDFJMVCLIE-KBPBESRZSA-N 1 0 394.472 -0.743 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1=O ZINC000424534788 1072602480 /nfs/dbraw/zinc/60/24/80/1072602480.db2.gz ZPCRKDFJMVCLIE-KGLIPLIRSA-N 1 0 394.472 -0.743 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1=O ZINC000424534790 1072602185 /nfs/dbraw/zinc/60/21/85/1072602185.db2.gz ZPCRKDFJMVCLIE-UONOGXRCSA-N 1 0 394.472 -0.743 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1=O ZINC000424534793 1072602444 /nfs/dbraw/zinc/60/24/44/1072602444.db2.gz ZPCRKDFJMVCLIE-ZIAGYGMSSA-N 1 0 394.472 -0.743 20 0 GBADRO CN(C(=O)C(=O)NCCNC(=O)CCCc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000424535369 1072602057 /nfs/dbraw/zinc/60/20/57/1072602057.db2.gz AFLFINGZVKQMKI-HOTGVXAUSA-N 1 0 376.457 -0.967 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccc4O)CC3)C[C@H]2[NH3+])cn1 ZINC000424535516 1072601967 /nfs/dbraw/zinc/60/19/67/1072601967.db2.gz ALGJYARNABJVDZ-JKSUJKDBSA-N 1 0 398.467 -0.272 20 0 GBADRO COCCO[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424536170 1072602462 /nfs/dbraw/zinc/60/24/62/1072602462.db2.gz BBQGBSLABKUVEL-HRCADAONSA-N 1 0 379.461 -0.673 20 0 GBADRO COCCO[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424536173 1072602044 /nfs/dbraw/zinc/60/20/44/1072602044.db2.gz BBQGBSLABKUVEL-OWCLPIDISA-N 1 0 379.461 -0.673 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccon4)CC3)C[C@H]2[NH3+])cn1 ZINC000424536790 1072602279 /nfs/dbraw/zinc/60/22/79/1072602279.db2.gz BJZYRKDEIOOATC-JKSUJKDBSA-N 1 0 387.444 -0.994 20 0 GBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000424537291 1072603202 /nfs/dbraw/zinc/60/32/02/1072603202.db2.gz CAPUVUCKZQBFOJ-HDEZJCGLSA-N 1 0 392.504 -0.759 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1(C)C ZINC000424537413 1072603211 /nfs/dbraw/zinc/60/32/11/1072603211.db2.gz CEUHQFCDZBEIFK-LSDHHAIUSA-N 1 0 390.488 -0.469 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000424537456 1072602819 /nfs/dbraw/zinc/60/28/19/1072602819.db2.gz CLBSUODPUQZFNW-JKSUJKDBSA-N 1 0 383.456 -0.583 20 0 GBADRO CCOC(=O)CC1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424537492 1072602104 /nfs/dbraw/zinc/60/21/04/1072602104.db2.gz CPMHHVUOMGPLMY-JKSUJKDBSA-N 1 0 391.472 -0.135 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc4c(c3)CCO4)C[C@H]2[NH3+])cn1 ZINC000424538051 1072603233 /nfs/dbraw/zinc/60/32/33/1072603233.db2.gz BXTIYXOITRGUIH-DLBZAZTESA-N 1 0 383.452 -0.033 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccncc4)CC3)C[C@H]2[NH3+])cn1 ZINC000424538683 1072603193 /nfs/dbraw/zinc/60/31/93/1072603193.db2.gz DJLNRSCZCNFEFR-ZWKOTPCHSA-N 1 0 397.483 -0.587 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)CC(=O)N1C ZINC000424538695 1072602885 /nfs/dbraw/zinc/60/28/85/1072602885.db2.gz DJZZIJYBQXLYGX-CJNGLKHVSA-N 1 0 390.488 -0.330 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1=O ZINC000424539469 1072603980 /nfs/dbraw/zinc/60/39/80/1072603980.db2.gz FJLCABVTZFCUJM-LSDHHAIUSA-N 1 0 376.461 -1.000 20 0 GBADRO COC(=O)CC1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424539481 1072603752 /nfs/dbraw/zinc/60/37/52/1072603752.db2.gz FLHUTSLYLJEUKM-LSDHHAIUSA-N 1 0 377.445 -0.525 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)CCO1 ZINC000424539521 1072602244 /nfs/dbraw/zinc/60/22/44/1072602244.db2.gz FRAINJASZWHHJK-INIZCTEOSA-N 1 0 376.457 -0.572 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)CCO1 ZINC000424539522 1072603015 /nfs/dbraw/zinc/60/30/15/1072603015.db2.gz FRAINJASZWHHJK-MRXNPFEDSA-N 1 0 376.457 -0.572 20 0 GBADRO CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H](C)CS(=O)(=O)CC ZINC000424539919 1072603872 /nfs/dbraw/zinc/60/38/72/1072603872.db2.gz FSUKIEYPYKODGK-AEGPPILISA-N 1 0 399.517 -0.655 20 0 GBADRO CCN(C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H](C)CS(=O)(=O)CC ZINC000424539922 1072603991 /nfs/dbraw/zinc/60/39/91/1072603991.db2.gz FSUKIEYPYKODGK-VHDGCEQUSA-N 1 0 399.517 -0.655 20 0 GBADRO COCCN(Cc1ccccn1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424540469 1072604194 /nfs/dbraw/zinc/60/41/94/1072604194.db2.gz GGHVFSKGBOONTA-DLBZAZTESA-N 1 0 386.456 -0.257 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000424540997 1072604168 /nfs/dbraw/zinc/60/41/68/1072604168.db2.gz GSTWWGLLKFRFOI-ZWKOTPCHSA-N 1 0 397.483 -0.587 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424541155 1072604942 /nfs/dbraw/zinc/60/49/42/1072604942.db2.gz HFBCNZLQLOLTDM-QLFBSQMISA-N 1 0 376.461 -0.810 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424541158 1072604879 /nfs/dbraw/zinc/60/48/79/1072604879.db2.gz HFBCNZLQLOLTDM-SOUVJXGZSA-N 1 0 376.461 -0.810 20 0 GBADRO COc1cccc2c1C[C@@H](NC(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)C2 ZINC000424541170 1072604803 /nfs/dbraw/zinc/60/48/03/1072604803.db2.gz DRXNJFLLQYUOKB-BHYGNILZSA-N 1 0 383.452 -0.035 20 0 GBADRO COc1cccc2c1C[C@H](NC(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)C2 ZINC000424541171 1072604977 /nfs/dbraw/zinc/60/49/77/1072604977.db2.gz DRXNJFLLQYUOKB-HYVNUMGLSA-N 1 0 383.452 -0.035 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](c4cccc(O)c4)C3)C[C@H]2[NH3+])cn1 ZINC000424541738 1072603760 /nfs/dbraw/zinc/60/37/60/1072603760.db2.gz HTQNLPOZBSNRFE-KSZLIROESA-N 1 0 399.451 -0.021 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)C[C@H]2[NH3+])cn1 ZINC000424541743 1072605101 /nfs/dbraw/zinc/60/51/01/1072605101.db2.gz HTQNLPOZBSNRFE-RCCFBDPRSA-N 1 0 399.451 -0.021 20 0 GBADRO CC(=O)Nc1ccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424542484 1072605112 /nfs/dbraw/zinc/60/51/12/1072605112.db2.gz FOZJIBLBARDDIZ-ZWKOTPCHSA-N 1 0 398.467 -0.010 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000424542892 1072604940 /nfs/dbraw/zinc/60/49/40/1072604940.db2.gz ISBYVTHWNGRBTG-JTQLQIEISA-N 1 0 390.366 -0.946 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000424542894 1072604858 /nfs/dbraw/zinc/60/48/58/1072604858.db2.gz ISBYVTHWNGRBTG-SNVBAGLBSA-N 1 0 390.366 -0.946 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@](O)(C(F)(F)F)C3)C[C@H]2[NH3+])cn1 ZINC000424542895 1072605132 /nfs/dbraw/zinc/60/51/32/1072605132.db2.gz ISHVAWQTTGCKDC-YWPYICTPSA-N 1 0 389.378 -0.411 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@](O)(C(F)(F)F)C3)C[C@H]2[NH3+])cn1 ZINC000424542897 1072604838 /nfs/dbraw/zinc/60/48/38/1072604838.db2.gz ISHVAWQTTGCKDC-ZOWXZIJZSA-N 1 0 389.378 -0.411 20 0 GBADRO COC(=O)[C@]1(C)CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000424542988 1072604908 /nfs/dbraw/zinc/60/49/08/1072604908.db2.gz JAPVYMGXYWUGGI-BFPDHSSHSA-N 1 0 377.445 -0.669 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCn3cnc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000424543000 1072604876 /nfs/dbraw/zinc/60/48/76/1072604876.db2.gz FXMIWXVWGVVGNR-LSDHHAIUSA-N 1 0 381.440 -0.161 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543331 1072604885 /nfs/dbraw/zinc/60/48/85/1072604885.db2.gz JIXBSJFKZYUVPW-HRCADAONSA-N 1 0 399.451 -0.028 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543332 1072604935 /nfs/dbraw/zinc/60/49/35/1072604935.db2.gz JIXBSJFKZYUVPW-OWCLPIDISA-N 1 0 399.451 -0.028 20 0 GBADRO C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543633 1072604906 /nfs/dbraw/zinc/60/49/06/1072604906.db2.gz GNHYYLJTCLAKNG-ADEWGFFLSA-N 1 0 377.367 -0.243 20 0 GBADRO C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543636 1072604873 /nfs/dbraw/zinc/60/48/73/1072604873.db2.gz GNHYYLJTCLAKNG-ZMLRMANQSA-N 1 0 377.367 -0.243 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCOCC1 ZINC000424544161 1072605078 /nfs/dbraw/zinc/60/50/78/1072605078.db2.gz HAYKKWDAYRICPR-BBWFWOEESA-N 1 0 392.504 -0.854 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCOCC1 ZINC000424544163 1072605123 /nfs/dbraw/zinc/60/51/23/1072605123.db2.gz HAYKKWDAYRICPR-GVDBMIGSSA-N 1 0 392.504 -0.854 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC3(C[C@@H]1C)CC[NH2+]CC3)CC2 ZINC000424544186 1072604882 /nfs/dbraw/zinc/60/48/82/1072604882.db2.gz HBDVRDBRWNVBDS-KBPBESRZSA-N 1 0 390.488 -0.154 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC3(C[C@H]1C)CC[NH2+]CC3)CC2 ZINC000424544190 1072604812 /nfs/dbraw/zinc/60/48/12/1072604812.db2.gz HBDVRDBRWNVBDS-KGLIPLIRSA-N 1 0 390.488 -0.154 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC3(C[C@@H]1C)CC[NH2+]CC3)CC2 ZINC000424544195 1072604904 /nfs/dbraw/zinc/60/49/04/1072604904.db2.gz HBDVRDBRWNVBDS-UONOGXRCSA-N 1 0 390.488 -0.154 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC3(C[C@H]1C)CC[NH2+]CC3)CC2 ZINC000424544199 1072604984 /nfs/dbraw/zinc/60/49/84/1072604984.db2.gz HBDVRDBRWNVBDS-ZIAGYGMSSA-N 1 0 390.488 -0.154 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)C[C@H]2[NH3+])cn1 ZINC000424544261 1072604844 /nfs/dbraw/zinc/60/48/44/1072604844.db2.gz HEJVMPVPJPWZQT-JKSUJKDBSA-N 1 0 394.439 -0.430 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccnc(N4CCCC4)c3)C[C@H]2[NH3+])cn1 ZINC000424544835 1072604923 /nfs/dbraw/zinc/60/49/23/1072604923.db2.gz HLJXNLOFTDAHPY-DLBZAZTESA-N 1 0 397.483 -0.015 20 0 GBADRO COCCN(Cc1cccnc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424544993 1072604931 /nfs/dbraw/zinc/60/49/31/1072604931.db2.gz LDJMIYMZDJEDLT-DLBZAZTESA-N 1 0 386.456 -0.257 20 0 GBADRO Cc1nccnc1N1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424545255 1072605062 /nfs/dbraw/zinc/60/50/62/1072605062.db2.gz LNTIZHJQLDBAQO-JKSUJKDBSA-N 1 0 398.471 -0.880 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC(Cc4nccn4C)CC3)C[C@H]2[NH3+])cn1 ZINC000424546006 1072604916 /nfs/dbraw/zinc/60/49/16/1072604916.db2.gz MJDTTYQDNWEESQ-DLBZAZTESA-N 1 0 399.499 -0.112 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C[C@H]2[NH3+])cn1 ZINC000424547018 1072604866 /nfs/dbraw/zinc/60/48/66/1072604866.db2.gz NXCHSLANRATLJH-QWHCGFSZSA-N 1 0 388.394 -0.620 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547027 1072605998 /nfs/dbraw/zinc/60/59/98/1072605998.db2.gz NYUNNUXNCZGVNT-AEGPPILISA-N 1 0 377.445 -0.525 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547028 1072605645 /nfs/dbraw/zinc/60/56/45/1072605645.db2.gz NYUNNUXNCZGVNT-VHDGCEQUSA-N 1 0 377.445 -0.525 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4n3)C[C@H]2[NH3+])cn1 ZINC000424547162 1072605683 /nfs/dbraw/zinc/60/56/83/1072605683.db2.gz JVMHQFLTRVDKSY-JKSUJKDBSA-N 1 0 381.440 -0.320 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547238 1072605852 /nfs/dbraw/zinc/60/58/52/1072605852.db2.gz KATDLIURTMGTGR-DMRZNYOFSA-N 1 0 390.488 -0.564 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547241 1072605633 /nfs/dbraw/zinc/60/56/33/1072605633.db2.gz KATDLIURTMGTGR-DRPJVOAASA-N 1 0 390.488 -0.564 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547245 1072605572 /nfs/dbraw/zinc/60/55/72/1072605572.db2.gz KATDLIURTMGTGR-QCEMKRCNSA-N 1 0 390.488 -0.564 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424547248 1072606006 /nfs/dbraw/zinc/60/60/06/1072606006.db2.gz KATDLIURTMGTGR-SYAUCNOPSA-N 1 0 390.488 -0.564 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547750 1072605594 /nfs/dbraw/zinc/60/55/94/1072605594.db2.gz KKYLCLQQZMRNRQ-HZSPNIEDSA-N 1 0 376.461 -0.811 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424547751 1072605924 /nfs/dbraw/zinc/60/59/24/1072605924.db2.gz KKYLCLQQZMRNRQ-MELADBBJSA-N 1 0 376.461 -0.811 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424547858 1072605906 /nfs/dbraw/zinc/60/59/06/1072605906.db2.gz KTZIVSYCVSNGII-BHYGNILZSA-N 1 0 396.451 -0.405 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424547859 1072606027 /nfs/dbraw/zinc/60/60/27/1072606027.db2.gz KTZIVSYCVSNGII-HYVNUMGLSA-N 1 0 396.451 -0.405 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424547917 1072605980 /nfs/dbraw/zinc/60/59/80/1072605980.db2.gz PITWUQUXMIIBML-DLBZAZTESA-N 1 0 392.504 -0.758 20 0 GBADRO CCNC(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424548262 1072605772 /nfs/dbraw/zinc/60/57/72/1072605772.db2.gz LCCZKTVACJFNPD-DLBZAZTESA-N 1 0 398.467 -0.261 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](Cc4nccn4C)C3)C[C@H]2[NH3+])cn1 ZINC000424548876 1072605710 /nfs/dbraw/zinc/60/57/10/1072605710.db2.gz QJLLVZRICOHMPY-BHYGNILZSA-N 1 0 399.499 -0.112 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](Cc4nccn4C)C3)C[C@H]2[NH3+])cn1 ZINC000424548879 1072606048 /nfs/dbraw/zinc/60/60/48/1072606048.db2.gz QJLLVZRICOHMPY-HYVNUMGLSA-N 1 0 399.499 -0.112 20 0 GBADRO O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000424549554 1072605670 /nfs/dbraw/zinc/60/56/70/1072605670.db2.gz RNXWNHZBVYLANA-KRWDZBQOSA-N 1 0 390.484 -0.264 20 0 GBADRO O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000424549557 1072605947 /nfs/dbraw/zinc/60/59/47/1072605947.db2.gz RNXWNHZBVYLANA-QGZVFWFLSA-N 1 0 390.484 -0.264 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccco4)CC3)C[C@H]2[NH3+])cn1 ZINC000424549565 1072605956 /nfs/dbraw/zinc/60/59/56/1072605956.db2.gz RORYKYJYNGXOCM-DLBZAZTESA-N 1 0 386.456 -0.389 20 0 GBADRO COC(=O)c1ccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)s1 ZINC000424550156 1072605993 /nfs/dbraw/zinc/60/59/93/1072605993.db2.gz SFMPGFUASGBAJZ-QWHCGFSZSA-N 1 0 391.453 -0.162 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)CCCO1 ZINC000424550242 1072605827 /nfs/dbraw/zinc/60/58/27/1072605827.db2.gz SJSYOVPDEKAHCW-KRWDZBQOSA-N 1 0 390.484 -0.182 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)CCCO1 ZINC000424550243 1072605726 /nfs/dbraw/zinc/60/57/26/1072605726.db2.gz SJSYOVPDEKAHCW-QGZVFWFLSA-N 1 0 390.484 -0.182 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)n1 ZINC000424550257 1072605977 /nfs/dbraw/zinc/60/59/77/1072605977.db2.gz SMKNBNXXXMKNOW-OLZOCXBDSA-N 1 0 375.429 -0.672 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC(=O)N1C ZINC000424550280 1072606009 /nfs/dbraw/zinc/60/60/09/1072606009.db2.gz SSMZIXYRRBBCMY-CPUCHLNUSA-N 1 0 390.488 -0.378 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC(=O)N1C ZINC000424550281 1072605693 /nfs/dbraw/zinc/60/56/93/1072605693.db2.gz SSMZIXYRRBBCMY-KEYYUXOJSA-N 1 0 390.488 -0.378 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000424550988 1072605652 /nfs/dbraw/zinc/60/56/52/1072605652.db2.gz UQAUYSMGOVUNFE-BBRMVZONSA-N 1 0 377.445 -0.154 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000424550989 1072606023 /nfs/dbraw/zinc/60/60/23/1072606023.db2.gz UQAUYSMGOVUNFE-CJNGLKHVSA-N 1 0 377.445 -0.154 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000424550990 1072606032 /nfs/dbraw/zinc/60/60/32/1072606032.db2.gz UQAUYSMGOVUNFE-CZUORRHYSA-N 1 0 377.445 -0.154 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000424550991 1072605839 /nfs/dbraw/zinc/60/58/39/1072605839.db2.gz UQAUYSMGOVUNFE-XJKSGUPXSA-N 1 0 377.445 -0.154 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)CC(=O)N1C ZINC000424551285 1072606923 /nfs/dbraw/zinc/60/69/23/1072606923.db2.gz UZLCLZXVKKQKNI-CJNGLKHVSA-N 1 0 376.461 -0.896 20 0 GBADRO CO[C@H](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(F)(F)F ZINC000424551288 1072606887 /nfs/dbraw/zinc/60/68/87/1072606887.db2.gz OKZDXHRSJPGNCY-QJPTWQEYSA-N 1 0 377.367 -0.243 20 0 GBADRO CO[C@@H](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(F)(F)F ZINC000424551294 1072606768 /nfs/dbraw/zinc/60/67/68/1072606768.db2.gz OKZDXHRSJPGNCY-TUAOUCFPSA-N 1 0 377.367 -0.243 20 0 GBADRO COCCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424551397 1072606592 /nfs/dbraw/zinc/60/65/92/1072606592.db2.gz VRCHZEYUUVOSDI-JKSUJKDBSA-N 1 0 375.429 -0.059 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C[C@H]2[NH3+])cn1 ZINC000424551461 1072606684 /nfs/dbraw/zinc/60/66/84/1072606684.db2.gz OSMUXXSTQPWVCI-DLBZAZTESA-N 1 0 397.483 -0.015 20 0 GBADRO CCOC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424551538 1072606632 /nfs/dbraw/zinc/60/66/32/1072606632.db2.gz WGRNIFDDYXWBKF-LSDHHAIUSA-N 1 0 377.445 -0.525 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC(=O)N1C ZINC000424551614 1072606584 /nfs/dbraw/zinc/60/65/84/1072606584.db2.gz WLDBXQYPLLYJFI-CPUCHLNUSA-N 1 0 390.488 -0.378 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])CC(=O)N1C ZINC000424551615 1072606556 /nfs/dbraw/zinc/60/65/56/1072606556.db2.gz WLDBXQYPLLYJFI-KEYYUXOJSA-N 1 0 390.488 -0.378 20 0 GBADRO COC(=O)[C@H]1CC12CCN(C(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CC2 ZINC000424551660 1072606762 /nfs/dbraw/zinc/60/67/62/1072606762.db2.gz WSCUNRMFOXSTSE-RRFJBIMHSA-N 1 0 389.456 -0.525 20 0 GBADRO COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CC2 ZINC000424551661 1072606803 /nfs/dbraw/zinc/60/68/03/1072606803.db2.gz WSCUNRMFOXSTSE-SOUVJXGZSA-N 1 0 389.456 -0.525 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC(=O)N1C ZINC000424551701 1072606491 /nfs/dbraw/zinc/60/64/91/1072606491.db2.gz WXJXIEUFFKWTDI-CPUCHLNUSA-N 1 0 390.488 -0.459 20 0 GBADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC(=O)N1C ZINC000424551702 1072606894 /nfs/dbraw/zinc/60/68/94/1072606894.db2.gz WXJXIEUFFKWTDI-KEYYUXOJSA-N 1 0 390.488 -0.459 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(=O)N3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424551777 1072606747 /nfs/dbraw/zinc/60/67/47/1072606747.db2.gz PICIZNKBZBEWOW-LSDHHAIUSA-N 1 0 376.461 -0.808 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1=O ZINC000424551923 1072605941 /nfs/dbraw/zinc/60/59/41/1072605941.db2.gz WZXCLKWXGSEBFJ-CWRNSKLLSA-N 1 0 390.488 -0.612 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1=O ZINC000424551924 1072605990 /nfs/dbraw/zinc/60/59/90/1072605990.db2.gz WZXCLKWXGSEBFJ-VNQPRFMTSA-N 1 0 390.488 -0.612 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551954 1072605968 /nfs/dbraw/zinc/60/59/68/1072605968.db2.gz XDZQQSVMIBXSFP-BETUJISGSA-N 1 0 385.367 -0.332 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551981 1072606037 /nfs/dbraw/zinc/60/60/37/1072606037.db2.gz XHLQFQIDTKLSPR-TVYUQYBPSA-N 1 0 383.351 -0.580 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551982 1072605806 /nfs/dbraw/zinc/60/58/06/1072605806.db2.gz XHLQFQIDTKLSPR-WQAKAFBOSA-N 1 0 383.351 -0.580 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551998 1072606756 /nfs/dbraw/zinc/60/67/56/1072606756.db2.gz XJNQJXBYCGWUOP-HONMWMINSA-N 1 0 397.378 -0.190 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000424551999 1072606818 /nfs/dbraw/zinc/60/68/18/1072606818.db2.gz XJNQJXBYCGWUOP-LEWSCRJBSA-N 1 0 397.378 -0.190 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCN(C3CCOCC3)C1=O)CC[NH2+]CC2 ZINC000424552096 1072606783 /nfs/dbraw/zinc/60/67/83/1072606783.db2.gz PYDFAHTWWHKCOT-GDBMZVCRSA-N 1 0 392.500 -0.127 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCN(C3CCOCC3)C1=O)CC[NH2+]CC2 ZINC000424552097 1072606479 /nfs/dbraw/zinc/60/64/79/1072606479.db2.gz PYDFAHTWWHKCOT-GOEBONIOSA-N 1 0 392.500 -0.127 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCN(C3CCOCC3)C1=O)CC[NH2+]CC2 ZINC000424552098 1072606752 /nfs/dbraw/zinc/60/67/52/1072606752.db2.gz PYDFAHTWWHKCOT-HOCLYGCPSA-N 1 0 392.500 -0.127 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCN(C3CCOCC3)C1=O)CC[NH2+]CC2 ZINC000424552101 1072606796 /nfs/dbraw/zinc/60/67/96/1072606796.db2.gz PYDFAHTWWHKCOT-ZBFHGGJFSA-N 1 0 392.500 -0.127 20 0 GBADRO Cc1nccc(N2CCN(C(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)CC2)n1 ZINC000424552367 1072606501 /nfs/dbraw/zinc/60/65/01/1072606501.db2.gz XVOFMQUOGSNOHF-JKSUJKDBSA-N 1 0 398.471 -0.880 20 0 GBADRO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552368 1072606718 /nfs/dbraw/zinc/60/67/18/1072606718.db2.gz XWANDIRELFRECC-CWRNSKLLSA-N 1 0 390.488 -0.562 20 0 GBADRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552369 1072606874 /nfs/dbraw/zinc/60/68/74/1072606874.db2.gz XWANDIRELFRECC-VNQPRFMTSA-N 1 0 390.488 -0.562 20 0 GBADRO CC(=O)Nc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424552626 1072606656 /nfs/dbraw/zinc/60/66/56/1072606656.db2.gz QJZZVXSAYPOURX-DLBZAZTESA-N 1 0 384.440 -0.052 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCNC(=O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424552671 1072606725 /nfs/dbraw/zinc/60/67/25/1072606725.db2.gz QNJCVKHSWZHBAR-JKSUJKDBSA-N 1 0 384.440 -0.781 20 0 GBADRO O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000424552747 1072606524 /nfs/dbraw/zinc/60/65/24/1072606524.db2.gz YIKZUCBCPGFNTM-INIZCTEOSA-N 1 0 376.457 -0.654 20 0 GBADRO O=C(CCCc1ccccc1)NCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000424552748 1072606808 /nfs/dbraw/zinc/60/68/08/1072606808.db2.gz YIKZUCBCPGFNTM-MRXNPFEDSA-N 1 0 376.457 -0.654 20 0 GBADRO Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)CC2)c1 ZINC000424553163 1072606901 /nfs/dbraw/zinc/60/69/01/1072606901.db2.gz ZBQYTKDUAYAWKC-DLBZAZTESA-N 1 0 397.483 -0.275 20 0 GBADRO COC(=O)c1cccc(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424553520 1072606838 /nfs/dbraw/zinc/60/68/38/1072606838.db2.gz RERCGHZAUOZKQG-DLBZAZTESA-N 1 0 399.451 -0.181 20 0 GBADRO CN(C)C(=O)C1(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCC1 ZINC000424554205 1072606790 /nfs/dbraw/zinc/60/67/90/1072606790.db2.gz RWHGYWRYSQTPAO-LSDHHAIUSA-N 1 0 390.488 -0.562 20 0 GBADRO COc1ccc(OCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424554255 1072606670 /nfs/dbraw/zinc/60/66/70/1072606670.db2.gz RYTZQSNXRPZYJB-DLBZAZTESA-N 1 0 387.440 -0.123 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCNC(=O)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424554791 1072606823 /nfs/dbraw/zinc/60/68/23/1072606823.db2.gz SNFXJGJLQZVVTM-DLBZAZTESA-N 1 0 398.467 -0.391 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000424556297 1072606452 /nfs/dbraw/zinc/60/64/52/1072606452.db2.gz UOTCEIQGUPIQHN-HRCADAONSA-N 1 0 379.461 -0.625 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000424556657 1072606422 /nfs/dbraw/zinc/60/64/22/1072606422.db2.gz UOTCEIQGUPIQHN-OWCLPIDISA-N 1 0 379.461 -0.625 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3nn(C)c4ccccc34)C[C@H]2[NH3+])cn1 ZINC000424557192 1072606575 /nfs/dbraw/zinc/60/65/75/1072606575.db2.gz VJEJPNQHDNVOSQ-JKSUJKDBSA-N 1 0 395.467 -0.081 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(=O)N3CCCCCC3)C[C@H]2[NH3+])cn1 ZINC000424557283 1072606644 /nfs/dbraw/zinc/60/66/44/1072606644.db2.gz VNVXUGTXHXNIQD-JKSUJKDBSA-N 1 0 390.488 -0.418 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCNC(=O)c3cccs3)C[C@H]2[NH3+])cn1 ZINC000424557401 1072606604 /nfs/dbraw/zinc/60/66/04/1072606604.db2.gz VUWPFZUIQNFTEA-QWHCGFSZSA-N 1 0 390.469 -0.719 20 0 GBADRO 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CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000425733659 1072786975 /nfs/dbraw/zinc/78/69/75/1072786975.db2.gz ARGORGUXYCTWPH-STQMWFEESA-N 1 0 378.433 -0.278 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000425734435 1072788429 /nfs/dbraw/zinc/78/84/29/1072788429.db2.gz CDDGYNOERUQITE-ACJLOTCBSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000425734436 1072788481 /nfs/dbraw/zinc/78/84/81/1072788481.db2.gz CDDGYNOERUQITE-FZKQIMNGSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000425734440 1072788384 /nfs/dbraw/zinc/78/83/84/1072788384.db2.gz CDDGYNOERUQITE-SCLBCKFNSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000425734444 1072788753 /nfs/dbraw/zinc/78/87/53/1072788753.db2.gz CDDGYNOERUQITE-UGSOOPFHSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000425738213 1072790321 /nfs/dbraw/zinc/79/03/21/1072790321.db2.gz JBSLXZDEBFKSGY-CYBMUJFWSA-N 1 0 378.433 -0.134 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000425738214 1072790326 /nfs/dbraw/zinc/79/03/26/1072790326.db2.gz JBSLXZDEBFKSGY-ZDUSSCGKSA-N 1 0 378.433 -0.134 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000425738606 1072790044 /nfs/dbraw/zinc/79/00/44/1072790044.db2.gz JGGNJLHXUDIWKD-HZSPNIEDSA-N 1 0 394.476 0.262 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000425738608 1072790071 /nfs/dbraw/zinc/79/00/71/1072790071.db2.gz JGGNJLHXUDIWKD-MELADBBJSA-N 1 0 394.476 0.262 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000425738609 1072790527 /nfs/dbraw/zinc/79/05/27/1072790527.db2.gz JGGNJLHXUDIWKD-MGPQQGTHSA-N 1 0 394.476 0.262 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000425738611 1072790555 /nfs/dbraw/zinc/79/05/55/1072790555.db2.gz JGGNJLHXUDIWKD-MJBXVCDLSA-N 1 0 394.476 0.262 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000425738949 1072789995 /nfs/dbraw/zinc/78/99/95/1072789995.db2.gz GHARADKXBPAIBA-AWEZNQCLSA-N 1 0 392.460 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000425738951 1072790179 /nfs/dbraw/zinc/79/01/79/1072790179.db2.gz GHARADKXBPAIBA-CQSZACIVSA-N 1 0 392.460 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2CC)n1 ZINC000425739141 1072790219 /nfs/dbraw/zinc/79/02/19/1072790219.db2.gz IMDGCWUZPZDTHW-CYBMUJFWSA-N 1 0 380.449 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)n1 ZINC000425739144 1072790422 /nfs/dbraw/zinc/79/04/22/1072790422.db2.gz IMDGCWUZPZDTHW-ZDUSSCGKSA-N 1 0 380.449 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000425739447 1072789442 /nfs/dbraw/zinc/78/94/42/1072789442.db2.gz GWAXSHAVINOUIS-CYBMUJFWSA-N 1 0 380.449 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000425739451 1072789688 /nfs/dbraw/zinc/78/96/88/1072789688.db2.gz GWAXSHAVINOUIS-ZDUSSCGKSA-N 1 0 380.449 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000425740124 1072790439 /nfs/dbraw/zinc/79/04/39/1072790439.db2.gz LGLPSMQIVXBIAD-CYBMUJFWSA-N 1 0 380.449 0.016 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000425740125 1072790482 /nfs/dbraw/zinc/79/04/82/1072790482.db2.gz LGLPSMQIVXBIAD-ZDUSSCGKSA-N 1 0 380.449 0.016 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000425740349 1072789614 /nfs/dbraw/zinc/78/96/14/1072789614.db2.gz LZNOPYVUVUGQLW-UHFFFAOYSA-N 1 0 392.460 0.257 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000425741102 1072789586 /nfs/dbraw/zinc/78/95/86/1072789586.db2.gz MJXCYOVGSILBRG-UHFFFAOYSA-N 1 0 394.476 0.360 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000425741772 1072790309 /nfs/dbraw/zinc/79/03/09/1072790309.db2.gz NKNRLKTZTSWVAK-AWEZNQCLSA-N 1 0 392.460 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000425741773 1072790402 /nfs/dbraw/zinc/79/04/02/1072790402.db2.gz NKNRLKTZTSWVAK-CQSZACIVSA-N 1 0 392.460 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000425742809 1072791489 /nfs/dbraw/zinc/79/14/89/1072791489.db2.gz MSZZSFUPPFWLBD-GFCCVEGCSA-N 1 0 378.433 -0.087 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000425742812 1072791313 /nfs/dbraw/zinc/79/13/13/1072791313.db2.gz MSZZSFUPPFWLBD-LBPRGKRZSA-N 1 0 378.433 -0.087 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC000425744292 1072792226 /nfs/dbraw/zinc/79/22/26/1072792226.db2.gz QVVJCAPTUOALFA-CYBMUJFWSA-N 1 0 380.449 0.016 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000425744296 1072792003 /nfs/dbraw/zinc/79/20/03/1072792003.db2.gz QVVJCAPTUOALFA-ZDUSSCGKSA-N 1 0 380.449 0.016 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C[NH+](CC)CC)C2)n1 ZINC000425744321 1072792192 /nfs/dbraw/zinc/79/21/92/1072792192.db2.gz QXEGELHMQHWWDZ-CYBMUJFWSA-N 1 0 380.449 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)n1 ZINC000425744323 1072792363 /nfs/dbraw/zinc/79/23/63/1072792363.db2.gz QXEGELHMQHWWDZ-ZDUSSCGKSA-N 1 0 380.449 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000425745408 1072793099 /nfs/dbraw/zinc/79/30/99/1072793099.db2.gz QBNNPIAOQBIGDN-BETUJISGSA-N 1 0 380.449 0.159 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000425745986 1072793002 /nfs/dbraw/zinc/79/30/02/1072793002.db2.gz SYJOJIJRUDFGGB-AWEZNQCLSA-N 1 0 392.460 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000425745987 1072793306 /nfs/dbraw/zinc/79/33/06/1072793306.db2.gz SYJOJIJRUDFGGB-CQSZACIVSA-N 1 0 392.460 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000425746077 1072791938 /nfs/dbraw/zinc/79/19/38/1072791938.db2.gz TVFCRRBGERPMKM-UHFFFAOYSA-N 1 0 380.449 -0.030 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000425747262 1072794278 /nfs/dbraw/zinc/79/42/78/1072794278.db2.gz VNGZXXOPGDAOAS-CYBMUJFWSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000425747263 1072794134 /nfs/dbraw/zinc/79/41/34/1072794134.db2.gz VNGZXXOPGDAOAS-ZDUSSCGKSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000425747607 1072794081 /nfs/dbraw/zinc/79/40/81/1072794081.db2.gz UDGBUIJLGYJZGX-UHFFFAOYSA-N 1 0 380.449 0.160 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000425748115 1072794326 /nfs/dbraw/zinc/79/43/26/1072794326.db2.gz VRALPBLJPJXVKZ-UHFFFAOYSA-N 1 0 380.449 0.018 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000425748149 1072794026 /nfs/dbraw/zinc/79/40/26/1072794026.db2.gz UTYNMRSKUMVTER-AWEZNQCLSA-N 1 0 392.460 0.257 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000425748150 1072794186 /nfs/dbraw/zinc/79/41/86/1072794186.db2.gz UTYNMRSKUMVTER-CQSZACIVSA-N 1 0 392.460 0.257 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000425748553 1072794251 /nfs/dbraw/zinc/79/42/51/1072794251.db2.gz WDTDLNRUYSRFOG-UHFFFAOYSA-N 1 0 394.476 0.360 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000425748734 1072793955 /nfs/dbraw/zinc/79/39/55/1072793955.db2.gz WKXOHCXHIZYLTC-AWEZNQCLSA-N 1 0 392.460 0.114 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000425748736 1072794256 /nfs/dbraw/zinc/79/42/56/1072794256.db2.gz WKXOHCXHIZYLTC-CQSZACIVSA-N 1 0 392.460 0.114 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000425749667 1072794950 /nfs/dbraw/zinc/79/49/50/1072794950.db2.gz WVTSGAVCLDJAFX-CYBMUJFWSA-N 1 0 378.433 -0.134 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000425749670 1072794665 /nfs/dbraw/zinc/79/46/65/1072794665.db2.gz WVTSGAVCLDJAFX-ZDUSSCGKSA-N 1 0 378.433 -0.134 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)n1 ZINC000425749716 1072795135 /nfs/dbraw/zinc/79/51/35/1072795135.db2.gz XWWMHEKMXAIKFE-UHFFFAOYSA-N 1 0 380.449 0.018 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000425753832 1072794835 /nfs/dbraw/zinc/79/48/35/1072794835.db2.gz GZRRENIHYWRCLO-AWEZNQCLSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000425753834 1072795007 /nfs/dbraw/zinc/79/50/07/1072795007.db2.gz GZRRENIHYWRCLO-CQSZACIVSA-N 1 0 394.476 0.406 20 0 GBADRO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000425755902 1072796652 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C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425864825 1072837521 /nfs/dbraw/zinc/83/75/21/1072837521.db2.gz CBMXELWGQSOGRF-INIZCTEOSA-N 1 0 377.493 -0.416 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425864827 1072837180 /nfs/dbraw/zinc/83/71/80/1072837180.db2.gz CBMXELWGQSOGRF-MRXNPFEDSA-N 1 0 377.493 -0.416 20 0 GBADRO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)N1CCOCC1 ZINC000425864978 1072837610 /nfs/dbraw/zinc/83/76/10/1072837610.db2.gz OBPBCRNJKHIZCT-CVEARBPZSA-N 1 0 382.505 -0.166 20 0 GBADRO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1)N1CCOCC1 ZINC000425864979 1072837486 /nfs/dbraw/zinc/83/74/86/1072837486.db2.gz OBPBCRNJKHIZCT-HOTGVXAUSA-N 1 0 382.505 -0.166 20 0 GBADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)N1CCOCC1 ZINC000425864980 1072837429 /nfs/dbraw/zinc/83/74/29/1072837429.db2.gz OBPBCRNJKHIZCT-HZPDHXFCSA-N 1 0 382.505 -0.166 20 0 GBADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1)N1CCOCC1 ZINC000425864981 1072836900 /nfs/dbraw/zinc/83/69/00/1072836900.db2.gz OBPBCRNJKHIZCT-JKSUJKDBSA-N 1 0 382.505 -0.166 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425865341 1072836964 /nfs/dbraw/zinc/83/69/64/1072836964.db2.gz CYMHSKUHCIKDLM-DLBZAZTESA-N 1 0 391.520 -0.169 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425865344 1072837344 /nfs/dbraw/zinc/83/73/44/1072837344.db2.gz CYMHSKUHCIKDLM-IAGOWNOFSA-N 1 0 391.520 -0.169 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425865345 1072837272 /nfs/dbraw/zinc/83/72/72/1072837272.db2.gz CYMHSKUHCIKDLM-IRXDYDNUSA-N 1 0 391.520 -0.169 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425865347 1072836789 /nfs/dbraw/zinc/83/67/89/1072836789.db2.gz CYMHSKUHCIKDLM-SJORKVTESA-N 1 0 391.520 -0.169 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000425866494 1072835625 /nfs/dbraw/zinc/83/56/25/1072835625.db2.gz QMZVTEYXWMNTEO-AWEZNQCLSA-N 1 0 378.477 -0.510 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000425866498 1072835466 /nfs/dbraw/zinc/83/54/66/1072835466.db2.gz QMZVTEYXWMNTEO-CQSZACIVSA-N 1 0 378.477 -0.510 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425867541 1072835985 /nfs/dbraw/zinc/83/59/85/1072835985.db2.gz HGAUXHPAAMMHPO-KRWDZBQOSA-N 1 0 391.520 -0.025 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425867542 1072836149 /nfs/dbraw/zinc/83/61/49/1072836149.db2.gz HGAUXHPAAMMHPO-QGZVFWFLSA-N 1 0 391.520 -0.025 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000425868882 1072837572 /nfs/dbraw/zinc/83/75/72/1072837572.db2.gz JAUNJNMIBIQYII-UHFFFAOYSA-N 1 0 384.521 -0.216 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000425870260 1072839031 /nfs/dbraw/zinc/83/90/31/1072839031.db2.gz WBJQFKZNVMOHAB-UHFFFAOYSA-N 1 0 399.455 -0.435 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000425873456 1072838508 /nfs/dbraw/zinc/83/85/08/1072838508.db2.gz BBVKNJLHTCWGDP-CABCVRRESA-N 1 0 391.476 -0.855 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC000425873462 1072838695 /nfs/dbraw/zinc/83/86/95/1072838695.db2.gz BBVKNJLHTCWGDP-GJZGRUSLSA-N 1 0 391.476 -0.855 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000425873468 1072838315 /nfs/dbraw/zinc/83/83/15/1072838315.db2.gz BBVKNJLHTCWGDP-HUUCEWRRSA-N 1 0 391.476 -0.855 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC000425873472 1072838646 /nfs/dbraw/zinc/83/86/46/1072838646.db2.gz BBVKNJLHTCWGDP-LSDHHAIUSA-N 1 0 391.476 -0.855 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000425875267 1072837960 /nfs/dbraw/zinc/83/79/60/1072837960.db2.gz FCFXVVUVOLQPBI-UHFFFAOYSA-N 1 0 399.455 -0.435 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000425875397 1072839454 /nfs/dbraw/zinc/83/94/54/1072839454.db2.gz TYVUYLBAGDLWHV-UHFFFAOYSA-N 1 0 399.455 -0.435 20 0 GBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(C)(C)COC)CC2)CC1 ZINC000425876242 1072841707 /nfs/dbraw/zinc/84/17/07/1072841707.db2.gz UVKNNIMXLQYWFM-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000425877726 1072840269 /nfs/dbraw/zinc/84/02/69/1072840269.db2.gz HDPDLGVFSCCYJB-UHFFFAOYSA-N 1 0 384.521 -0.624 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425878562 1072840489 /nfs/dbraw/zinc/84/04/89/1072840489.db2.gz AAOFURYAAOAVSZ-BBWFWOEESA-N 1 0 390.488 -0.064 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425878568 1072839956 /nfs/dbraw/zinc/83/99/56/1072839956.db2.gz AAOFURYAAOAVSZ-BRWVUGGUSA-N 1 0 390.488 -0.064 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425878570 1072840369 /nfs/dbraw/zinc/84/03/69/1072840369.db2.gz AAOFURYAAOAVSZ-GVDBMIGSSA-N 1 0 390.488 -0.064 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425878572 1072840313 /nfs/dbraw/zinc/84/03/13/1072840313.db2.gz AAOFURYAAOAVSZ-ZACQAIPSSA-N 1 0 390.488 -0.064 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000425879972 1072840509 /nfs/dbraw/zinc/84/05/09/1072840509.db2.gz JKAPQOWGCZYRRN-UHFFFAOYSA-N 1 0 377.445 -0.137 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000425884055 1072841964 /nfs/dbraw/zinc/84/19/64/1072841964.db2.gz FYRSRBPSGODHGC-HUUCEWRRSA-N 1 0 391.472 -0.015 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000425884057 1072842080 /nfs/dbraw/zinc/84/20/80/1072842080.db2.gz FYRSRBPSGODHGC-LSDHHAIUSA-N 1 0 391.472 -0.015 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000425885140 1072842012 /nfs/dbraw/zinc/84/20/12/1072842012.db2.gz HJZOHIKZKJFWEL-INIZCTEOSA-N 1 0 399.451 -0.016 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000425885142 1072842624 /nfs/dbraw/zinc/84/26/24/1072842624.db2.gz HJZOHIKZKJFWEL-MRXNPFEDSA-N 1 0 399.451 -0.016 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000425886978 1072844644 /nfs/dbraw/zinc/84/46/44/1072844644.db2.gz AECXLPBHIGWUQY-UHFFFAOYSA-N 1 0 390.488 -0.413 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1(C)C ZINC000425887562 1072846317 /nfs/dbraw/zinc/84/63/17/1072846317.db2.gz NXUBRDLGIDTFDM-HNNXBMFYSA-N 1 0 377.493 -0.416 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1(C)C ZINC000425887564 1072846085 /nfs/dbraw/zinc/84/60/85/1072846085.db2.gz NXUBRDLGIDTFDM-OAHLLOKOSA-N 1 0 377.493 -0.416 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)n1 ZINC000425888613 1072843190 /nfs/dbraw/zinc/84/31/90/1072843190.db2.gz DRUIPEWZSDCVKH-AWEZNQCLSA-N 1 0 377.445 -0.329 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)n1 ZINC000425888616 1072843656 /nfs/dbraw/zinc/84/36/56/1072843656.db2.gz DRUIPEWZSDCVKH-CQSZACIVSA-N 1 0 377.445 -0.329 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000425888933 1072843627 /nfs/dbraw/zinc/84/36/27/1072843627.db2.gz MAGVXAKNKPLSKA-UHFFFAOYSA-N 1 0 388.428 -0.247 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000425889369 1072843149 /nfs/dbraw/zinc/84/31/49/1072843149.db2.gz FVVSCZASGBTTQD-UHFFFAOYSA-N 1 0 377.445 -0.328 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000425891836 1072846578 /nfs/dbraw/zinc/84/65/78/1072846578.db2.gz YZMNCGQBJBVDBC-CYBMUJFWSA-N 1 0 392.460 -0.840 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000425891837 1072846260 /nfs/dbraw/zinc/84/62/60/1072846260.db2.gz YZMNCGQBJBVDBC-ZDUSSCGKSA-N 1 0 392.460 -0.840 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425892052 1072845923 /nfs/dbraw/zinc/84/59/23/1072845923.db2.gz ZNZVOHFDYMCIEA-INIZCTEOSA-N 1 0 384.521 -0.217 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425892057 1073034876 /nfs/dbraw/zinc/03/48/76/1073034876.db2.gz ZNZVOHFDYMCIEA-MRXNPFEDSA-N 1 0 384.521 -0.217 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000425897150 1073081454 /nfs/dbraw/zinc/08/14/54/1073081454.db2.gz INZOTOCVKHBCLM-UHFFFAOYSA-N 1 0 378.477 -0.414 20 0 GBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3nccc(OC)n3)CC2)c1 ZINC000425897345 1072846200 /nfs/dbraw/zinc/84/62/00/1072846200.db2.gz JDCWUYRMMVZYJF-UHFFFAOYSA-N 1 0 386.412 -0.146 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000425898389 1072848913 /nfs/dbraw/zinc/84/89/13/1072848913.db2.gz LXJCRFBDAMCBBS-HNNXBMFYSA-N 1 0 390.488 -0.270 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000425898390 1072848593 /nfs/dbraw/zinc/84/85/93/1072848593.db2.gz LXJCRFBDAMCBBS-OAHLLOKOSA-N 1 0 390.488 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CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C1 ZINC000425899143 1072848968 /nfs/dbraw/zinc/84/89/68/1072848968.db2.gz BUHOGBPLUXSANC-HOTGVXAUSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C1 ZINC000425899144 1072848517 /nfs/dbraw/zinc/84/85/17/1072848517.db2.gz BUHOGBPLUXSANC-HZPDHXFCSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C1 ZINC000425899145 1073086749 /nfs/dbraw/zinc/08/67/49/1073086749.db2.gz BUHOGBPLUXSANC-JKSUJKDBSA-N 1 0 382.505 -0.070 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000425900126 1072848352 /nfs/dbraw/zinc/84/83/52/1072848352.db2.gz PZQWWKCKIQGUHW-CYBMUJFWSA-N 1 0 377.445 -0.187 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000425900131 1072848537 /nfs/dbraw/zinc/84/85/37/1072848537.db2.gz PZQWWKCKIQGUHW-ZDUSSCGKSA-N 1 0 377.445 -0.187 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1 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389.478 -0.496 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000426085682 1072898523 /nfs/dbraw/zinc/89/85/23/1072898523.db2.gz QHQCTTSPRZDGRH-CABCVRRESA-N 1 0 378.477 0.471 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000426085683 1072898323 /nfs/dbraw/zinc/89/83/23/1072898323.db2.gz QHQCTTSPRZDGRH-GJZGRUSLSA-N 1 0 378.477 0.471 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000426085684 1072898381 /nfs/dbraw/zinc/89/83/81/1072898381.db2.gz QHQCTTSPRZDGRH-HUUCEWRRSA-N 1 0 378.477 0.471 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000426085685 1072898205 /nfs/dbraw/zinc/89/82/05/1072898205.db2.gz QHQCTTSPRZDGRH-LSDHHAIUSA-N 1 0 378.477 0.471 20 0 GBADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000426149954 1072910661 /nfs/dbraw/zinc/91/06/61/1072910661.db2.gz RWTSYYKPMAVTIJ-UHFFFAOYSA-N 1 0 381.477 -0.569 20 0 GBADRO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 ZINC000426150867 530374665 /nfs/dbraw/zinc/37/46/65/530374665.db2.gz TWEJKHYXCMUSDU-JTQLQIEISA-N 1 0 383.396 -0.301 20 0 GBADRO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 ZINC000426150868 530374963 /nfs/dbraw/zinc/37/49/63/530374963.db2.gz TWEJKHYXCMUSDU-SNVBAGLBSA-N 1 0 383.396 -0.301 20 0 GBADRO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426155925 530374912 /nfs/dbraw/zinc/37/49/12/530374912.db2.gz CHWICXNSIFTEEM-LLVKDONJSA-N 1 0 375.413 -0.057 20 0 GBADRO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426155926 530374761 /nfs/dbraw/zinc/37/47/61/530374761.db2.gz CHWICXNSIFTEEM-NSHDSACASA-N 1 0 375.413 -0.057 20 0 GBADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000426156483 1072911569 /nfs/dbraw/zinc/91/15/69/1072911569.db2.gz JJPOHEOFIHTGKT-UHFFFAOYSA-N 1 0 389.566 -0.222 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1CC(C)(C)O ZINC000426177890 1072912658 /nfs/dbraw/zinc/91/26/58/1072912658.db2.gz IOKZDRLTARZXFH-GFCCVEGCSA-N 1 0 398.485 -0.424 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1CC(C)(C)O ZINC000426177891 1072912834 /nfs/dbraw/zinc/91/28/34/1072912834.db2.gz IOKZDRLTARZXFH-LBPRGKRZSA-N 1 0 398.485 -0.424 20 0 GBADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426198643 1072423700 /nfs/dbraw/zinc/42/37/00/1072423700.db2.gz LDHXRMXBCQDFCM-IAGOWNOFSA-N 1 0 382.505 -0.775 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000426290250 1072933937 /nfs/dbraw/zinc/93/39/37/1072933937.db2.gz OIFLZYYQMYEBKA-HNNXBMFYSA-N 1 0 396.536 -0.480 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000426290251 1072934432 /nfs/dbraw/zinc/93/44/32/1072934432.db2.gz OIFLZYYQMYEBKA-OAHLLOKOSA-N 1 0 396.536 -0.480 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000426301062 1072934499 /nfs/dbraw/zinc/93/44/99/1072934499.db2.gz LBDNUYLNUSFKCN-UHFFFAOYSA-N 1 0 398.485 -0.158 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000426305679 1072935372 /nfs/dbraw/zinc/93/53/72/1072935372.db2.gz HRAWDCNNBRRZBG-CYBMUJFWSA-N 1 0 396.469 -0.547 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000426305680 1072935035 /nfs/dbraw/zinc/93/50/35/1072935035.db2.gz HRAWDCNNBRRZBG-ZDUSSCGKSA-N 1 0 396.469 -0.547 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000426321284 1072937699 /nfs/dbraw/zinc/93/76/99/1072937699.db2.gz COAQBIFNSLPPNY-UHFFFAOYSA-N 1 0 396.536 -0.480 20 0 GBADRO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000426454567 1072428366 /nfs/dbraw/zinc/42/83/66/1072428366.db2.gz QQJBBGFRPPYDCZ-FQEVSTJZSA-N 1 0 396.532 -0.526 20 0 GBADRO CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000426454568 1072428120 /nfs/dbraw/zinc/42/81/20/1072428120.db2.gz QQJBBGFRPPYDCZ-HXUWFJFHSA-N 1 0 396.532 -0.526 20 0 GBADRO C[C@@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000426460297 1072962556 /nfs/dbraw/zinc/96/25/56/1072962556.db2.gz MZDIRWDBKSYKML-CYBMUJFWSA-N 1 0 380.474 -0.436 20 0 GBADRO C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000426460299 1072962469 /nfs/dbraw/zinc/96/24/69/1072962469.db2.gz MZDIRWDBKSYKML-ZDUSSCGKSA-N 1 0 380.474 -0.436 20 0 GBADRO C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCN1CCO ZINC000426471904 1072964355 /nfs/dbraw/zinc/96/43/55/1072964355.db2.gz XNPZZCZHRDPMIJ-AWEZNQCLSA-N 1 0 384.502 -0.126 20 0 GBADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCN1CCO ZINC000426471908 1072964145 /nfs/dbraw/zinc/96/41/45/1072964145.db2.gz XNPZZCZHRDPMIJ-CQSZACIVSA-N 1 0 384.502 -0.126 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCS1 ZINC000426479898 1072966058 /nfs/dbraw/zinc/96/60/58/1072966058.db2.gz NTNVMWFZQNSUQR-CYBMUJFWSA-N 1 0 396.517 -0.147 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCS1 ZINC000426479899 1072965947 /nfs/dbraw/zinc/96/59/47/1072965947.db2.gz NTNVMWFZQNSUQR-ZDUSSCGKSA-N 1 0 396.517 -0.147 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000426484857 1072966782 /nfs/dbraw/zinc/96/67/82/1072966782.db2.gz VBWKQYLKWLLCHL-DLBZAZTESA-N 1 0 381.521 -0.171 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000426484860 1072966750 /nfs/dbraw/zinc/96/67/50/1072966750.db2.gz VBWKQYLKWLLCHL-IAGOWNOFSA-N 1 0 381.521 -0.171 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000426484861 1072967497 /nfs/dbraw/zinc/96/74/97/1072967497.db2.gz VBWKQYLKWLLCHL-IRXDYDNUSA-N 1 0 381.521 -0.171 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000426484862 1072967482 /nfs/dbraw/zinc/96/74/82/1072967482.db2.gz VBWKQYLKWLLCHL-SJORKVTESA-N 1 0 381.521 -0.171 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)CN2CCN(CCO)[C@@H](C)C2)ccc1C ZINC000426494185 1072970205 /nfs/dbraw/zinc/97/02/05/1072970205.db2.gz ZDCPVCZZZLYPQK-AWEZNQCLSA-N 1 0 384.502 -0.160 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)CN2CCN(CCO)[C@H](C)C2)ccc1C ZINC000426494186 1072969913 /nfs/dbraw/zinc/96/99/13/1072969913.db2.gz ZDCPVCZZZLYPQK-CQSZACIVSA-N 1 0 384.502 -0.160 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccn([C@H](C)COC)n3)C2)CC1 ZINC000426550917 1072983672 /nfs/dbraw/zinc/98/36/72/1072983672.db2.gz YKBUVLXISUCLGP-CVEARBPZSA-N 1 0 392.504 0.267 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccn([C@H](C)COC)n3)C2)CC1 ZINC000426550919 1072983898 /nfs/dbraw/zinc/98/38/98/1072983898.db2.gz YKBUVLXISUCLGP-HZPDHXFCSA-N 1 0 392.504 0.267 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N(CCO)Cc2cccc(F)c2)n1 ZINC000426555824 1072983381 /nfs/dbraw/zinc/98/33/81/1072983381.db2.gz MSINOMSAPZDIPY-UHFFFAOYSA-N 1 0 377.420 0.543 20 0 GBADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000426556560 1072984544 /nfs/dbraw/zinc/98/45/44/1072984544.db2.gz BNSJMRJTSGJDEH-AOIWGVFYSA-N 1 0 384.521 -0.253 20 0 GBADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000426556561 1072984644 /nfs/dbraw/zinc/98/46/44/1072984644.db2.gz BNSJMRJTSGJDEH-LMMKCTJWSA-N 1 0 384.521 -0.253 20 0 GBADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000426556563 1072984587 /nfs/dbraw/zinc/98/45/87/1072984587.db2.gz BNSJMRJTSGJDEH-LNLFQRSKSA-N 1 0 384.521 -0.253 20 0 GBADRO C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000426556565 1072984573 /nfs/dbraw/zinc/98/45/73/1072984573.db2.gz BNSJMRJTSGJDEH-SCTDSRPQSA-N 1 0 384.521 -0.253 20 0 GBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000426562768 1072986109 /nfs/dbraw/zinc/98/61/09/1072986109.db2.gz VNQMEQLVASDXIL-CABCVRRESA-N 1 0 381.477 0.238 20 0 GBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000426562769 1072987240 /nfs/dbraw/zinc/98/72/40/1072987240.db2.gz VNQMEQLVASDXIL-GJZGRUSLSA-N 1 0 381.477 0.238 20 0 GBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000426562770 1072986088 /nfs/dbraw/zinc/98/60/88/1072986088.db2.gz VNQMEQLVASDXIL-HUUCEWRRSA-N 1 0 381.477 0.238 20 0 GBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000426562771 1072986883 /nfs/dbraw/zinc/98/68/83/1072986883.db2.gz VNQMEQLVASDXIL-LSDHHAIUSA-N 1 0 381.477 0.238 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000426660154 1073021306 /nfs/dbraw/zinc/02/13/06/1073021306.db2.gz MCTKWAPACVIZGF-HZPDHXFCSA-N 1 0 394.520 0.419 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000426660155 1073021837 /nfs/dbraw/zinc/02/18/37/1073021837.db2.gz MCTKWAPACVIZGF-JKSUJKDBSA-N 1 0 394.520 0.419 20 0 GBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000426662271 1073023843 /nfs/dbraw/zinc/02/38/43/1073023843.db2.gz FYTOQCUWODLPTE-INIZCTEOSA-N 1 0 392.504 0.269 20 0 GBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000426662273 1073023665 /nfs/dbraw/zinc/02/36/65/1073023665.db2.gz FYTOQCUWODLPTE-MRXNPFEDSA-N 1 0 392.504 0.269 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(Cn3cncn3)CC2)CC1 ZINC000426743626 1073039628 /nfs/dbraw/zinc/03/96/28/1073039628.db2.gz UUKVBQNKDOFJFT-UHFFFAOYSA-N 1 0 377.493 -0.778 20 0 GBADRO CC(C)(O)C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000426761993 1072435328 /nfs/dbraw/zinc/43/53/28/1072435328.db2.gz GDUKLTTWUGJCPH-UHFFFAOYSA-N 1 0 382.505 -0.775 20 0 GBADRO COC(=O)CNC(=O)CC[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000426821784 1073041729 /nfs/dbraw/zinc/04/17/29/1073041729.db2.gz WQOFNCCFPAILGY-CYBMUJFWSA-N 1 0 383.449 -0.036 20 0 GBADRO COC(=O)CNC(=O)CC[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000426821785 1073041768 /nfs/dbraw/zinc/04/17/68/1073041768.db2.gz WQOFNCCFPAILGY-ZDUSSCGKSA-N 1 0 383.449 -0.036 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC3(C2)CCCC3)cn1 ZINC000426840372 1073041637 /nfs/dbraw/zinc/04/16/37/1073041637.db2.gz NFCXRPLDZKRAEV-UHFFFAOYSA-N 1 0 376.461 -0.098 20 0 GBADRO Cn1c(=O)ccn(CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1=O ZINC000426886444 1073044219 /nfs/dbraw/zinc/04/42/19/1073044219.db2.gz MEGNKMYFCKUZHR-AWEZNQCLSA-N 1 0 376.413 -0.513 20 0 GBADRO Cn1c(=O)ccn(CC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1=O ZINC000426886445 1073044385 /nfs/dbraw/zinc/04/43/85/1073044385.db2.gz MEGNKMYFCKUZHR-CQSZACIVSA-N 1 0 376.413 -0.513 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C1=O ZINC000426889749 1073043816 /nfs/dbraw/zinc/04/38/16/1073043816.db2.gz HLOKSDVFKKEGSY-GFCCVEGCSA-N 1 0 378.385 -0.653 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1=O ZINC000426889753 1073043519 /nfs/dbraw/zinc/04/35/19/1073043519.db2.gz HLOKSDVFKKEGSY-LBPRGKRZSA-N 1 0 378.385 -0.653 20 0 GBADRO CCN1CCN(CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C(=O)C1=O ZINC000426894286 1073045147 /nfs/dbraw/zinc/04/51/47/1073045147.db2.gz BBJZDGBJSWNRIU-HNNXBMFYSA-N 1 0 392.456 -0.383 20 0 GBADRO CCN1CCN(CC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)C(=O)C1=O ZINC000426894287 1073044976 /nfs/dbraw/zinc/04/49/76/1073044976.db2.gz BBJZDGBJSWNRIU-OAHLLOKOSA-N 1 0 392.456 -0.383 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000426896490 1073045584 /nfs/dbraw/zinc/04/55/84/1073045584.db2.gz XJPJNXVNDSDSHZ-UHFFFAOYSA-N 1 0 380.497 -0.020 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(CC(=O)NCCO)cc2)CC1=O ZINC000426898109 1073045653 /nfs/dbraw/zinc/04/56/53/1073045653.db2.gz SBPHWZUDYTWNKG-HNNXBMFYSA-N 1 0 376.457 -0.314 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(CC(=O)NCCO)cc2)CC1=O ZINC000426898111 1073045500 /nfs/dbraw/zinc/04/55/00/1073045500.db2.gz SBPHWZUDYTWNKG-OAHLLOKOSA-N 1 0 376.457 -0.314 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)nn1 ZINC000426898717 1073044603 /nfs/dbraw/zinc/04/46/03/1073044603.db2.gz WSTXTAUAMSXXDQ-AWEZNQCLSA-N 1 0 390.444 -0.080 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)nn1 ZINC000426898721 1073045598 /nfs/dbraw/zinc/04/55/98/1073045598.db2.gz WSTXTAUAMSXXDQ-CQSZACIVSA-N 1 0 390.444 -0.080 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1(C(N)=O)CC1 ZINC000426921317 1073046216 /nfs/dbraw/zinc/04/62/16/1073046216.db2.gz OXPNJNHVLOEPBB-UHFFFAOYSA-N 1 0 382.486 -0.027 20 0 GBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)n1 ZINC000426948793 1073046759 /nfs/dbraw/zinc/04/67/59/1073046759.db2.gz PSVMVICHYAODKF-KBPBESRZSA-N 1 0 395.460 0.125 20 0 GBADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)n1 ZINC000426948794 1073047151 /nfs/dbraw/zinc/04/71/51/1073047151.db2.gz PSVMVICHYAODKF-KGLIPLIRSA-N 1 0 395.460 0.125 20 0 GBADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)n1 ZINC000426948795 1073046920 /nfs/dbraw/zinc/04/69/20/1073046920.db2.gz PSVMVICHYAODKF-UONOGXRCSA-N 1 0 395.460 0.125 20 0 GBADRO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000426958020 1073046886 /nfs/dbraw/zinc/04/68/86/1073046886.db2.gz ZZKCRPDTBRMGOH-JTQLQIEISA-N 1 0 375.376 -0.125 20 0 GBADRO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000426958025 1073047236 /nfs/dbraw/zinc/04/72/36/1073047236.db2.gz ZZKCRPDTBRMGOH-SNVBAGLBSA-N 1 0 375.376 -0.125 20 0 GBADRO Cn1nc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cc1OC(F)F ZINC000426959300 1073046989 /nfs/dbraw/zinc/04/69/89/1073046989.db2.gz IFDPYRMSNMBRMC-UHFFFAOYSA-N 1 0 375.376 -0.125 20 0 GBADRO Cc1nc(Cn2cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)nn2)no1 ZINC000426967985 1073047973 /nfs/dbraw/zinc/04/79/73/1073047973.db2.gz HQLMCVHAZWMXOE-ZDUSSCGKSA-N 1 0 392.464 -0.160 20 0 GBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc21 ZINC000426970311 1073048065 /nfs/dbraw/zinc/04/80/65/1073048065.db2.gz DCKFTJKMZYCWQT-IBGZPJMESA-N 1 0 392.456 -0.411 20 0 GBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000426970312 1073047797 /nfs/dbraw/zinc/04/77/97/1073047797.db2.gz DCKFTJKMZYCWQT-LJQANCHMSA-N 1 0 392.456 -0.411 20 0 GBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000426977204 1073049679 /nfs/dbraw/zinc/04/96/79/1073049679.db2.gz IXBPRENWWVQLCS-IBGZPJMESA-N 1 0 390.440 -0.657 20 0 GBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)ccc21 ZINC000426977205 1073049827 /nfs/dbraw/zinc/04/98/27/1073049827.db2.gz IXBPRENWWVQLCS-LJQANCHMSA-N 1 0 390.440 -0.657 20 0 GBADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)n2)cc1 ZINC000426977641 1073049468 /nfs/dbraw/zinc/04/94/68/1073049468.db2.gz MCFDYRRUWXRPSW-LJQANCHMSA-N 1 0 387.440 0.061 20 0 GBADRO CCOc1cc2c(cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1)OCCO2 ZINC000426979033 1073049439 /nfs/dbraw/zinc/04/94/39/1073049439.db2.gz XYMCVTUZABDJQC-GOSISDBHSA-N 1 0 379.413 -0.022 20 0 GBADRO CCOc1cc2c(cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1)OCCO2 ZINC000426979034 1073049239 /nfs/dbraw/zinc/04/92/39/1073049239.db2.gz XYMCVTUZABDJQC-SFHVURJKSA-N 1 0 379.413 -0.022 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)n2)CC1 ZINC000427005254 1073050763 /nfs/dbraw/zinc/05/07/63/1073050763.db2.gz QCLAHQDYFULYEZ-UHFFFAOYSA-N 1 0 398.471 0.227 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H](OCCO)C3)n2)CC1 ZINC000427068819 1073052155 /nfs/dbraw/zinc/05/21/55/1073052155.db2.gz DLCOSNUZYAOVHT-HNNXBMFYSA-N 1 0 379.461 0.088 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H](OCCO)C3)n2)CC1 ZINC000427068820 1073052094 /nfs/dbraw/zinc/05/20/94/1073052094.db2.gz DLCOSNUZYAOVHT-OAHLLOKOSA-N 1 0 379.461 0.088 20 0 GBADRO Cn1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2ccc1=O ZINC000427086303 1073052846 /nfs/dbraw/zinc/05/28/46/1073052846.db2.gz JFONNZDWFPKVBS-HNNXBMFYSA-N 1 0 399.451 -0.067 20 0 GBADRO Cn1c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2ccc1=O ZINC000427086304 1073053113 /nfs/dbraw/zinc/05/31/13/1073053113.db2.gz JFONNZDWFPKVBS-OAHLLOKOSA-N 1 0 399.451 -0.067 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)CN1CCOCC1 ZINC000427099304 1073054351 /nfs/dbraw/zinc/05/43/51/1073054351.db2.gz HEXLZCSPMVBVAR-HNNXBMFYSA-N 1 0 392.504 0.173 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)CN1CCOCC1 ZINC000427099305 1073054135 /nfs/dbraw/zinc/05/41/35/1073054135.db2.gz HEXLZCSPMVBVAR-OAHLLOKOSA-N 1 0 392.504 0.173 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCN3CCSCC3)n2)CC1 ZINC000427104129 1073054218 /nfs/dbraw/zinc/05/42/18/1073054218.db2.gz MCMAMRIMDAHAFL-UHFFFAOYSA-N 1 0 380.518 0.253 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)n2)CC1 ZINC000427110875 1073055176 /nfs/dbraw/zinc/05/51/76/1073055176.db2.gz XFPBYIFRLFPMEV-UHFFFAOYSA-N 1 0 398.471 0.227 20 0 GBADRO Cn1nnc(CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000427136607 1073055094 /nfs/dbraw/zinc/05/50/94/1073055094.db2.gz LFSWEIHUYYPHLW-UHFFFAOYSA-N 1 0 380.497 -0.164 20 0 GBADRO CSC1(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC[NH+](C)CC1 ZINC000427151282 530100747 /nfs/dbraw/zinc/10/07/47/530100747.db2.gz CQNDRDCCBDTPKH-UHFFFAOYSA-N 1 0 378.564 -0.493 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cn1 ZINC000427158959 1073056908 /nfs/dbraw/zinc/05/69/08/1073056908.db2.gz ANTBJXUKBBGWEE-HNNXBMFYSA-N 1 0 399.517 -0.198 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cn1 ZINC000427158960 1073056626 /nfs/dbraw/zinc/05/66/26/1073056626.db2.gz ANTBJXUKBBGWEE-OAHLLOKOSA-N 1 0 399.517 -0.198 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)n2)CC1 ZINC000427217458 1073059924 /nfs/dbraw/zinc/05/99/24/1073059924.db2.gz RDQIBAPMXBTIRT-CQSZACIVSA-N 1 0 381.502 0.415 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427227550 1073059290 /nfs/dbraw/zinc/05/92/90/1073059290.db2.gz YXCNBXDXPIJRPQ-OAHLLOKOSA-N 1 0 390.488 0.558 20 0 GBADRO CCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1=O ZINC000427256394 1073062433 /nfs/dbraw/zinc/06/24/33/1073062433.db2.gz JTPLGVQNZLUPDK-CYBMUJFWSA-N 1 0 376.461 0.168 20 0 GBADRO CCN1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1=O ZINC000427256395 1073062173 /nfs/dbraw/zinc/06/21/73/1073062173.db2.gz JTPLGVQNZLUPDK-ZDUSSCGKSA-N 1 0 376.461 0.168 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000427259892 1073062828 /nfs/dbraw/zinc/06/28/28/1073062828.db2.gz IXMJSYGICSECHL-CYBMUJFWSA-N 1 0 376.461 0.168 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000427259893 1073062983 /nfs/dbraw/zinc/06/29/83/1073062983.db2.gz IXMJSYGICSECHL-ZDUSSCGKSA-N 1 0 376.461 0.168 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1N1CCNC1=O ZINC000427274004 1073063909 /nfs/dbraw/zinc/06/39/09/1073063909.db2.gz OBCYOXSKECOJRY-GOSISDBHSA-N 1 0 377.445 -0.108 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1N1CCNC1=O ZINC000427274005 1073063762 /nfs/dbraw/zinc/06/37/62/1073063762.db2.gz OBCYOXSKECOJRY-SFHVURJKSA-N 1 0 377.445 -0.108 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1N1CCNC1=O ZINC000427275292 1073064327 /nfs/dbraw/zinc/06/43/27/1073064327.db2.gz SOQFMSZMXXKGCT-GOSISDBHSA-N 1 0 377.445 -0.108 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1N1CCNC1=O ZINC000427275293 1073063784 /nfs/dbraw/zinc/06/37/84/1073063784.db2.gz SOQFMSZMXXKGCT-SFHVURJKSA-N 1 0 377.445 -0.108 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000427275990 1073064097 /nfs/dbraw/zinc/06/40/97/1073064097.db2.gz RLFHUQKJKDNRRH-UHFFFAOYSA-N 1 0 377.445 -0.106 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000427276358 1073064034 /nfs/dbraw/zinc/06/40/34/1073064034.db2.gz UCPPMTMGCQATAJ-UHFFFAOYSA-N 1 0 377.445 -0.106 20 0 GBADRO CCOC(=O)C1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427292198 1073065127 /nfs/dbraw/zinc/06/51/27/1073065127.db2.gz NYRSDWWVVOKWEW-UHFFFAOYSA-N 1 0 377.445 0.548 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1CCO ZINC000427293296 1073064602 /nfs/dbraw/zinc/06/46/02/1073064602.db2.gz ZWKWBFUOIIXKMP-AWEZNQCLSA-N 1 0 378.477 -0.387 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1CCO ZINC000427293297 1073064961 /nfs/dbraw/zinc/06/49/61/1073064961.db2.gz ZWKWBFUOIIXKMP-CQSZACIVSA-N 1 0 378.477 -0.387 20 0 GBADRO O=C(C[C@@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000427301381 1073064941 /nfs/dbraw/zinc/06/49/41/1073064941.db2.gz JGDVJPAARZBHRL-HNNXBMFYSA-N 1 0 381.502 -0.351 20 0 GBADRO O=C(C[C@H]1CC[NH2+]C1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000427301384 1073065072 /nfs/dbraw/zinc/06/50/72/1073065072.db2.gz JGDVJPAARZBHRL-OAHLLOKOSA-N 1 0 381.502 -0.351 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)O2)cn1 ZINC000427301604 1073065000 /nfs/dbraw/zinc/06/50/00/1073065000.db2.gz KNEUGWGAGLLYSV-AWEZNQCLSA-N 1 0 394.476 -0.427 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)O2)cn1 ZINC000427301605 1073064892 /nfs/dbraw/zinc/06/48/92/1073064892.db2.gz KNEUGWGAGLLYSV-CQSZACIVSA-N 1 0 394.476 -0.427 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)n2)CC1 ZINC000427308577 1073065904 /nfs/dbraw/zinc/06/59/04/1073065904.db2.gz OLABMGZEJKGEGJ-HNNXBMFYSA-N 1 0 376.461 -0.369 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)n2)CC1 ZINC000427308578 1073065649 /nfs/dbraw/zinc/06/56/49/1073065649.db2.gz OLABMGZEJKGEGJ-OAHLLOKOSA-N 1 0 376.461 -0.369 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H]1C ZINC000427351912 1073066884 /nfs/dbraw/zinc/06/68/84/1073066884.db2.gz JBQUSTBKXDGYGD-GXTWGEPZSA-N 1 0 377.445 0.498 20 0 GBADRO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H]1C ZINC000427351913 1073066946 /nfs/dbraw/zinc/06/69/46/1073066946.db2.gz JBQUSTBKXDGYGD-JSGCOSHPSA-N 1 0 377.445 0.498 20 0 GBADRO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H]1C ZINC000427351915 1073067090 /nfs/dbraw/zinc/06/70/90/1073067090.db2.gz JBQUSTBKXDGYGD-TZMCWYRMSA-N 1 0 377.445 0.498 20 0 GBADRO O=C(C[C@H]1CCC[NH2+]CC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000427359394 1073066965 /nfs/dbraw/zinc/06/69/65/1073066965.db2.gz VMLDNWOVALIHKD-HNNXBMFYSA-N 1 0 388.534 -0.076 20 0 GBADRO O=C(C[C@@H]1CCC[NH2+]CC1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000427359395 1073066856 /nfs/dbraw/zinc/06/68/56/1073066856.db2.gz VMLDNWOVALIHKD-OAHLLOKOSA-N 1 0 388.534 -0.076 20 0 GBADRO CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427384068 1073069180 /nfs/dbraw/zinc/06/91/80/1073069180.db2.gz MOZILLCXGDWSHY-HNNXBMFYSA-N 1 0 381.477 0.333 20 0 GBADRO CCN1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1=O ZINC000427408504 1073069916 /nfs/dbraw/zinc/06/99/16/1073069916.db2.gz PBRCQMQTFCHXFX-UHFFFAOYSA-N 1 0 376.461 0.169 20 0 GBADRO CC[N@H+](CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC000427409861 530108234 /nfs/dbraw/zinc/10/82/34/530108234.db2.gz XKTZMIIWOKENGN-UHFFFAOYSA-N 1 0 388.456 -0.046 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3CCC[C@H]32)cn1 ZINC000427417241 1073069598 /nfs/dbraw/zinc/06/95/98/1073069598.db2.gz ZILFVBSPMNJYRS-DZGCQCFKSA-N 1 0 376.461 -0.100 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3CCC[C@@H]32)cn1 ZINC000427417242 1073069026 /nfs/dbraw/zinc/06/90/26/1073069026.db2.gz ZILFVBSPMNJYRS-HIFRSBDPSA-N 1 0 376.461 -0.100 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3CCC[C@H]32)cn1 ZINC000427417243 1073069393 /nfs/dbraw/zinc/06/93/93/1073069393.db2.gz ZILFVBSPMNJYRS-UKRRQHHQSA-N 1 0 376.461 -0.100 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000427417244 1073069417 /nfs/dbraw/zinc/06/94/17/1073069417.db2.gz ZILFVBSPMNJYRS-ZFWWWQNUSA-N 1 0 376.461 -0.100 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1=O ZINC000427417750 1073069271 /nfs/dbraw/zinc/06/92/71/1073069271.db2.gz ZMZZSGNJMVRTMU-UHFFFAOYSA-N 1 0 390.488 0.559 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1S(N)(=O)=O ZINC000427419906 1073071284 /nfs/dbraw/zinc/07/12/84/1073071284.db2.gz HMUCJCYYUWOLNW-GFCCVEGCSA-N 1 0 398.485 -0.640 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000427419908 1073071980 /nfs/dbraw/zinc/07/19/80/1073071980.db2.gz HMUCJCYYUWOLNW-LBPRGKRZSA-N 1 0 398.485 -0.640 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCN1CCO ZINC000427420511 1073072034 /nfs/dbraw/zinc/07/20/34/1073072034.db2.gz KXNQSJOEBMOWNS-GFCCVEGCSA-N 1 0 376.413 -0.495 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCN1CCO ZINC000427420512 1073071841 /nfs/dbraw/zinc/07/18/41/1073071841.db2.gz KXNQSJOEBMOWNS-LBPRGKRZSA-N 1 0 376.413 -0.495 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CCN1CCO ZINC000427427652 1073071893 /nfs/dbraw/zinc/07/18/93/1073071893.db2.gz JVYFMAYKBGSQET-INIZCTEOSA-N 1 0 390.484 -0.018 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CCN1CCO ZINC000427427712 1073071598 /nfs/dbraw/zinc/07/15/98/1073071598.db2.gz JVYFMAYKBGSQET-MRXNPFEDSA-N 1 0 390.484 -0.018 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CCN1CCO ZINC000427433487 1073071924 /nfs/dbraw/zinc/07/19/24/1073071924.db2.gz DQDXCXNBKOPKPZ-CYBMUJFWSA-N 1 0 398.485 -0.801 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1NS(C)(=O)=O ZINC000427444196 1073071352 /nfs/dbraw/zinc/07/13/52/1073071352.db2.gz YYRINMBUIGJSRM-CYBMUJFWSA-N 1 0 398.485 -0.170 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000427444197 1073071534 /nfs/dbraw/zinc/07/15/34/1073071534.db2.gz YYRINMBUIGJSRM-ZDUSSCGKSA-N 1 0 398.485 -0.170 20 0 GBADRO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000427462033 1073073988 /nfs/dbraw/zinc/07/39/88/1073073988.db2.gz HFVOZOYLNZLROJ-JXFKEZNVSA-N 1 0 388.468 -0.151 20 0 GBADRO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000427462034 1073073835 /nfs/dbraw/zinc/07/38/35/1073073835.db2.gz HFVOZOYLNZLROJ-OXJNMPFZSA-N 1 0 388.468 -0.151 20 0 GBADRO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000427462035 1073074139 /nfs/dbraw/zinc/07/41/39/1073074139.db2.gz HFVOZOYLNZLROJ-OXQOHEQNSA-N 1 0 388.468 -0.151 20 0 GBADRO 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SLORHDBTHZXITI-GXFFZTMASA-N 1 0 388.515 -0.223 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000427597276 530109919 /nfs/dbraw/zinc/10/99/19/530109919.db2.gz SLORHDBTHZXITI-MFKMUULPSA-N 1 0 388.515 -0.223 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000427597277 530109829 /nfs/dbraw/zinc/10/98/29/530109829.db2.gz SLORHDBTHZXITI-ZWNOBZJWSA-N 1 0 388.515 -0.223 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000427615229 1073192012 /nfs/dbraw/zinc/19/20/12/1073192012.db2.gz LWYVINQLVBGJHO-DZGCQCFKSA-N 1 0 384.502 -0.007 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000427615230 1073191878 /nfs/dbraw/zinc/19/18/78/1073191878.db2.gz LWYVINQLVBGJHO-HIFRSBDPSA-N 1 0 384.502 -0.007 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000427615231 1073191888 /nfs/dbraw/zinc/19/18/88/1073191888.db2.gz LWYVINQLVBGJHO-UKRRQHHQSA-N 1 0 384.502 -0.007 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000427615232 1073191946 /nfs/dbraw/zinc/19/19/46/1073191946.db2.gz LWYVINQLVBGJHO-ZFWWWQNUSA-N 1 0 384.502 -0.007 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000427699444 1073208876 /nfs/dbraw/zinc/20/88/76/1073208876.db2.gz XKUUFVSGXJPCRT-GFCCVEGCSA-N 1 0 375.429 -0.169 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000427699446 1073208659 /nfs/dbraw/zinc/20/86/59/1073208659.db2.gz XKUUFVSGXJPCRT-LBPRGKRZSA-N 1 0 375.429 -0.169 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000427775594 1073212470 /nfs/dbraw/zinc/21/24/70/1073212470.db2.gz GOANKCWGPQMMOI-DVOMOZLQSA-N 1 0 384.436 -0.063 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000427775604 1073212084 /nfs/dbraw/zinc/21/20/84/1073212084.db2.gz GOANKCWGPQMMOI-ZENOOKHLSA-N 1 0 384.436 -0.063 20 0 GBADRO CCC1(CC)CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCS1(=O)=O ZINC000427787135 1073212488 /nfs/dbraw/zinc/21/24/88/1073212488.db2.gz UFYYFVBAVDFNLG-UHFFFAOYSA-N 1 0 399.517 0.199 20 0 GBADRO COCCCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000427802398 1073212098 /nfs/dbraw/zinc/21/20/98/1073212098.db2.gz WTOKCDUYHRJDFW-UHFFFAOYSA-N 1 0 387.506 -0.342 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427846969 1073213688 /nfs/dbraw/zinc/21/36/88/1073213688.db2.gz JAZFCHDVZHRVLI-BETUJISGSA-N 1 0 380.470 -0.105 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OCC(N)=O ZINC000427851257 1073214561 /nfs/dbraw/zinc/21/45/61/1073214561.db2.gz RKFHLMDWCNGDDY-TXEJJXNPSA-N 1 0 376.413 -0.482 20 0 GBADRO CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000427865870 1073215270 /nfs/dbraw/zinc/21/52/70/1073215270.db2.gz QAOPLASQSCEVAH-INIZCTEOSA-N 1 0 392.504 0.315 20 0 GBADRO CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000427865871 1073214993 /nfs/dbraw/zinc/21/49/93/1073214993.db2.gz QAOPLASQSCEVAH-MRXNPFEDSA-N 1 0 392.504 0.315 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C[C@H]2C1 ZINC000427868204 1073215214 /nfs/dbraw/zinc/21/52/14/1073215214.db2.gz UBZLPVQYGDUXMT-GASCZTMLSA-N 1 0 376.461 -0.826 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3nnn(C)n3)c(C)c2)CC1 ZINC000427894648 1073216029 /nfs/dbraw/zinc/21/60/29/1073216029.db2.gz JKSRANFMYAHJDD-UHFFFAOYSA-N 1 0 386.460 -0.085 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C[C@H]2C1 ZINC000427894749 1073216775 /nfs/dbraw/zinc/21/67/75/1073216775.db2.gz LXSUXPDQNMDQSB-OKILXGFUSA-N 1 0 388.472 -0.100 20 0 GBADRO Cn1nnc(CNC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000427904988 1072515573 /nfs/dbraw/zinc/51/55/73/1072515573.db2.gz DDGKACPQIISAFK-UHFFFAOYSA-N 1 0 398.471 -0.003 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3nnn(C)n3)c2)CC1 ZINC000427907380 1073216759 /nfs/dbraw/zinc/21/67/59/1073216759.db2.gz KUZRJYNCXTWNMT-UHFFFAOYSA-N 1 0 386.460 -0.005 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCc3nnn(C)n3)cc2)CC1 ZINC000427922865 1073217931 /nfs/dbraw/zinc/21/79/31/1073217931.db2.gz LPJIJKAJGKQRFN-UHFFFAOYSA-N 1 0 386.460 -0.398 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427929658 1072519015 /nfs/dbraw/zinc/51/90/15/1072519015.db2.gz GVNYQMZKGRIKHQ-GDBMZVCRSA-N 1 0 394.497 -0.123 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427929662 1073217173 /nfs/dbraw/zinc/21/71/73/1073217173.db2.gz GVNYQMZKGRIKHQ-GOEBONIOSA-N 1 0 394.497 -0.123 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427929665 1073217210 /nfs/dbraw/zinc/21/72/10/1073217210.db2.gz GVNYQMZKGRIKHQ-HOCLYGCPSA-N 1 0 394.497 -0.123 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427929668 1073217371 /nfs/dbraw/zinc/21/73/71/1073217371.db2.gz GVNYQMZKGRIKHQ-ZBFHGGJFSA-N 1 0 394.497 -0.123 20 0 GBADRO COCCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCOC1 ZINC000427932544 1073217534 /nfs/dbraw/zinc/21/75/34/1073217534.db2.gz ODPYACHEHDHRRN-HNNXBMFYSA-N 1 0 379.461 0.352 20 0 GBADRO COCCN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCOC1 ZINC000427932550 1073217457 /nfs/dbraw/zinc/21/74/57/1073217457.db2.gz ODPYACHEHDHRRN-OAHLLOKOSA-N 1 0 379.461 0.352 20 0 GBADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000427960029 1073218628 /nfs/dbraw/zinc/21/86/28/1073218628.db2.gz STCLZFMNMWMTES-UHFFFAOYSA-N 1 0 399.469 -0.328 20 0 GBADRO O=C(CNC(=O)c1cccc(O)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000428021073 1073219721 /nfs/dbraw/zinc/21/97/21/1073219721.db2.gz LOBHLZGZBSXOIG-UHFFFAOYSA-N 1 0 377.441 -0.192 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000428021545 1073220952 /nfs/dbraw/zinc/22/09/52/1073220952.db2.gz JCYSHFFLTRPPPO-KRWDZBQOSA-N 1 0 380.489 -0.173 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000428021547 1073220709 /nfs/dbraw/zinc/22/07/09/1073220709.db2.gz JCYSHFFLTRPPPO-QGZVFWFLSA-N 1 0 380.489 -0.173 20 0 GBADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000428031290 1073221306 /nfs/dbraw/zinc/22/13/06/1073221306.db2.gz KSCJKIHVLQSZLA-NCOADZHNSA-N 1 0 385.530 -0.135 20 0 GBADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000428031291 1073221231 /nfs/dbraw/zinc/22/12/31/1073221231.db2.gz KSCJKIHVLQSZLA-QZWWFDLISA-N 1 0 385.530 -0.135 20 0 GBADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000428031292 1073221578 /nfs/dbraw/zinc/22/15/78/1073221578.db2.gz KSCJKIHVLQSZLA-TWMKSMIVSA-N 1 0 385.530 -0.135 20 0 GBADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000428031293 1073221494 /nfs/dbraw/zinc/22/14/94/1073221494.db2.gz KSCJKIHVLQSZLA-VQHPVUNQSA-N 1 0 385.530 -0.135 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428052638 1073222122 /nfs/dbraw/zinc/22/21/22/1073222122.db2.gz IGXGSBKQAFZCGX-GDBMZVCRSA-N 1 0 384.488 -0.304 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428052639 1073222163 /nfs/dbraw/zinc/22/21/63/1073222163.db2.gz IGXGSBKQAFZCGX-GOEBONIOSA-N 1 0 384.488 -0.304 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428052641 1073222065 /nfs/dbraw/zinc/22/20/65/1073222065.db2.gz IGXGSBKQAFZCGX-HOCLYGCPSA-N 1 0 384.488 -0.304 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428052642 1073221929 /nfs/dbraw/zinc/22/19/29/1073221929.db2.gz IGXGSBKQAFZCGX-ZBFHGGJFSA-N 1 0 384.488 -0.304 20 0 GBADRO [NH3+]CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000428113228 1073224263 /nfs/dbraw/zinc/22/42/63/1073224263.db2.gz SVLXUWYFYASNMA-UHFFFAOYSA-N 1 0 380.470 -0.382 20 0 GBADRO [NH3+]CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000428125914 1073224883 /nfs/dbraw/zinc/22/48/83/1073224883.db2.gz PDUOLYLMEJNXKZ-UHFFFAOYSA-N 1 0 380.470 -0.382 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NCCC[NH2+]Cc2cccnc2)cn1C ZINC000428130637 1073225503 /nfs/dbraw/zinc/22/55/03/1073225503.db2.gz UDZREVFMMAHCNV-UHFFFAOYSA-N 1 0 380.474 -0.302 20 0 GBADRO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000428131669 1073224254 /nfs/dbraw/zinc/22/42/54/1073224254.db2.gz QSGYRZASHBJUET-GOSISDBHSA-N 1 0 389.500 -0.142 20 0 GBADRO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000428131680 1073224225 /nfs/dbraw/zinc/22/42/25/1073224225.db2.gz QSGYRZASHBJUET-SFHVURJKSA-N 1 0 389.500 -0.142 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)NCCNS(=O)(=O)Cc1ccon1 ZINC000428133806 1073224039 /nfs/dbraw/zinc/22/40/39/1073224039.db2.gz YTSZEMIFROTLEJ-UHFFFAOYSA-N 1 0 389.478 -0.494 20 0 GBADRO Cn1c2c(ccn2CC(=O)NCCC[NH2+]Cc2cccnc2)c(=O)n(C)c1=O ZINC000428143381 1073224835 /nfs/dbraw/zinc/22/48/35/1073224835.db2.gz VRZVFXHHDSHTBR-UHFFFAOYSA-N 1 0 384.440 -0.270 20 0 GBADRO Cn1c2ncn(CCC(=O)NCCC[NH2+]Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000428151608 1073225723 /nfs/dbraw/zinc/22/57/23/1073225723.db2.gz BQNOODDSVIAGQO-UHFFFAOYSA-N 1 0 399.455 -0.485 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000428159769 1073226332 /nfs/dbraw/zinc/22/63/32/1073226332.db2.gz SRGXNMHTPHFFAM-CYBMUJFWSA-N 1 0 380.474 -0.222 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000428159775 1073226269 /nfs/dbraw/zinc/22/62/69/1073226269.db2.gz SRGXNMHTPHFFAM-ZDUSSCGKSA-N 1 0 380.474 -0.222 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000428174237 1073226958 /nfs/dbraw/zinc/22/69/58/1073226958.db2.gz CSWWUVOTYOBTCQ-UHFFFAOYSA-N 1 0 386.449 -0.616 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000428176652 1073226946 /nfs/dbraw/zinc/22/69/46/1073226946.db2.gz MJICBJJRQCWOGC-UHFFFAOYSA-N 1 0 383.470 -0.251 20 0 GBADRO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CC(=O)N3CC[NH2+]CC3)cnc21 ZINC000428177193 1073227063 /nfs/dbraw/zinc/22/70/63/1073227063.db2.gz OMLLRYIQVQMWPR-UHFFFAOYSA-N 1 0 388.428 -0.589 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428178451 1073227051 /nfs/dbraw/zinc/22/70/51/1073227051.db2.gz RWVLVUOMCDSPNG-GFCCVEGCSA-N 1 0 386.449 -0.617 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428178455 1073226967 /nfs/dbraw/zinc/22/69/67/1073226967.db2.gz RWVLVUOMCDSPNG-LBPRGKRZSA-N 1 0 386.449 -0.617 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000428178516 1073226655 /nfs/dbraw/zinc/22/66/55/1073226655.db2.gz CVOMKYTYSFLPGU-UHFFFAOYSA-N 1 0 377.836 -0.116 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179027 1073226871 /nfs/dbraw/zinc/22/68/71/1073226871.db2.gz DXKGOIHOHYKEIO-CABCVRRESA-N 1 0 386.518 -0.673 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179030 1073226921 /nfs/dbraw/zinc/22/69/21/1073226921.db2.gz DXKGOIHOHYKEIO-GJZGRUSLSA-N 1 0 386.518 -0.673 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179032 1073226876 /nfs/dbraw/zinc/22/68/76/1073226876.db2.gz DXKGOIHOHYKEIO-HUUCEWRRSA-N 1 0 386.518 -0.673 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2CN(S(C)(=O)=O)C2)CC1=O ZINC000428179036 1073226667 /nfs/dbraw/zinc/22/66/67/1073226667.db2.gz DXKGOIHOHYKEIO-LSDHHAIUSA-N 1 0 386.518 -0.673 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000428180428 1073227005 /nfs/dbraw/zinc/22/70/05/1073227005.db2.gz ZUGMPQKVQJMNPH-UHFFFAOYSA-N 1 0 395.510 -0.121 20 0 GBADRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428184020 1073226076 /nfs/dbraw/zinc/22/60/76/1073226076.db2.gz LSPCKLDRXRVZFC-INIZCTEOSA-N 1 0 389.435 -0.205 20 0 GBADRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428184022 1073226197 /nfs/dbraw/zinc/22/61/97/1073226197.db2.gz LSPCKLDRXRVZFC-MRXNPFEDSA-N 1 0 389.435 -0.205 20 0 GBADRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428187065 1073226364 /nfs/dbraw/zinc/22/63/64/1073226364.db2.gz RWHXPSNKEXOUMD-AWEZNQCLSA-N 1 0 397.497 -0.005 20 0 GBADRO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428187067 1073226405 /nfs/dbraw/zinc/22/64/05/1073226405.db2.gz RWHXPSNKEXOUMD-CQSZACIVSA-N 1 0 397.497 -0.005 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000428189133 1073227038 /nfs/dbraw/zinc/22/70/38/1073227038.db2.gz BBAVQBHHLLNKOP-UHFFFAOYSA-N 1 0 387.440 -0.358 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000428190595 1073227087 /nfs/dbraw/zinc/22/70/87/1073227087.db2.gz GDRMPBBFRKEGON-UHFFFAOYSA-N 1 0 381.498 -0.076 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000428194196 1073227784 /nfs/dbraw/zinc/22/77/84/1073227784.db2.gz DSSVQPAETMYZLY-PBHICJAKSA-N 1 0 376.461 -0.780 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000428194197 1073227444 /nfs/dbraw/zinc/22/74/44/1073227444.db2.gz DSSVQPAETMYZLY-RHSMWYFYSA-N 1 0 376.461 -0.780 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000428194198 1073227465 /nfs/dbraw/zinc/22/74/65/1073227465.db2.gz DSSVQPAETMYZLY-WMLDXEAASA-N 1 0 376.461 -0.780 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000428194199 1073227834 /nfs/dbraw/zinc/22/78/34/1073227834.db2.gz DSSVQPAETMYZLY-YOEHRIQHSA-N 1 0 376.461 -0.780 20 0 GBADRO COc1cccc(C[C@H](NC(C)=O)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000428195769 1073227653 /nfs/dbraw/zinc/22/76/53/1073227653.db2.gz BAGYUCRSZPRCOZ-KRWDZBQOSA-N 1 0 376.457 -0.367 20 0 GBADRO COc1cccc(C[C@@H](NC(C)=O)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000428195770 1072461412 /nfs/dbraw/zinc/46/14/12/1072461412.db2.gz BAGYUCRSZPRCOZ-QGZVFWFLSA-N 1 0 376.457 -0.367 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000428196703 1073227505 /nfs/dbraw/zinc/22/75/05/1073227505.db2.gz FHOAGRKUEGKBEZ-UHFFFAOYSA-N 1 0 399.444 -0.308 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000428196978 1073227580 /nfs/dbraw/zinc/22/75/80/1073227580.db2.gz GVJVTAKWFBEFBX-XEZPLFJOSA-N 1 0 383.518 -0.398 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428197241 1073227537 /nfs/dbraw/zinc/22/75/37/1073227537.db2.gz VLWZIKPYLMLXLP-AWEZNQCLSA-N 1 0 382.486 -0.448 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428197242 1073227849 /nfs/dbraw/zinc/22/78/49/1073227849.db2.gz VLWZIKPYLMLXLP-CQSZACIVSA-N 1 0 382.486 -0.448 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428200123 1072473373 /nfs/dbraw/zinc/47/33/73/1072473373.db2.gz PALCEYBYUPDIDM-UHFFFAOYSA-N 1 0 382.486 -0.446 20 0 GBADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428204726 1073228263 /nfs/dbraw/zinc/22/82/63/1073228263.db2.gz ZUNBSLMCBOWEGG-INIZCTEOSA-N 1 0 389.435 -0.205 20 0 GBADRO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428204729 1073228617 /nfs/dbraw/zinc/22/86/17/1073228617.db2.gz ZUNBSLMCBOWEGG-MRXNPFEDSA-N 1 0 389.435 -0.205 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000428204917 1073228355 /nfs/dbraw/zinc/22/83/55/1073228355.db2.gz GVJVTAKWFBEFBX-DVOMOZLQSA-N 1 0 383.518 -0.398 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000428204918 1073228680 /nfs/dbraw/zinc/22/86/80/1073228680.db2.gz GVJVTAKWFBEFBX-HEHGZKQESA-N 1 0 383.518 -0.398 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000428204919 1073228450 /nfs/dbraw/zinc/22/84/50/1073228450.db2.gz GVJVTAKWFBEFBX-WWGRRREGSA-N 1 0 383.518 -0.398 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428210556 1073228408 /nfs/dbraw/zinc/22/84/08/1073228408.db2.gz IXDXZEJOBFVSMN-HNNXBMFYSA-N 1 0 386.460 -0.835 20 0 GBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428210569 1073228278 /nfs/dbraw/zinc/22/82/78/1073228278.db2.gz IXDXZEJOBFVSMN-OAHLLOKOSA-N 1 0 386.460 -0.835 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000428213797 530375263 /nfs/dbraw/zinc/37/52/63/530375263.db2.gz WLGQVCGSJWXWIF-UHFFFAOYSA-N 1 0 394.906 -0.430 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2=O)cn1 ZINC000428214027 1073228164 /nfs/dbraw/zinc/22/81/64/1073228164.db2.gz XLIZUTUNUSMOOZ-UHFFFAOYSA-N 1 0 394.395 -0.185 20 0 GBADRO OC1(C2CC2)CN(c2nc(N3CC(O)(C4CC4)C3)nc(N3CCOCC3)n2)C1 ZINC000428237121 1073231937 /nfs/dbraw/zinc/23/19/37/1073231937.db2.gz ABPBYIDAEIOQEP-UHFFFAOYSA-N 1 0 388.472 -0.370 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000428249869 1073263313 /nfs/dbraw/zinc/26/33/13/1073263313.db2.gz YRFBHTJJXWIUHZ-MSOLQXFVSA-N 1 0 391.516 -0.256 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000428249870 1073263384 /nfs/dbraw/zinc/26/33/84/1073263384.db2.gz YRFBHTJJXWIUHZ-QZTJIDSGSA-N 1 0 391.516 -0.256 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000428249871 1073263294 /nfs/dbraw/zinc/26/32/94/1073263294.db2.gz YRFBHTJJXWIUHZ-ROUUACIJSA-N 1 0 391.516 -0.256 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000428249872 1073263236 /nfs/dbraw/zinc/26/32/36/1073263236.db2.gz YRFBHTJJXWIUHZ-ZWKOTPCHSA-N 1 0 391.516 -0.256 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000428281940 1073307176 /nfs/dbraw/zinc/30/71/76/1073307176.db2.gz UPALQHAZQFKXDQ-UHFFFAOYSA-N 1 0 384.506 -0.722 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428284200 1073311042 /nfs/dbraw/zinc/31/10/42/1073311042.db2.gz DISOXUVRVRXYRW-AWEZNQCLSA-N 1 0 389.478 -0.496 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428284202 1073311100 /nfs/dbraw/zinc/31/11/00/1073311100.db2.gz DISOXUVRVRXYRW-CQSZACIVSA-N 1 0 389.478 -0.496 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428291080 530375271 /nfs/dbraw/zinc/37/52/71/530375271.db2.gz YQNDLSHKOANVOO-GFCCVEGCSA-N 1 0 375.451 -0.886 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000428291082 530108908 /nfs/dbraw/zinc/10/89/08/530108908.db2.gz YQNDLSHKOANVOO-LBPRGKRZSA-N 1 0 375.451 -0.886 20 0 GBADRO CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC[NH2+]CC1 ZINC000428295407 1073326689 /nfs/dbraw/zinc/32/66/89/1073326689.db2.gz KCFYQWDINYYMDT-UHFFFAOYSA-N 1 0 380.470 -0.369 20 0 GBADRO CN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC[NH2+]CC1 ZINC000428306794 1073374098 /nfs/dbraw/zinc/37/40/98/1073374098.db2.gz QZWULTSUQKCWIM-UHFFFAOYSA-N 1 0 380.470 -0.369 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000428370161 1073540476 /nfs/dbraw/zinc/54/04/76/1073540476.db2.gz OBUUJERSRMISKN-OAHLLOKOSA-N 1 0 380.470 -0.287 20 0 GBADRO Cn1cc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cn1 ZINC000428393075 1073566448 /nfs/dbraw/zinc/56/64/48/1073566448.db2.gz WMGHGTWTTXXODR-AWEZNQCLSA-N 1 0 391.476 -0.634 20 0 GBADRO Cn1cc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cn1 ZINC000428393081 1073565915 /nfs/dbraw/zinc/56/59/15/1073565915.db2.gz WMGHGTWTTXXODR-CQSZACIVSA-N 1 0 391.476 -0.634 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000428400424 530375212 /nfs/dbraw/zinc/37/52/12/530375212.db2.gz JJAJRVWXSTZZIM-CHWSQXEVSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000428400429 530375205 /nfs/dbraw/zinc/37/52/05/530375205.db2.gz JJAJRVWXSTZZIM-OLZOCXBDSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000428400432 530375252 /nfs/dbraw/zinc/37/52/52/530375252.db2.gz JJAJRVWXSTZZIM-QWHCGFSZSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000428400435 530375363 /nfs/dbraw/zinc/37/53/63/530375363.db2.gz JJAJRVWXSTZZIM-STQMWFEESA-N 1 0 375.495 -0.951 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 ZINC000428413512 1073578415 /nfs/dbraw/zinc/57/84/15/1073578415.db2.gz LXVUPDKDOGGLHB-INIZCTEOSA-N 1 0 394.497 -0.027 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 ZINC000428413513 1073578059 /nfs/dbraw/zinc/57/80/59/1073578059.db2.gz LXVUPDKDOGGLHB-MRXNPFEDSA-N 1 0 394.497 -0.027 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000428436660 1073597547 /nfs/dbraw/zinc/59/75/47/1073597547.db2.gz GEAKDFWUFODMFS-UHFFFAOYSA-N 1 0 394.497 -0.025 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 ZINC000428445616 1073610327 /nfs/dbraw/zinc/61/03/27/1073610327.db2.gz GXMWCGBWLWYCTG-INIZCTEOSA-N 1 0 394.497 -0.027 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 ZINC000428445617 1073610251 /nfs/dbraw/zinc/61/02/51/1073610251.db2.gz GXMWCGBWLWYCTG-MRXNPFEDSA-N 1 0 394.497 -0.027 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000428477743 1073638695 /nfs/dbraw/zinc/63/86/95/1073638695.db2.gz DXQAYMRJNSXPMB-OAHLLOKOSA-N 1 0 380.470 -0.287 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000428486519 1073647744 /nfs/dbraw/zinc/64/77/44/1073647744.db2.gz UKSBCGYXCJXBJU-CYBMUJFWSA-N 1 0 382.486 -0.053 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@@H]([NH3+])C2)c1OC ZINC000428487902 1073648196 /nfs/dbraw/zinc/64/81/96/1073648196.db2.gz UHXXOHMBBJZVCG-GFCCVEGCSA-N 1 0 399.469 -0.102 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1nnn(C)n1 ZINC000428507344 1073840252 /nfs/dbraw/zinc/84/02/52/1073840252.db2.gz AUHCSELLBUOHNR-UHFFFAOYSA-N 1 0 395.489 -0.321 20 0 GBADRO [NH3+]C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000428509923 1073840460 /nfs/dbraw/zinc/84/04/60/1073840460.db2.gz KWPIYFQNCZTACU-CYBMUJFWSA-N 1 0 380.470 -0.382 20 0 GBADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000428509926 1073841524 /nfs/dbraw/zinc/84/15/24/1073841524.db2.gz KWPIYFQNCZTACU-ZDUSSCGKSA-N 1 0 380.470 -0.382 20 0 GBADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000428511686 1073841473 /nfs/dbraw/zinc/84/14/73/1073841473.db2.gz UFYABCYNGUWFAK-CYBMUJFWSA-N 1 0 380.470 -0.382 20 0 GBADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000428511687 1073841485 /nfs/dbraw/zinc/84/14/85/1073841485.db2.gz UFYABCYNGUWFAK-ZDUSSCGKSA-N 1 0 380.470 -0.382 20 0 GBADRO CC1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1=O ZINC000428525062 1073859504 /nfs/dbraw/zinc/85/95/04/1073859504.db2.gz XZVLKNPXWOPOOV-UHFFFAOYSA-N 1 0 383.430 -0.808 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 ZINC000428526509 1073859298 /nfs/dbraw/zinc/85/92/98/1073859298.db2.gz IWEKKLKMBWBEOR-UHFFFAOYSA-N 1 0 395.466 -0.162 20 0 GBADRO COc1cc(C(=O)NCC(=O)N2CCN(CCO)[C@H](C)C2)cc(OC)c1OC ZINC000428527023 1073859316 /nfs/dbraw/zinc/85/93/16/1073859316.db2.gz AMBNUIMUZZULLV-CYBMUJFWSA-N 1 0 395.456 -0.033 20 0 GBADRO COc1cc(C(=O)NCC(=O)N2CCN(CCO)[C@@H](C)C2)cc(OC)c1OC ZINC000428527026 1073859834 /nfs/dbraw/zinc/85/98/34/1073859834.db2.gz AMBNUIMUZZULLV-ZDUSSCGKSA-N 1 0 395.456 -0.033 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000428529545 1073860333 /nfs/dbraw/zinc/86/03/33/1073860333.db2.gz UMLBBFCNCBXNDZ-LLVKDONJSA-N 1 0 387.458 -0.510 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428529546 1073860438 /nfs/dbraw/zinc/86/04/38/1073860438.db2.gz UMLBBFCNCBXNDZ-NSHDSACASA-N 1 0 387.458 -0.510 20 0 GBADRO NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000428545873 1073890912 /nfs/dbraw/zinc/89/09/12/1073890912.db2.gz WKANHCMNIWLJSC-AWEZNQCLSA-N 1 0 379.442 -0.264 20 0 GBADRO NS(=O)(=O)c1cnn(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428545874 1073891040 /nfs/dbraw/zinc/89/10/40/1073891040.db2.gz WKANHCMNIWLJSC-CQSZACIVSA-N 1 0 379.442 -0.264 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)CNC2=O)c1 ZINC000428547927 1073894103 /nfs/dbraw/zinc/89/41/03/1073894103.db2.gz PWUKJBFUYWQWEK-UHFFFAOYSA-N 1 0 383.430 -0.806 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000428550564 1073902282 /nfs/dbraw/zinc/90/22/82/1073902282.db2.gz REUPVHWIUJSNGM-KRWDZBQOSA-N 1 0 396.513 -0.231 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000428550565 1073902591 /nfs/dbraw/zinc/90/25/91/1073902591.db2.gz REUPVHWIUJSNGM-QGZVFWFLSA-N 1 0 396.513 -0.231 20 0 GBADRO CN1CC(=O)N(CCCC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1=O ZINC000428552702 1073906501 /nfs/dbraw/zinc/90/65/01/1073906501.db2.gz ZVCMDRYHCZQJOV-UHFFFAOYSA-N 1 0 397.457 -0.464 20 0 GBADRO 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388.472 -0.101 20 0 GBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000429871528 1073891266 /nfs/dbraw/zinc/89/12/66/1073891266.db2.gz VMMXZOXJGGJRKJ-OAHLLOKOSA-N 1 0 388.472 -0.101 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC3(CO)CC3)cc2)CC1 ZINC000429884272 1073893225 /nfs/dbraw/zinc/89/32/25/1073893225.db2.gz LDIPKDJVERSOKV-UHFFFAOYSA-N 1 0 376.457 -0.108 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000429887752 1073894774 /nfs/dbraw/zinc/89/47/74/1073894774.db2.gz JGJDEZBNWRBGFW-HNNXBMFYSA-N 1 0 385.486 -0.004 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000429887754 1073894691 /nfs/dbraw/zinc/89/46/91/1073894691.db2.gz JGJDEZBNWRBGFW-OAHLLOKOSA-N 1 0 385.486 -0.004 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000429890360 1073894085 /nfs/dbraw/zinc/89/40/85/1073894085.db2.gz OXQOFRXLYKLFEQ-UHFFFAOYSA-N 1 0 385.486 -0.004 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000429896290 1073898173 /nfs/dbraw/zinc/89/81/73/1073898173.db2.gz GQXLQSIYNWYIEA-UHFFFAOYSA-N 1 0 375.429 -0.606 20 0 GBADRO O=C(COC1C[NH2+]C1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000429898441 1073896647 /nfs/dbraw/zinc/89/66/47/1073896647.db2.gz WUTWWUCJMHQMQS-AWEZNQCLSA-N 1 0 383.470 -0.252 20 0 GBADRO O=C(COC1C[NH2+]C1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000429898456 1073896989 /nfs/dbraw/zinc/89/69/89/1073896989.db2.gz WUTWWUCJMHQMQS-CQSZACIVSA-N 1 0 383.470 -0.252 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1 ZINC000429908878 1073897585 /nfs/dbraw/zinc/89/75/85/1073897585.db2.gz IJOMJIPAUUXTBV-UHFFFAOYSA-N 1 0 380.449 -0.862 20 0 GBADRO COc1cc2c(cc1S(=O)(=O)NCCN1CC[NH+](C)CC1)OCC(=O)N2 ZINC000429910817 1073897930 /nfs/dbraw/zinc/89/79/30/1073897930.db2.gz QQMRUWDFLWSIPB-UHFFFAOYSA-N 1 0 384.458 -0.448 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC23CCCC3)cn1 ZINC000429918665 1073900514 /nfs/dbraw/zinc/90/05/14/1073900514.db2.gz CZXRNXGSRFZIIV-AWEZNQCLSA-N 1 0 376.461 -0.052 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC23CCCC3)cn1 ZINC000429918667 1073900487 /nfs/dbraw/zinc/90/04/87/1073900487.db2.gz CZXRNXGSRFZIIV-CQSZACIVSA-N 1 0 376.461 -0.052 20 0 GBADRO O=C(COc1ccccc1CNC(=O)COC1C[NH2+]C1)NC[C@@H]1CCCO1 ZINC000429977686 1073911854 /nfs/dbraw/zinc/91/18/54/1073911854.db2.gz BYDWFIRDCPKHDF-HNNXBMFYSA-N 1 0 377.441 -0.035 20 0 GBADRO O=C(COc1ccccc1CNC(=O)COC1C[NH2+]C1)NC[C@H]1CCCO1 ZINC000429977688 1073911832 /nfs/dbraw/zinc/91/18/32/1073911832.db2.gz BYDWFIRDCPKHDF-OAHLLOKOSA-N 1 0 377.441 -0.035 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCO)c(C)c2)CC1 ZINC000429985067 1073912897 /nfs/dbraw/zinc/91/28/97/1073912897.db2.gz BJURGYYZEODMFO-UHFFFAOYSA-N 1 0 378.473 -0.111 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCO)c2)CC1 ZINC000429987295 1073924978 /nfs/dbraw/zinc/92/49/78/1073924978.db2.gz PGSMRSUKEVZRCO-UHFFFAOYSA-N 1 0 378.473 -0.031 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000429994471 1073938611 /nfs/dbraw/zinc/93/86/11/1073938611.db2.gz TZZNNAQDLOLMSX-UHFFFAOYSA-N 1 0 375.433 -0.040 20 0 GBADRO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000430003745 1073955467 /nfs/dbraw/zinc/95/54/67/1073955467.db2.gz XWVBONDIKZAKRV-KRWDZBQOSA-N 1 0 375.433 -0.354 20 0 GBADRO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000430003751 1073955667 /nfs/dbraw/zinc/95/56/67/1073955667.db2.gz XWVBONDIKZAKRV-QGZVFWFLSA-N 1 0 375.433 -0.354 20 0 GBADRO COCC[C@@]1(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[NH2+]C1 ZINC000430004100 1073955501 /nfs/dbraw/zinc/95/55/01/1073955501.db2.gz AFYFRIVMFIHAGQ-KRWDZBQOSA-N 1 0 399.517 -0.294 20 0 GBADRO COCC[C@]1(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[NH2+]C1 ZINC000430004104 1073955562 /nfs/dbraw/zinc/95/55/62/1073955562.db2.gz AFYFRIVMFIHAGQ-QGZVFWFLSA-N 1 0 399.517 -0.294 20 0 GBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N(CCO)CCO ZINC000430006105 1073956395 /nfs/dbraw/zinc/95/63/95/1073956395.db2.gz XCSKBCAQMXTACS-UHFFFAOYSA-N 1 0 390.484 -0.030 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000430015846 1073975752 /nfs/dbraw/zinc/97/57/52/1073975752.db2.gz BZCDVKKXJMGAPY-UHFFFAOYSA-N 1 0 384.458 -0.582 20 0 GBADRO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCCOCC[NH+](C)C)n1 ZINC000430020812 1073975884 /nfs/dbraw/zinc/97/58/84/1073975884.db2.gz HSLDZOIMNLEFED-UHFFFAOYSA-N 1 0 375.433 -0.088 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000430021329 1073976207 /nfs/dbraw/zinc/97/62/07/1073976207.db2.gz LMWICTSWQVHNDE-GXTWGEPZSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000430021330 1073975950 /nfs/dbraw/zinc/97/59/50/1073975950.db2.gz LMWICTSWQVHNDE-JSGCOSHPSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000430021331 1073975900 /nfs/dbraw/zinc/97/59/00/1073975900.db2.gz LMWICTSWQVHNDE-OCCSQVGLSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000430021332 1073975705 /nfs/dbraw/zinc/97/57/05/1073975705.db2.gz LMWICTSWQVHNDE-TZMCWYRMSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@]2(CCOC)CC[NH2+]C2)c1 ZINC000430023536 1073975744 /nfs/dbraw/zinc/97/57/44/1073975744.db2.gz XNWFHXZEWIJEGJ-KRWDZBQOSA-N 1 0 398.485 -0.334 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)c1 ZINC000430023537 1073976115 /nfs/dbraw/zinc/97/61/15/1073976115.db2.gz XNWFHXZEWIJEGJ-QGZVFWFLSA-N 1 0 398.485 -0.334 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000430025055 1073975809 /nfs/dbraw/zinc/97/58/09/1073975809.db2.gz VMUHFGLMYAOKGP-GFCCVEGCSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000430025056 1073976128 /nfs/dbraw/zinc/97/61/28/1073976128.db2.gz VMUHFGLMYAOKGP-LBPRGKRZSA-N 1 0 398.485 -0.194 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000430026252 1073976190 /nfs/dbraw/zinc/97/61/90/1073976190.db2.gz ZCBKMQCDKGAILS-AAEUAGOBSA-N 1 0 384.458 -0.584 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000430026255 1073976118 /nfs/dbraw/zinc/97/61/18/1073976118.db2.gz ZCBKMQCDKGAILS-DGCLKSJQSA-N 1 0 384.458 -0.584 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000430026257 1073976790 /nfs/dbraw/zinc/97/67/90/1073976790.db2.gz ZCBKMQCDKGAILS-WCQYABFASA-N 1 0 384.458 -0.584 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000430026258 1073977088 /nfs/dbraw/zinc/97/70/88/1073977088.db2.gz ZCBKMQCDKGAILS-YPMHNXCESA-N 1 0 384.458 -0.584 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnns1 ZINC000430026400 1073975800 /nfs/dbraw/zinc/97/58/00/1073975800.db2.gz LSRXZTDGOCRGCW-ZDUSSCGKSA-N 1 0 390.469 -0.118 20 0 GBADRO COC(=O)C(C)(C)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430038805 1072239266 /nfs/dbraw/zinc/23/92/66/1072239266.db2.gz KXUYENSJEIVFLB-OAHLLOKOSA-N 1 0 397.520 -0.147 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000430049772 1072333206 /nfs/dbraw/zinc/33/32/06/1072333206.db2.gz AAMWKTPGFDRIBG-CYBMUJFWSA-N 1 0 384.458 -0.582 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000430049773 1072333050 /nfs/dbraw/zinc/33/30/50/1072333050.db2.gz AAMWKTPGFDRIBG-ZDUSSCGKSA-N 1 0 384.458 -0.582 20 0 GBADRO Cc1ccnc(-n2nccc2NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000430055066 1072368188 /nfs/dbraw/zinc/36/81/88/1072368188.db2.gz BQZXSOKSLRMBQF-AWEZNQCLSA-N 1 0 399.455 -0.030 20 0 GBADRO Cc1ccnc(-n2nccc2NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000430055070 1072368685 /nfs/dbraw/zinc/36/86/85/1072368685.db2.gz BQZXSOKSLRMBQF-CQSZACIVSA-N 1 0 399.455 -0.030 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000430057800 1072427001 /nfs/dbraw/zinc/42/70/01/1072427001.db2.gz DTWUFVQNVBXBHG-QGZVFWFLSA-N 1 0 396.513 -0.404 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000430070916 1072499967 /nfs/dbraw/zinc/49/99/67/1072499967.db2.gz LBXXGKYCXBKOBC-DLBZAZTESA-N 1 0 396.513 -0.188 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000430070917 1072500095 /nfs/dbraw/zinc/50/00/95/1072500095.db2.gz LBXXGKYCXBKOBC-IAGOWNOFSA-N 1 0 396.513 -0.188 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000430070918 1072501514 /nfs/dbraw/zinc/50/15/14/1072501514.db2.gz LBXXGKYCXBKOBC-IRXDYDNUSA-N 1 0 396.513 -0.188 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000430070919 1072501373 /nfs/dbraw/zinc/50/13/73/1072501373.db2.gz LBXXGKYCXBKOBC-SJORKVTESA-N 1 0 396.513 -0.188 20 0 GBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000430075322 1072547405 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ZINC000430582711 1072576356 /nfs/dbraw/zinc/57/63/56/1072576356.db2.gz WZYWKMJDYJUJNR-OAHLLOKOSA-N 1 0 399.517 -0.192 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000430593743 1072579596 /nfs/dbraw/zinc/57/95/96/1072579596.db2.gz FLNBUUTZAAUGCZ-CABCVRRESA-N 1 0 384.488 -0.162 20 0 GBADRO [NH3+]C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430595646 1072580750 /nfs/dbraw/zinc/58/07/50/1072580750.db2.gz HXHUPEFUGZTTGB-CRAIPNDOSA-N 1 0 388.468 -0.080 20 0 GBADRO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430595648 1072580500 /nfs/dbraw/zinc/58/05/00/1072580500.db2.gz HXHUPEFUGZTTGB-MAUKXSAKSA-N 1 0 388.468 -0.080 20 0 GBADRO [NH3+]C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430595651 1072580811 /nfs/dbraw/zinc/58/08/11/1072580811.db2.gz HXHUPEFUGZTTGB-QAPCUYQASA-N 1 0 388.468 -0.080 20 0 GBADRO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430595654 1072580323 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CC(C)CCNC(=O)C1CCN(C(=O)CN(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430607592 1072598261 /nfs/dbraw/zinc/59/82/61/1072598261.db2.gz CNUXLNPTYIMOPH-UHFFFAOYSA-N 1 0 395.548 -0.249 20 0 GBADRO COCCOc1cccc(CNC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430607598 1072598141 /nfs/dbraw/zinc/59/81/41/1072598141.db2.gz CORCUPNHVLDVME-UHFFFAOYSA-N 1 0 378.473 -0.308 20 0 GBADRO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)CC(=O)N1CC[NH2+]CC1 ZINC000430609376 1072604583 /nfs/dbraw/zinc/60/45/83/1072604583.db2.gz HIZQZNCGTVRCGV-UHFFFAOYSA-N 1 0 376.396 -0.897 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430609625 1072604764 /nfs/dbraw/zinc/60/47/64/1072604764.db2.gz HWSVDWRMZSFAHF-HNNXBMFYSA-N 1 0 386.504 -0.057 20 0 GBADRO C[NH2+]C[C@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430609626 1072604818 /nfs/dbraw/zinc/60/48/18/1072604818.db2.gz HWSVDWRMZSFAHF-OAHLLOKOSA-N 1 0 386.504 -0.057 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000430609750 1072603700 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1 0 397.501 -0.552 20 0 GBADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610967 1072604810 /nfs/dbraw/zinc/60/48/10/1072604810.db2.gz MUUPLWYVZYYVRY-OLZOCXBDSA-N 1 0 397.501 -0.552 20 0 GBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610968 1072604839 /nfs/dbraw/zinc/60/48/39/1072604839.db2.gz MUUPLWYVZYYVRY-QWHCGFSZSA-N 1 0 397.501 -0.552 20 0 GBADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610969 1072604853 /nfs/dbraw/zinc/60/48/53/1072604853.db2.gz MUUPLWYVZYYVRY-STQMWFEESA-N 1 0 397.501 -0.552 20 0 GBADRO [NH3+][C@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430610996 1072604425 /nfs/dbraw/zinc/60/44/25/1072604425.db2.gz NAPIGFWYRJOKGG-HNNXBMFYSA-N 1 0 382.486 -0.643 20 0 GBADRO [NH3+][C@@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430610997 1072604531 /nfs/dbraw/zinc/60/45/31/1072604531.db2.gz NAPIGFWYRJOKGG-OAHLLOKOSA-N 1 0 382.486 -0.643 20 0 GBADRO COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430611081 1072604663 /nfs/dbraw/zinc/60/46/63/1072604663.db2.gz MZEUJQFIGXNVEO-UHFFFAOYSA-N 1 0 391.472 -0.578 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430611500 1072606764 /nfs/dbraw/zinc/60/67/64/1072606764.db2.gz OEBBXWAZQUAADD-UHFFFAOYSA-N 1 0 377.464 -0.162 20 0 GBADRO CCN(C(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000430612378 1072607848 /nfs/dbraw/zinc/60/78/48/1072607848.db2.gz RAGUBJXWEBACNE-ZNMIVQPWSA-N 1 0 388.534 -0.803 20 0 GBADRO CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)N1CC[NH2+]CC1 ZINC000430612861 1072607901 /nfs/dbraw/zinc/60/79/01/1072607901.db2.gz UJNCTISLMMQERM-UHFFFAOYSA-N 1 0 377.401 -0.573 20 0 GBADRO C[NH2+][C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430612941 1072607895 /nfs/dbraw/zinc/60/78/95/1072607895.db2.gz TWTKLOLYLASWOJ-HNNXBMFYSA-N 1 0 384.477 -0.048 20 0 GBADRO C[NH2+][C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430612942 1072607485 /nfs/dbraw/zinc/60/74/85/1072607485.db2.gz TWTKLOLYLASWOJ-OAHLLOKOSA-N 1 0 384.477 -0.048 20 0 GBADRO CN(CC(=O)Nc1ccccc1SCC(N)=O)CC(=O)N1CC[NH2+]CC1 ZINC000430616498 1072611724 /nfs/dbraw/zinc/61/17/24/1072611724.db2.gz FUCIROAVBYILQY-UHFFFAOYSA-N 1 0 379.486 -0.434 20 0 GBADRO CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000430618020 1072612601 /nfs/dbraw/zinc/61/26/01/1072612601.db2.gz QOCWHIKRTSZVEA-UHFFFAOYSA-N 1 0 375.473 -0.746 20 0 GBADRO O=C(CN1CCC[NH2+]CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000430618050 1072612633 /nfs/dbraw/zinc/61/26/33/1072612633.db2.gz QVEPYYCBPZDVIX-UHFFFAOYSA-N 1 0 384.477 -0.046 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2C[NH3+])CC1 ZINC000430618157 1073099393 /nfs/dbraw/zinc/09/93/93/1073099393.db2.gz RKTJVNPSMBMQOH-HNNXBMFYSA-N 1 0 399.517 -0.062 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C[NH3+])CC1 ZINC000430618158 1072614467 /nfs/dbraw/zinc/61/44/67/1072614467.db2.gz 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379.505 -0.757 20 0 GBADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651626 1072163832 /nfs/dbraw/zinc/16/38/32/1072163832.db2.gz WDLOOTASLSSLKZ-PMPSAXMXSA-N 1 0 379.505 -0.757 20 0 GBADRO CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430651664 1072164394 /nfs/dbraw/zinc/16/43/94/1072164394.db2.gz WFRPCVBQXLLINO-UHFFFAOYSA-N 1 0 397.501 -0.761 20 0 GBADRO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430653364 1072167345 /nfs/dbraw/zinc/16/73/45/1072167345.db2.gz ZANIUASFFGIEDU-HNNXBMFYSA-N 1 0 390.484 -0.131 20 0 GBADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430653365 1072167005 /nfs/dbraw/zinc/16/70/05/1072167005.db2.gz ZANIUASFFGIEDU-OAHLLOKOSA-N 1 0 390.484 -0.131 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000430653368 1072167150 /nfs/dbraw/zinc/16/71/50/1072167150.db2.gz ZBEHKSPILFRENA-UHFFFAOYSA-N 1 0 397.501 -0.747 20 0 GBADRO COCCOc1ccc(CNC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430659580 1072173912 /nfs/dbraw/zinc/17/39/12/1072173912.db2.gz ZRBMRJJRCIYQLM-UHFFFAOYSA-N 1 0 378.473 -0.308 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)ccc1C ZINC000430662719 1072176482 /nfs/dbraw/zinc/17/64/82/1072176482.db2.gz ITICZVRAALDLFL-UHFFFAOYSA-N 1 0 397.501 -0.795 20 0 GBADRO CC(C)CN(C(=O)CN(C)CC(=O)N1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430664008 1072177323 /nfs/dbraw/zinc/17/73/23/1072177323.db2.gz KUVHJHSNXONSJT-HNNXBMFYSA-N 1 0 388.534 -0.978 20 0 GBADRO CC(C)CN(C(=O)CN(C)CC(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430664010 1072177381 /nfs/dbraw/zinc/17/73/81/1072177381.db2.gz KUVHJHSNXONSJT-OAHLLOKOSA-N 1 0 388.534 -0.978 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668668 1072187894 /nfs/dbraw/zinc/18/78/94/1072187894.db2.gz RUDVNKVLNVQVEX-GFCCVEGCSA-N 1 0 383.474 -0.941 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668671 1072187750 /nfs/dbraw/zinc/18/77/50/1072187750.db2.gz RUDVNKVLNVQVEX-LBPRGKRZSA-N 1 0 383.474 -0.941 20 0 GBADRO COc1cc(OC)c(OC)cc1CNC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430670970 1072188810 /nfs/dbraw/zinc/18/88/10/1072188810.db2.gz WTHFXHPOLDJJKO-UHFFFAOYSA-N 1 0 394.472 -0.308 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000430697212 1072203843 /nfs/dbraw/zinc/20/38/43/1072203843.db2.gz DNLUQDYGFFXLOH-OAHLLOKOSA-N 1 0 381.502 -0.208 20 0 GBADRO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430699289 1072206221 /nfs/dbraw/zinc/20/62/21/1072206221.db2.gz PFLSCGBVPISLBI-UHFFFAOYSA-N 1 0 389.504 -0.603 20 0 GBADRO COCC[NH2+]CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000430709739 1072212340 /nfs/dbraw/zinc/21/23/40/1072212340.db2.gz ZALYQVYMVSLRJT-UHFFFAOYSA-N 1 0 398.529 -0.346 20 0 GBADRO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430712585 1072212221 /nfs/dbraw/zinc/21/22/21/1072212221.db2.gz DLNADBUBTGGEHG-KRWDZBQOSA-N 1 0 381.502 -0.351 20 0 GBADRO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430712587 1072211882 /nfs/dbraw/zinc/21/18/82/1072211882.db2.gz DLNADBUBTGGEHG-QGZVFWFLSA-N 1 0 381.502 -0.351 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000430712611 1072212317 /nfs/dbraw/zinc/21/23/17/1072212317.db2.gz DNLUQDYGFFXLOH-HNNXBMFYSA-N 1 0 381.502 -0.208 20 0 GBADRO O=C(C[NH2+]CC1CC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430712800 1072211976 /nfs/dbraw/zinc/21/19/76/1072211976.db2.gz DVMOAOJVNOHTAT-UHFFFAOYSA-N 1 0 381.502 -0.351 20 0 GBADRO O=C(C[C@H]1C[NH2+]CCO1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430714469 1072212051 /nfs/dbraw/zinc/21/20/51/1072212051.db2.gz LEEJAMRUAFECID-HNNXBMFYSA-N 1 0 397.501 -0.972 20 0 GBADRO O=C(C[C@@H]1C[NH2+]CCO1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430714473 1072212384 /nfs/dbraw/zinc/21/23/84/1072212384.db2.gz LEEJAMRUAFECID-OAHLLOKOSA-N 1 0 397.501 -0.972 20 0 GBADRO O=C(C[C@@H]1CCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430714925 1072211818 /nfs/dbraw/zinc/21/18/18/1072211818.db2.gz NGVLSLYRGDLICA-HNNXBMFYSA-N 1 0 381.502 -0.208 20 0 GBADRO O=C(C[C@H]1CCC[NH2+]1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430714926 1072212358 /nfs/dbraw/zinc/21/23/58/1072212358.db2.gz NGVLSLYRGDLICA-OAHLLOKOSA-N 1 0 381.502 -0.208 20 0 GBADRO COCC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[NH2+]C1 ZINC000430717258 1072212111 /nfs/dbraw/zinc/21/21/11/1072212111.db2.gz VJCWTPYFMREKDA-KRWDZBQOSA-N 1 0 382.486 -0.069 20 0 GBADRO COCC[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC[NH2+]C1 ZINC000430717261 1072211788 /nfs/dbraw/zinc/21/17/88/1072211788.db2.gz VJCWTPYFMREKDA-QGZVFWFLSA-N 1 0 382.486 -0.069 20 0 GBADRO [NH3+][C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430718819 1072212036 /nfs/dbraw/zinc/21/20/36/1072212036.db2.gz YHCFHMUWCBNDNY-CABCVRRESA-N 1 0 381.502 -0.223 20 0 GBADRO [NH3+][C@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430718821 1072213236 /nfs/dbraw/zinc/21/32/36/1072213236.db2.gz YHCFHMUWCBNDNY-GJZGRUSLSA-N 1 0 381.502 -0.223 20 0 GBADRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430718824 1072213302 /nfs/dbraw/zinc/21/33/02/1072213302.db2.gz YHCFHMUWCBNDNY-HUUCEWRRSA-N 1 0 381.502 -0.223 20 0 GBADRO [NH3+][C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430718825 1072213033 /nfs/dbraw/zinc/21/30/33/1072213033.db2.gz YHCFHMUWCBNDNY-LSDHHAIUSA-N 1 0 381.502 -0.223 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430721299 1072212437 /nfs/dbraw/zinc/21/24/37/1072212437.db2.gz CCBPFJMLEJCKFS-UHFFFAOYSA-N 1 0 389.504 -0.123 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430724499 530377534 /nfs/dbraw/zinc/37/75/34/530377534.db2.gz RGTKVLGSLMNRTH-CYBMUJFWSA-N 1 0 376.523 -0.285 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430724500 530377591 /nfs/dbraw/zinc/37/75/91/530377591.db2.gz RGTKVLGSLMNRTH-ZDUSSCGKSA-N 1 0 376.523 -0.285 20 0 GBADRO Cn1c2ncn(CCC(=O)NC[C@H]3[NH2+]CCCC3(C)C)c2c(=O)n(C)c1=O ZINC000430734608 1072213114 /nfs/dbraw/zinc/21/31/14/1072213114.db2.gz WIQPYLTUJGDYRW-GFCCVEGCSA-N 1 0 376.461 -0.282 20 0 GBADRO Cn1c2ncn(CCC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)c2c(=O)n(C)c1=O ZINC000430734609 1072213313 /nfs/dbraw/zinc/21/33/13/1072213313.db2.gz WIQPYLTUJGDYRW-LBPRGKRZSA-N 1 0 376.461 -0.282 20 0 GBADRO O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)COC2C[NH2+]C2)c1 ZINC000430740619 1072212942 /nfs/dbraw/zinc/21/29/42/1072212942.db2.gz QMAGHRCULZEHIU-UHFFFAOYSA-N 1 0 376.457 -0.048 20 0 GBADRO Cc1c(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430741240 1072212770 /nfs/dbraw/zinc/21/27/70/1072212770.db2.gz IKESPFJMOWLOLC-AWEZNQCLSA-N 1 0 389.504 -0.064 20 0 GBADRO Cc1c(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430741244 1072213319 /nfs/dbraw/zinc/21/33/19/1072213319.db2.gz IKESPFJMOWLOLC-CQSZACIVSA-N 1 0 389.504 -0.064 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)COC3C[NH2+]C3)CC2)cc1 ZINC000430743309 1072213469 /nfs/dbraw/zinc/21/34/69/1072213469.db2.gz QZRZTDJCWBJDII-UHFFFAOYSA-N 1 0 396.513 -0.594 20 0 GBADRO O=C(CN1CCNCC1=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430744983 1072213084 /nfs/dbraw/zinc/21/30/84/1072213084.db2.gz XDRAJMQPCVNHDV-UHFFFAOYSA-N 1 0 387.484 -0.440 20 0 GBADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000430749540 1072213378 /nfs/dbraw/zinc/21/33/78/1072213378.db2.gz KIPNHIAIUOAZRS-HNNXBMFYSA-N 1 0 382.486 -0.249 20 0 GBADRO NS(=O)(=O)c1ccc(N2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000430749542 1072213175 /nfs/dbraw/zinc/21/31/75/1072213175.db2.gz KIPNHIAIUOAZRS-OAHLLOKOSA-N 1 0 382.486 -0.249 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cnc2n(C)c1=O ZINC000430755478 1072212820 /nfs/dbraw/zinc/21/28/20/1072212820.db2.gz OYKBGUBMSCMCER-UHFFFAOYSA-N 1 0 384.400 -0.600 20 0 GBADRO Cc1c(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nnn1C1CC[NH2+]CC1 ZINC000430758205 1072213372 /nfs/dbraw/zinc/21/33/72/1072213372.db2.gz ZXSBFRHMRUEFML-UHFFFAOYSA-N 1 0 398.427 -0.291 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)COC2C[NH2+]C2)CC1 ZINC000430805918 1072215463 /nfs/dbraw/zinc/21/54/63/1072215463.db2.gz GSALKFZGHLIPPW-UHFFFAOYSA-N 1 0 382.486 -0.773 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000430809283 1072214724 /nfs/dbraw/zinc/21/47/24/1072214724.db2.gz GOLYYDSWZPFQTN-AWEZNQCLSA-N 1 0 386.518 -0.905 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000430809288 1072215022 /nfs/dbraw/zinc/21/50/22/1072215022.db2.gz GOLYYDSWZPFQTN-CQSZACIVSA-N 1 0 386.518 -0.905 20 0 GBADRO CN(C)c1noc(CCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)n1 ZINC000430825782 1072215854 /nfs/dbraw/zinc/21/58/54/1072215854.db2.gz TYYSNYXWMGXICZ-UHFFFAOYSA-N 1 0 378.437 -0.419 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430845535 1072217074 /nfs/dbraw/zinc/21/70/74/1072217074.db2.gz CWKVENWNUCXTOA-UHFFFAOYSA-N 1 0 377.493 -0.171 20 0 GBADRO CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1CC[NH2+]CC1 ZINC000430846836 530377667 /nfs/dbraw/zinc/37/76/67/530377667.db2.gz JMDXTRBNIGGQLD-UHFFFAOYSA-N 1 0 376.523 -0.189 20 0 GBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)COC3C[NH2+]C3)c2)CC1 ZINC000430852777 1072217353 /nfs/dbraw/zinc/21/73/53/1072217353.db2.gz UKVKLGYFEMWKPF-UHFFFAOYSA-N 1 0 382.486 -0.060 20 0 GBADRO O=C(CN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1)N1CCCCC1 ZINC000430853324 1072216987 /nfs/dbraw/zinc/21/69/87/1072216987.db2.gz HJJXXARYXPCLLV-UHFFFAOYSA-N 1 0 389.504 -0.027 20 0 GBADRO Cc1c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000430859952 1072218119 /nfs/dbraw/zinc/21/81/19/1072218119.db2.gz ZJOKEHBIGWEZRR-UHFFFAOYSA-N 1 0 377.493 -0.207 20 0 GBADRO COCC[C@@]1(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000430867834 1072218166 /nfs/dbraw/zinc/21/81/66/1072218166.db2.gz TWXVWXNXPNOJPO-APWZRJJASA-N 1 0 382.505 -0.606 20 0 GBADRO COCC[C@@]1(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000430867835 1072218073 /nfs/dbraw/zinc/21/80/73/1072218073.db2.gz TWXVWXNXPNOJPO-LPHOPBHVSA-N 1 0 382.505 -0.606 20 0 GBADRO COCC[C@]1(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000430867836 1072218944 /nfs/dbraw/zinc/21/89/44/1072218944.db2.gz TWXVWXNXPNOJPO-QFBILLFUSA-N 1 0 382.505 -0.606 20 0 GBADRO COCC[C@]1(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC[NH2+]C1 ZINC000430867837 1072218762 /nfs/dbraw/zinc/21/87/62/1072218762.db2.gz TWXVWXNXPNOJPO-VQIMIIECSA-N 1 0 382.505 -0.606 20 0 GBADRO COC1(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000430867986 1072217988 /nfs/dbraw/zinc/21/79/88/1072217988.db2.gz MISHVCYBRBMVPK-UHFFFAOYSA-N 1 0 376.461 -0.600 20 0 GBADRO COCC[C@]1(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)CC[NH2+]C1 ZINC000430868735 1072217883 /nfs/dbraw/zinc/21/78/83/1072217883.db2.gz WGPFKAOTZYHSNE-GOSISDBHSA-N 1 0 378.477 -0.388 20 0 GBADRO COCC[C@@]1(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)CC[NH2+]C1 ZINC000430868738 1072218237 /nfs/dbraw/zinc/21/82/37/1072218237.db2.gz WGPFKAOTZYHSNE-SFHVURJKSA-N 1 0 378.477 -0.388 20 0 GBADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CN3CCNCC3=O)cc2)CC1 ZINC000430871119 1072218903 /nfs/dbraw/zinc/21/89/03/1072218903.db2.gz CFFJJJXUCQXMNN-UHFFFAOYSA-N 1 0 387.484 -0.203 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430877682 1072219611 /nfs/dbraw/zinc/21/96/11/1072219611.db2.gz DMBYNQRQYBDHRB-AWEZNQCLSA-N 1 0 382.486 -0.378 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430877684 1072219699 /nfs/dbraw/zinc/21/96/99/1072219699.db2.gz DMBYNQRQYBDHRB-CQSZACIVSA-N 1 0 382.486 -0.378 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCNCC3=O)c2)C1 ZINC000430881740 1072219634 /nfs/dbraw/zinc/21/96/34/1072219634.db2.gz DXYAIKNAHLRDIZ-KRWDZBQOSA-N 1 0 387.484 -0.568 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CN3CCNCC3=O)c2)C1 ZINC000430881741 1072219899 /nfs/dbraw/zinc/21/98/99/1072219899.db2.gz DXYAIKNAHLRDIZ-QGZVFWFLSA-N 1 0 387.484 -0.568 20 0 GBADRO Cn1c(=O)ccn(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1=O ZINC000430884259 1072220044 /nfs/dbraw/zinc/22/00/44/1072220044.db2.gz VVDFSYXGYHXHGO-UHFFFAOYSA-N 1 0 393.488 -0.710 20 0 GBADRO CN(CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000430885956 530377641 /nfs/dbraw/zinc/37/76/41/530377641.db2.gz PVTLAWKDKXGENY-UHFFFAOYSA-N 1 0 376.523 -0.379 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000430889513 1072219519 /nfs/dbraw/zinc/21/95/19/1072219519.db2.gz NRMKCEGWPOYELV-UHFFFAOYSA-N 1 0 395.460 -0.850 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CN2CCCS2(=O)=O)CC1 ZINC000430892078 1072220927 /nfs/dbraw/zinc/22/09/27/1072220927.db2.gz ZWTZFNUNLBOVCU-UHFFFAOYSA-N 1 0 388.534 -0.235 20 0 GBADRO CN1CC(=O)N(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000430893418 1072220946 /nfs/dbraw/zinc/22/09/46/1072220946.db2.gz FRRPHVHHHPLYTR-UHFFFAOYSA-N 1 0 381.477 -0.377 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000430902226 1072220604 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KLTOJCCKCMCRFX-CQSZACIVSA-N 1 0 384.477 -0.061 20 0 GBADRO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000430928196 1072221577 /nfs/dbraw/zinc/22/15/77/1072221577.db2.gz KQIIHJRKVDMPBN-ZDUSSCGKSA-N 1 0 398.485 -0.312 20 0 GBADRO C[C@@H](C[NH3+])N(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000430931800 1072222187 /nfs/dbraw/zinc/22/21/87/1072222187.db2.gz DRVNOLKSQUSIHT-AWEZNQCLSA-N 1 0 384.502 -0.397 20 0 GBADRO C[C@H](C[NH3+])N(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000430931801 1072222337 /nfs/dbraw/zinc/22/23/37/1072222337.db2.gz DRVNOLKSQUSIHT-CQSZACIVSA-N 1 0 384.502 -0.397 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000430936117 1072222618 /nfs/dbraw/zinc/22/26/18/1072222618.db2.gz XFQYSOFINGAYRF-AWEZNQCLSA-N 1 0 382.486 -0.073 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000430936118 1072222779 /nfs/dbraw/zinc/22/27/79/1072222779.db2.gz XFQYSOFINGAYRF-CQSZACIVSA-N 1 0 382.486 -0.073 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC[NH2+]1 ZINC000430937306 1072222782 /nfs/dbraw/zinc/22/27/82/1072222782.db2.gz AUIWECOKLPPVLF-CRAIPNDOSA-N 1 0 388.468 -0.209 20 0 GBADRO C[C@@H]1CN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC[NH2+]1 ZINC000430937307 1072222708 /nfs/dbraw/zinc/22/27/08/1072222708.db2.gz AUIWECOKLPPVLF-QAPCUYQASA-N 1 0 388.468 -0.209 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430938348 1072222626 /nfs/dbraw/zinc/22/26/26/1072222626.db2.gz BKYGTMINGRZSOR-AWEZNQCLSA-N 1 0 385.490 -0.595 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430938349 1072222402 /nfs/dbraw/zinc/22/24/02/1072222402.db2.gz BKYGTMINGRZSOR-CQSZACIVSA-N 1 0 385.490 -0.595 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430947651 1072224193 /nfs/dbraw/zinc/22/41/93/1072224193.db2.gz BRWMHVWFCJETFW-AWEZNQCLSA-N 1 0 382.486 -0.073 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430947652 1072224153 /nfs/dbraw/zinc/22/41/53/1072224153.db2.gz BRWMHVWFCJETFW-CQSZACIVSA-N 1 0 382.486 -0.073 20 0 GBADRO C[NH2+]C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950100 1072224248 /nfs/dbraw/zinc/22/42/48/1072224248.db2.gz QBNBYEPPAIOFOI-HNNXBMFYSA-N 1 0 399.517 -0.334 20 0 GBADRO C[NH2+]C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430950106 1072223954 /nfs/dbraw/zinc/22/39/54/1072223954.db2.gz QBNBYEPPAIOFOI-OAHLLOKOSA-N 1 0 399.517 -0.334 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952757 1072225317 /nfs/dbraw/zinc/22/53/17/1072225317.db2.gz QWUCQYIJJOGAGM-HNNXBMFYSA-N 1 0 396.513 -0.396 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000430952762 1072225535 /nfs/dbraw/zinc/22/55/35/1072225535.db2.gz QWUCQYIJJOGAGM-OAHLLOKOSA-N 1 0 396.513 -0.396 20 0 GBADRO C[C@H](C[NH3+])N(C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430954840 1072224555 /nfs/dbraw/zinc/22/45/55/1072224555.db2.gz XNJQLWOTTRKPEQ-PBHICJAKSA-N 1 0 376.457 -0.224 20 0 GBADRO C[C@H](C[NH3+])N(C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430954841 1072224485 /nfs/dbraw/zinc/22/44/85/1072224485.db2.gz XNJQLWOTTRKPEQ-RHSMWYFYSA-N 1 0 376.457 -0.224 20 0 GBADRO C[C@@H](C[NH3+])N(C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430954842 1072224340 /nfs/dbraw/zinc/22/43/40/1072224340.db2.gz XNJQLWOTTRKPEQ-WMLDXEAASA-N 1 0 376.457 -0.224 20 0 GBADRO C[C@@H](C[NH3+])N(C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430954843 1072224274 /nfs/dbraw/zinc/22/42/74/1072224274.db2.gz XNJQLWOTTRKPEQ-YOEHRIQHSA-N 1 0 376.457 -0.224 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000430957411 1072224220 /nfs/dbraw/zinc/22/42/20/1072224220.db2.gz SCVYIBZZUHPNMC-AWEZNQCLSA-N 1 0 395.485 -0.908 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000430957412 1072224008 /nfs/dbraw/zinc/22/40/08/1072224008.db2.gz SCVYIBZZUHPNMC-CQSZACIVSA-N 1 0 395.485 -0.908 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960039 1072225230 /nfs/dbraw/zinc/22/52/30/1072225230.db2.gz GKUWXUWDOQGBKA-KRWDZBQOSA-N 1 0 380.514 -0.059 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960040 1072224896 /nfs/dbraw/zinc/22/48/96/1072224896.db2.gz GKUWXUWDOQGBKA-QGZVFWFLSA-N 1 0 380.514 -0.059 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963227 1072226126 /nfs/dbraw/zinc/22/61/26/1072226126.db2.gz SWZYBTJCUXRNFL-CRAIPNDOSA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963228 1072226002 /nfs/dbraw/zinc/22/60/02/1072226002.db2.gz SWZYBTJCUXRNFL-MAUKXSAKSA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+]C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963229 1072226035 /nfs/dbraw/zinc/22/60/35/1072226035.db2.gz SWZYBTJCUXRNFL-QAPCUYQASA-N 1 0 388.468 -0.222 20 0 GBADRO [NH3+]C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963230 1072226080 /nfs/dbraw/zinc/22/60/80/1072226080.db2.gz SWZYBTJCUXRNFL-YJBOKZPZSA-N 1 0 388.468 -0.222 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000430963369 1072226180 /nfs/dbraw/zinc/22/61/80/1072226180.db2.gz UQXMRDJGNSLLQV-BETUJISGSA-N 1 0 399.517 -0.193 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000430963370 1072226115 /nfs/dbraw/zinc/22/61/15/1072226115.db2.gz UQXMRDJGNSLLQV-CHWSQXEVSA-N 1 0 399.517 -0.193 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000430963371 1072226063 /nfs/dbraw/zinc/22/60/63/1072226063.db2.gz UQXMRDJGNSLLQV-STQMWFEESA-N 1 0 399.517 -0.193 20 0 GBADRO O=C(CN1CC[NH2+]Cc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000430968358 1072226829 /nfs/dbraw/zinc/22/68/29/1072226829.db2.gz XZFHWJZTJPYTDZ-KRWDZBQOSA-N 1 0 392.525 -0.073 20 0 GBADRO O=C(CN1CC[NH2+]Cc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430968360 1072227009 /nfs/dbraw/zinc/22/70/09/1072227009.db2.gz XZFHWJZTJPYTDZ-QGZVFWFLSA-N 1 0 392.525 -0.073 20 0 GBADRO C[NH2+]C1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000430972359 1072226706 /nfs/dbraw/zinc/22/67/06/1072226706.db2.gz RYHQUDXYGIHMRW-UHFFFAOYSA-N 1 0 399.517 -0.192 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431005903 1072231885 /nfs/dbraw/zinc/23/18/85/1072231885.db2.gz LXDCJDHWSKQOCC-HNNXBMFYSA-N 1 0 389.504 -0.029 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431005904 1072232264 /nfs/dbraw/zinc/23/22/64/1072232264.db2.gz LXDCJDHWSKQOCC-OAHLLOKOSA-N 1 0 389.504 -0.029 20 0 GBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000431006645 1072232772 /nfs/dbraw/zinc/23/27/72/1072232772.db2.gz OAUNWWOIMOBZDH-UHFFFAOYSA-N 1 0 389.500 -0.293 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC4(CC[NH2+]C4)CC3)cnc21 ZINC000431020200 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385.476 -0.455 20 0 GBADRO COC(=O)[C@@H]1CCCN2C(=O)N(CCC[N@@H+]3CCC[C@H](C(N)=O)C3)C(=O)[C@@H]12 ZINC000431066326 1072235816 /nfs/dbraw/zinc/23/58/16/1072235816.db2.gz SGPIBMRUXJXVIJ-BFHYXJOUSA-N 1 0 380.445 -0.210 20 0 GBADRO COC(=O)[C@@H]1CCCN2C(=O)N(CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C(=O)[C@H]12 ZINC000431066329 1072236108 /nfs/dbraw/zinc/23/61/08/1072236108.db2.gz SGPIBMRUXJXVIJ-MCIONIFRSA-N 1 0 380.445 -0.210 20 0 GBADRO COC(=O)[C@@H]1CCCN2C(=O)N(CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C(=O)[C@@H]12 ZINC000431066331 1072236097 /nfs/dbraw/zinc/23/60/97/1072236097.db2.gz SGPIBMRUXJXVIJ-MGPQQGTHSA-N 1 0 380.445 -0.210 20 0 GBADRO COC(=O)[C@@H]1CCCN2C(=O)N(CCC[N@@H+]3CCC[C@H](C(N)=O)C3)C(=O)[C@H]12 ZINC000431066333 1072235711 /nfs/dbraw/zinc/23/57/11/1072235711.db2.gz SGPIBMRUXJXVIJ-MJBXVCDLSA-N 1 0 380.445 -0.210 20 0 GBADRO O=C(CN1CC[NH2+]CC12CCCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000431071844 1072236911 /nfs/dbraw/zinc/23/69/11/1072236911.db2.gz WGJNDASGYBDDME-KRWDZBQOSA-N 1 0 398.573 -0.074 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ZINC000431152675 1073597479 /nfs/dbraw/zinc/59/74/79/1073597479.db2.gz WKDCWBGKDJETDT-BBWFWOEESA-N 1 0 393.550 -0.560 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000431152676 1073597334 /nfs/dbraw/zinc/59/73/34/1073597334.db2.gz WKDCWBGKDJETDT-IXDOHACOSA-N 1 0 393.550 -0.560 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000431152677 1073597653 /nfs/dbraw/zinc/59/76/53/1073597653.db2.gz WKDCWBGKDJETDT-ULQDDVLXSA-N 1 0 393.550 -0.560 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000431152678 1073597380 /nfs/dbraw/zinc/59/73/80/1073597380.db2.gz WKDCWBGKDJETDT-ZACQAIPSSA-N 1 0 393.550 -0.560 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431186197 1072247257 /nfs/dbraw/zinc/24/72/57/1072247257.db2.gz FIGWCANZXWZTIR-INIZCTEOSA-N 1 0 393.532 -0.212 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431186198 1072247059 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/nfs/dbraw/zinc/25/00/56/1072250056.db2.gz NOLZALKOSWHHCU-GJZGRUSLSA-N 1 0 379.505 -0.602 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000431193224 1072249710 /nfs/dbraw/zinc/24/97/10/1072249710.db2.gz NOLZALKOSWHHCU-HUUCEWRRSA-N 1 0 379.505 -0.602 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000431193225 1072249775 /nfs/dbraw/zinc/24/97/75/1072249775.db2.gz NOLZALKOSWHHCU-LSDHHAIUSA-N 1 0 379.505 -0.602 20 0 GBADRO CC1(C)NC(=O)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000431194943 1072250071 /nfs/dbraw/zinc/25/00/71/1072250071.db2.gz VZFJJBBNUBEIAI-CABCVRRESA-N 1 0 380.489 -0.269 20 0 GBADRO CC1(C)NC(=O)CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000431194944 1072250035 /nfs/dbraw/zinc/25/00/35/1072250035.db2.gz VZFJJBBNUBEIAI-HUUCEWRRSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431195217 1072250162 /nfs/dbraw/zinc/25/01/62/1072250162.db2.gz WWUJDQQTXRVQLK-GDBMZVCRSA-N 1 0 394.516 -0.145 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431195218 1072249966 /nfs/dbraw/zinc/24/99/66/1072249966.db2.gz WWUJDQQTXRVQLK-GOEBONIOSA-N 1 0 394.516 -0.145 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431195219 1072250150 /nfs/dbraw/zinc/25/01/50/1072250150.db2.gz WWUJDQQTXRVQLK-HOCLYGCPSA-N 1 0 394.516 -0.145 20 0 GBADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431195220 1072250052 /nfs/dbraw/zinc/25/00/52/1072250052.db2.gz WWUJDQQTXRVQLK-ZBFHGGJFSA-N 1 0 394.516 -0.145 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431196056 1072250531 /nfs/dbraw/zinc/25/05/31/1072250531.db2.gz ZQKIGMGHKIISDM-HNNXBMFYSA-N 1 0 380.489 -0.127 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431196057 1072251011 /nfs/dbraw/zinc/25/10/11/1072251011.db2.gz ZQKIGMGHKIISDM-OAHLLOKOSA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@@H](C)O1 ZINC000431213964 1072253558 /nfs/dbraw/zinc/25/35/58/1072253558.db2.gz ZAHRFAGSVGAUJH-KFWWJZLASA-N 1 0 380.489 -0.081 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H](C)O1 ZINC000431213965 1072253433 /nfs/dbraw/zinc/25/34/33/1072253433.db2.gz ZAHRFAGSVGAUJH-QLFBSQMISA-N 1 0 380.489 -0.081 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@@H](C)O1 ZINC000431213966 1072253642 /nfs/dbraw/zinc/25/36/42/1072253642.db2.gz ZAHRFAGSVGAUJH-RBSFLKMASA-N 1 0 380.489 -0.081 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@H](C)O1 ZINC000431213967 1072253291 /nfs/dbraw/zinc/25/32/91/1072253291.db2.gz ZAHRFAGSVGAUJH-ZNMIVQPWSA-N 1 0 380.489 -0.081 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431219482 1072253275 /nfs/dbraw/zinc/25/32/75/1072253275.db2.gz IGINHGTVHYUNPW-CABCVRRESA-N 1 0 380.489 -0.127 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431219484 1072253585 /nfs/dbraw/zinc/25/35/85/1072253585.db2.gz IGINHGTVHYUNPW-GJZGRUSLSA-N 1 0 380.489 -0.127 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431219486 1072253201 /nfs/dbraw/zinc/25/32/01/1072253201.db2.gz IGINHGTVHYUNPW-HUUCEWRRSA-N 1 0 380.489 -0.127 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431219487 1072253213 /nfs/dbraw/zinc/25/32/13/1072253213.db2.gz IGINHGTVHYUNPW-LSDHHAIUSA-N 1 0 380.489 -0.127 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431238751 1072253255 /nfs/dbraw/zinc/25/32/55/1072253255.db2.gz UPQRDHKOUATOEZ-HNNXBMFYSA-N 1 0 380.489 -0.391 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431238752 1072253578 /nfs/dbraw/zinc/25/35/78/1072253578.db2.gz UPQRDHKOUATOEZ-OAHLLOKOSA-N 1 0 380.489 -0.391 20 0 GBADRO COCC(=O)N1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431290722 1072290657 /nfs/dbraw/zinc/29/06/57/1072290657.db2.gz NPOPZIMHUFKOOT-UHFFFAOYSA-N 1 0 397.520 -0.085 20 0 GBADRO CC[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)N1CCOCC1 ZINC000431294429 1072292796 /nfs/dbraw/zinc/29/27/96/1072292796.db2.gz FJUBUZAVMJGXTL-INIZCTEOSA-N 1 0 397.520 -0.085 20 0 GBADRO CC[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)N1CCOCC1 ZINC000431294430 1072292503 /nfs/dbraw/zinc/29/25/03/1072292503.db2.gz FJUBUZAVMJGXTL-MRXNPFEDSA-N 1 0 397.520 -0.085 20 0 GBADRO COC(=O)c1cn(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)nn1 ZINC000431308737 1072295470 /nfs/dbraw/zinc/29/54/70/1072295470.db2.gz MGVRYKDDVXUWGG-UHFFFAOYSA-N 1 0 395.464 -0.644 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431370345 530377918 /nfs/dbraw/zinc/37/79/18/530377918.db2.gz QKFHNCHCWRFBPD-UHFFFAOYSA-N 1 0 377.511 -0.831 20 0 GBADRO Cn1c2ccc(NC(=O)CCC(=O)N(CC[NH+](C)C)C3CC3)nc2n(C)c1=O ZINC000431372642 1072323073 /nfs/dbraw/zinc/32/30/73/1072323073.db2.gz HLCTUGJIKXSYTH-UHFFFAOYSA-N 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O=S1(=O)C[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@@H](N2CCOCC2)C1 ZINC000432774821 530380096 /nfs/dbraw/zinc/38/00/96/530380096.db2.gz FGTBSNGLHIHNST-SRVKXCTJSA-N 1 0 376.397 -0.986 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H](N2CCOCC2)C1 ZINC000432774822 530379867 /nfs/dbraw/zinc/37/98/67/530379867.db2.gz FGTBSNGLHIHNST-WOPDTQHZSA-N 1 0 376.397 -0.986 20 0 GBADRO OC1CC(CCNc2nc(N3CCOCC3)nc(NCCC3CC(O)C3)[nH+]2)C1 ZINC000432859062 1073801362 /nfs/dbraw/zinc/80/13/62/1073801362.db2.gz MBRSJIDOGKUKLY-UHFFFAOYSA-N 1 0 392.504 -0.302 20 0 GBADRO COCCNc1nc(N[C@@H]2CCOC[C@@H]2C)nc(N[C@@H]2CCOC[C@@H]2C)[nH+]1 ZINC000432861903 1073802869 /nfs/dbraw/zinc/80/28/69/1073802869.db2.gz XUZJFMGHMIFDLU-BYNSBNAKSA-N 1 0 380.493 -0.131 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000432867340 1073806272 /nfs/dbraw/zinc/80/62/72/1073806272.db2.gz OSYWVWIFROLNKZ-UHFFFAOYSA-N 1 0 393.492 0.085 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000432903290 1073839258 /nfs/dbraw/zinc/83/92/58/1073839258.db2.gz VDZWULLQTFNKKE-GOSISDBHSA-N 1 0 399.513 -0.305 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000432903292 1073839314 /nfs/dbraw/zinc/83/93/14/1073839314.db2.gz VDZWULLQTFNKKE-SFHVURJKSA-N 1 0 399.513 -0.305 20 0 GBADRO CNc1nc(N[C@@H]2CC[C@H](C(=O)OC)C2)nc(N[C@@H]2CC[C@H](C(=O)OC)C2)[nH+]1 ZINC000432943682 1073848790 /nfs/dbraw/zinc/84/87/90/1073848790.db2.gz JBIZYDMZWFWQIU-WUHRBBMRSA-N 1 0 392.460 -0.314 20 0 GBADRO COC(=O)Cn1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000432947714 1073851195 /nfs/dbraw/zinc/85/11/95/1073851195.db2.gz DTYLXEPKMUEWQH-UHFFFAOYSA-N 1 0 380.449 0.170 20 0 GBADRO CCOC(=O)Cn1nc(C)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1C ZINC000433044890 530379896 /nfs/dbraw/zinc/37/98/96/530379896.db2.gz KWXNCROJQPGFHP-UHFFFAOYSA-N 1 0 375.495 -0.015 20 0 GBADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000433047158 530379993 /nfs/dbraw/zinc/37/99/93/530379993.db2.gz JTNWJGAHRMYGCJ-CYBMUJFWSA-N 1 0 391.515 -0.074 20 0 GBADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000433047160 530379861 /nfs/dbraw/zinc/37/98/61/530379861.db2.gz JTNWJGAHRMYGCJ-ZDUSSCGKSA-N 1 0 391.515 -0.074 20 0 GBADRO CN(C)S(=O)(=O)CCC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062207 530380059 /nfs/dbraw/zinc/38/00/59/530380059.db2.gz SGSWCFQBCARWFB-UHFFFAOYSA-N 1 0 379.504 -0.074 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000433073553 1073872652 /nfs/dbraw/zinc/87/26/52/1073872652.db2.gz SNXSTRDEJMGFGE-GOSISDBHSA-N 1 0 376.501 -0.246 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000433073554 1073872518 /nfs/dbraw/zinc/87/25/18/1073872518.db2.gz SNXSTRDEJMGFGE-SFHVURJKSA-N 1 0 376.501 -0.246 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433087030 1073874681 /nfs/dbraw/zinc/87/46/81/1073874681.db2.gz BHGPNDIHZKHJNC-AWEZNQCLSA-N 1 0 390.550 -0.133 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433087032 1073874421 /nfs/dbraw/zinc/87/44/21/1073874421.db2.gz BHGPNDIHZKHJNC-CQSZACIVSA-N 1 0 390.550 -0.133 20 0 GBADRO COCn1nc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000433087149 1073874551 /nfs/dbraw/zinc/87/45/51/1073874551.db2.gz HRDIFNUNVCXSRA-AWEZNQCLSA-N 1 0 387.506 -0.030 20 0 GBADRO COCn1nc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000433087151 1073874690 /nfs/dbraw/zinc/87/46/90/1073874690.db2.gz HRDIFNUNVCXSRA-CQSZACIVSA-N 1 0 387.506 -0.030 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000433096640 1073876730 /nfs/dbraw/zinc/87/67/30/1073876730.db2.gz IPVZEJGAGLWMRE-GFCCVEGCSA-N 1 0 391.453 -0.503 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000433096641 1073876368 /nfs/dbraw/zinc/87/63/68/1073876368.db2.gz IPVZEJGAGLWMRE-LBPRGKRZSA-N 1 0 391.453 -0.503 20 0 GBADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433129025 530379876 /nfs/dbraw/zinc/37/98/76/530379876.db2.gz CFXNXBDPYDHPRP-KFWWJZLASA-N 1 0 376.523 -0.285 20 0 GBADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433129029 530380037 /nfs/dbraw/zinc/38/00/37/530380037.db2.gz CFXNXBDPYDHPRP-QLFBSQMISA-N 1 0 376.523 -0.285 20 0 GBADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433129031 530379938 /nfs/dbraw/zinc/37/99/38/530379938.db2.gz CFXNXBDPYDHPRP-RBSFLKMASA-N 1 0 376.523 -0.285 20 0 GBADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433129033 530379873 /nfs/dbraw/zinc/37/98/73/530379873.db2.gz CFXNXBDPYDHPRP-ZNMIVQPWSA-N 1 0 376.523 -0.285 20 0 GBADRO CN1CCN(C(=O)Cn2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000433171627 1073887832 /nfs/dbraw/zinc/88/78/32/1073887832.db2.gz FGKJKUYLEPCTSF-UHFFFAOYSA-N 1 0 391.520 -0.201 20 0 GBADRO CC(C)[C@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000433172837 1073890820 /nfs/dbraw/zinc/89/08/20/1073890820.db2.gz IPDQXJVVEYYYHO-HNNXBMFYSA-N 1 0 383.518 -0.120 20 0 GBADRO CC(C)[C@@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000433172839 1073891321 /nfs/dbraw/zinc/89/13/21/1073891321.db2.gz IPDQXJVVEYYYHO-OAHLLOKOSA-N 1 0 383.518 -0.120 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433187312 1073893424 /nfs/dbraw/zinc/89/34/24/1073893424.db2.gz NUPRREKWKVGJFB-HNNXBMFYSA-N 1 0 390.550 -0.037 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433187313 1073893184 /nfs/dbraw/zinc/89/31/84/1073893184.db2.gz NUPRREKWKVGJFB-OAHLLOKOSA-N 1 0 390.550 -0.037 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433190814 530380328 /nfs/dbraw/zinc/38/03/28/530380328.db2.gz RZLFWBCGXYTTJL-CHWSQXEVSA-N 1 0 376.523 -0.346 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000433190815 530380606 /nfs/dbraw/zinc/38/06/06/530380606.db2.gz RZLFWBCGXYTTJL-OLZOCXBDSA-N 1 0 376.523 -0.346 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433190816 530380403 /nfs/dbraw/zinc/38/04/03/530380403.db2.gz RZLFWBCGXYTTJL-QWHCGFSZSA-N 1 0 376.523 -0.346 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433190817 530380356 /nfs/dbraw/zinc/38/03/56/530380356.db2.gz RZLFWBCGXYTTJL-STQMWFEESA-N 1 0 376.523 -0.346 20 0 GBADRO CN1CC[NH+](CC2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)CC1 ZINC000433290853 1073902085 /nfs/dbraw/zinc/90/20/85/1073902085.db2.gz YCYZQJGTPLCIQU-UHFFFAOYSA-N 1 0 381.521 -0.096 20 0 GBADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CNC(=O)CNC(C)=O)[C@@H]1c1cnn(C)c1 ZINC000433300810 1073902794 /nfs/dbraw/zinc/90/27/94/1073902794.db2.gz FGNBBAMDJBCKME-HNAYVOBHSA-N 1 0 392.504 -0.096 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 ZINC000433323218 530380590 /nfs/dbraw/zinc/38/05/90/530380590.db2.gz VNHMXKCBXAYCGZ-UHFFFAOYSA-N 1 0 376.523 -0.866 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 ZINC000433330127 1073905084 /nfs/dbraw/zinc/90/50/84/1073905084.db2.gz IHRYTPGXWIHTTH-UHFFFAOYSA-N 1 0 390.550 -0.476 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000433341727 1073905979 /nfs/dbraw/zinc/90/59/79/1073905979.db2.gz GYGYOFIUBOWLEX-UHFFFAOYSA-N 1 0 379.490 -0.207 20 0 GBADRO CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433347135 530380564 /nfs/dbraw/zinc/38/05/64/530380564.db2.gz KVCBZCZHTBOOJC-UHFFFAOYSA-N 1 0 378.520 -0.141 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433389574 1073910473 /nfs/dbraw/zinc/91/04/73/1073910473.db2.gz LYFFYAHPOLSIBD-CYBMUJFWSA-N 1 0 378.458 -0.089 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433389577 1073910548 /nfs/dbraw/zinc/91/05/48/1073910548.db2.gz LYFFYAHPOLSIBD-ZDUSSCGKSA-N 1 0 378.458 -0.089 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433394080 530380444 /nfs/dbraw/zinc/38/04/44/530380444.db2.gz JUTZTDZYXUGMMG-GFCCVEGCSA-N 1 0 388.519 -0.689 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433394081 530380516 /nfs/dbraw/zinc/38/05/16/530380516.db2.gz JUTZTDZYXUGMMG-LBPRGKRZSA-N 1 0 388.519 -0.689 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1=O ZINC000433394347 1073910511 /nfs/dbraw/zinc/91/05/11/1073910511.db2.gz AJYIOSUTCIMMFY-CABCVRRESA-N 1 0 384.477 -0.050 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1=O ZINC000433394348 1073910068 /nfs/dbraw/zinc/91/00/68/1073910068.db2.gz AJYIOSUTCIMMFY-GJZGRUSLSA-N 1 0 384.477 -0.050 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1=O ZINC000433394349 1073910318 /nfs/dbraw/zinc/91/03/18/1073910318.db2.gz AJYIOSUTCIMMFY-HUUCEWRRSA-N 1 0 384.477 -0.050 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1=O ZINC000433394350 1073910285 /nfs/dbraw/zinc/91/02/85/1073910285.db2.gz AJYIOSUTCIMMFY-LSDHHAIUSA-N 1 0 384.477 -0.050 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433401063 1073911411 /nfs/dbraw/zinc/91/14/11/1073911411.db2.gz QUILWRRCIHDOIX-INIZCTEOSA-N 1 0 397.520 -0.133 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433401064 1073910932 /nfs/dbraw/zinc/91/09/32/1073910932.db2.gz QUILWRRCIHDOIX-MRXNPFEDSA-N 1 0 397.520 -0.133 20 0 GBADRO C[C@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000433403562 1073910093 /nfs/dbraw/zinc/91/00/93/1073910093.db2.gz PEPKQCKLQMVCAD-KBPBESRZSA-N 1 0 386.460 -0.676 20 0 GBADRO C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000433403563 1073910121 /nfs/dbraw/zinc/91/01/21/1073910121.db2.gz PEPKQCKLQMVCAD-KGLIPLIRSA-N 1 0 386.460 -0.676 20 0 GBADRO C[C@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000433403564 1073910499 /nfs/dbraw/zinc/91/04/99/1073910499.db2.gz PEPKQCKLQMVCAD-UONOGXRCSA-N 1 0 386.460 -0.676 20 0 GBADRO C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1c1nccn2cnnc12 ZINC000433403565 1073910465 /nfs/dbraw/zinc/91/04/65/1073910465.db2.gz PEPKQCKLQMVCAD-ZIAGYGMSSA-N 1 0 386.460 -0.676 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000433417174 1073910978 /nfs/dbraw/zinc/91/09/78/1073910978.db2.gz IYERXZABVNLXOD-CYBMUJFWSA-N 1 0 378.458 -0.178 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000433417175 1073910962 /nfs/dbraw/zinc/91/09/62/1073910962.db2.gz IYERXZABVNLXOD-ZDUSSCGKSA-N 1 0 378.458 -0.178 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCO1 ZINC000433446273 1073915800 /nfs/dbraw/zinc/91/58/00/1073915800.db2.gz FBJUDGUQWLLJQY-HNNXBMFYSA-N 1 0 394.480 -0.972 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCO1 ZINC000433446274 1073915817 /nfs/dbraw/zinc/91/58/17/1073915817.db2.gz FBJUDGUQWLLJQY-OAHLLOKOSA-N 1 0 394.480 -0.972 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433446629 1073916191 /nfs/dbraw/zinc/91/61/91/1073916191.db2.gz HOFCIEIOBOOYOW-INIZCTEOSA-N 1 0 397.520 -0.134 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433446630 1073915881 /nfs/dbraw/zinc/91/58/81/1073915881.db2.gz HOFCIEIOBOOYOW-MRXNPFEDSA-N 1 0 397.520 -0.134 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCO1 ZINC000433447763 1073916072 /nfs/dbraw/zinc/91/60/72/1073916072.db2.gz QFXVHKNRQKBZIA-HNNXBMFYSA-N 1 0 395.504 -0.380 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCO1 ZINC000433447764 1073916139 /nfs/dbraw/zinc/91/61/39/1073916139.db2.gz QFXVHKNRQKBZIA-OAHLLOKOSA-N 1 0 395.504 -0.380 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433448067 1073916331 /nfs/dbraw/zinc/91/63/31/1073916331.db2.gz SZWBFRRTJWDNMU-KRWDZBQOSA-N 1 0 399.536 -0.423 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433448068 1073915900 /nfs/dbraw/zinc/91/59/00/1073915900.db2.gz SZWBFRRTJWDNMU-QGZVFWFLSA-N 1 0 399.536 -0.423 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433460987 530380242 /nfs/dbraw/zinc/38/02/42/530380242.db2.gz CQYIMCWUVATTLR-AWEZNQCLSA-N 1 0 379.527 -0.381 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433460992 530380261 /nfs/dbraw/zinc/38/02/61/530380261.db2.gz CQYIMCWUVATTLR-CQSZACIVSA-N 1 0 379.527 -0.381 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCNS(C)(=O)=O)CC2)CC1 ZINC000433475632 530380957 /nfs/dbraw/zinc/38/09/57/530380957.db2.gz TUCLWZLHDYEUOQ-UHFFFAOYSA-N 1 0 375.539 -0.264 20 0 GBADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1Cl ZINC000433533818 1073939423 /nfs/dbraw/zinc/93/94/23/1073939423.db2.gz MYLANLHQJQGXBL-LLVKDONJSA-N 1 0 387.820 -0.131 20 0 GBADRO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1Cl ZINC000433533819 1073939557 /nfs/dbraw/zinc/93/95/57/1073939557.db2.gz MYLANLHQJQGXBL-NSHDSACASA-N 1 0 387.820 -0.131 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCO1 ZINC000433647509 1073958333 /nfs/dbraw/zinc/95/83/33/1073958333.db2.gz DUOAYUFXGSVFFG-CYBMUJFWSA-N 1 0 398.485 -0.110 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCO1 ZINC000433647510 1073958062 /nfs/dbraw/zinc/95/80/62/1073958062.db2.gz DUOAYUFXGSVFFG-ZDUSSCGKSA-N 1 0 398.485 -0.110 20 0 GBADRO COc1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1C(N)=O ZINC000433650473 1073957558 /nfs/dbraw/zinc/95/75/58/1073957558.db2.gz RZMZRHMHGVDLHC-GFCCVEGCSA-N 1 0 393.444 -0.255 20 0 GBADRO COc1ncc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C(N)=O ZINC000433650474 1073958531 /nfs/dbraw/zinc/95/85/31/1073958531.db2.gz RZMZRHMHGVDLHC-LBPRGKRZSA-N 1 0 393.444 -0.255 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cn(CC(=O)OC)nn2)CC1 ZINC000433681507 1073959979 /nfs/dbraw/zinc/95/99/79/1073959979.db2.gz VOXNICNWDATFID-UHFFFAOYSA-N 1 0 395.464 -0.853 20 0 GBADRO CN(CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000433693015 1073961970 /nfs/dbraw/zinc/96/19/70/1073961970.db2.gz HANUHLZXXNSWFY-HKUYNNGSSA-N 1 0 395.525 -0.142 20 0 GBADRO CN(CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000433693016 1073961719 /nfs/dbraw/zinc/96/17/19/1073961719.db2.gz HANUHLZXXNSWFY-IEBWSBKVSA-N 1 0 395.525 -0.142 20 0 GBADRO CN(CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000433693017 1073961829 /nfs/dbraw/zinc/96/18/29/1073961829.db2.gz HANUHLZXXNSWFY-MJGOQNOKSA-N 1 0 395.525 -0.142 20 0 GBADRO CN(CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000433693018 1073961982 /nfs/dbraw/zinc/96/19/82/1073961982.db2.gz HANUHLZXXNSWFY-PKOBYXMFSA-N 1 0 395.525 -0.142 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)nn1 ZINC000433700862 1073960686 /nfs/dbraw/zinc/96/06/86/1073960686.db2.gz DRSSQVUHGVHXIT-UHFFFAOYSA-N 1 0 389.416 -0.114 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000433708456 1073962767 /nfs/dbraw/zinc/96/27/67/1073962767.db2.gz RHJQLOWMTIKWLB-CQSZACIVSA-N 1 0 380.449 -0.295 20 0 GBADRO COCCNc1nc(NC[C@@H]2CCCOC2)[nH+]c(NC[C@@H]2CCCOC2)n1 ZINC000433798297 1073968818 /nfs/dbraw/zinc/96/88/18/1073968818.db2.gz GCIBBFCDLLTEAU-GJZGRUSLSA-N 1 0 380.493 -0.127 20 0 GBADRO COCCNc1nc(NC[C@H]2CCCOC2)[nH+]c(NC[C@H]2CCCOC2)n1 ZINC000433798298 1073968908 /nfs/dbraw/zinc/96/89/08/1073968908.db2.gz GCIBBFCDLLTEAU-HUUCEWRRSA-N 1 0 380.493 -0.127 20 0 GBADRO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000433809769 1073967922 /nfs/dbraw/zinc/96/79/22/1073967922.db2.gz BENJJSARRFIMEM-KBPBESRZSA-N 1 0 389.522 -0.562 20 0 GBADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000433809773 1073967644 /nfs/dbraw/zinc/96/76/44/1073967644.db2.gz BENJJSARRFIMEM-KGLIPLIRSA-N 1 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CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433947683 1073655709 /nfs/dbraw/zinc/65/57/09/1073655709.db2.gz ASVCILBQEHSHAL-QKPAOTATSA-N 1 0 391.534 -0.918 20 0 GBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433947684 1073655814 /nfs/dbraw/zinc/65/58/14/1073655814.db2.gz ASVCILBQEHSHAL-QXSJWSMHSA-N 1 0 391.534 -0.918 20 0 GBADRO O=C(CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954291 1073977962 /nfs/dbraw/zinc/97/79/62/1073977962.db2.gz RLIBIGFUOOIGDL-DZGCQCFKSA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954292 1073977669 /nfs/dbraw/zinc/97/76/69/1073977669.db2.gz RLIBIGFUOOIGDL-HIFRSBDPSA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000433954293 1073977745 /nfs/dbraw/zinc/97/77/45/1073977745.db2.gz RLIBIGFUOOIGDL-UKRRQHHQSA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000433954294 1073978151 /nfs/dbraw/zinc/97/81/51/1073978151.db2.gz RLIBIGFUOOIGDL-ZFWWWQNUSA-N 1 0 386.518 -0.004 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433959027 1073978718 /nfs/dbraw/zinc/97/87/18/1073978718.db2.gz JWDSQCDTQWTTRV-KBPBESRZSA-N 1 0 387.506 -0.704 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433959031 1073979137 /nfs/dbraw/zinc/97/91/37/1073979137.db2.gz JWDSQCDTQWTTRV-KGLIPLIRSA-N 1 0 387.506 -0.704 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433959033 1073978946 /nfs/dbraw/zinc/97/89/46/1073978946.db2.gz JWDSQCDTQWTTRV-UONOGXRCSA-N 1 0 387.506 -0.704 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433959035 1073979004 /nfs/dbraw/zinc/97/90/04/1073979004.db2.gz JWDSQCDTQWTTRV-ZIAGYGMSSA-N 1 0 387.506 -0.704 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000433960301 1073978995 /nfs/dbraw/zinc/97/89/95/1073978995.db2.gz OMWHVKNFQXJNSF-HNNXBMFYSA-N 1 0 397.497 -0.232 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000433960308 1073979032 /nfs/dbraw/zinc/97/90/32/1073979032.db2.gz OMWHVKNFQXJNSF-OAHLLOKOSA-N 1 0 397.497 -0.232 20 0 GBADRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000433961309 1073978920 /nfs/dbraw/zinc/97/89/20/1073978920.db2.gz SPYSYYLFQHTGFP-GFCCVEGCSA-N 1 0 386.474 -0.187 20 0 GBADRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000433961311 1073978585 /nfs/dbraw/zinc/97/85/85/1073978585.db2.gz SPYSYYLFQHTGFP-LBPRGKRZSA-N 1 0 386.474 -0.187 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCn1ncnn1 ZINC000433964109 1073978639 /nfs/dbraw/zinc/97/86/39/1073978639.db2.gz GEBXHSVGICXAFR-UHFFFAOYSA-N 1 0 395.489 -0.358 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101613 530381000 /nfs/dbraw/zinc/38/10/00/530381000.db2.gz JLUFCFAQMACPGD-HNNXBMFYSA-N 1 0 398.595 -0.397 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101614 530380766 /nfs/dbraw/zinc/38/07/66/530380766.db2.gz JLUFCFAQMACPGD-OAHLLOKOSA-N 1 0 398.595 -0.397 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000434138420 530381214 /nfs/dbraw/zinc/38/12/14/530381214.db2.gz XHFLGFUMLNTHRP-AWEZNQCLSA-N 1 0 384.568 -0.883 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000434138421 530381376 /nfs/dbraw/zinc/38/13/76/530381376.db2.gz XHFLGFUMLNTHRP-CQSZACIVSA-N 1 0 384.568 -0.883 20 0 GBADRO CN(CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000434169714 1072364210 /nfs/dbraw/zinc/36/42/10/1072364210.db2.gz LEPWQCKZLOUPBL-QZTJIDSGSA-N 1 0 395.525 -0.359 20 0 GBADRO CN(CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000434169716 1072364349 /nfs/dbraw/zinc/36/43/49/1072364349.db2.gz LEPWQCKZLOUPBL-ZWKOTPCHSA-N 1 0 395.525 -0.359 20 0 GBADRO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000434169919 1072364394 /nfs/dbraw/zinc/36/43/94/1072364394.db2.gz NBQZUIKTJBCHSH-GOSISDBHSA-N 1 0 376.501 -0.022 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000434182623 1072403071 /nfs/dbraw/zinc/40/30/71/1072403071.db2.gz KIXIPQBETHBWNQ-GOSISDBHSA-N 1 0 385.553 -0.261 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000434182624 1072403590 /nfs/dbraw/zinc/40/35/90/1072403590.db2.gz KIXIPQBETHBWNQ-SFHVURJKSA-N 1 0 385.553 -0.261 20 0 GBADRO C[C@](O)(CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)CN1CCOCC1 ZINC000434323027 1072619529 /nfs/dbraw/zinc/61/95/29/1072619529.db2.gz YOFPEGAYPAQWIS-FQEVSTJZSA-N 1 0 391.516 -0.207 20 0 GBADRO C[C@@](O)(CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)CN1CCOCC1 ZINC000434323029 1072619301 /nfs/dbraw/zinc/61/93/01/1072619301.db2.gz YOFPEGAYPAQWIS-HXUWFJFHSA-N 1 0 391.516 -0.207 20 0 GBADRO C[NH+]1CCN(c2cc(C(=O)NC[C@](C)(O)CN3CCOCC3)ccn2)CC1 ZINC000434328236 1072619289 /nfs/dbraw/zinc/61/92/89/1072619289.db2.gz UGRZZWTZRSJHIM-IBGZPJMESA-N 1 0 377.489 -0.354 20 0 GBADRO C[NH+]1CCN(c2cc(C(=O)NC[C@@](C)(O)CN3CCOCC3)ccn2)CC1 ZINC000434328237 1072618971 /nfs/dbraw/zinc/61/89/71/1072618971.db2.gz UGRZZWTZRSJHIM-LJQANCHMSA-N 1 0 377.489 -0.354 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434414367 1072622504 /nfs/dbraw/zinc/62/25/04/1072622504.db2.gz CNKPRGWANKKUKV-MSOLQXFVSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434414368 1072621933 /nfs/dbraw/zinc/62/19/33/1072621933.db2.gz CNKPRGWANKKUKV-QZTJIDSGSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434414369 1072621814 /nfs/dbraw/zinc/62/18/14/1072621814.db2.gz CNKPRGWANKKUKV-ROUUACIJSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434414370 1072622512 /nfs/dbraw/zinc/62/25/12/1072622512.db2.gz CNKPRGWANKKUKV-ZWKOTPCHSA-N 1 0 396.532 -0.337 20 0 GBADRO Cn1c2c(ccn2CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000434415622 1072622917 /nfs/dbraw/zinc/62/29/17/1072622917.db2.gz JUMZEJRVVDNWKK-CYBMUJFWSA-N 1 0 377.445 -0.998 20 0 GBADRO Cn1c2c(ccn2CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000434415623 1072622902 /nfs/dbraw/zinc/62/29/02/1072622902.db2.gz JUMZEJRVVDNWKK-ZDUSSCGKSA-N 1 0 377.445 -0.998 20 0 GBADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000434422279 1072623458 /nfs/dbraw/zinc/62/34/58/1072623458.db2.gz QOTAXJAQQLRUBK-DLBZAZTESA-N 1 0 382.505 -0.870 20 0 GBADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000434422280 1072622956 /nfs/dbraw/zinc/62/29/56/1072622956.db2.gz QOTAXJAQQLRUBK-IAGOWNOFSA-N 1 0 382.505 -0.870 20 0 GBADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000434422281 1072623105 /nfs/dbraw/zinc/62/31/05/1072623105.db2.gz QOTAXJAQQLRUBK-IRXDYDNUSA-N 1 0 382.505 -0.870 20 0 GBADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000434422282 1072623095 /nfs/dbraw/zinc/62/30/95/1072623095.db2.gz QOTAXJAQQLRUBK-SJORKVTESA-N 1 0 382.505 -0.870 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC1(N2CCOCC2)CC1 ZINC000434427586 1072622104 /nfs/dbraw/zinc/62/21/04/1072622104.db2.gz CMOMZSRHHOWKPZ-UHFFFAOYSA-N 1 0 383.537 -0.460 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434438412 1072624200 /nfs/dbraw/zinc/62/42/00/1072624200.db2.gz SCYHWCWDYRDQOA-HNNXBMFYSA-N 1 0 388.534 -0.046 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434438413 1072624056 /nfs/dbraw/zinc/62/40/56/1072624056.db2.gz SCYHWCWDYRDQOA-OAHLLOKOSA-N 1 0 388.534 -0.046 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)o1 ZINC000434447136 1072624296 /nfs/dbraw/zinc/62/42/96/1072624296.db2.gz YGRKBNBRXNNEDB-GFCCVEGCSA-N 1 0 384.458 -0.210 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)o1 ZINC000434447138 1072624266 /nfs/dbraw/zinc/62/42/66/1072624266.db2.gz YGRKBNBRXNNEDB-LBPRGKRZSA-N 1 0 384.458 -0.210 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c[nH]1 ZINC000434447185 1072624230 /nfs/dbraw/zinc/62/42/30/1072624230.db2.gz UCUZNDROAIAJFS-GFCCVEGCSA-N 1 0 383.474 -0.475 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c[nH]1 ZINC000434447192 1072624147 /nfs/dbraw/zinc/62/41/47/1072624147.db2.gz UCUZNDROAIAJFS-LBPRGKRZSA-N 1 0 383.474 -0.475 20 0 GBADRO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000434451740 530381500 /nfs/dbraw/zinc/38/15/00/530381500.db2.gz GYKBZTLXRLAUFN-JTQLQIEISA-N 1 0 377.488 -0.019 20 0 GBADRO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000434451741 530381633 /nfs/dbraw/zinc/38/16/33/530381633.db2.gz GYKBZTLXRLAUFN-SNVBAGLBSA-N 1 0 377.488 -0.019 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1C ZINC000434454115 1072625942 /nfs/dbraw/zinc/62/59/42/1072625942.db2.gz MSFSARWDFAHACA-AWEZNQCLSA-N 1 0 387.506 -0.640 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434454218 1072625885 /nfs/dbraw/zinc/62/58/85/1072625885.db2.gz YXYVXXBMWRDPPQ-GXTWGEPZSA-N 1 0 388.490 -0.079 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434454220 1072625869 /nfs/dbraw/zinc/62/58/69/1072625869.db2.gz YXYVXXBMWRDPPQ-JSGCOSHPSA-N 1 0 388.490 -0.079 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000434480008 1072625826 /nfs/dbraw/zinc/62/58/26/1072625826.db2.gz LPVGXHRSTHAGBI-KRWDZBQOSA-N 1 0 377.489 -0.402 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000434480009 1072626010 /nfs/dbraw/zinc/62/60/10/1072626010.db2.gz LPVGXHRSTHAGBI-QGZVFWFLSA-N 1 0 377.489 -0.402 20 0 GBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000434509599 1072627561 /nfs/dbraw/zinc/62/75/61/1072627561.db2.gz SCSPPYFJAXCPAR-NEPJUHHUSA-N 1 0 384.458 -0.258 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000434558995 1072629551 /nfs/dbraw/zinc/62/95/51/1072629551.db2.gz XSUOWOXSKZEPDM-AWEZNQCLSA-N 1 0 376.461 0.009 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000434558998 1072629578 /nfs/dbraw/zinc/62/95/78/1072629578.db2.gz XSUOWOXSKZEPDM-CQSZACIVSA-N 1 0 376.461 0.009 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)CC1 ZINC000434566151 1072629474 /nfs/dbraw/zinc/62/94/74/1072629474.db2.gz LYGHKRXNNSQLSL-CALCHBBNSA-N 1 0 376.457 -0.281 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000434566153 1072629660 /nfs/dbraw/zinc/62/96/60/1072629660.db2.gz LYGHKRXNNSQLSL-IAGOWNOFSA-N 1 0 376.457 -0.281 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)CC1 ZINC000434566155 1072629349 /nfs/dbraw/zinc/62/93/49/1072629349.db2.gz LYGHKRXNNSQLSL-IRXDYDNUSA-N 1 0 376.457 -0.281 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1NC(=O)CC[NH+](C)C ZINC000434570918 1072630449 /nfs/dbraw/zinc/63/04/49/1072630449.db2.gz VAUGYVLHWSKBHO-GASCZTMLSA-N 1 0 378.429 -0.612 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1NC(=O)CC[NH+](C)C ZINC000434570921 1072630140 /nfs/dbraw/zinc/63/01/40/1072630140.db2.gz VAUGYVLHWSKBHO-GJZGRUSLSA-N 1 0 378.429 -0.612 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1NC(=O)CC[NH+](C)C ZINC000434570924 1072630373 /nfs/dbraw/zinc/63/03/73/1072630373.db2.gz VAUGYVLHWSKBHO-HUUCEWRRSA-N 1 0 378.429 -0.612 20 0 GBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2CC1=O ZINC000434573166 1072630214 /nfs/dbraw/zinc/63/02/14/1072630214.db2.gz HTNJYIKILLUJEL-HNNXBMFYSA-N 1 0 387.440 -0.400 20 0 GBADRO CN1c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2CC1=O ZINC000434573169 1072630263 /nfs/dbraw/zinc/63/02/63/1072630263.db2.gz HTNJYIKILLUJEL-OAHLLOKOSA-N 1 0 387.440 -0.400 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000434575815 1072631551 /nfs/dbraw/zinc/63/15/51/1072631551.db2.gz PFKUROWVKXWISE-AAEUAGOBSA-N 1 0 391.394 0.545 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCNS(C)(=O)=O)cccc21 ZINC000434595093 1072633624 /nfs/dbraw/zinc/63/36/24/1072633624.db2.gz JKZLJKPNPIJESG-CYBMUJFWSA-N 1 0 384.458 -0.324 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCNS(C)(=O)=O)cccc21 ZINC000434595096 1072633249 /nfs/dbraw/zinc/63/32/49/1072633249.db2.gz JKZLJKPNPIJESG-ZDUSSCGKSA-N 1 0 384.458 -0.324 20 0 GBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC[NH+](C)C)n2)c1C ZINC000434595356 1072633401 /nfs/dbraw/zinc/63/34/01/1072633401.db2.gz HVJUBKHGCRJOAK-UHFFFAOYSA-N 1 0 375.433 -0.037 20 0 GBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434598765 1072633637 /nfs/dbraw/zinc/63/36/37/1072633637.db2.gz VSYCQRNUQBIVMS-UHFFFAOYSA-N 1 0 389.460 0.353 20 0 GBADRO COCCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434608353 1072633611 /nfs/dbraw/zinc/63/36/11/1072633611.db2.gz RXUFRXCPLCZYJC-AWEZNQCLSA-N 1 0 378.429 -0.111 20 0 GBADRO COCCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434608355 1072633280 /nfs/dbraw/zinc/63/32/80/1072633280.db2.gz RXUFRXCPLCZYJC-CQSZACIVSA-N 1 0 378.429 -0.111 20 0 GBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCCC[NH+](C)C)n2)c1C ZINC000434660311 1072637600 /nfs/dbraw/zinc/63/76/00/1072637600.db2.gz CDMDRFCWDMWLSK-UHFFFAOYSA-N 1 0 389.460 0.353 20 0 GBADRO CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]CC1 ZINC000434675494 1072638396 /nfs/dbraw/zinc/63/83/96/1072638396.db2.gz LBIKSRSFXIQNJD-GFCCVEGCSA-N 1 0 380.470 -0.055 20 0 GBADRO CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]CC1 ZINC000434675495 1072638358 /nfs/dbraw/zinc/63/83/58/1072638358.db2.gz LBIKSRSFXIQNJD-LBPRGKRZSA-N 1 0 380.470 -0.055 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000434676174 1072638791 /nfs/dbraw/zinc/63/87/91/1072638791.db2.gz PQNDXCKRBBECHW-UHFFFAOYSA-N 1 0 377.489 -0.370 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000434677489 1072638406 /nfs/dbraw/zinc/63/84/06/1072638406.db2.gz XDTFYFVGTCEXBK-UHFFFAOYSA-N 1 0 390.423 -0.554 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000434682132 1072638844 /nfs/dbraw/zinc/63/88/44/1072638844.db2.gz VARLBARNUAGMSV-UHFFFAOYSA-N 1 0 397.426 -0.275 20 0 GBADRO CC1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[NH2+]CC1 ZINC000434687591 1072638701 /nfs/dbraw/zinc/63/87/01/1072638701.db2.gz FGURQMGJNGEMFV-UHFFFAOYSA-N 1 0 380.470 -0.321 20 0 GBADRO CC1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC[NH2+]CC1 ZINC000434694295 1072639479 /nfs/dbraw/zinc/63/94/79/1072639479.db2.gz KQEGFXARQKSTMI-UHFFFAOYSA-N 1 0 380.470 -0.321 20 0 GBADRO CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000434697690 1072639448 /nfs/dbraw/zinc/63/94/48/1072639448.db2.gz APVQWNWHEJVIAM-HNNXBMFYSA-N 1 0 388.534 -0.106 20 0 GBADRO CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000434697691 1072639326 /nfs/dbraw/zinc/63/93/26/1072639326.db2.gz APVQWNWHEJVIAM-OAHLLOKOSA-N 1 0 388.534 -0.106 20 0 GBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000434704007 1072639257 /nfs/dbraw/zinc/63/92/57/1072639257.db2.gz CFEGQPJNWFUZGC-CABCVRRESA-N 1 0 388.534 -0.106 20 0 GBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000434704008 1072639642 /nfs/dbraw/zinc/63/96/42/1072639642.db2.gz CFEGQPJNWFUZGC-GJZGRUSLSA-N 1 0 388.534 -0.106 20 0 GBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000434704009 1072639475 /nfs/dbraw/zinc/63/94/75/1072639475.db2.gz CFEGQPJNWFUZGC-HUUCEWRRSA-N 1 0 388.534 -0.106 20 0 GBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000434704010 1072639646 /nfs/dbraw/zinc/63/96/46/1072639646.db2.gz CFEGQPJNWFUZGC-LSDHHAIUSA-N 1 0 388.534 -0.106 20 0 GBADRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000434705171 1072639728 /nfs/dbraw/zinc/63/97/28/1072639728.db2.gz DVHKSFSNPAUGKF-MAUKXSAKSA-N 1 0 389.452 -0.046 20 0 GBADRO C[C@H](C(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])n1cccn1 ZINC000434708294 1072639452 /nfs/dbraw/zinc/63/94/52/1072639452.db2.gz BTXNVBLTKAYHOS-CABCVRRESA-N 1 0 378.477 -0.251 20 0 GBADRO C[C@@H](C(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])n1cccn1 ZINC000434708295 1072639638 /nfs/dbraw/zinc/63/96/38/1072639638.db2.gz BTXNVBLTKAYHOS-GJZGRUSLSA-N 1 0 378.477 -0.251 20 0 GBADRO C[C@H](C(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])n1cccn1 ZINC000434708296 1072639504 /nfs/dbraw/zinc/63/95/04/1072639504.db2.gz BTXNVBLTKAYHOS-HUUCEWRRSA-N 1 0 378.477 -0.251 20 0 GBADRO C[C@@H](C(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])n1cccn1 ZINC000434708297 1072639510 /nfs/dbraw/zinc/63/95/10/1072639510.db2.gz BTXNVBLTKAYHOS-LSDHHAIUSA-N 1 0 378.477 -0.251 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000434709711 530381714 /nfs/dbraw/zinc/38/17/14/530381714.db2.gz YCUDPPVIAUHONL-GWCFXTLKSA-N 1 0 388.515 -0.081 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000434709712 530381623 /nfs/dbraw/zinc/38/16/23/530381623.db2.gz YCUDPPVIAUHONL-GXFFZTMASA-N 1 0 388.515 -0.081 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000434709713 530381850 /nfs/dbraw/zinc/38/18/50/530381850.db2.gz YCUDPPVIAUHONL-MFKMUULPSA-N 1 0 388.515 -0.081 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000434709714 530381822 /nfs/dbraw/zinc/38/18/22/530381822.db2.gz YCUDPPVIAUHONL-ZWNOBZJWSA-N 1 0 388.515 -0.081 20 0 GBADRO CN(CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(=O)(=O)c1cccnc1 ZINC000434709816 1072639594 /nfs/dbraw/zinc/63/95/94/1072639594.db2.gz YRAUQUHGXKTSRR-AWEZNQCLSA-N 1 0 397.501 -0.452 20 0 GBADRO CN(CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(=O)(=O)c1cccnc1 ZINC000434709819 1072639635 /nfs/dbraw/zinc/63/96/35/1072639635.db2.gz YRAUQUHGXKTSRR-CQSZACIVSA-N 1 0 397.501 -0.452 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000434709947 1072639538 /nfs/dbraw/zinc/63/95/38/1072639538.db2.gz HZAJNGGDFXBXJY-INIZCTEOSA-N 1 0 391.472 -0.440 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000434709948 1072639297 /nfs/dbraw/zinc/63/92/97/1072639297.db2.gz HZAJNGGDFXBXJY-MRXNPFEDSA-N 1 0 391.472 -0.440 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)s1 ZINC000434710584 530381547 /nfs/dbraw/zinc/38/15/47/530381547.db2.gz YJEZREMTOBZKCU-GHMZBOCLSA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)s1 ZINC000434710585 530382259 /nfs/dbraw/zinc/38/22/59/530382259.db2.gz YJEZREMTOBZKCU-MNOVXSKESA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)s1 ZINC000434710586 530382204 /nfs/dbraw/zinc/38/22/04/530382204.db2.gz YJEZREMTOBZKCU-QWRGUYRKSA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)s1 ZINC000434710587 530382192 /nfs/dbraw/zinc/38/21/92/530382192.db2.gz YJEZREMTOBZKCU-WDEREUQCSA-N 1 0 388.515 -0.129 20 0 GBADRO NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000434710847 1072640387 /nfs/dbraw/zinc/64/03/87/1072640387.db2.gz KIQXSCLCTDTMIO-HNNXBMFYSA-N 1 0 382.486 -0.065 20 0 GBADRO NS(=O)(=O)Cc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000434710848 1072640563 /nfs/dbraw/zinc/64/05/63/1072640563.db2.gz KIQXSCLCTDTMIO-OAHLLOKOSA-N 1 0 382.486 -0.065 20 0 GBADRO NS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000434712364 1072640554 /nfs/dbraw/zinc/64/05/54/1072640554.db2.gz VDWWXMKRNUPYSF-HNNXBMFYSA-N 1 0 382.486 -0.065 20 0 GBADRO NS(=O)(=O)Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000434712365 1072640482 /nfs/dbraw/zinc/64/04/82/1072640482.db2.gz VDWWXMKRNUPYSF-OAHLLOKOSA-N 1 0 382.486 -0.065 20 0 GBADRO Cn1c2ncc(C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2c(=O)[nH]c1=O ZINC000434713268 1072640628 /nfs/dbraw/zinc/64/06/28/1072640628.db2.gz YYOLFZFXGPDEBU-GFCCVEGCSA-N 1 0 388.428 -0.506 20 0 GBADRO Cn1c2ncc(C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])cc2c(=O)[nH]c1=O ZINC000434713271 1072640641 /nfs/dbraw/zinc/64/06/41/1072640641.db2.gz YYOLFZFXGPDEBU-LBPRGKRZSA-N 1 0 388.428 -0.506 20 0 GBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)n2)c1C ZINC000434718324 1072641223 /nfs/dbraw/zinc/64/12/23/1072641223.db2.gz MNJPNNKFDPZQSP-GFCCVEGCSA-N 1 0 389.460 0.352 20 0 GBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)n2)c1C ZINC000434718325 1072641449 /nfs/dbraw/zinc/64/14/49/1072641449.db2.gz MNJPNNKFDPZQSP-LBPRGKRZSA-N 1 0 389.460 0.352 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000434734656 1072643522 /nfs/dbraw/zinc/64/35/22/1072643522.db2.gz GGNLYFKWUITAHY-IBGZPJMESA-N 1 0 379.505 -0.743 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000434734658 1072643501 /nfs/dbraw/zinc/64/35/01/1072643501.db2.gz GGNLYFKWUITAHY-LJQANCHMSA-N 1 0 379.505 -0.743 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000434745437 1072643719 /nfs/dbraw/zinc/64/37/19/1072643719.db2.gz KHRQCQGLDFJWGL-IBGZPJMESA-N 1 0 398.471 -0.776 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000434745440 1072643834 /nfs/dbraw/zinc/64/38/34/1072643834.db2.gz KHRQCQGLDFJWGL-LJQANCHMSA-N 1 0 398.471 -0.776 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000434752887 1072643600 /nfs/dbraw/zinc/64/36/00/1072643600.db2.gz DCVDLLKAOTUZNH-GOSISDBHSA-N 1 0 394.497 -0.405 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000434752889 1072643552 /nfs/dbraw/zinc/64/35/52/1072643552.db2.gz DCVDLLKAOTUZNH-SFHVURJKSA-N 1 0 394.497 -0.405 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C[C@@H](C)O1 ZINC000434754457 530198533 /nfs/dbraw/zinc/19/85/33/530198533.db2.gz GGWQRLAKWRCZLI-QBPKDAKJSA-N 1 0 375.535 -0.044 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C[C@H](C)O1 ZINC000434754460 530198691 /nfs/dbraw/zinc/19/86/91/530198691.db2.gz GGWQRLAKWRCZLI-VVLHAWIVSA-N 1 0 375.535 -0.044 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C[C@@H](C)O1 ZINC000434754462 530198582 /nfs/dbraw/zinc/19/85/82/530198582.db2.gz GGWQRLAKWRCZLI-WCXIOVBPSA-N 1 0 375.535 -0.044 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C[C@H](C)O1 ZINC000434754463 530198482 /nfs/dbraw/zinc/19/84/82/530198482.db2.gz GGWQRLAKWRCZLI-YYIAUSFCSA-N 1 0 375.535 -0.044 20 0 GBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000434754595 1072643437 /nfs/dbraw/zinc/64/34/37/1072643437.db2.gz UXGSLVPKFIAZRP-ACJLOTCBSA-N 1 0 394.497 -0.407 20 0 GBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000434754596 1072643461 /nfs/dbraw/zinc/64/34/61/1072643461.db2.gz UXGSLVPKFIAZRP-FZKQIMNGSA-N 1 0 394.497 -0.407 20 0 GBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000434754597 1072643577 /nfs/dbraw/zinc/64/35/77/1072643577.db2.gz UXGSLVPKFIAZRP-SCLBCKFNSA-N 1 0 394.497 -0.407 20 0 GBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000434754598 1072643661 /nfs/dbraw/zinc/64/36/61/1072643661.db2.gz UXGSLVPKFIAZRP-UGSOOPFHSA-N 1 0 394.497 -0.407 20 0 GBADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774478 1072644642 /nfs/dbraw/zinc/64/46/42/1072644642.db2.gz HKYYUGFSPGCKCN-ACJLOTCBSA-N 1 0 387.396 -0.462 20 0 GBADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774481 1072644288 /nfs/dbraw/zinc/64/42/88/1072644288.db2.gz HKYYUGFSPGCKCN-FZKQIMNGSA-N 1 0 387.396 -0.462 20 0 GBADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774483 1072644792 /nfs/dbraw/zinc/64/47/92/1072644792.db2.gz HKYYUGFSPGCKCN-SCLBCKFNSA-N 1 0 387.396 -0.462 20 0 GBADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C2)N1 ZINC000434774485 1072644187 /nfs/dbraw/zinc/64/41/87/1072644187.db2.gz HKYYUGFSPGCKCN-UGSOOPFHSA-N 1 0 387.396 -0.462 20 0 GBADRO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000434782690 1072645596 /nfs/dbraw/zinc/64/55/96/1072645596.db2.gz HDFQQYSVNKGRIA-GOSISDBHSA-N 1 0 389.412 -0.762 20 0 GBADRO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000434782691 1072645649 /nfs/dbraw/zinc/64/56/49/1072645649.db2.gz HDFQQYSVNKGRIA-SFHVURJKSA-N 1 0 389.412 -0.762 20 0 GBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000434787041 1072645268 /nfs/dbraw/zinc/64/52/68/1072645268.db2.gz TVJCCDPVJFGFOA-CVEARBPZSA-N 1 0 384.521 -0.171 20 0 GBADRO COC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000434787048 1072645734 /nfs/dbraw/zinc/64/57/34/1072645734.db2.gz TVJCCDPVJFGFOA-HOTGVXAUSA-N 1 0 384.521 -0.171 20 0 GBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000434787050 1072645670 /nfs/dbraw/zinc/64/56/70/1072645670.db2.gz TVJCCDPVJFGFOA-HZPDHXFCSA-N 1 0 384.521 -0.171 20 0 GBADRO COC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000434787053 1072645579 /nfs/dbraw/zinc/64/55/79/1072645579.db2.gz TVJCCDPVJFGFOA-JKSUJKDBSA-N 1 0 384.521 -0.171 20 0 GBADRO COCCN(C(=O)C[NH2+][C@H](COC)[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000434797832 530382080 /nfs/dbraw/zinc/38/20/80/530382080.db2.gz TYSVNUSCSKZIDY-KFWWJZLASA-N 1 0 378.491 -0.568 20 0 GBADRO COCCN(C(=O)C[NH2+][C@H](COC)[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000434797833 530382241 /nfs/dbraw/zinc/38/22/41/530382241.db2.gz TYSVNUSCSKZIDY-RBSFLKMASA-N 1 0 378.491 -0.568 20 0 GBADRO COCCN(C(=O)C[NH2+][C@H](COC)[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000434797834 530382179 /nfs/dbraw/zinc/38/21/79/530382179.db2.gz TYSVNUSCSKZIDY-RRFJBIMHSA-N 1 0 378.491 -0.568 20 0 GBADRO COCCN(C(=O)C[NH2+][C@H](COC)[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000434797835 530382132 /nfs/dbraw/zinc/38/21/32/530382132.db2.gz TYSVNUSCSKZIDY-ZNMIVQPWSA-N 1 0 378.491 -0.568 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC(=O)N3CCOCC3)cccc21 ZINC000434832076 1072647379 /nfs/dbraw/zinc/64/73/79/1072647379.db2.gz ZLZRBQCEPYDAKU-HNNXBMFYSA-N 1 0 390.440 -0.015 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC(=O)N3CCOCC3)cccc21 ZINC000434832077 1072647741 /nfs/dbraw/zinc/64/77/41/1072647741.db2.gz ZLZRBQCEPYDAKU-OAHLLOKOSA-N 1 0 390.440 -0.015 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCC(=O)NC(N)=O)cccc21 ZINC000434833535 1072647776 /nfs/dbraw/zinc/64/77/76/1072647776.db2.gz KYHPGAIBJZKIKT-GFCCVEGCSA-N 1 0 377.401 -0.289 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCC(=O)NC(N)=O)cccc21 ZINC000434833536 1072647186 /nfs/dbraw/zinc/64/71/86/1072647186.db2.gz KYHPGAIBJZKIKT-LBPRGKRZSA-N 1 0 377.401 -0.289 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cccc21 ZINC000434841593 1072647153 /nfs/dbraw/zinc/64/71/53/1072647153.db2.gz MNHDEMACIDNEIO-KBPBESRZSA-N 1 0 376.413 -0.277 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cccc21 ZINC000434841594 1072647338 /nfs/dbraw/zinc/64/73/38/1072647338.db2.gz MNHDEMACIDNEIO-KGLIPLIRSA-N 1 0 376.413 -0.277 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cccc21 ZINC000434841595 1072648321 /nfs/dbraw/zinc/64/83/21/1072648321.db2.gz MNHDEMACIDNEIO-UONOGXRCSA-N 1 0 376.413 -0.277 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cccc21 ZINC000434841596 1072648207 /nfs/dbraw/zinc/64/82/07/1072648207.db2.gz MNHDEMACIDNEIO-ZIAGYGMSSA-N 1 0 376.413 -0.277 20 0 GBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(c3cncc4ncnn43)CC2)C[C@@H](C)O1 ZINC000434850439 1073663725 /nfs/dbraw/zinc/66/37/25/1073663725.db2.gz JSRHOQLNQRRBQJ-BZUAXINKSA-N 1 0 375.477 -0.284 20 0 GBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3cncc4ncnn43)CC2)C[C@@H](C)O1 ZINC000434850440 1073664088 /nfs/dbraw/zinc/66/40/88/1073664088.db2.gz JSRHOQLNQRRBQJ-OAGGEKHMSA-N 1 0 375.477 -0.284 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(c3cncc4ncnn43)CC2)C[C@H](C)O1 ZINC000434850441 1073663968 /nfs/dbraw/zinc/66/39/68/1073663968.db2.gz JSRHOQLNQRRBQJ-OWCLPIDISA-N 1 0 375.477 -0.284 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3cncc4ncnn43)CC2)C[C@H](C)O1 ZINC000434850442 1073663874 /nfs/dbraw/zinc/66/38/74/1073663874.db2.gz JSRHOQLNQRRBQJ-XHSDSOJGSA-N 1 0 375.477 -0.284 20 0 GBADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000434850862 530382091 /nfs/dbraw/zinc/38/20/91/530382091.db2.gz MDKOJOFUPHEDHG-SECBINFHSA-N 1 0 389.400 -0.730 20 0 GBADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000434850863 530381958 /nfs/dbraw/zinc/38/19/58/530381958.db2.gz MDKOJOFUPHEDHG-VIFPVBQESA-N 1 0 389.400 -0.730 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)cn1 ZINC000434861025 530382052 /nfs/dbraw/zinc/38/20/52/530382052.db2.gz KGDZKVQPNJKWJV-CYBMUJFWSA-N 1 0 387.531 -0.216 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)cn1 ZINC000434861026 530382264 /nfs/dbraw/zinc/38/22/64/530382264.db2.gz KGDZKVQPNJKWJV-ZDUSSCGKSA-N 1 0 387.531 -0.216 20 0 GBADRO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000434864244 530382197 /nfs/dbraw/zinc/38/21/97/530382197.db2.gz GYFNLUFKOSXPLX-AWEZNQCLSA-N 1 0 392.547 -0.761 20 0 GBADRO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000434864245 530381975 /nfs/dbraw/zinc/38/19/75/530381975.db2.gz GYFNLUFKOSXPLX-CQSZACIVSA-N 1 0 392.547 -0.761 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000434866286 530382002 /nfs/dbraw/zinc/38/20/02/530382002.db2.gz BSCXKMHVRHHDQF-GFCCVEGCSA-N 1 0 386.499 -0.256 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000434866287 530382023 /nfs/dbraw/zinc/38/20/23/530382023.db2.gz BSCXKMHVRHHDQF-LBPRGKRZSA-N 1 0 386.499 -0.256 20 0 GBADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1C(N)=O ZINC000434885657 1072650792 /nfs/dbraw/zinc/65/07/92/1072650792.db2.gz JIDPELRORAVCDL-GOSISDBHSA-N 1 0 380.445 -0.060 20 0 GBADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1C(N)=O ZINC000434885658 1072651009 /nfs/dbraw/zinc/65/10/09/1072651009.db2.gz JIDPELRORAVCDL-SFHVURJKSA-N 1 0 380.445 -0.060 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000434909797 1072651624 /nfs/dbraw/zinc/65/16/24/1072651624.db2.gz QIQOVQDRTCCXGH-ACJLOTCBSA-N 1 0 381.477 -0.186 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000434909798 1072651848 /nfs/dbraw/zinc/65/18/48/1072651848.db2.gz QIQOVQDRTCCXGH-FZKQIMNGSA-N 1 0 381.477 -0.186 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000434909799 1072651447 /nfs/dbraw/zinc/65/14/47/1072651447.db2.gz QIQOVQDRTCCXGH-SCLBCKFNSA-N 1 0 381.477 -0.186 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000434909800 1072651581 /nfs/dbraw/zinc/65/15/81/1072651581.db2.gz QIQOVQDRTCCXGH-UGSOOPFHSA-N 1 0 381.477 -0.186 20 0 GBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N(C)CC[NH+](C)C)n2)c1C ZINC000434963820 1072654904 /nfs/dbraw/zinc/65/49/04/1072654904.db2.gz TZPAYSDZZZTBIO-UHFFFAOYSA-N 1 0 389.460 0.305 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cccc21 ZINC000434970284 1072656035 /nfs/dbraw/zinc/65/60/35/1072656035.db2.gz YAHCJKGKMCSXDX-HNNXBMFYSA-N 1 0 390.440 -0.327 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cccc21 ZINC000434970285 1072656138 /nfs/dbraw/zinc/65/61/38/1072656138.db2.gz YAHCJKGKMCSXDX-OAHLLOKOSA-N 1 0 390.440 -0.327 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)C1 ZINC000434979739 1072656626 /nfs/dbraw/zinc/65/66/26/1072656626.db2.gz WMENLGONWIXPSN-BBWFWOEESA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN2CCOCC2)C1 ZINC000434979740 1072657061 /nfs/dbraw/zinc/65/70/61/1072657061.db2.gz WMENLGONWIXPSN-BRWVUGGUSA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN2CCOCC2)C1 ZINC000434979741 1072657193 /nfs/dbraw/zinc/65/71/93/1072657193.db2.gz WMENLGONWIXPSN-GVDBMIGSSA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)C1 ZINC000434979742 1072656709 /nfs/dbraw/zinc/65/67/09/1072656709.db2.gz WMENLGONWIXPSN-ZACQAIPSSA-N 1 0 385.505 -0.199 20 0 GBADRO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)CN1CCOCC1 ZINC000434982802 1072654939 /nfs/dbraw/zinc/65/49/39/1072654939.db2.gz NFJHYNISQGAFBG-KRWDZBQOSA-N 1 0 392.504 -0.860 20 0 GBADRO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)CN1CCOCC1 ZINC000434982803 1072654999 /nfs/dbraw/zinc/65/49/99/1072654999.db2.gz NFJHYNISQGAFBG-QGZVFWFLSA-N 1 0 392.504 -0.860 20 0 GBADRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000434998128 1072658666 /nfs/dbraw/zinc/65/86/66/1072658666.db2.gz BHYDOILQGIAKIO-DOTOQJQBSA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000434998129 1072659034 /nfs/dbraw/zinc/65/90/34/1072659034.db2.gz BHYDOILQGIAKIO-NVXWUHKLSA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000434998130 1072659063 /nfs/dbraw/zinc/65/90/63/1072659063.db2.gz BHYDOILQGIAKIO-RDJZCZTQSA-N 1 0 385.505 -0.199 20 0 GBADRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC000434998131 1072659203 /nfs/dbraw/zinc/65/92/03/1072659203.db2.gz BHYDOILQGIAKIO-WBVHZDCISA-N 1 0 385.505 -0.199 20 0 GBADRO CN1C(=O)Cc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000435007480 1072659160 /nfs/dbraw/zinc/65/91/60/1072659160.db2.gz HTEKEXFNYDNIJB-UHFFFAOYSA-N 1 0 392.456 -0.457 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cccc21 ZINC000435014631 1072659740 /nfs/dbraw/zinc/65/97/40/1072659740.db2.gz CDCZICAHYXOXBF-BXUZGUMPSA-N 1 0 396.469 -0.100 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cccc21 ZINC000435014632 1072659933 /nfs/dbraw/zinc/65/99/33/1072659933.db2.gz CDCZICAHYXOXBF-FZMZJTMJSA-N 1 0 396.469 -0.100 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cccc21 ZINC000435014633 1072659945 /nfs/dbraw/zinc/65/99/45/1072659945.db2.gz CDCZICAHYXOXBF-RISCZKNCSA-N 1 0 396.469 -0.100 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cccc21 ZINC000435014634 1072659620 /nfs/dbraw/zinc/65/96/20/1072659620.db2.gz CDCZICAHYXOXBF-SMDDNHRTSA-N 1 0 396.469 -0.100 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)S(N)(=O)=O ZINC000435030803 1072660441 /nfs/dbraw/zinc/66/04/41/1072660441.db2.gz VSAJSBNGPDHYOT-GWCFXTLKSA-N 1 0 384.458 -0.197 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)S(N)(=O)=O ZINC000435030804 1072660468 /nfs/dbraw/zinc/66/04/68/1072660468.db2.gz VSAJSBNGPDHYOT-GXFFZTMASA-N 1 0 384.458 -0.197 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)S(N)(=O)=O ZINC000435030805 1072660490 /nfs/dbraw/zinc/66/04/90/1072660490.db2.gz VSAJSBNGPDHYOT-MFKMUULPSA-N 1 0 384.458 -0.197 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)S(N)(=O)=O ZINC000435030806 1072660750 /nfs/dbraw/zinc/66/07/50/1072660750.db2.gz VSAJSBNGPDHYOT-ZWNOBZJWSA-N 1 0 384.458 -0.197 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435040337 1072659832 /nfs/dbraw/zinc/65/98/32/1072659832.db2.gz LAXVWYYPXQKHIT-CYBMUJFWSA-N 1 0 384.458 -0.324 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435040339 1072659710 /nfs/dbraw/zinc/65/97/10/1072659710.db2.gz LAXVWYYPXQKHIT-ZDUSSCGKSA-N 1 0 384.458 -0.324 20 0 GBADRO Cn1ccnc(N2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)c1=O ZINC000435046561 1072660568 /nfs/dbraw/zinc/66/05/68/1072660568.db2.gz UFSKOBXNJWMEKO-UHFFFAOYSA-N 1 0 390.366 -0.320 20 0 GBADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1C(N)=O ZINC000435105732 1072665229 /nfs/dbraw/zinc/66/52/29/1072665229.db2.gz XGSRREGRIGBZMC-GOSISDBHSA-N 1 0 378.429 -0.306 20 0 GBADRO CC(C)Oc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1C(N)=O ZINC000435105733 1072665269 /nfs/dbraw/zinc/66/52/69/1072665269.db2.gz XGSRREGRIGBZMC-SFHVURJKSA-N 1 0 378.429 -0.306 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCO1 ZINC000435115928 1072666047 /nfs/dbraw/zinc/66/60/47/1072666047.db2.gz LBQUAIOPTNNJFK-CABCVRRESA-N 1 0 390.440 -0.016 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCO1 ZINC000435115929 1072666154 /nfs/dbraw/zinc/66/61/54/1072666154.db2.gz LBQUAIOPTNNJFK-GJZGRUSLSA-N 1 0 390.440 -0.016 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCO1 ZINC000435115930 1072665935 /nfs/dbraw/zinc/66/59/35/1072665935.db2.gz LBQUAIOPTNNJFK-HUUCEWRRSA-N 1 0 390.440 -0.016 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCO1 ZINC000435115931 1072666131 /nfs/dbraw/zinc/66/61/31/1072666131.db2.gz LBQUAIOPTNNJFK-LSDHHAIUSA-N 1 0 390.440 -0.016 20 0 GBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCN3CCNC(=O)C3)cccc21 ZINC000435118412 1072665735 /nfs/dbraw/zinc/66/57/35/1072665735.db2.gz YFDHJXVUNUJNCW-HNNXBMFYSA-N 1 0 389.456 -0.442 20 0 GBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCN3CCNC(=O)C3)cccc21 ZINC000435118415 1072665927 /nfs/dbraw/zinc/66/59/27/1072665927.db2.gz YFDHJXVUNUJNCW-OAHLLOKOSA-N 1 0 389.456 -0.442 20 0 GBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000435184637 1072671447 /nfs/dbraw/zinc/67/14/47/1072671447.db2.gz SUFXDGZCFNUAOL-HNNXBMFYSA-N 1 0 384.477 -0.192 20 0 GBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000435184638 1072671707 /nfs/dbraw/zinc/67/17/07/1072671707.db2.gz 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Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnn(CC(N)=O)c2)o1 ZINC000437521473 1072822626 /nfs/dbraw/zinc/82/26/26/1072822626.db2.gz FDPUCOMCAPSAMQ-UHFFFAOYSA-N 1 0 376.417 -0.201 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)CC1=O ZINC000437681907 1072837935 /nfs/dbraw/zinc/83/79/35/1072837935.db2.gz LISBZOAMBLIFJS-GFCCVEGCSA-N 1 0 390.444 -0.358 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(NC(=O)NCC(N)=O)c2)CC1=O ZINC000437681911 1072838042 /nfs/dbraw/zinc/83/80/42/1072838042.db2.gz LISBZOAMBLIFJS-LBPRGKRZSA-N 1 0 390.444 -0.358 20 0 GBADRO Cc1c(C(=O)NCCC[NH+]2CCC(O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000437692570 1072837399 /nfs/dbraw/zinc/83/73/99/1072837399.db2.gz CMAUZUHQZROFON-UHFFFAOYSA-N 1 0 389.456 -0.483 20 0 GBADRO COc1ccccc1CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000437726879 1072840599 /nfs/dbraw/zinc/84/05/99/1072840599.db2.gz XOYSCNGQSLGGJG-INIZCTEOSA-N 1 0 390.484 -0.120 20 0 GBADRO COc1ccccc1CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000437726884 1072840124 /nfs/dbraw/zinc/84/01/24/1072840124.db2.gz XOYSCNGQSLGGJG-MRXNPFEDSA-N 1 0 390.484 -0.120 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1C ZINC000437734121 1072841371 /nfs/dbraw/zinc/84/13/71/1072841371.db2.gz HKONVXUZRJSGGO-QLFBSQMISA-N 1 0 399.517 -0.283 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1C ZINC000437734125 1072841491 /nfs/dbraw/zinc/84/14/91/1072841491.db2.gz HKONVXUZRJSGGO-RBSFLKMASA-N 1 0 399.517 -0.283 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1C ZINC000437734127 1072841548 /nfs/dbraw/zinc/84/15/48/1072841548.db2.gz HKONVXUZRJSGGO-RRFJBIMHSA-N 1 0 399.517 -0.283 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1C ZINC000437734129 1072841503 /nfs/dbraw/zinc/84/15/03/1072841503.db2.gz HKONVXUZRJSGGO-SOUVJXGZSA-N 1 0 399.517 -0.283 20 0 GBADRO COc1ccccc1CCNC(=O)CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000437756443 1072845520 /nfs/dbraw/zinc/84/55/20/1072845520.db2.gz HWYHYXSJJKYZHR-INIZCTEOSA-N 1 0 377.489 -0.101 20 0 GBADRO COc1ccccc1CCNC(=O)CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000437756444 1072845686 /nfs/dbraw/zinc/84/56/86/1072845686.db2.gz HWYHYXSJJKYZHR-MRXNPFEDSA-N 1 0 377.489 -0.101 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000437772339 1072847842 /nfs/dbraw/zinc/84/78/42/1072847842.db2.gz HDLNIMCHAOSRMF-INIZCTEOSA-N 1 0 395.460 -0.007 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000437772340 1072847311 /nfs/dbraw/zinc/84/73/11/1072847311.db2.gz HDLNIMCHAOSRMF-MRXNPFEDSA-N 1 0 395.460 -0.007 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000437777939 1072847824 /nfs/dbraw/zinc/84/78/24/1072847824.db2.gz UKEAKPQGBDNHCZ-INIZCTEOSA-N 1 0 386.474 -0.201 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000437777941 1072847399 /nfs/dbraw/zinc/84/73/99/1072847399.db2.gz UKEAKPQGBDNHCZ-MRXNPFEDSA-N 1 0 386.474 -0.201 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000437785090 1072847504 /nfs/dbraw/zinc/84/75/04/1072847504.db2.gz KZEWVMJAZBWWOK-INIZCTEOSA-N 1 0 395.460 -0.007 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000437785091 1072846989 /nfs/dbraw/zinc/84/69/89/1072846989.db2.gz KZEWVMJAZBWWOK-MRXNPFEDSA-N 1 0 395.460 -0.007 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000437985608 1072862967 /nfs/dbraw/zinc/86/29/67/1072862967.db2.gz KGQPJXPWRXFFCD-CABCVRRESA-N 1 0 384.477 -0.471 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000437985609 1072862605 /nfs/dbraw/zinc/86/26/05/1072862605.db2.gz KGQPJXPWRXFFCD-GJZGRUSLSA-N 1 0 384.477 -0.471 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000437985610 1072862167 /nfs/dbraw/zinc/86/21/67/1072862167.db2.gz KGQPJXPWRXFFCD-HUUCEWRRSA-N 1 0 384.477 -0.471 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000437985611 1072862822 /nfs/dbraw/zinc/86/28/22/1072862822.db2.gz KGQPJXPWRXFFCD-LSDHHAIUSA-N 1 0 384.477 -0.471 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000438003612 1072863510 /nfs/dbraw/zinc/86/35/10/1072863510.db2.gz XCRMQJGOFSWEBF-KRWDZBQOSA-N 1 0 398.504 -0.115 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000438003613 1072863244 /nfs/dbraw/zinc/86/32/44/1072863244.db2.gz XCRMQJGOFSWEBF-QGZVFWFLSA-N 1 0 398.504 -0.115 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000438009696 1072862127 /nfs/dbraw/zinc/86/21/27/1072862127.db2.gz GUPTVYLEJFZSHC-CVEARBPZSA-N 1 0 398.504 -0.115 20 0 GBADRO COC(=O)[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000438009697 1072862919 /nfs/dbraw/zinc/86/29/19/1072862919.db2.gz GUPTVYLEJFZSHC-HOTGVXAUSA-N 1 0 398.504 -0.115 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000438009699 1072863553 /nfs/dbraw/zinc/86/35/53/1072863553.db2.gz GUPTVYLEJFZSHC-HZPDHXFCSA-N 1 0 398.504 -0.115 20 0 GBADRO COC(=O)[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000438009701 1072864236 /nfs/dbraw/zinc/86/42/36/1072864236.db2.gz GUPTVYLEJFZSHC-JKSUJKDBSA-N 1 0 398.504 -0.115 20 0 GBADRO Cc1cc(O)cc(=O)n1CCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000438034969 1072864695 /nfs/dbraw/zinc/86/46/95/1072864695.db2.gz MVRJITLDHGDDIT-UHFFFAOYSA-N 1 0 390.444 -0.235 20 0 GBADRO O=S1(=O)CCCN1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000438066965 1072866074 /nfs/dbraw/zinc/86/60/74/1072866074.db2.gz NGZLNPOBYBHRGA-UHFFFAOYSA-N 1 0 396.517 -0.529 20 0 GBADRO COC(=O)Cn1cc(CC[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)nn1 ZINC000438099547 1072866257 /nfs/dbraw/zinc/86/62/57/1072866257.db2.gz UXDNRWVMVCUESR-UHFFFAOYSA-N 1 0 389.460 -0.131 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC1(CO)COC1 ZINC000438205294 1072872391 /nfs/dbraw/zinc/87/23/91/1072872391.db2.gz AHUXFLZHGVLKRU-UHFFFAOYSA-N 1 0 399.513 -0.036 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3(CO)COC3)cc2)CC1 ZINC000438261436 1072875139 /nfs/dbraw/zinc/87/51/39/1072875139.db2.gz QFCFGPILWDWDEE-UHFFFAOYSA-N 1 0 390.484 -0.112 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000438271793 1072876218 /nfs/dbraw/zinc/87/62/18/1072876218.db2.gz ONEHGBYJFPGAMJ-BPLDGKMQSA-N 1 0 385.490 -0.592 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000438271797 1072876090 /nfs/dbraw/zinc/87/60/90/1072876090.db2.gz ONEHGBYJFPGAMJ-SNPRPXQTSA-N 1 0 385.490 -0.592 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000438271802 1072875936 /nfs/dbraw/zinc/87/59/36/1072875936.db2.gz ONEHGBYJFPGAMJ-VHDGCEQUSA-N 1 0 385.490 -0.592 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000438271807 1072875800 /nfs/dbraw/zinc/87/58/00/1072875800.db2.gz ONEHGBYJFPGAMJ-YUELXQCFSA-N 1 0 385.490 -0.592 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000438289213 1072876937 /nfs/dbraw/zinc/87/69/37/1072876937.db2.gz JSMNJBNSZKKHED-BZUAXINKSA-N 1 0 388.534 -0.726 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000438289215 1072876980 /nfs/dbraw/zinc/87/69/80/1072876980.db2.gz JSMNJBNSZKKHED-OAGGEKHMSA-N 1 0 388.534 -0.726 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000438289216 1072876511 /nfs/dbraw/zinc/87/65/11/1072876511.db2.gz JSMNJBNSZKKHED-OWCLPIDISA-N 1 0 388.534 -0.726 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000438289219 1072876940 /nfs/dbraw/zinc/87/69/40/1072876940.db2.gz JSMNJBNSZKKHED-PMPSAXMXSA-N 1 0 388.534 -0.726 20 0 GBADRO C[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCN(C)CC1 ZINC000438310868 1072879049 /nfs/dbraw/zinc/87/90/49/1072879049.db2.gz FCFVJSFDJOEADL-KRWDZBQOSA-N 1 0 393.536 0.220 20 0 GBADRO C[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCN(C)CC1 ZINC000438310869 1072879150 /nfs/dbraw/zinc/87/91/50/1072879150.db2.gz FCFVJSFDJOEADL-QGZVFWFLSA-N 1 0 393.536 0.220 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438316272 1072878151 /nfs/dbraw/zinc/87/81/51/1072878151.db2.gz FWDQIMOJDXBZAZ-UHFFFAOYSA-N 1 0 393.536 0.363 20 0 GBADRO COCC[NH+]1CCC(NC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438317893 1072880106 /nfs/dbraw/zinc/88/01/06/1072880106.db2.gz DSSFNXDNHRWUMW-UHFFFAOYSA-N 1 0 380.493 0.448 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438322668 1072879853 /nfs/dbraw/zinc/87/98/53/1072879853.db2.gz HWDLPXCETXLIFB-KRWDZBQOSA-N 1 0 394.520 0.430 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438322669 1072879641 /nfs/dbraw/zinc/87/96/41/1072879641.db2.gz HWDLPXCETXLIFB-QGZVFWFLSA-N 1 0 394.520 0.430 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438324494 1072880277 /nfs/dbraw/zinc/88/02/77/1072880277.db2.gz LKPQUTXAEQUGBK-INIZCTEOSA-N 1 0 379.509 -0.027 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438324495 1072879977 /nfs/dbraw/zinc/87/99/77/1072879977.db2.gz LKPQUTXAEQUGBK-MRXNPFEDSA-N 1 0 379.509 -0.027 20 0 GBADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccn(CCN2CCOCC2)n1 ZINC000438325950 1072879780 /nfs/dbraw/zinc/87/97/80/1072879780.db2.gz IDPAGQITAJTXPD-KRWDZBQOSA-N 1 0 394.520 0.574 20 0 GBADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccn(CCN2CCOCC2)n1 ZINC000438325955 1072879919 /nfs/dbraw/zinc/87/99/19/1072879919.db2.gz IDPAGQITAJTXPD-QGZVFWFLSA-N 1 0 394.520 0.574 20 0 GBADRO C[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)CN1CCOCC1 ZINC000438330294 1072879017 /nfs/dbraw/zinc/87/90/17/1072879017.db2.gz YOMIRGCPQWWMLR-INIZCTEOSA-N 1 0 380.493 0.305 20 0 GBADRO C[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)CN1CCOCC1 ZINC000438330295 1072878633 /nfs/dbraw/zinc/87/86/33/1072878633.db2.gz YOMIRGCPQWWMLR-MRXNPFEDSA-N 1 0 380.493 0.305 20 0 GBADRO O=C(NCCCN1C(=O)CCC1=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438331826 1072879207 /nfs/dbraw/zinc/87/92/07/1072879207.db2.gz YUXXXHZKKPCLMV-UHFFFAOYSA-N 1 0 378.433 -0.124 20 0 GBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)N1CCN(c2ncccn2)CC1 ZINC000438332323 1072878678 /nfs/dbraw/zinc/87/86/78/1072878678.db2.gz QLSGNZNSQIMCMP-UHFFFAOYSA-N 1 0 386.460 0.359 20 0 GBADRO CCCNC(=O)CN1CCC(NC(=O)Nc2ccn(CC(=O)OC)n2)CC1 ZINC000438364492 1072881911 /nfs/dbraw/zinc/88/19/11/1072881911.db2.gz JRTAFBTXHQFIIV-UHFFFAOYSA-N 1 0 380.449 0.168 20 0 GBADRO CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)Nc1cc[nH]n1 ZINC000438373893 1072883999 /nfs/dbraw/zinc/88/39/99/1072883999.db2.gz OLOOVYYCUFTEIC-KGLIPLIRSA-N 1 0 378.477 0.289 20 0 GBADRO CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)Nc1cc[nH]n1 ZINC000438373899 1072883763 /nfs/dbraw/zinc/88/37/63/1072883763.db2.gz OLOOVYYCUFTEIC-UONOGXRCSA-N 1 0 378.477 0.289 20 0 GBADRO CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(=O)Nc1cc[nH]n1 ZINC000438373903 1072884088 /nfs/dbraw/zinc/88/40/88/1072884088.db2.gz OLOOVYYCUFTEIC-ZIAGYGMSSA-N 1 0 378.477 0.289 20 0 GBADRO CCN1CCN(c2nc(N3CCOCC3)nc(N3CCN(CC)CC3)n2)CC1 ZINC000438401173 1072883714 /nfs/dbraw/zinc/88/37/14/1072883714.db2.gz QMUBXLWVLUEAFS-UHFFFAOYSA-N 1 0 390.536 -0.008 20 0 GBADRO COC[C@](C)(CCO)[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000438498781 1072892965 /nfs/dbraw/zinc/89/29/65/1072892965.db2.gz VMTORYZJWJWVNS-PXAZEXFGSA-N 1 0 385.486 -0.011 20 0 GBADRO COC[C@](C)(CCO)[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000438498782 1072892549 /nfs/dbraw/zinc/89/25/49/1072892549.db2.gz VMTORYZJWJWVNS-SJCJKPOMSA-N 1 0 385.486 -0.011 20 0 GBADRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000438498783 1072892371 /nfs/dbraw/zinc/89/23/71/1072892371.db2.gz VMTORYZJWJWVNS-SJKOYZFVSA-N 1 0 385.486 -0.011 20 0 GBADRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000438498784 1072892002 /nfs/dbraw/zinc/89/20/02/1072892002.db2.gz VMTORYZJWJWVNS-YVEFUNNKSA-N 1 0 385.486 -0.011 20 0 GBADRO C[NH+](C)C1(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCC1 ZINC000438512839 1072892175 /nfs/dbraw/zinc/89/21/75/1072892175.db2.gz HFLMXKSDIZMNKJ-UHFFFAOYSA-N 1 0 382.442 -0.158 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000438597148 530383890 /nfs/dbraw/zinc/38/38/90/530383890.db2.gz CILMCIRDEXFSGV-UHFFFAOYSA-N 1 0 376.523 -0.237 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1)S(N)(=O)=O ZINC000438671700 530384168 /nfs/dbraw/zinc/38/41/68/530384168.db2.gz ZDUVRFIWKGTHDZ-CYBMUJFWSA-N 1 0 376.523 -0.250 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1)S(N)(=O)=O ZINC000438671701 530384172 /nfs/dbraw/zinc/38/41/72/530384172.db2.gz ZDUVRFIWKGTHDZ-ZDUSSCGKSA-N 1 0 376.523 -0.250 20 0 GBADRO COc1c(F)cc(CC(=O)NCC[N@@H+]2CCCOCC2)cc1S(N)(=O)=O ZINC000438676294 1072903153 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-0.473 20 0 GBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H](C)O1 ZINC000438715862 1073738270 /nfs/dbraw/zinc/73/82/70/1073738270.db2.gz XROVREIYZJZXFR-BFYDXBDKSA-N 1 0 377.489 -0.227 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H](C)O1 ZINC000438715863 1073738203 /nfs/dbraw/zinc/73/82/03/1073738203.db2.gz XROVREIYZJZXFR-HLLBOEOZSA-N 1 0 377.489 -0.227 20 0 GBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@@H](C)O1 ZINC000438715865 1073738139 /nfs/dbraw/zinc/73/81/39/1073738139.db2.gz XROVREIYZJZXFR-INMHGKMJSA-N 1 0 377.489 -0.227 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H](C)O1 ZINC000438715867 1073738652 /nfs/dbraw/zinc/73/86/52/1073738652.db2.gz XROVREIYZJZXFR-UXLLHSPISA-N 1 0 377.489 -0.227 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C ZINC000438728448 1072905689 /nfs/dbraw/zinc/90/56/89/1072905689.db2.gz UDKNLGKFVIRXTF-AWEZNQCLSA-N 1 0 376.461 -0.037 20 0 GBADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000438730660 1072905634 /nfs/dbraw/zinc/90/56/34/1072905634.db2.gz JKSOPVGMQZVGNX-UHFFFAOYSA-N 1 0 378.458 -0.041 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000438757449 1072907436 /nfs/dbraw/zinc/90/74/36/1072907436.db2.gz LOVMWAGUWAXJDT-AWEZNQCLSA-N 1 0 396.513 -0.097 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000438757450 1072907580 /nfs/dbraw/zinc/90/75/80/1072907580.db2.gz LOVMWAGUWAXJDT-CQSZACIVSA-N 1 0 396.513 -0.097 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000438827666 1072912674 /nfs/dbraw/zinc/91/26/74/1072912674.db2.gz DMBUTUCWQNCXGY-UHFFFAOYSA-N 1 0 377.445 -0.361 20 0 GBADRO CCc1c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]c(C)c1C(N)=O ZINC000438828242 1072912850 /nfs/dbraw/zinc/91/28/50/1072912850.db2.gz WDAYKAMYXGZNSV-CYBMUJFWSA-N 1 0 391.472 -0.353 20 0 GBADRO CCc1c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]c(C)c1C(N)=O ZINC000438828243 1072913037 /nfs/dbraw/zinc/91/30/37/1072913037.db2.gz WDAYKAMYXGZNSV-ZDUSSCGKSA-N 1 0 391.472 -0.353 20 0 GBADRO Cc1c(C(=O)NCc2cnc(N(C)C)n2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832080 1072912454 /nfs/dbraw/zinc/91/24/54/1072912454.db2.gz LGZFUPLITHRLDK-UHFFFAOYSA-N 1 0 385.428 -0.330 20 0 GBADRO Cc1c(C(=O)NCC2([NH+](C)C)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832806 1072913812 /nfs/dbraw/zinc/91/38/12/1072913812.db2.gz NMPKZNZBJQFUIK-UHFFFAOYSA-N 1 0 389.456 -0.219 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(F)c2)n1 ZINC000438875437 1072917691 /nfs/dbraw/zinc/91/76/91/1072917691.db2.gz NPAGFMUMFQXGIU-UHFFFAOYSA-N 1 0 376.392 0.277 20 0 GBADRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000438875728 1072917821 /nfs/dbraw/zinc/91/78/21/1072917821.db2.gz JSSGEHCWMOULPQ-INIZCTEOSA-N 1 0 383.452 -0.013 20 0 GBADRO CC[C@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCOCC1 ZINC000438881331 1072918622 /nfs/dbraw/zinc/91/86/22/1072918622.db2.gz XNHVYAFWVGCDSH-HNNXBMFYSA-N 1 0 394.476 -0.026 20 0 GBADRO CC[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCOCC1 ZINC000438881334 1072918292 /nfs/dbraw/zinc/91/82/92/1072918292.db2.gz XNHVYAFWVGCDSH-OAHLLOKOSA-N 1 0 394.476 -0.026 20 0 GBADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H](N)CC(N)=O)c1 ZINC000438883849 1072918548 /nfs/dbraw/zinc/91/85/48/1072918548.db2.gz ONZXSZGTJMJRIR-KBPBESRZSA-N 1 0 376.413 -0.005 20 0 GBADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H](N)CC(N)=O)c1 ZINC000438883853 1072918756 /nfs/dbraw/zinc/91/87/56/1072918756.db2.gz ONZXSZGTJMJRIR-KGLIPLIRSA-N 1 0 376.413 -0.005 20 0 GBADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H](N)CC(N)=O)c1 ZINC000438883854 1072918783 /nfs/dbraw/zinc/91/87/83/1072918783.db2.gz ONZXSZGTJMJRIR-UONOGXRCSA-N 1 0 376.413 -0.005 20 0 GBADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H](N)CC(N)=O)c1 ZINC000438883856 1072918828 /nfs/dbraw/zinc/91/88/28/1072918828.db2.gz ONZXSZGTJMJRIR-ZIAGYGMSSA-N 1 0 376.413 -0.005 20 0 GBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000438963332 1072923288 /nfs/dbraw/zinc/92/32/88/1072923288.db2.gz VOTCDTLCWGQSLZ-INIZCTEOSA-N 1 0 379.465 -0.863 20 0 GBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000438963334 1072923251 /nfs/dbraw/zinc/92/32/51/1072923251.db2.gz VOTCDTLCWGQSLZ-MRXNPFEDSA-N 1 0 379.465 -0.863 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000438987220 1072924131 /nfs/dbraw/zinc/92/41/31/1072924131.db2.gz OZXHKWJUVPZJEW-UHFFFAOYSA-N 1 0 377.445 -0.409 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 ZINC000438995675 1072924939 /nfs/dbraw/zinc/92/49/39/1072924939.db2.gz NUANPATWDSMCKV-GFCCVEGCSA-N 1 0 375.429 -0.609 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 ZINC000438995679 1072925109 /nfs/dbraw/zinc/92/51/09/1072925109.db2.gz NUANPATWDSMCKV-LBPRGKRZSA-N 1 0 375.429 -0.609 20 0 GBADRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C 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COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000439335311 1072942528 /nfs/dbraw/zinc/94/25/28/1072942528.db2.gz YTJUHYOJSCYDQV-GFCCVEGCSA-N 1 0 380.449 -0.060 20 0 GBADRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000439335312 1072942592 /nfs/dbraw/zinc/94/25/92/1072942592.db2.gz YTJUHYOJSCYDQV-LBPRGKRZSA-N 1 0 380.449 -0.060 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000439339150 1072943184 /nfs/dbraw/zinc/94/31/84/1072943184.db2.gz FGHDGYGCRSYIMR-HNNXBMFYSA-N 1 0 378.477 -0.294 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000439339152 1072943066 /nfs/dbraw/zinc/94/30/66/1072943066.db2.gz FGHDGYGCRSYIMR-OAHLLOKOSA-N 1 0 378.477 -0.294 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000439339464 1072943319 /nfs/dbraw/zinc/94/33/19/1072943319.db2.gz GEGQAWCFLUUCFE-LLVKDONJSA-N 1 0 388.428 -0.877 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000439339465 1072943162 /nfs/dbraw/zinc/94/31/62/1072943162.db2.gz GEGQAWCFLUUCFE-NSHDSACASA-N 1 0 388.428 -0.877 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cn1 ZINC000439344323 1072944830 /nfs/dbraw/zinc/94/48/30/1072944830.db2.gz QGBIVGVOLGWCRP-CYBMUJFWSA-N 1 0 380.449 -0.863 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cn1 ZINC000439344389 1072944689 /nfs/dbraw/zinc/94/46/89/1072944689.db2.gz QGBIVGVOLGWCRP-ZDUSSCGKSA-N 1 0 380.449 -0.863 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)c1=O ZINC000439347493 1072945629 /nfs/dbraw/zinc/94/56/29/1072945629.db2.gz WDGXRTLHZYJRMF-CYBMUJFWSA-N 1 0 378.429 -0.098 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1=O ZINC000439347494 1072945711 /nfs/dbraw/zinc/94/57/11/1072945711.db2.gz WDGXRTLHZYJRMF-ZDUSSCGKSA-N 1 0 378.429 -0.098 20 0 GBADRO CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(=O)N1CCOCC1 ZINC000439350905 1072945601 /nfs/dbraw/zinc/94/56/01/1072945601.db2.gz CVLOIUIFNITCFJ-CABCVRRESA-N 1 0 383.493 -0.490 20 0 GBADRO CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(=O)N1CCOCC1 ZINC000439350914 1072945735 /nfs/dbraw/zinc/94/57/35/1072945735.db2.gz CVLOIUIFNITCFJ-GJZGRUSLSA-N 1 0 383.493 -0.490 20 0 GBADRO CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C(=O)N1CCOCC1 ZINC000439350917 1072945270 /nfs/dbraw/zinc/94/52/70/1072945270.db2.gz CVLOIUIFNITCFJ-HUUCEWRRSA-N 1 0 383.493 -0.490 20 0 GBADRO CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C(=O)N1CCOCC1 ZINC000439350921 1072945707 /nfs/dbraw/zinc/94/57/07/1072945707.db2.gz CVLOIUIFNITCFJ-LSDHHAIUSA-N 1 0 383.493 -0.490 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000439352608 1072945376 /nfs/dbraw/zinc/94/53/76/1072945376.db2.gz PLLVNIYXMUTMCC-HNNXBMFYSA-N 1 0 378.477 -0.294 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000439352609 1072945424 /nfs/dbraw/zinc/94/54/24/1072945424.db2.gz PLLVNIYXMUTMCC-OAHLLOKOSA-N 1 0 378.477 -0.294 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000439360139 1072946689 /nfs/dbraw/zinc/94/66/89/1072946689.db2.gz QHWATCAIXJSMST-AWEZNQCLSA-N 1 0 392.460 -0.767 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000439360140 1072947172 /nfs/dbraw/zinc/94/71/72/1072947172.db2.gz QHWATCAIXJSMST-CQSZACIVSA-N 1 0 392.460 -0.767 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000439362306 1072948057 /nfs/dbraw/zinc/94/80/57/1072948057.db2.gz WZUZLNPHVGRRPF-GFCCVEGCSA-N 1 0 375.429 -0.607 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000439362307 1072947865 /nfs/dbraw/zinc/94/78/65/1072947865.db2.gz WZUZLNPHVGRRPF-LBPRGKRZSA-N 1 0 375.429 -0.607 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000439364605 1072948017 /nfs/dbraw/zinc/94/80/17/1072948017.db2.gz YYYLIABAUKDVQL-CYBMUJFWSA-N 1 0 375.429 -0.168 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)n1 ZINC000439364606 1072947762 /nfs/dbraw/zinc/94/77/62/1072947762.db2.gz YYYLIABAUKDVQL-ZDUSSCGKSA-N 1 0 375.429 -0.168 20 0 GBADRO NC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000439370250 1072946764 /nfs/dbraw/zinc/94/67/64/1072946764.db2.gz MEYHCOQIHKFPAL-AWEZNQCLSA-N 1 0 378.433 -0.980 20 0 GBADRO NC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000439370251 1072947077 /nfs/dbraw/zinc/94/70/77/1072947077.db2.gz MEYHCOQIHKFPAL-CQSZACIVSA-N 1 0 378.433 -0.980 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1 ZINC000439404182 1072948359 /nfs/dbraw/zinc/94/83/59/1072948359.db2.gz ANYRFZUXXDRQOY-UHFFFAOYSA-N 1 0 398.485 -0.155 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439485715 1072953889 /nfs/dbraw/zinc/95/38/89/1072953889.db2.gz UGTHVIUMQIFXQS-UHFFFAOYSA-N 1 0 378.477 0.070 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)c1 ZINC000439527725 1072954597 /nfs/dbraw/zinc/95/45/97/1072954597.db2.gz PSJPZFQJNLBOIN-UHFFFAOYSA-N 1 0 398.485 -0.155 20 0 GBADRO COCCn1ccc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)n1 ZINC000439535051 1072955082 /nfs/dbraw/zinc/95/50/82/1072955082.db2.gz YQCZSNMEUZWUKC-UHFFFAOYSA-N 1 0 375.433 -0.248 20 0 GBADRO CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccn2)CC1 ZINC000439546896 1072956137 /nfs/dbraw/zinc/95/61/37/1072956137.db2.gz VXSAJYOBFJCGGH-UHFFFAOYSA-N 1 0 390.488 -0.088 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000439549513 1072956155 /nfs/dbraw/zinc/95/61/55/1072956155.db2.gz KGYXRVZOEKWLDN-UHFFFAOYSA-N 1 0 382.486 -0.012 20 0 GBADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000439556214 1072956034 /nfs/dbraw/zinc/95/60/34/1072956034.db2.gz KBZQZDQQYVIOAH-UHFFFAOYSA-N 1 0 393.492 0.124 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cnc2n(C)c1=O ZINC000439563836 1072957272 /nfs/dbraw/zinc/95/72/72/1072957272.db2.gz XFEYAAGZPSUSCN-UHFFFAOYSA-N 1 0 376.417 -0.925 20 0 GBADRO CNS(=O)(=O)CCNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000439575993 1072957712 /nfs/dbraw/zinc/95/77/12/1072957712.db2.gz BCDVQWUXBCRANX-UHFFFAOYSA-N 1 0 391.538 -0.539 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCNC(=O)CC3)cn2)CC1 ZINC000439599805 1072958281 /nfs/dbraw/zinc/95/82/81/1072958281.db2.gz WYOJFYGRWBJMEN-UHFFFAOYSA-N 1 0 375.429 -0.158 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000439610639 1072960768 /nfs/dbraw/zinc/96/07/68/1072960768.db2.gz CCRQEFIWNMFKCX-UHFFFAOYSA-N 1 0 375.429 -0.033 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000439611081 1072960625 /nfs/dbraw/zinc/96/06/25/1072960625.db2.gz DNXSSVODMJQLQA-UHFFFAOYSA-N 1 0 378.429 -0.481 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000439619000 1072960928 /nfs/dbraw/zinc/96/09/28/1072960928.db2.gz PPAJUJOUAANAEG-UHFFFAOYSA-N 1 0 381.429 -0.205 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000439620109 1072960088 /nfs/dbraw/zinc/96/00/88/1072960088.db2.gz RSBLEXUCIZCYLV-UHFFFAOYSA-N 1 0 393.440 -0.011 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)S(N)(=O)=O ZINC000439627356 1072961897 /nfs/dbraw/zinc/96/18/97/1072961897.db2.gz DYTDPVBZLGXPFA-AWEZNQCLSA-N 1 0 396.513 -0.097 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)S(N)(=O)=O ZINC000439627357 1072961594 /nfs/dbraw/zinc/96/15/94/1072961594.db2.gz DYTDPVBZLGXPFA-CQSZACIVSA-N 1 0 396.513 -0.097 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000439627777 1072961413 /nfs/dbraw/zinc/96/14/13/1072961413.db2.gz HBTDFQBWTTUDRH-UHFFFAOYSA-N 1 0 392.456 -0.091 20 0 GBADRO Cn1c(=O)oc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000439630175 1072962725 /nfs/dbraw/zinc/96/27/25/1072962725.db2.gz BLUKNWIXLKOCED-UHFFFAOYSA-N 1 0 394.428 -0.531 20 0 GBADRO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C ZINC000439635278 1072960559 /nfs/dbraw/zinc/96/05/59/1072960559.db2.gz QSIDNEMHZMBHPN-UHFFFAOYSA-N 1 0 394.428 -0.531 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000439635648 1072960611 /nfs/dbraw/zinc/96/06/11/1072960611.db2.gz SLOHSJDWAKARHO-UHFFFAOYSA-N 1 0 392.456 -0.091 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000439636371 1072960785 /nfs/dbraw/zinc/96/07/85/1072960785.db2.gz CDUDYCITIHGSSG-UHFFFAOYSA-N 1 0 394.428 -0.645 20 0 GBADRO Cn1cnc2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc21 ZINC000439637327 1072961316 /nfs/dbraw/zinc/96/13/16/1072961316.db2.gz ZAVDZZSBRUGECF-UHFFFAOYSA-N 1 0 377.445 -0.089 20 0 GBADRO Cc1cn2cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)ccc2n1 ZINC000439638229 1072961676 /nfs/dbraw/zinc/96/16/76/1072961676.db2.gz VNDCEWIKRICHHR-UHFFFAOYSA-N 1 0 377.445 -0.020 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000439640237 1072961759 /nfs/dbraw/zinc/96/17/59/1072961759.db2.gz NEHVAHYMWYKEEX-UHFFFAOYSA-N 1 0 381.429 -0.205 20 0 GBADRO CC[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C(=O)N1CCOCC1 ZINC000439642967 1072961659 /nfs/dbraw/zinc/96/16/59/1072961659.db2.gz PMIPXLUJBQABLR-INIZCTEOSA-N 1 0 397.520 -0.181 20 0 GBADRO CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C(=O)N1CCOCC1 ZINC000439642968 1072961402 /nfs/dbraw/zinc/96/14/02/1072961402.db2.gz PMIPXLUJBQABLR-MRXNPFEDSA-N 1 0 397.520 -0.181 20 0 GBADRO CN1Cc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc2C1 ZINC000439646887 1072962379 /nfs/dbraw/zinc/96/23/79/1072962379.db2.gz WMIVBJMYPANMLB-UHFFFAOYSA-N 1 0 378.473 -0.030 20 0 GBADRO CN1CCOc2ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc21 ZINC000439653160 1072962168 /nfs/dbraw/zinc/96/21/68/1072962168.db2.gz RVRAIXGWKYHHIM-UHFFFAOYSA-N 1 0 394.472 -0.147 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000439700809 530385469 /nfs/dbraw/zinc/38/54/69/530385469.db2.gz ZALCHPUNFJPXCK-UHFFFAOYSA-N 1 0 375.539 -0.407 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000439708996 1072963623 /nfs/dbraw/zinc/96/36/23/1072963623.db2.gz UQIHUJUCSCZIEG-INIZCTEOSA-N 1 0 389.566 -0.161 20 0 GBADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000439708999 1072963168 /nfs/dbraw/zinc/96/31/68/1072963168.db2.gz UQIHUJUCSCZIEG-MRXNPFEDSA-N 1 0 389.566 -0.161 20 0 GBADRO O=S(=O)(CCNc1nccn2cnnc12)N1CCN(c2ccccn2)CC1 ZINC000439714095 1072964483 /nfs/dbraw/zinc/96/44/83/1072964483.db2.gz KAZRMYJNIVUXLV-UHFFFAOYSA-N 1 0 388.457 0.083 20 0 GBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000439753870 1072966634 /nfs/dbraw/zinc/96/66/34/1072966634.db2.gz BVMACARWVQRQPF-BBRMVZONSA-N 1 0 392.456 -0.418 20 0 GBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000439753871 1072966777 /nfs/dbraw/zinc/96/67/77/1072966777.db2.gz BVMACARWVQRQPF-CJNGLKHVSA-N 1 0 392.456 -0.418 20 0 GBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000439753872 1072966491 /nfs/dbraw/zinc/96/64/91/1072966491.db2.gz BVMACARWVQRQPF-CZUORRHYSA-N 1 0 392.456 -0.418 20 0 GBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000439753873 1072966898 /nfs/dbraw/zinc/96/68/98/1072966898.db2.gz 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1072996740 /nfs/dbraw/zinc/99/67/40/1072996740.db2.gz NHABZVXDKLJEOS-UHFFFAOYSA-N 1 0 393.492 -0.414 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000440267795 1072996883 /nfs/dbraw/zinc/99/68/83/1072996883.db2.gz MCMJSLINEFYIAW-AWEZNQCLSA-N 1 0 384.458 -0.545 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000440267796 1072996704 /nfs/dbraw/zinc/99/67/04/1072996704.db2.gz MCMJSLINEFYIAW-CQSZACIVSA-N 1 0 384.458 -0.545 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000440272305 1072997806 /nfs/dbraw/zinc/99/78/06/1072997806.db2.gz PGJSOXHKLOLMKM-UHFFFAOYSA-N 1 0 392.504 0.098 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000440278702 1072998447 /nfs/dbraw/zinc/99/84/47/1072998447.db2.gz FOYBVXVDUCMKOA-UHFFFAOYSA-N 1 0 389.456 -0.216 20 0 GBADRO COC(=O)c1cc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cn1C ZINC000440285706 1072999264 /nfs/dbraw/zinc/99/92/64/1072999264.db2.gz QDACFZDHPYQKKW-UHFFFAOYSA-N 1 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CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000440357222 1073006914 /nfs/dbraw/zinc/00/69/14/1073006914.db2.gz MCXNFIJYMGITMG-UHFFFAOYSA-N 1 0 386.474 -0.139 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1C(N)=O ZINC000440357299 1073007130 /nfs/dbraw/zinc/00/71/30/1073007130.db2.gz QNINSEHDDZEXSL-AWEZNQCLSA-N 1 0 394.497 -0.074 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C(N)=O ZINC000440357300 1073006966 /nfs/dbraw/zinc/00/69/66/1073006966.db2.gz QNINSEHDDZEXSL-CQSZACIVSA-N 1 0 394.497 -0.074 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000440357811 1073007031 /nfs/dbraw/zinc/00/70/31/1073007031.db2.gz LVDFMQPWBFKLSF-AWEZNQCLSA-N 1 0 380.470 -0.382 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000440357814 1073006508 /nfs/dbraw/zinc/00/65/08/1073006508.db2.gz LVDFMQPWBFKLSF-CQSZACIVSA-N 1 0 380.470 -0.382 20 0 GBADRO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000440358828 1073006606 /nfs/dbraw/zinc/00/66/06/1073006606.db2.gz UKIHXEOPIXUWJG-UHFFFAOYSA-N 1 0 398.485 -0.616 20 0 GBADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000440359010 530386894 /nfs/dbraw/zinc/38/68/94/530386894.db2.gz WAQXONSIFFJOFK-UHFFFAOYSA-N 1 0 391.471 -0.404 20 0 GBADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000440359452 1073006534 /nfs/dbraw/zinc/00/65/34/1073006534.db2.gz RHJIKXFMPVCCBO-UHFFFAOYSA-N 1 0 384.458 -0.294 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000440361078 1073006689 /nfs/dbraw/zinc/00/66/89/1073006689.db2.gz ZRDQVTZSFQQRBU-UHFFFAOYSA-N 1 0 380.470 -0.134 20 0 GBADRO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1C(=O)N(C)C ZINC000440361254 1073007006 /nfs/dbraw/zinc/00/70/06/1073007006.db2.gz ATXDKHGDODXAFP-UHFFFAOYSA-N 1 0 398.485 -0.551 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000440361291 1073006589 /nfs/dbraw/zinc/00/65/89/1073006589.db2.gz UAJVRNZKTINICO-UHFFFAOYSA-N 1 0 385.442 -0.466 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000440362104 1073007051 /nfs/dbraw/zinc/00/70/51/1073007051.db2.gz DHLMORABVSCSLW-UHFFFAOYSA-N 1 0 377.470 -0.016 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1C ZINC000440362321 1073006988 /nfs/dbraw/zinc/00/69/88/1073006988.db2.gz FBEYGWBNOGFRQB-CYBMUJFWSA-N 1 0 397.501 -0.783 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1C ZINC000440362322 1073006634 /nfs/dbraw/zinc/00/66/34/1073006634.db2.gz FBEYGWBNOGFRQB-ZDUSSCGKSA-N 1 0 397.501 -0.783 20 0 GBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000440362699 1073006846 /nfs/dbraw/zinc/00/68/46/1073006846.db2.gz ZHUKZEOWLDOBGU-UHFFFAOYSA-N 1 0 399.469 -0.167 20 0 GBADRO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000440362968 1073007555 /nfs/dbraw/zinc/00/75/55/1073007555.db2.gz HEZFMXJAANIXLY-UHFFFAOYSA-N 1 0 399.469 -0.167 20 0 GBADRO C[C@H]1OCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H]1C ZINC000440364233 1073007528 /nfs/dbraw/zinc/00/75/28/1073007528.db2.gz AUNUESGKEZXXRM-CHWSQXEVSA-N 1 0 380.449 -0.865 20 0 GBADRO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000440364234 1073007486 /nfs/dbraw/zinc/00/74/86/1073007486.db2.gz AUNUESGKEZXXRM-OLZOCXBDSA-N 1 0 380.449 -0.865 20 0 GBADRO C[C@H]1OCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000440364235 1073007834 /nfs/dbraw/zinc/00/78/34/1073007834.db2.gz AUNUESGKEZXXRM-QWHCGFSZSA-N 1 0 380.449 -0.865 20 0 GBADRO C[C@@H]1OCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000440364236 1073007944 /nfs/dbraw/zinc/00/79/44/1073007944.db2.gz AUNUESGKEZXXRM-STQMWFEESA-N 1 0 380.449 -0.865 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000440365487 530386907 /nfs/dbraw/zinc/38/69/07/530386907.db2.gz OPVWVOOSRWQJKM-UHFFFAOYSA-N 1 0 389.499 -0.717 20 0 GBADRO COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000440365587 1073007880 /nfs/dbraw/zinc/00/78/80/1073007880.db2.gz PDCLPHPNGMDIIL-UHFFFAOYSA-N 1 0 385.442 -0.466 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000440366516 530386969 /nfs/dbraw/zinc/38/69/69/530386969.db2.gz RWPODUNVWXBBCJ-UHFFFAOYSA-N 1 0 390.531 -0.490 20 0 GBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N(C)CC(=O)N3CC[NH2+]CC3)cc21 ZINC000440368368 1073007401 /nfs/dbraw/zinc/00/74/01/1073007401.db2.gz ZQSWVBWEBVVVEY-UHFFFAOYSA-N 1 0 380.470 -0.352 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000440380882 1073010019 /nfs/dbraw/zinc/01/00/19/1073010019.db2.gz HCWBTZQLVDKQOO-AWEZNQCLSA-N 1 0 398.485 -0.155 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000440380890 1073009842 /nfs/dbraw/zinc/00/98/42/1073009842.db2.gz HCWBTZQLVDKQOO-CQSZACIVSA-N 1 0 398.485 -0.155 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000440391740 1073011663 /nfs/dbraw/zinc/01/16/63/1073011663.db2.gz VGCBVGPHDNXNKD-AWEZNQCLSA-N 1 0 398.485 -0.155 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000440391741 1073011430 /nfs/dbraw/zinc/01/14/30/1073011430.db2.gz VGCBVGPHDNXNKD-CQSZACIVSA-N 1 0 398.485 -0.155 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000440396096 1073011163 /nfs/dbraw/zinc/01/11/63/1073011163.db2.gz FUXQSRIJSYSOJO-CABCVRRESA-N 1 0 396.469 -0.122 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000440396097 1073011530 /nfs/dbraw/zinc/01/15/30/1073011530.db2.gz FUXQSRIJSYSOJO-GJZGRUSLSA-N 1 0 396.469 -0.122 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000440396099 1073011767 /nfs/dbraw/zinc/01/17/67/1073011767.db2.gz FUXQSRIJSYSOJO-HUUCEWRRSA-N 1 0 396.469 -0.122 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000440396102 1073011346 /nfs/dbraw/zinc/01/13/46/1073011346.db2.gz FUXQSRIJSYSOJO-LSDHHAIUSA-N 1 0 396.469 -0.122 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)cn1 ZINC000440399327 1073011685 /nfs/dbraw/zinc/01/16/85/1073011685.db2.gz QIUTUGZPHZCNET-ZDUSSCGKSA-N 1 0 382.465 -0.977 20 0 GBADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440404689 530386769 /nfs/dbraw/zinc/38/67/69/530386769.db2.gz IIAFLCFYSJBYES-HNNXBMFYSA-N 1 0 391.515 -0.031 20 0 GBADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440404690 530387010 /nfs/dbraw/zinc/38/70/10/530387010.db2.gz IIAFLCFYSJBYES-OAHLLOKOSA-N 1 0 391.515 -0.031 20 0 GBADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440429162 530386824 /nfs/dbraw/zinc/38/68/24/530386824.db2.gz JWELRIUIFUKYRW-CYBMUJFWSA-N 1 0 391.515 -0.159 20 0 GBADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440429167 530386916 /nfs/dbraw/zinc/38/69/16/530386916.db2.gz JWELRIUIFUKYRW-ZDUSSCGKSA-N 1 0 391.515 -0.159 20 0 GBADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000440430898 1073014611 /nfs/dbraw/zinc/01/46/11/1073014611.db2.gz VMHIKSMBKAPWQV-HWPZZCPQSA-N 1 0 384.458 -0.116 20 0 GBADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000440430920 1073015291 /nfs/dbraw/zinc/01/52/91/1073015291.db2.gz VMHIKSMBKAPWQV-MGPLVRAMSA-N 1 0 384.458 -0.116 20 0 GBADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000440430922 1073015186 /nfs/dbraw/zinc/01/51/86/1073015186.db2.gz VMHIKSMBKAPWQV-QFYYESIMSA-N 1 0 384.458 -0.116 20 0 GBADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000440430925 1073015060 /nfs/dbraw/zinc/01/50/60/1073015060.db2.gz VMHIKSMBKAPWQV-QLJPJBMISA-N 1 0 384.458 -0.116 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000440459234 1073023825 /nfs/dbraw/zinc/02/38/25/1073023825.db2.gz IMSDLJSEPLVRKI-CYBMUJFWSA-N 1 0 375.429 -0.172 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1NC(=O)CC[NH+](C)C ZINC000440459236 1073023429 /nfs/dbraw/zinc/02/34/29/1073023429.db2.gz IMSDLJSEPLVRKI-ZDUSSCGKSA-N 1 0 375.429 -0.172 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC000440462239 1073026830 /nfs/dbraw/zinc/02/68/30/1073026830.db2.gz JNBOUTKGWKNJIL-HNNXBMFYSA-N 1 0 389.456 -0.299 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 ZINC000440462240 1073027319 /nfs/dbraw/zinc/02/73/19/1073027319.db2.gz JNBOUTKGWKNJIL-OAHLLOKOSA-N 1 0 389.456 -0.299 20 0 GBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CNC(=O)C2)CC1 ZINC000440464125 1073029748 /nfs/dbraw/zinc/02/97/48/1073029748.db2.gz QGPKUHSNYWCENZ-CYBMUJFWSA-N 1 0 387.440 -0.593 20 0 GBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CNC(=O)C2)CC1 ZINC000440464135 1073029882 /nfs/dbraw/zinc/02/98/82/1073029882.db2.gz QGPKUHSNYWCENZ-ZDUSSCGKSA-N 1 0 387.440 -0.593 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 ZINC000440464397 1073030136 /nfs/dbraw/zinc/03/01/36/1073030136.db2.gz HSKMGIMKFHFQDJ-CYBMUJFWSA-N 1 0 389.456 -0.220 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 ZINC000440464400 1073029843 /nfs/dbraw/zinc/02/98/43/1073029843.db2.gz HSKMGIMKFHFQDJ-ZDUSSCGKSA-N 1 0 389.456 -0.220 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)ccc2oc1=O ZINC000440470056 1073033459 /nfs/dbraw/zinc/03/34/59/1073033459.db2.gz LXXWMOIMQXUGFO-LLVKDONJSA-N 1 0 375.385 -0.901 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)ccc2oc1=O ZINC000440470058 1073033476 /nfs/dbraw/zinc/03/34/76/1073033476.db2.gz LXXWMOIMQXUGFO-NSHDSACASA-N 1 0 375.385 -0.901 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C(C)(C)CC(N)=O ZINC000440498177 530386746 /nfs/dbraw/zinc/38/67/46/530386746.db2.gz JKKQFKZYVHEUBG-UHFFFAOYSA-N 1 0 391.515 -0.046 20 0 GBADRO CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000440508780 1073074519 /nfs/dbraw/zinc/07/45/19/1073074519.db2.gz IDRWOGYWYLMGNP-HUUCEWRRSA-N 1 0 394.476 -0.739 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000440510246 1073078028 /nfs/dbraw/zinc/07/80/28/1073078028.db2.gz XSRGLDGKJQUZDS-IBGZPJMESA-N 1 0 386.456 -0.267 20 0 GBADRO CN(C)C(=O)Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000440510248 1073078960 /nfs/dbraw/zinc/07/89/60/1073078960.db2.gz XSRGLDGKJQUZDS-LJQANCHMSA-N 1 0 386.456 -0.267 20 0 GBADRO CCN1CCN(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C(=O)C1=O ZINC000440510386 1073078212 /nfs/dbraw/zinc/07/82/12/1073078212.db2.gz HGOSLYJKBMCBIA-FQEVSTJZSA-N 1 0 388.468 -0.570 20 0 GBADRO CCN1CCN(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C(=O)C1=O ZINC000440510387 1073078381 /nfs/dbraw/zinc/07/83/81/1073078381.db2.gz HGOSLYJKBMCBIA-HXUWFJFHSA-N 1 0 388.468 -0.570 20 0 GBADRO NS(=O)(=O)N1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440515149 1073080831 /nfs/dbraw/zinc/08/08/31/1073080831.db2.gz YHORHZAOFXUERB-GOSISDBHSA-N 1 0 396.513 -0.345 20 0 GBADRO NS(=O)(=O)N1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440515158 1073080413 /nfs/dbraw/zinc/08/04/13/1073080413.db2.gz YHORHZAOFXUERB-SFHVURJKSA-N 1 0 396.513 -0.345 20 0 GBADRO CC(=O)NCCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440520900 1073080604 /nfs/dbraw/zinc/08/06/04/1073080604.db2.gz WMELHCWAIMQTCF-FQEVSTJZSA-N 1 0 390.484 -0.228 20 0 GBADRO CC(=O)NCCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440520901 1073080871 /nfs/dbraw/zinc/08/08/71/1073080871.db2.gz WMELHCWAIMQTCF-HXUWFJFHSA-N 1 0 390.484 -0.228 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000440533236 1073082171 /nfs/dbraw/zinc/08/21/71/1073082171.db2.gz QDXWCIMAIYMOCO-HNNXBMFYSA-N 1 0 389.456 -0.744 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)cc2)CC1 ZINC000440533239 1073081844 /nfs/dbraw/zinc/08/18/44/1073081844.db2.gz QDXWCIMAIYMOCO-OAHLLOKOSA-N 1 0 389.456 -0.744 20 0 GBADRO NC(=O)C1([NH2+]CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000440536886 1073082772 /nfs/dbraw/zinc/08/27/72/1073082772.db2.gz BBZJAJXUSWMYRU-AWEZNQCLSA-N 1 0 386.518 -0.905 20 0 GBADRO NC(=O)C1([NH2+]CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000440536889 1073083251 /nfs/dbraw/zinc/08/32/51/1073083251.db2.gz BBZJAJXUSWMYRU-CQSZACIVSA-N 1 0 386.518 -0.905 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+]C1(C(N)=O)CCCCC1)S(C)(=O)=O ZINC000440550741 530386814 /nfs/dbraw/zinc/38/68/14/530386814.db2.gz AIORUCKBGNTTDY-UHFFFAOYSA-N 1 0 376.523 -0.060 20 0 GBADRO COCCN(C(=O)C[NH2+]C1(C(N)=O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440551187 530269907 /nfs/dbraw/zinc/26/99/07/530269907.db2.gz BNEMGPLVHBWKHK-CYBMUJFWSA-N 1 0 375.491 -0.574 20 0 GBADRO COCCN(C(=O)C[NH2+]C1(C(N)=O)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000440551188 530270099 /nfs/dbraw/zinc/27/00/99/530270099.db2.gz BNEMGPLVHBWKHK-ZDUSSCGKSA-N 1 0 375.491 -0.574 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000440560805 1073084163 /nfs/dbraw/zinc/08/41/63/1073084163.db2.gz TWWIRIAJAOPWQP-UHFFFAOYSA-N 1 0 381.521 -0.177 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@@H](C)C1 ZINC000440568761 1073084861 /nfs/dbraw/zinc/08/48/61/1073084861.db2.gz AQYRAYYELJUSIB-AWEZNQCLSA-N 1 0 392.460 -0.767 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)[C@H](C)C1 ZINC000440568763 1073084929 /nfs/dbraw/zinc/08/49/29/1073084929.db2.gz AQYRAYYELJUSIB-CQSZACIVSA-N 1 0 392.460 -0.767 20 0 GBADRO CS(=O)(=O)NCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000440575217 1073085743 /nfs/dbraw/zinc/08/57/43/1073085743.db2.gz FSSOIKSKOPBJQN-GFCCVEGCSA-N 1 0 386.474 -0.354 20 0 GBADRO CS(=O)(=O)NCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000440575218 1073085217 /nfs/dbraw/zinc/08/52/17/1073085217.db2.gz FSSOIKSKOPBJQN-LBPRGKRZSA-N 1 0 386.474 -0.354 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000440642027 1073088405 /nfs/dbraw/zinc/08/84/05/1073088405.db2.gz XLPIZDWPTNZGKZ-LLVKDONJSA-N 1 0 380.449 -0.232 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000440642029 1073088012 /nfs/dbraw/zinc/08/80/12/1073088012.db2.gz XLPIZDWPTNZGKZ-NSHDSACASA-N 1 0 380.449 -0.232 20 0 GBADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000440657047 1073088525 /nfs/dbraw/zinc/08/85/25/1073088525.db2.gz VTBQQZILJXWEQD-AWEZNQCLSA-N 1 0 382.490 -0.732 20 0 GBADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000440657049 1073087938 /nfs/dbraw/zinc/08/79/38/1073087938.db2.gz VTBQQZILJXWEQD-CQSZACIVSA-N 1 0 382.490 -0.732 20 0 GBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CC(C)(CO)CO)CC1 ZINC000440665902 1073089664 /nfs/dbraw/zinc/08/96/64/1073089664.db2.gz HOUDAHXQVNVZRK-UHFFFAOYSA-N 1 0 381.477 -0.072 20 0 GBADRO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440666252 1073089377 /nfs/dbraw/zinc/08/93/77/1073089377.db2.gz OGGDXGWGCFADBF-UHFFFAOYSA-N 1 0 394.472 -0.035 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](CO)c2c(F)cccc2F)n1 ZINC000440678059 1073091613 /nfs/dbraw/zinc/09/16/13/1073091613.db2.gz LENWJDRGJLTKEO-ZDUSSCGKSA-N 1 0 381.383 0.511 20 0 GBADRO CC(C)[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCOCC1 ZINC000440693685 1073781356 /nfs/dbraw/zinc/78/13/56/1073781356.db2.gz PCUGCYRXKMLGQO-UHFFFAOYSA-N 1 0 396.532 -0.121 20 0 GBADRO CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440700700 1073093356 /nfs/dbraw/zinc/09/33/56/1073093356.db2.gz YHZDIRIGSJNVHO-UHFFFAOYSA-N 1 0 392.460 -0.097 20 0 GBADRO CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440705451 1073093367 /nfs/dbraw/zinc/09/33/67/1073093367.db2.gz OXWJCQKYDUTFEL-UHFFFAOYSA-N 1 0 392.460 -0.120 20 0 GBADRO CCn1c2ccc(S(=O)(=O)N(C)CC(=O)N3CC[NH2+]CC3)cc2oc1=O ZINC000440728261 1073093234 /nfs/dbraw/zinc/09/32/34/1073093234.db2.gz AGULQOZLPCWGLB-UHFFFAOYSA-N 1 0 382.442 -0.333 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000440732150 1073092846 /nfs/dbraw/zinc/09/28/46/1073092846.db2.gz HORBODGSBKAVOY-UHFFFAOYSA-N 1 0 385.442 -0.466 20 0 GBADRO COCCOc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000440732468 1073093172 /nfs/dbraw/zinc/09/31/72/1073093172.db2.gz HWNXZXIEUGHKIR-UHFFFAOYSA-N 1 0 389.449 -0.097 20 0 GBADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000440733807 1073094571 /nfs/dbraw/zinc/09/45/71/1073094571.db2.gz KZTAUXVKZKOESJ-UHFFFAOYSA-N 1 0 387.433 -0.027 20 0 GBADRO O=C([C@@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1)N1CC[NH2+]CC1 ZINC000440734136 1073094772 /nfs/dbraw/zinc/09/47/72/1073094772.db2.gz LDFPLKRYPGPPAE-GFCCVEGCSA-N 1 0 391.444 -0.019 20 0 GBADRO O=C([C@H]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1)N1CC[NH2+]CC1 ZINC000440734141 1073093675 /nfs/dbraw/zinc/09/36/75/1073093675.db2.gz LDFPLKRYPGPPAE-LBPRGKRZSA-N 1 0 391.444 -0.019 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000440734962 530387395 /nfs/dbraw/zinc/38/73/95/530387395.db2.gz NBPRDBAZUYDQJN-ZDUSSCGKSA-N 1 0 389.499 -0.262 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000440736243 1073094648 /nfs/dbraw/zinc/09/46/48/1073094648.db2.gz PMVQWUOFNPNDIL-UHFFFAOYSA-N 1 0 378.458 -0.621 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000440739642 1073093849 /nfs/dbraw/zinc/09/38/49/1073093849.db2.gz XITCXCNKADMYQD-UHFFFAOYSA-N 1 0 385.442 -0.466 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 ZINC000440740268 1073095192 /nfs/dbraw/zinc/09/51/92/1073095192.db2.gz DHIDMLGFPKGIRN-HNNXBMFYSA-N 1 0 392.485 -0.198 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 ZINC000440740271 1073094703 /nfs/dbraw/zinc/09/47/03/1073094703.db2.gz DHIDMLGFPKGIRN-OAHLLOKOSA-N 1 0 392.485 -0.198 20 0 GBADRO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1C ZINC000440744665 1073095336 /nfs/dbraw/zinc/09/53/36/1073095336.db2.gz GQMSFQAMISDHHS-GFCCVEGCSA-N 1 0 386.474 -0.323 20 0 GBADRO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1C ZINC000440744666 1073095838 /nfs/dbraw/zinc/09/58/38/1073095838.db2.gz GQMSFQAMISDHHS-LBPRGKRZSA-N 1 0 386.474 -0.323 20 0 GBADRO Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)[nH]1 ZINC000440746872 1073095665 /nfs/dbraw/zinc/09/56/65/1073095665.db2.gz KMWBQGXGDIFCEI-UHFFFAOYSA-N 1 0 395.427 -0.023 20 0 GBADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000440747549 530387401 /nfs/dbraw/zinc/38/74/01/530387401.db2.gz NCAPBKJNOWYZPH-JTQLQIEISA-N 1 0 388.877 -0.086 20 0 GBADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000440747550 530387303 /nfs/dbraw/zinc/38/73/03/530387303.db2.gz NCAPBKJNOWYZPH-SNVBAGLBSA-N 1 0 388.877 -0.086 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000440752191 530387360 /nfs/dbraw/zinc/38/73/60/530387360.db2.gz WXZZCBRWHNGTSM-GFCCVEGCSA-N 1 0 377.488 -0.359 20 0 GBADRO C[C@H]1N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCOC1(C)C ZINC000440785621 1073097572 /nfs/dbraw/zinc/09/75/72/1073097572.db2.gz LCUOQAUTEKGLLZ-CYBMUJFWSA-N 1 0 394.476 -0.475 20 0 GBADRO C[C@@H]1N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCOC1(C)C ZINC000440785623 1073097118 /nfs/dbraw/zinc/09/71/18/1073097118.db2.gz LCUOQAUTEKGLLZ-ZDUSSCGKSA-N 1 0 394.476 -0.475 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)c2)CC1 ZINC000440787961 1073097698 /nfs/dbraw/zinc/09/76/98/1073097698.db2.gz UBYVUSWBEOYPTQ-UHFFFAOYSA-N 1 0 399.455 -0.288 20 0 GBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC000440806841 1073097934 /nfs/dbraw/zinc/09/79/34/1073097934.db2.gz SSTHTDKUSQOWFY-UHFFFAOYSA-N 1 0 388.432 -0.182 20 0 GBADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440827837 530481179 /nfs/dbraw/zinc/48/11/79/530481179.db2.gz ASDPBKKLMGDUJW-UHFFFAOYSA-N 1 0 377.488 -0.453 20 0 GBADRO COCC[NH2+]CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000440828570 530270728 /nfs/dbraw/zinc/27/07/28/530270728.db2.gz UWCYJGPWTXTXGN-UHFFFAOYSA-N 1 0 386.396 -0.169 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000440830109 530270665 /nfs/dbraw/zinc/27/06/65/530270665.db2.gz XYPAGTHKVVROBC-JOCQHMNTSA-N 1 0 389.499 -0.216 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000440836011 530387365 /nfs/dbraw/zinc/38/73/65/530387365.db2.gz FPMGHQNXKPVPNN-GFCCVEGCSA-N 1 0 391.515 -0.111 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000440836012 530387393 /nfs/dbraw/zinc/38/73/93/530387393.db2.gz FPMGHQNXKPVPNN-LBPRGKRZSA-N 1 0 391.515 -0.111 20 0 GBADRO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440839033 530387450 /nfs/dbraw/zinc/38/74/50/530387450.db2.gz YOMHAXICVZFHSO-CYBMUJFWSA-N 1 0 389.499 -0.405 20 0 GBADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440839034 530387420 /nfs/dbraw/zinc/38/74/20/530387420.db2.gz YOMHAXICVZFHSO-ZDUSSCGKSA-N 1 0 389.499 -0.405 20 0 GBADRO COCC[NH2+]CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000440839610 530387336 /nfs/dbraw/zinc/38/73/36/530387336.db2.gz CAEGMJRYVJRWOI-UHFFFAOYSA-N 1 0 391.515 -0.015 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000440841254 1073097904 /nfs/dbraw/zinc/09/79/04/1073097904.db2.gz CJLKFMVXFGGWHQ-HWPZZCPQSA-N 1 0 382.442 -0.362 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440841255 1073098012 /nfs/dbraw/zinc/09/80/12/1073098012.db2.gz CJLKFMVXFGGWHQ-MGPLVRAMSA-N 1 0 382.442 -0.362 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000440841256 1073098004 /nfs/dbraw/zinc/09/80/04/1073098004.db2.gz CJLKFMVXFGGWHQ-QFYYESIMSA-N 1 0 382.442 -0.362 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000440841257 1073098653 /nfs/dbraw/zinc/09/86/53/1073098653.db2.gz CJLKFMVXFGGWHQ-QLJPJBMISA-N 1 0 382.442 -0.362 20 0 GBADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000440852386 530387438 /nfs/dbraw/zinc/38/74/38/530387438.db2.gz XXTORBABNNSGQI-UHFFFAOYSA-N 1 0 391.515 -0.144 20 0 GBADRO 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ZINC000441325511 1073117016 /nfs/dbraw/zinc/11/70/16/1073117016.db2.gz UJZVQXGQZZDSDM-UHFFFAOYSA-N 1 0 383.474 -0.073 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000441336923 1073116398 /nfs/dbraw/zinc/11/63/98/1073116398.db2.gz ANWDVVYMKJQLDI-KRWDZBQOSA-N 1 0 392.500 -0.056 20 0 GBADRO COc1ccccc1NC(=O)CN1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000441336926 1073116510 /nfs/dbraw/zinc/11/65/10/1073116510.db2.gz ANWDVVYMKJQLDI-QGZVFWFLSA-N 1 0 392.500 -0.056 20 0 GBADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(=O)n(C)c1=O ZINC000441349556 1073118841 /nfs/dbraw/zinc/11/88/41/1073118841.db2.gz GBCPHNBFPBRPJF-UHFFFAOYSA-N 1 0 388.396 -0.570 20 0 GBADRO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000441357634 1073118067 /nfs/dbraw/zinc/11/80/67/1073118067.db2.gz TYTOCNZLLQUEHV-GOSISDBHSA-N 1 0 394.428 -0.445 20 0 GBADRO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000441357637 1073118206 /nfs/dbraw/zinc/11/82/06/1073118206.db2.gz TYTOCNZLLQUEHV-SFHVURJKSA-N 1 0 394.428 -0.445 20 0 GBADRO CCC1(O)CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000441372162 1073119600 /nfs/dbraw/zinc/11/96/00/1073119600.db2.gz BMCRJJOXBMWWPY-UHFFFAOYSA-N 1 0 382.505 -0.774 20 0 GBADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000441373148 1073119784 /nfs/dbraw/zinc/11/97/84/1073119784.db2.gz AOPMXCUFVKQOOC-GDLVEWKHSA-N 1 0 380.470 -0.274 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000441373149 1073119545 /nfs/dbraw/zinc/11/95/45/1073119545.db2.gz AOPMXCUFVKQOOC-GLKRBJQHSA-N 1 0 380.470 -0.274 20 0 GBADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000441373150 1073119501 /nfs/dbraw/zinc/11/95/01/1073119501.db2.gz AOPMXCUFVKQOOC-OHUAYANFSA-N 1 0 380.470 -0.274 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000441373151 1073119568 /nfs/dbraw/zinc/11/95/68/1073119568.db2.gz AOPMXCUFVKQOOC-UVWXRNBGSA-N 1 0 380.470 -0.274 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000441407950 1073120455 /nfs/dbraw/zinc/12/04/55/1073120455.db2.gz IZKNEZRYIAFNAE-KRWDZBQOSA-N 1 0 381.521 -0.985 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000441407951 1073120236 /nfs/dbraw/zinc/12/02/36/1073120236.db2.gz IZKNEZRYIAFNAE-QGZVFWFLSA-N 1 0 381.521 -0.985 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)nc2)CC1 ZINC000441409855 1073121239 /nfs/dbraw/zinc/12/12/39/1073121239.db2.gz KBZMJQUGFBAZPC-UHFFFAOYSA-N 1 0 376.461 -0.124 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000441442273 1073165623 /nfs/dbraw/zinc/16/56/23/1073165623.db2.gz SUGCZRMVUBMASP-KBPBESRZSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000441442279 1073165493 /nfs/dbraw/zinc/16/54/93/1073165493.db2.gz SUGCZRMVUBMASP-KGLIPLIRSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000441442282 1073165481 /nfs/dbraw/zinc/16/54/81/1073165481.db2.gz SUGCZRMVUBMASP-UONOGXRCSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000441442285 1073165560 /nfs/dbraw/zinc/16/55/60/1073165560.db2.gz SUGCZRMVUBMASP-ZIAGYGMSSA-N 1 0 393.492 -0.021 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000441451668 530387707 /nfs/dbraw/zinc/38/77/07/530387707.db2.gz NSYBJZSFHFJMRF-HZSPNIEDSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000441451669 530387780 /nfs/dbraw/zinc/38/77/80/530387780.db2.gz NSYBJZSFHFJMRF-IHRRRGAJSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000441451670 530387720 /nfs/dbraw/zinc/38/77/20/530387720.db2.gz NSYBJZSFHFJMRF-MELADBBJSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000441451671 530387809 /nfs/dbraw/zinc/38/78/09/530387809.db2.gz NSYBJZSFHFJMRF-RDBSUJKOSA-N 1 0 376.523 -0.204 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C(N)=O)nc2)CC1 ZINC000441459202 1073168637 /nfs/dbraw/zinc/16/86/37/1073168637.db2.gz AGOQDYQRLHDUTR-UHFFFAOYSA-N 1 0 376.461 -0.078 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441478823 1073172306 /nfs/dbraw/zinc/17/23/06/1073172306.db2.gz YFXVQLDKRXDMBG-UHFFFAOYSA-N 1 0 386.522 -0.816 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000441491449 1073173867 /nfs/dbraw/zinc/17/38/67/1073173867.db2.gz NJSRYBQLFMFPFU-KBPBESRZSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000441491450 1073173405 /nfs/dbraw/zinc/17/34/05/1073173405.db2.gz NJSRYBQLFMFPFU-KGLIPLIRSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000441491451 1073173784 /nfs/dbraw/zinc/17/37/84/1073173784.db2.gz NJSRYBQLFMFPFU-UONOGXRCSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000441491452 1073173509 /nfs/dbraw/zinc/17/35/09/1073173509.db2.gz NJSRYBQLFMFPFU-ZIAGYGMSSA-N 1 0 376.461 -0.181 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441494852 1073174071 /nfs/dbraw/zinc/17/40/71/1073174071.db2.gz WMEPGMWKLFMWQS-DZGCQCFKSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441494856 1073174402 /nfs/dbraw/zinc/17/44/02/1073174402.db2.gz WMEPGMWKLFMWQS-HIFRSBDPSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441494859 1073174418 /nfs/dbraw/zinc/17/44/18/1073174418.db2.gz WMEPGMWKLFMWQS-UKRRQHHQSA-N 1 0 376.461 -0.148 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441494861 1073174289 /nfs/dbraw/zinc/17/42/89/1073174289.db2.gz WMEPGMWKLFMWQS-ZFWWWQNUSA-N 1 0 376.461 -0.148 20 0 GBADRO COCCOC1CN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000441510909 1073176855 /nfs/dbraw/zinc/17/68/55/1073176855.db2.gz FRXDPEBNXWELFG-UHFFFAOYSA-N 1 0 381.433 -0.972 20 0 GBADRO COc1ccnc(N2CCN(CCNS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000441511712 1073176662 /nfs/dbraw/zinc/17/66/62/1073176662.db2.gz PPCZLRZXEUWXNS-UHFFFAOYSA-N 1 0 380.474 -0.076 20 0 GBADRO COCCOC1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000441512149 1073176884 /nfs/dbraw/zinc/17/68/84/1073176884.db2.gz GXMMAUVRLXHUSJ-UHFFFAOYSA-N 1 0 378.429 -0.001 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000441528187 1073178851 /nfs/dbraw/zinc/17/88/51/1073178851.db2.gz YOVHOIXGGKTHAQ-UHFFFAOYSA-N 1 0 380.449 -0.295 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000441546872 530387768 /nfs/dbraw/zinc/38/77/68/530387768.db2.gz OGEDODVOCTYRAS-GFCCVEGCSA-N 1 0 379.504 -0.031 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000441546873 530387752 /nfs/dbraw/zinc/38/77/52/530387752.db2.gz OGEDODVOCTYRAS-LBPRGKRZSA-N 1 0 379.504 -0.031 20 0 GBADRO Cc1conc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000441556619 1073182179 /nfs/dbraw/zinc/18/21/79/1073182179.db2.gz KTUXFWNYXIRTHL-HNNXBMFYSA-N 1 0 387.440 0.327 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cncnc1 ZINC000441556902 1073182066 /nfs/dbraw/zinc/18/20/66/1073182066.db2.gz HOOJDHSTRKKXEP-INIZCTEOSA-N 1 0 384.440 -0.180 20 0 GBADRO COc1ncncc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000441557293 1073182084 /nfs/dbraw/zinc/18/20/84/1073182084.db2.gz IINJXNORSADBEC-LBPRGKRZSA-N 1 0 380.449 -0.368 20 0 GBADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cn(C)c1=O ZINC000441564256 1073181991 /nfs/dbraw/zinc/18/19/91/1073181991.db2.gz JEDSTOUFPMNCMB-HNNXBMFYSA-N 1 0 393.488 -0.159 20 0 GBADRO COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ncn1 ZINC000441567787 1073181998 /nfs/dbraw/zinc/18/19/98/1073181998.db2.gz PTCCEHZQEBVMLQ-LBPRGKRZSA-N 1 0 380.449 -0.368 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[NH+](C)C)CC2 ZINC000441568179 1073183088 /nfs/dbraw/zinc/18/30/88/1073183088.db2.gz PWZISCAHIVEIHT-UHFFFAOYSA-N 1 0 382.486 -0.058 20 0 GBADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(=O)n(C)c1 ZINC000441571351 1073182406 /nfs/dbraw/zinc/18/24/06/1073182406.db2.gz VVSPTGYEHJKXII-AWEZNQCLSA-N 1 0 393.488 -0.159 20 0 GBADRO Cn1nccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000441573746 1073182872 /nfs/dbraw/zinc/18/28/72/1073182872.db2.gz JCYZIQNNFUTYDO-HNNXBMFYSA-N 1 0 386.456 -0.236 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1C(=O)OC ZINC000441576981 1073183087 /nfs/dbraw/zinc/18/30/87/1073183087.db2.gz APMSVMZUEKOXKT-LLVKDONJSA-N 1 0 381.385 -0.763 20 0 GBADRO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1C(=O)OC ZINC000441576987 1073182960 /nfs/dbraw/zinc/18/29/60/1073182960.db2.gz APMSVMZUEKOXKT-NSHDSACASA-N 1 0 381.385 -0.763 20 0 GBADRO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc21 ZINC000441578979 1073182946 /nfs/dbraw/zinc/18/29/46/1073182946.db2.gz GSJPUKPKSGZHSM-HNNXBMFYSA-N 1 0 389.456 -0.293 20 0 GBADRO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc21 ZINC000441578997 1073182972 /nfs/dbraw/zinc/18/29/72/1073182972.db2.gz GSJPUKPKSGZHSM-OAHLLOKOSA-N 1 0 389.456 -0.293 20 0 GBADRO Cn1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cn1 ZINC000441582880 1073182916 /nfs/dbraw/zinc/18/29/16/1073182916.db2.gz ZRBAXQRSKHCJQF-INIZCTEOSA-N 1 0 386.456 -0.236 20 0 GBADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(OC)c(OC)c1 ZINC000441582985 1073183091 /nfs/dbraw/zinc/18/30/91/1073183091.db2.gz AIUHFKDGNDWODS-LLVKDONJSA-N 1 0 383.401 -0.532 20 0 GBADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(OC)c(OC)c1 ZINC000441582986 1073182986 /nfs/dbraw/zinc/18/29/86/1073182986.db2.gz AIUHFKDGNDWODS-NSHDSACASA-N 1 0 383.401 -0.532 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000441584110 1073183563 /nfs/dbraw/zinc/18/35/63/1073183563.db2.gz HIYFQRWKHWRDKU-AWEZNQCLSA-N 1 0 398.485 -0.587 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000441584111 1073183612 /nfs/dbraw/zinc/18/36/12/1073183612.db2.gz HIYFQRWKHWRDKU-CQSZACIVSA-N 1 0 398.485 -0.587 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cccc1S(=O)(=O)NC1CC1 ZINC000441590102 1073183824 /nfs/dbraw/zinc/18/38/24/1073183824.db2.gz NIINITQHMRVKHC-CYBMUJFWSA-N 1 0 398.485 -0.587 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cccc1S(=O)(=O)NC1CC1 ZINC000441590105 1073183608 /nfs/dbraw/zinc/18/36/08/1073183608.db2.gz NIINITQHMRVKHC-ZDUSSCGKSA-N 1 0 398.485 -0.587 20 0 GBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441591420 1073183822 /nfs/dbraw/zinc/18/38/22/1073183822.db2.gz ZEQOYPBZOZARTK-GFCCVEGCSA-N 1 0 391.407 -0.344 20 0 GBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000441591421 1073183677 /nfs/dbraw/zinc/18/36/77/1073183677.db2.gz ZEQOYPBZOZARTK-LBPRGKRZSA-N 1 0 391.407 -0.344 20 0 GBADRO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc21 ZINC000441592854 1073183616 /nfs/dbraw/zinc/18/36/16/1073183616.db2.gz SWKONYRGBKVQIF-AWEZNQCLSA-N 1 0 375.429 -0.636 20 0 GBADRO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc21 ZINC000441592856 1073183578 /nfs/dbraw/zinc/18/35/78/1073183578.db2.gz SWKONYRGBKVQIF-CQSZACIVSA-N 1 0 375.429 -0.636 20 0 GBADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441600002 1073184205 /nfs/dbraw/zinc/18/42/05/1073184205.db2.gz QYMSHPZOWPAYMV-UHFFFAOYSA-N 1 0 394.520 0.200 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H](C)C[NH3+])c2)CC1 ZINC000441601901 1073185074 /nfs/dbraw/zinc/18/50/74/1073185074.db2.gz LDSLEEKPRVOWIK-CYBMUJFWSA-N 1 0 382.486 -0.136 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)C[NH3+])c2)CC1 ZINC000441601905 1073185159 /nfs/dbraw/zinc/18/51/59/1073185159.db2.gz LDSLEEKPRVOWIK-ZDUSSCGKSA-N 1 0 382.486 -0.136 20 0 GBADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCS1 ZINC000441611059 1073185824 /nfs/dbraw/zinc/18/58/24/1073185824.db2.gz JZDSQWUYZDNFHD-INIZCTEOSA-N 1 0 384.546 -0.183 20 0 GBADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCS1 ZINC000441611064 1073185847 /nfs/dbraw/zinc/18/58/47/1073185847.db2.gz JZDSQWUYZDNFHD-MRXNPFEDSA-N 1 0 384.546 -0.183 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000441618069 1073185814 /nfs/dbraw/zinc/18/58/14/1073185814.db2.gz ZCQXCRLMDWIHJB-CYBMUJFWSA-N 1 0 382.486 -0.136 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000441618071 1073185999 /nfs/dbraw/zinc/18/59/99/1073185999.db2.gz ZCQXCRLMDWIHJB-ZDUSSCGKSA-N 1 0 382.486 -0.136 20 0 GBADRO COc1ccc(CC(=O)NC[C@H](C)C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000441624799 1073186812 /nfs/dbraw/zinc/18/68/12/1073186812.db2.gz XEGYJAPEDIBCKC-CYBMUJFWSA-N 1 0 385.486 -0.030 20 0 GBADRO COc1ccc(CC(=O)NC[C@@H](C)C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000441624806 1073186613 /nfs/dbraw/zinc/18/66/13/1073186613.db2.gz XEGYJAPEDIBCKC-ZDUSSCGKSA-N 1 0 385.486 -0.030 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000441625859 1073187216 /nfs/dbraw/zinc/18/72/16/1073187216.db2.gz ZQFNCZPUMPJJQS-GOSISDBHSA-N 1 0 395.548 -0.595 20 0 GBADRO CC[NH+](CC)[C@H]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000441625867 1073187249 /nfs/dbraw/zinc/18/72/49/1073187249.db2.gz ZQFNCZPUMPJJQS-SFHVURJKSA-N 1 0 395.548 -0.595 20 0 GBADRO C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)[C@@H](C)CN1CCC(=O)N1CCOCC1 ZINC000441631196 1073188067 /nfs/dbraw/zinc/18/80/67/1073188067.db2.gz DQWMWHLHIHVFBB-HDICACEKSA-N 1 0 396.532 -0.121 20 0 GBADRO CCS(=O)(=O)NCCN1C[C@H](C)N(CCNS(=O)(=O)CC)C[C@H]1C ZINC000441648657 530388083 /nfs/dbraw/zinc/38/80/83/530388083.db2.gz VBQXWXGCMSGMAS-OKILXGFUSA-N 1 0 384.568 -0.740 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(=O)NCC[NH+](C)C ZINC000441688427 1073192377 /nfs/dbraw/zinc/19/23/77/1073192377.db2.gz MKXRGVMHDVYXNN-ZDUSSCGKSA-N 1 0 392.460 -0.672 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)C(=O)NCC[NH+](C)C ZINC000441690009 1073192594 /nfs/dbraw/zinc/19/25/94/1073192594.db2.gz PJPIGIJMCXBURJ-ZDUSSCGKSA-N 1 0 393.492 -0.310 20 0 GBADRO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000441691548 1073192427 /nfs/dbraw/zinc/19/24/27/1073192427.db2.gz MZBOHYCIVAUASA-AWEZNQCLSA-N 1 0 393.488 -0.159 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)C(=O)NCC[NH+](C)C ZINC000441691596 1073192679 /nfs/dbraw/zinc/19/26/79/1073192679.db2.gz NGIHWDBASAVKTL-AWEZNQCLSA-N 1 0 393.492 -0.310 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)C(=O)NCC[NH+](C)C ZINC000441693334 1073192727 /nfs/dbraw/zinc/19/27/27/1073192727.db2.gz VJBQHKHUCMDZKR-AWEZNQCLSA-N 1 0 379.461 -0.468 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C(=O)NCC[NH+](C)C ZINC000441694280 1073193369 /nfs/dbraw/zinc/19/33/69/1073193369.db2.gz XFTJJPZQSARORI-ZDUSSCGKSA-N 1 0 395.508 0.180 20 0 GBADRO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000441695304 1073193389 /nfs/dbraw/zinc/19/33/89/1073193389.db2.gz ZKYNXFPHMXGKPV-AWEZNQCLSA-N 1 0 393.488 -0.159 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)C(=O)NCC[NH+](C)C ZINC000441703494 1073193394 /nfs/dbraw/zinc/19/33/94/1073193394.db2.gz ITLDDWBXBJIWRL-HNNXBMFYSA-N 1 0 391.472 -0.067 20 0 GBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)C(=O)NCC[NH+](C)C ZINC000441709274 1073193378 /nfs/dbraw/zinc/19/33/78/1073193378.db2.gz VFSGXOGYFRQYHD-AWEZNQCLSA-N 1 0 379.461 -0.468 20 0 GBADRO C[C@H](CO)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441710662 1073193825 /nfs/dbraw/zinc/19/38/25/1073193825.db2.gz AKPJEJWIFMGWEL-HNNXBMFYSA-N 1 0 378.473 -0.004 20 0 GBADRO C[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441710663 1073193865 /nfs/dbraw/zinc/19/38/65/1073193865.db2.gz AKPJEJWIFMGWEL-OAHLLOKOSA-N 1 0 378.473 -0.004 20 0 GBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441714509 1073194263 /nfs/dbraw/zinc/19/42/63/1073194263.db2.gz FCWKAJVMBVWSIY-INIZCTEOSA-N 1 0 394.472 -0.937 20 0 GBADRO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000441717530 1073193920 /nfs/dbraw/zinc/19/39/20/1073193920.db2.gz LZGJQCVSLXZYIU-AWEZNQCLSA-N 1 0 392.456 -0.786 20 0 GBADRO CN(CC(N)=O)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000441722715 1073194935 /nfs/dbraw/zinc/19/49/35/1073194935.db2.gz CQCIXLPMVIVMKD-HNNXBMFYSA-N 1 0 389.456 -0.265 20 0 GBADRO CN(CC(N)=O)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000441722716 1073194530 /nfs/dbraw/zinc/19/45/30/1073194530.db2.gz CQCIXLPMVIVMKD-OAHLLOKOSA-N 1 0 389.456 -0.265 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc1NC(=O)CC[NH+](C)C ZINC000441729616 1073195251 /nfs/dbraw/zinc/19/52/51/1073195251.db2.gz PNGSJFNCZUKPDM-AWEZNQCLSA-N 1 0 380.445 -0.365 20 0 GBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c2)CC1 ZINC000441743102 1073196957 /nfs/dbraw/zinc/19/69/57/1073196957.db2.gz NHFJVUVLPOVQDP-KRWDZBQOSA-N 1 0 378.473 -0.033 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)[NH+](C)C)CC2 ZINC000441773512 1073199928 /nfs/dbraw/zinc/19/99/28/1073199928.db2.gz BRSOKFDBYJJUTI-GFCCVEGCSA-N 1 0 382.486 -0.060 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C)[NH+](C)C)CC2 ZINC000441773514 1073199958 /nfs/dbraw/zinc/19/99/58/1073199958.db2.gz BRSOKFDBYJJUTI-LBPRGKRZSA-N 1 0 382.486 -0.060 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)nn1 ZINC000441777132 1073200579 /nfs/dbraw/zinc/20/05/79/1073200579.db2.gz LBHSYZBTQORULT-UHFFFAOYSA-N 1 0 388.428 -0.190 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000441800776 1073202921 /nfs/dbraw/zinc/20/29/21/1073202921.db2.gz YJICOYKOZJITGZ-UHFFFAOYSA-N 1 0 389.456 -0.266 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000441832278 1073228957 /nfs/dbraw/zinc/22/89/57/1073228957.db2.gz CQFLKGDCOIWCTO-UHFFFAOYSA-N 1 0 387.440 -0.076 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000441833400 1073229183 /nfs/dbraw/zinc/22/91/83/1073229183.db2.gz JHZOPXNZMWHDMT-UHFFFAOYSA-N 1 0 377.445 -0.155 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000441833591 1073229167 /nfs/dbraw/zinc/22/91/67/1073229167.db2.gz KHLUSEJEZXGIKY-UHFFFAOYSA-N 1 0 392.456 -0.208 20 0 GBADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1F ZINC000441833837 1073228921 /nfs/dbraw/zinc/22/89/21/1073228921.db2.gz POFHPCPOCPEIBG-UHFFFAOYSA-N 1 0 379.396 -0.257 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000441833881 1073229045 /nfs/dbraw/zinc/22/90/45/1073229045.db2.gz BEWZSIGYLDPNJX-UHFFFAOYSA-N 1 0 391.428 -0.629 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000441834516 1073229158 /nfs/dbraw/zinc/22/91/58/1073229158.db2.gz DQEBCFPVWXNGCB-UHFFFAOYSA-N 1 0 391.432 -0.354 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000441834596 1073228978 /nfs/dbraw/zinc/22/89/78/1073228978.db2.gz NZFBBXPLMFUBOD-UHFFFAOYSA-N 1 0 390.440 -0.032 20 0 GBADRO COc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1-n1cnnn1 ZINC000441834901 1073229187 /nfs/dbraw/zinc/22/91/87/1073229187.db2.gz PARMEDZIKYSOLK-UHFFFAOYSA-N 1 0 377.405 -0.696 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000441836087 1073229023 /nfs/dbraw/zinc/22/90/23/1073229023.db2.gz XGUIZTIOOQYUNG-UHFFFAOYSA-N 1 0 398.485 -0.141 20 0 GBADRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441836175 1073229060 /nfs/dbraw/zinc/22/90/60/1073229060.db2.gz XXGXLFRJXQVXGH-UHFFFAOYSA-N 1 0 379.461 -0.140 20 0 GBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441836746 1073229247 /nfs/dbraw/zinc/22/92/47/1073229247.db2.gz UVCVRYFQBGACGM-UHFFFAOYSA-N 1 0 386.474 -0.464 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000441837005 1073228897 /nfs/dbraw/zinc/22/88/97/1073228897.db2.gz GYHKROPWQAQZNY-UHFFFAOYSA-N 1 0 390.440 -0.032 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)c2ccccc2O1 ZINC000441838819 1073228873 /nfs/dbraw/zinc/22/88/73/1073228873.db2.gz DSWCREXEGVTYMJ-HNNXBMFYSA-N 1 0 378.429 -0.779 20 0 GBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)c2ccccc2O1 ZINC000441838825 1073229948 /nfs/dbraw/zinc/22/99/48/1073229948.db2.gz DSWCREXEGVTYMJ-OAHLLOKOSA-N 1 0 378.429 -0.779 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1NS(C)(=O)=O ZINC000441838895 1073229700 /nfs/dbraw/zinc/22/97/00/1073229700.db2.gz MGIFETMCUFSHBW-UHFFFAOYSA-N 1 0 386.474 -0.001 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441839187 1073229052 /nfs/dbraw/zinc/22/90/52/1073229052.db2.gz FQLXMMIYHNHRNZ-UHFFFAOYSA-N 1 0 386.474 -0.430 20 0 GBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)c1=O ZINC000441839238 1073229228 /nfs/dbraw/zinc/22/92/28/1073229228.db2.gz AWLKMZUCUXGHSP-UHFFFAOYSA-N 1 0 376.417 -0.796 20 0 GBADRO CN(c1ccccc1NC(=O)C(=O)NCCOCC[NH+](C)C)S(C)(=O)=O ZINC000441841864 1073229996 /nfs/dbraw/zinc/22/99/96/1073229996.db2.gz XWPIYHIRVKWHHU-UHFFFAOYSA-N 1 0 386.474 -0.285 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1C ZINC000441841925 1073229905 /nfs/dbraw/zinc/22/99/05/1073229905.db2.gz AUIMKGYJPLKYSN-UHFFFAOYSA-N 1 0 386.474 -0.464 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1C ZINC000441842225 1073229731 /nfs/dbraw/zinc/22/97/31/1073229731.db2.gz MKQYNSSSHGPZCF-UHFFFAOYSA-N 1 0 386.474 -0.464 20 0 GBADRO COc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1-n1nnnc1C ZINC000441842766 1073229192 /nfs/dbraw/zinc/22/91/92/1073229192.db2.gz NQLLGSCKUKSNGY-UHFFFAOYSA-N 1 0 391.432 -0.388 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000441843428 1073229241 /nfs/dbraw/zinc/22/92/41/1073229241.db2.gz VWAQGBMMIPUTRL-UHFFFAOYSA-N 1 0 398.485 -0.240 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441845439 1073230765 /nfs/dbraw/zinc/23/07/65/1073230765.db2.gz RPEUOBOIJNXNFS-UHFFFAOYSA-N 1 0 386.474 -0.430 20 0 GBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441847729 1073230775 /nfs/dbraw/zinc/23/07/75/1073230775.db2.gz HKJBSXHMAJWOOJ-UHFFFAOYSA-N 1 0 378.408 0.348 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000441848670 1073230695 /nfs/dbraw/zinc/23/06/95/1073230695.db2.gz VIDVEUUIDNYYTQ-UHFFFAOYSA-N 1 0 386.474 -0.631 20 0 GBADRO CCc1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1S(N)(=O)=O ZINC000441848750 1073230547 /nfs/dbraw/zinc/23/05/47/1073230547.db2.gz YOKNAUFQEGAJKJ-UHFFFAOYSA-N 1 0 386.474 -0.471 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000441848990 1073230450 /nfs/dbraw/zinc/23/04/50/1073230450.db2.gz POZXLNXDNYNJFN-UHFFFAOYSA-N 1 0 398.485 -0.141 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000441849060 1073230561 /nfs/dbraw/zinc/23/05/61/1073230561.db2.gz JVUCXCYNBYVCFD-AWEZNQCLSA-N 1 0 390.440 -0.475 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000441849062 1073230541 /nfs/dbraw/zinc/23/05/41/1073230541.db2.gz JVUCXCYNBYVCFD-CQSZACIVSA-N 1 0 390.440 -0.475 20 0 GBADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441849607 1073230534 /nfs/dbraw/zinc/23/05/34/1073230534.db2.gz XZNWZIVYHRPNQE-UHFFFAOYSA-N 1 0 392.456 -0.145 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000441849688 1073230713 /nfs/dbraw/zinc/23/07/13/1073230713.db2.gz QUGNHHQNERZZOS-UHFFFAOYSA-N 1 0 392.456 -0.208 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000441850047 1073230682 /nfs/dbraw/zinc/23/06/82/1073230682.db2.gz SGXXXVSKNFECQT-UHFFFAOYSA-N 1 0 392.456 -0.208 20 0 GBADRO Cc1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)n(-c2ccc(C)nn2)n1 ZINC000441850426 1073230787 /nfs/dbraw/zinc/23/07/87/1073230787.db2.gz UCFFOOMNRUOPST-UHFFFAOYSA-N 1 0 375.433 -0.088 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000441850875 1073230817 /nfs/dbraw/zinc/23/08/17/1073230817.db2.gz PCPHJMUTODSOBM-UHFFFAOYSA-N 1 0 398.485 -0.358 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCOCC[NH+](C)C)CC2 ZINC000441851513 1073230594 /nfs/dbraw/zinc/23/05/94/1073230594.db2.gz UIZROFQIFDTXRZ-UHFFFAOYSA-N 1 0 398.485 -0.822 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441858844 1073229765 /nfs/dbraw/zinc/22/97/65/1073229765.db2.gz LUHAKYFERQGIQZ-UHFFFAOYSA-N 1 0 375.433 -0.007 20 0 GBADRO COCC(=O)N1CCc2cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc21 ZINC000441865594 1073232041 /nfs/dbraw/zinc/23/20/41/1073232041.db2.gz CHOYWCNUCRGEQQ-UHFFFAOYSA-N 1 0 392.456 -0.145 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1C ZINC000441877437 1073231269 /nfs/dbraw/zinc/23/12/69/1073231269.db2.gz YXCMOWSGFVZANO-UHFFFAOYSA-N 1 0 386.474 -0.416 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOCC(N)=O)c(C)c2)CC1 ZINC000441886715 1073231897 /nfs/dbraw/zinc/23/18/97/1073231897.db2.gz RMQQDRUYDGJUIZ-UHFFFAOYSA-N 1 0 391.472 -0.306 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCOCC(N)=O)cc2)CC1 ZINC000441890088 1073232205 /nfs/dbraw/zinc/23/22/05/1073232205.db2.gz NYOJLOYUHYTHOD-UHFFFAOYSA-N 1 0 391.472 -0.619 20 0 GBADRO C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)C[C@H](C)O1 ZINC000441902346 1073232660 /nfs/dbraw/zinc/23/26/60/1073232660.db2.gz QUGHJUTZFUKRJW-KBPBESRZSA-N 1 0 392.456 -0.148 20 0 GBADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)C[C@H](C)O1 ZINC000441902348 1073232843 /nfs/dbraw/zinc/23/28/43/1073232843.db2.gz QUGHJUTZFUKRJW-OKILXGFUSA-N 1 0 392.456 -0.148 20 0 GBADRO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)C[C@@H](C)O1 ZINC000441902350 1073232772 /nfs/dbraw/zinc/23/27/72/1073232772.db2.gz QUGHJUTZFUKRJW-ZIAGYGMSSA-N 1 0 392.456 -0.148 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cn(CC(=O)OC)nn2)CC1=O ZINC000441902589 1073233411 /nfs/dbraw/zinc/23/34/11/1073233411.db2.gz RDBFPZZHOTYAKD-DZGCQCFKSA-N 1 0 392.460 -0.600 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cn(CC(=O)OC)nn2)CC1=O ZINC000441902592 1073233533 /nfs/dbraw/zinc/23/35/33/1073233533.db2.gz RDBFPZZHOTYAKD-HIFRSBDPSA-N 1 0 392.460 -0.600 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cn(CC(=O)OC)nn2)CC1=O ZINC000441902594 1073233347 /nfs/dbraw/zinc/23/33/47/1073233347.db2.gz RDBFPZZHOTYAKD-UKRRQHHQSA-N 1 0 392.460 -0.600 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cn(CC(=O)OC)nn2)CC1=O ZINC000441902595 1073233607 /nfs/dbraw/zinc/23/36/07/1073233607.db2.gz RDBFPZZHOTYAKD-ZFWWWQNUSA-N 1 0 392.460 -0.600 20 0 GBADRO CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903708 1073233468 /nfs/dbraw/zinc/23/34/68/1073233468.db2.gz DLMWUSVRCHALGY-CRWXNKLISA-N 1 0 398.508 -0.151 20 0 GBADRO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903709 1073233237 /nfs/dbraw/zinc/23/32/37/1073233237.db2.gz DLMWUSVRCHALGY-KPWCQOOUSA-N 1 0 398.508 -0.151 20 0 GBADRO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903710 1073233589 /nfs/dbraw/zinc/23/35/89/1073233589.db2.gz DLMWUSVRCHALGY-LVEBTZEWSA-N 1 0 398.508 -0.151 20 0 GBADRO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)N([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903711 1073233617 /nfs/dbraw/zinc/23/36/17/1073233617.db2.gz DLMWUSVRCHALGY-XJFOESAGSA-N 1 0 398.508 -0.151 20 0 GBADRO CNS(=O)(=O)CCCN1C[C@@H](C)[N@H+](CCCS(=O)(=O)NC)C[C@@H]1C ZINC000441905727 530388173 /nfs/dbraw/zinc/38/81/73/530388173.db2.gz BRGCNQPXLHDPFN-OKILXGFUSA-N 1 0 384.568 -0.740 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)Cc2ccccc2C1 ZINC000441917326 1073233570 /nfs/dbraw/zinc/23/35/70/1073233570.db2.gz DLIIQOODTJWHFR-UHFFFAOYSA-N 1 0 384.440 -0.478 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(CC(C)(C)O)C2CC2)cn1 ZINC000441928381 1073234025 /nfs/dbraw/zinc/23/40/25/1073234025.db2.gz FPMXFNDEGIOCMB-UHFFFAOYSA-N 1 0 394.476 -0.739 20 0 GBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000441935620 1073234428 /nfs/dbraw/zinc/23/44/28/1073234428.db2.gz OXTOCVQPFPYWIS-UHFFFAOYSA-N 1 0 375.429 -0.607 20 0 GBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000441942270 1073233995 /nfs/dbraw/zinc/23/39/95/1073233995.db2.gz OPMKIYUDVIBTAI-UHFFFAOYSA-N 1 0 392.460 -0.767 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000441960331 1073234518 /nfs/dbraw/zinc/23/45/18/1073234518.db2.gz NZHDYQRSBIVDNJ-AWEZNQCLSA-N 1 0 399.455 -0.091 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000441960333 1073234128 /nfs/dbraw/zinc/23/41/28/1073234128.db2.gz NZHDYQRSBIVDNJ-CQSZACIVSA-N 1 0 399.455 -0.091 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1CC[NH+](C)CC1)CC2 ZINC000441963753 1073234789 /nfs/dbraw/zinc/23/47/89/1073234789.db2.gz YBLINEZMFWGRRL-UHFFFAOYSA-N 1 0 394.497 -0.058 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CC[N@H+](C)C1)CC2 ZINC000441970939 1073235545 /nfs/dbraw/zinc/23/55/45/1073235545.db2.gz SPCZXBSAANJKRW-CYBMUJFWSA-N 1 0 394.497 -0.058 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1)CC2 ZINC000441970942 1073235873 /nfs/dbraw/zinc/23/58/73/1073235873.db2.gz SPCZXBSAANJKRW-ZDUSSCGKSA-N 1 0 394.497 -0.058 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000441971026 1073235550 /nfs/dbraw/zinc/23/55/50/1073235550.db2.gz SYOZZXWKIOTIHO-AWEZNQCLSA-N 1 0 388.424 -0.119 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000441971028 1073235502 /nfs/dbraw/zinc/23/55/02/1073235502.db2.gz SYOZZXWKIOTIHO-CQSZACIVSA-N 1 0 388.424 -0.119 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000441972445 1073235830 /nfs/dbraw/zinc/23/58/30/1073235830.db2.gz AIQGZGFZELTXEG-AWEZNQCLSA-N 1 0 399.455 -0.091 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccnc2-n2cccn2)C1 ZINC000441972448 1073235479 /nfs/dbraw/zinc/23/54/79/1073235479.db2.gz AIQGZGFZELTXEG-CQSZACIVSA-N 1 0 399.455 -0.091 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC(N)=O ZINC000441975095 1073234860 /nfs/dbraw/zinc/23/48/60/1073234860.db2.gz ZSNNLRLIUJBQKL-GFCCVEGCSA-N 1 0 376.413 -0.149 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC(N)=O ZINC000441975097 1073234975 /nfs/dbraw/zinc/23/49/75/1073234975.db2.gz ZSNNLRLIUJBQKL-LBPRGKRZSA-N 1 0 376.413 -0.149 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C)CC2 ZINC000441977098 1073234926 /nfs/dbraw/zinc/23/49/26/1073234926.db2.gz MTAYQHRJPGWMLS-INIZCTEOSA-N 1 0 394.497 -0.060 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C)CC2 ZINC000441977100 1073235034 /nfs/dbraw/zinc/23/50/34/1073235034.db2.gz MTAYQHRJPGWMLS-MRXNPFEDSA-N 1 0 394.497 -0.060 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000441978820 1073234845 /nfs/dbraw/zinc/23/48/45/1073234845.db2.gz PJMQZOIOULGHGN-CYBMUJFWSA-N 1 0 384.458 -0.630 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000441978821 1073234801 /nfs/dbraw/zinc/23/48/01/1073234801.db2.gz PJMQZOIOULGHGN-ZDUSSCGKSA-N 1 0 384.458 -0.630 20 0 GBADRO COc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1-n1cnnn1 ZINC000441979446 1073235044 /nfs/dbraw/zinc/23/50/44/1073235044.db2.gz QRAMZGLXTPHPFB-UHFFFAOYSA-N 1 0 382.384 -0.345 20 0 GBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000441980721 1073234891 /nfs/dbraw/zinc/23/48/91/1073234891.db2.gz SWYKBOCRLHHTMQ-AWEZNQCLSA-N 1 0 389.456 -0.312 20 0 GBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000441980723 1073235066 /nfs/dbraw/zinc/23/50/66/1073235066.db2.gz SWYKBOCRLHHTMQ-CQSZACIVSA-N 1 0 389.456 -0.312 20 0 GBADRO CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441982478 1073236379 /nfs/dbraw/zinc/23/63/79/1073236379.db2.gz WERRZGAZDMLMBB-GOSISDBHSA-N 1 0 389.412 0.415 20 0 GBADRO CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441982480 1073236405 /nfs/dbraw/zinc/23/64/05/1073236405.db2.gz WERRZGAZDMLMBB-SFHVURJKSA-N 1 0 389.412 0.415 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000441982552 1073236264 /nfs/dbraw/zinc/23/62/64/1073236264.db2.gz CJAKHDPZHVFSDZ-CYBMUJFWSA-N 1 0 384.458 -0.582 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000441982553 1073236385 /nfs/dbraw/zinc/23/63/85/1073236385.db2.gz CJAKHDPZHVFSDZ-ZDUSSCGKSA-N 1 0 384.458 -0.582 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000441984634 1073236417 /nfs/dbraw/zinc/23/64/17/1073236417.db2.gz GWPXKWNXCDSPDU-CYBMUJFWSA-N 1 0 378.429 -0.284 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000441984636 1073236120 /nfs/dbraw/zinc/23/61/20/1073236120.db2.gz GWPXKWNXCDSPDU-ZDUSSCGKSA-N 1 0 378.429 -0.284 20 0 GBADRO CNC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000441985699 1073236354 /nfs/dbraw/zinc/23/63/54/1073236354.db2.gz FXEBDNVUBGBHKU-AWEZNQCLSA-N 1 0 389.456 -0.312 20 0 GBADRO CNC(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000441985701 1073236345 /nfs/dbraw/zinc/23/63/45/1073236345.db2.gz FXEBDNVUBGBHKU-CQSZACIVSA-N 1 0 389.456 -0.312 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000441990920 1073237032 /nfs/dbraw/zinc/23/70/32/1073237032.db2.gz XGKGODFTGPVEJF-AWEZNQCLSA-N 1 0 399.455 -0.091 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000441990921 1073237305 /nfs/dbraw/zinc/23/73/05/1073237305.db2.gz XGKGODFTGPVEJF-CQSZACIVSA-N 1 0 399.455 -0.091 20 0 GBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000441991019 1073237268 /nfs/dbraw/zinc/23/72/68/1073237268.db2.gz ZJUDHAZUWXFYAN-AWEZNQCLSA-N 1 0 378.429 -0.413 20 0 GBADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000441991023 1073237081 /nfs/dbraw/zinc/23/70/81/1073237081.db2.gz ZJUDHAZUWXFYAN-CQSZACIVSA-N 1 0 378.429 -0.413 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[NH+]1CCCC1)CC2 ZINC000441992256 1073237007 /nfs/dbraw/zinc/23/70/07/1073237007.db2.gz OGUQJCTZGWYHBP-UHFFFAOYSA-N 1 0 380.470 -0.304 20 0 GBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1C(N)=O ZINC000441992351 1073236958 /nfs/dbraw/zinc/23/69/58/1073236958.db2.gz XIRVOEFQWYTZFO-CYBMUJFWSA-N 1 0 389.456 -0.264 20 0 GBADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1C(N)=O ZINC000441992352 1073236873 /nfs/dbraw/zinc/23/68/73/1073236873.db2.gz XIRVOEFQWYTZFO-ZDUSSCGKSA-N 1 0 389.456 -0.264 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+](C)C(C)C)CC2 ZINC000441993935 1073237153 /nfs/dbraw/zinc/23/71/53/1073237153.db2.gz BNSARNPNSKLIJD-UHFFFAOYSA-N 1 0 382.486 -0.060 20 0 GBADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000441994153 1073237245 /nfs/dbraw/zinc/23/72/45/1073237245.db2.gz BQRJPHLAUJEGEZ-UHFFFAOYSA-N 1 0 388.472 -0.053 20 0 GBADRO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000441994241 1073237228 /nfs/dbraw/zinc/23/72/28/1073237228.db2.gz CCIBEECPEWKMKP-HNNXBMFYSA-N 1 0 392.456 -0.023 20 0 GBADRO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000441994243 1073236937 /nfs/dbraw/zinc/23/69/37/1073236937.db2.gz CCIBEECPEWKMKP-OAHLLOKOSA-N 1 0 392.456 -0.023 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000441995100 1073237116 /nfs/dbraw/zinc/23/71/16/1073237116.db2.gz DUVZXRDQDSIODX-AWEZNQCLSA-N 1 0 377.445 -0.306 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000441995101 1073237128 /nfs/dbraw/zinc/23/71/28/1073237128.db2.gz DUVZXRDQDSIODX-CQSZACIVSA-N 1 0 377.445 -0.306 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+](C)CC)CC2 ZINC000441995673 1073235684 /nfs/dbraw/zinc/23/56/84/1073235684.db2.gz AXJJYNACKMEWHD-UHFFFAOYSA-N 1 0 382.486 -0.058 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000441996137 1073237285 /nfs/dbraw/zinc/23/72/85/1073237285.db2.gz CDJDXPYNEWEHCL-CYBMUJFWSA-N 1 0 398.485 -0.288 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000441996142 1073236989 /nfs/dbraw/zinc/23/69/89/1073236989.db2.gz CDJDXPYNEWEHCL-ZDUSSCGKSA-N 1 0 398.485 -0.288 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1S(N)(=O)=O ZINC000441996944 1073235762 /nfs/dbraw/zinc/23/57/62/1073235762.db2.gz HYLLWKMKTAAKLD-AWEZNQCLSA-N 1 0 398.485 -0.328 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1S(N)(=O)=O ZINC000441996947 1073235510 /nfs/dbraw/zinc/23/55/10/1073235510.db2.gz HYLLWKMKTAAKLD-CQSZACIVSA-N 1 0 398.485 -0.328 20 0 GBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000441999017 1073235852 /nfs/dbraw/zinc/23/58/52/1073235852.db2.gz IEJXIKIXPDSZIZ-CABCVRRESA-N 1 0 376.461 -0.005 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000442001474 1073236456 /nfs/dbraw/zinc/23/64/56/1073236456.db2.gz KUAKKXWRYVIFEX-HNNXBMFYSA-N 1 0 398.485 -0.489 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000442001483 1073236396 /nfs/dbraw/zinc/23/63/96/1073236396.db2.gz KUAKKXWRYVIFEX-OAHLLOKOSA-N 1 0 398.485 -0.489 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000442001846 1073236447 /nfs/dbraw/zinc/23/64/47/1073236447.db2.gz SLIGZZYEXVHJRA-LLVKDONJSA-N 1 0 388.421 -0.752 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000442001853 1073236157 /nfs/dbraw/zinc/23/61/57/1073236157.db2.gz SLIGZZYEXVHJRA-NSHDSACASA-N 1 0 388.421 -0.752 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C1 ZINC000442002706 1073237762 /nfs/dbraw/zinc/23/77/62/1073237762.db2.gz PMDTXNZQIIQTLP-AWEZNQCLSA-N 1 0 375.429 -0.008 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C1 ZINC000442002709 1073237622 /nfs/dbraw/zinc/23/76/22/1073237622.db2.gz PMDTXNZQIIQTLP-CQSZACIVSA-N 1 0 375.429 -0.008 20 0 GBADRO COc1cc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc(OC)c1 ZINC000442010002 1073238525 /nfs/dbraw/zinc/23/85/25/1073238525.db2.gz GEWWVMQYPITGDV-GOSISDBHSA-N 1 0 381.429 -0.158 20 0 GBADRO COc1cc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc(OC)c1 ZINC000442010004 1073238389 /nfs/dbraw/zinc/23/83/89/1073238389.db2.gz GEWWVMQYPITGDV-SFHVURJKSA-N 1 0 381.429 -0.158 20 0 GBADRO C[C@@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)CN1CCOCC1 ZINC000442011317 1073238364 /nfs/dbraw/zinc/23/83/64/1073238364.db2.gz CDXDJASPAHQONY-GOSISDBHSA-N 1 0 379.413 -0.404 20 0 GBADRO C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)CN1CCOCC1 ZINC000442011319 1073238499 /nfs/dbraw/zinc/23/84/99/1073238499.db2.gz CDXDJASPAHQONY-SFHVURJKSA-N 1 0 379.413 -0.404 20 0 GBADRO COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000442012050 1073238151 /nfs/dbraw/zinc/23/81/51/1073238151.db2.gz NWSKLDSLTJQDCF-IBGZPJMESA-N 1 0 393.440 -0.080 20 0 GBADRO COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000442012053 1073238188 /nfs/dbraw/zinc/23/81/88/1073238188.db2.gz NWSKLDSLTJQDCF-LJQANCHMSA-N 1 0 393.440 -0.080 20 0 GBADRO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)CN1CCOCC1 ZINC000442012375 1073238506 /nfs/dbraw/zinc/23/85/06/1073238506.db2.gz GDSVXCAWDKVNFG-GOSISDBHSA-N 1 0 389.412 -0.126 20 0 GBADRO C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)CN1CCOCC1 ZINC000442012376 1073238475 /nfs/dbraw/zinc/23/84/75/1073238475.db2.gz GDSVXCAWDKVNFG-SFHVURJKSA-N 1 0 389.412 -0.126 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000442012383 1073238299 /nfs/dbraw/zinc/23/82/99/1073238299.db2.gz GFVGGDYWFSJXFF-AWEZNQCLSA-N 1 0 389.412 -0.672 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000442012384 1073238332 /nfs/dbraw/zinc/23/83/32/1073238332.db2.gz GFVGGDYWFSJXFF-CQSZACIVSA-N 1 0 389.412 -0.672 20 0 GBADRO COCCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cn1 ZINC000442013403 1073238339 /nfs/dbraw/zinc/23/83/39/1073238339.db2.gz RABFLVPLUFRJIH-GOSISDBHSA-N 1 0 396.444 -0.755 20 0 GBADRO COCCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cn1 ZINC000442013404 1073238263 /nfs/dbraw/zinc/23/82/63/1073238263.db2.gz RABFLVPLUFRJIH-SFHVURJKSA-N 1 0 396.444 -0.755 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000442017649 1073237746 /nfs/dbraw/zinc/23/77/46/1073237746.db2.gz KFMVSDBRKKIKAC-AWEZNQCLSA-N 1 0 399.459 -0.299 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000442017650 1073237805 /nfs/dbraw/zinc/23/78/05/1073237805.db2.gz KFMVSDBRKKIKAC-CQSZACIVSA-N 1 0 399.459 -0.299 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC(CCO)C3)cc21 ZINC000442019141 1073239590 /nfs/dbraw/zinc/23/95/90/1073239590.db2.gz BXUBZANFEYYVQV-UHFFFAOYSA-N 1 0 376.413 -0.065 20 0 GBADRO COCC[N@H+](C)CCNC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000442023914 1073240105 /nfs/dbraw/zinc/24/01/05/1073240105.db2.gz KWIOKUHLVPFUDL-UHFFFAOYSA-N 1 0 387.448 -0.441 20 0 GBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000442027157 1073240515 /nfs/dbraw/zinc/24/05/15/1073240515.db2.gz OCFKEFWMFBANKQ-IBGZPJMESA-N 1 0 378.473 -0.114 20 0 GBADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000442027160 1073240639 /nfs/dbraw/zinc/24/06/39/1073240639.db2.gz OCFKEFWMFBANKQ-LJQANCHMSA-N 1 0 378.473 -0.114 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000442031922 1073241503 /nfs/dbraw/zinc/24/15/03/1073241503.db2.gz NOADATHABYNTGA-AWEZNQCLSA-N 1 0 389.412 -0.672 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000442031923 1073241150 /nfs/dbraw/zinc/24/11/50/1073241150.db2.gz NOADATHABYNTGA-CQSZACIVSA-N 1 0 389.412 -0.672 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1 ZINC000442032868 1073242130 /nfs/dbraw/zinc/24/21/30/1073242130.db2.gz OQHPMFGTBBQYKD-FQEVSTJZSA-N 1 0 392.500 -0.071 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 ZINC000442032875 1073242061 /nfs/dbraw/zinc/24/20/61/1073242061.db2.gz OQHPMFGTBBQYKD-HXUWFJFHSA-N 1 0 392.500 -0.071 20 0 GBADRO COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000442043881 1073243130 /nfs/dbraw/zinc/24/31/30/1073243130.db2.gz NOUWGEFLHCUVJK-GOSISDBHSA-N 1 0 397.403 -0.250 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062548 1073243559 /nfs/dbraw/zinc/24/35/59/1073243559.db2.gz KNAAZAXLPSNMFS-CYBMUJFWSA-N 1 0 387.444 -0.096 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000442062551 1073243462 /nfs/dbraw/zinc/24/34/62/1073243462.db2.gz KNAAZAXLPSNMFS-ZDUSSCGKSA-N 1 0 387.444 -0.096 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084143 1073244258 /nfs/dbraw/zinc/24/42/58/1073244258.db2.gz SYMPQYFZBKAGGR-AWEZNQCLSA-N 1 0 380.493 -0.313 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084148 1073243827 /nfs/dbraw/zinc/24/38/27/1073243827.db2.gz SYMPQYFZBKAGGR-CQSZACIVSA-N 1 0 380.493 -0.313 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H]1C(=O)OC ZINC000442111890 1073245684 /nfs/dbraw/zinc/24/56/84/1073245684.db2.gz PAIUHMQHGZZFPN-GUTXKFCHSA-N 1 0 383.445 -0.650 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C(=O)OC ZINC000442111893 1073245581 /nfs/dbraw/zinc/24/55/81/1073245581.db2.gz PAIUHMQHGZZFPN-GZBFAFLISA-N 1 0 383.445 -0.650 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H]1C(=O)OC ZINC000442111895 1073245748 /nfs/dbraw/zinc/24/57/48/1073245748.db2.gz PAIUHMQHGZZFPN-NFAWXSAZSA-N 1 0 383.445 -0.650 20 0 GBADRO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H]1C(=O)OC ZINC000442111897 1073245472 /nfs/dbraw/zinc/24/54/72/1073245472.db2.gz PAIUHMQHGZZFPN-UMVBOHGHSA-N 1 0 383.445 -0.650 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1 ZINC000442145622 1073247240 /nfs/dbraw/zinc/24/72/40/1073247240.db2.gz ZYVGFERMFQRTCQ-UHFFFAOYSA-N 1 0 386.474 -0.382 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000442157693 1073247980 /nfs/dbraw/zinc/24/79/80/1073247980.db2.gz PABFPTFMIIPGQZ-UHFFFAOYSA-N 1 0 376.413 -0.065 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000442159759 1073247885 /nfs/dbraw/zinc/24/78/85/1073247885.db2.gz ZRZDXYUEZXXURV-UHFFFAOYSA-N 1 0 392.460 -0.959 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000442161560 1073248028 /nfs/dbraw/zinc/24/80/28/1073248028.db2.gz JCVZEWFYNWKYJP-UHFFFAOYSA-N 1 0 398.485 -0.311 20 0 GBADRO C[NH+](C)CC1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000442165757 1073247430 /nfs/dbraw/zinc/24/74/30/1073247430.db2.gz AJOXIZPDWFRLIY-UHFFFAOYSA-N 1 0 385.490 -0.372 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000442171817 1073248092 /nfs/dbraw/zinc/24/80/92/1073248092.db2.gz UZFGPUIFGRXEEF-UHFFFAOYSA-N 1 0 386.474 -0.237 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000442176389 1073248077 /nfs/dbraw/zinc/24/80/77/1073248077.db2.gz XBJPIZXUPDBBKW-UHFFFAOYSA-N 1 0 379.396 -0.209 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000442178047 530388554 /nfs/dbraw/zinc/38/85/54/530388554.db2.gz ZTKLUTMMTPPABJ-UHFFFAOYSA-N 1 0 375.422 -0.090 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000442179603 530388482 /nfs/dbraw/zinc/38/84/82/530388482.db2.gz DHAFFGBLYWCATQ-UHFFFAOYSA-N 1 0 389.250 -0.171 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000442179882 1073248196 /nfs/dbraw/zinc/24/81/96/1073248196.db2.gz DUZZRGDTHLOJHX-UHFFFAOYSA-N 1 0 398.485 -0.093 20 0 GBADRO C[NH+](C)CC1CCC(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000442182227 1073247899 /nfs/dbraw/zinc/24/78/99/1073247899.db2.gz PABXLBUKWCLJPS-UHFFFAOYSA-N 1 0 386.474 -0.107 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000442185618 1073248605 /nfs/dbraw/zinc/24/86/05/1073248605.db2.gz RHKIXYQWTNXGDD-UHFFFAOYSA-N 1 0 392.456 -0.160 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000442187001 1073248084 /nfs/dbraw/zinc/24/80/84/1073248084.db2.gz FJELQJGUXXJLRX-UHFFFAOYSA-N 1 0 398.485 -0.093 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000442188716 530388589 /nfs/dbraw/zinc/38/85/89/530388589.db2.gz AFLATYDZKVJPME-UHFFFAOYSA-N 1 0 376.410 -0.846 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC000442189541 1073247883 /nfs/dbraw/zinc/24/78/83/1073247883.db2.gz BTEIPKWXEYAQLI-UHFFFAOYSA-N 1 0 386.474 -0.382 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 ZINC000442191911 1073248051 /nfs/dbraw/zinc/24/80/51/1073248051.db2.gz DMNQZTHYZAIIQR-UHFFFAOYSA-N 1 0 375.433 -0.040 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000442193069 1073249630 /nfs/dbraw/zinc/24/96/30/1073249630.db2.gz HOAGVJLTKUDWPS-UHFFFAOYSA-N 1 0 392.456 -0.160 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000442194970 1073249295 /nfs/dbraw/zinc/24/92/95/1073249295.db2.gz LTTFXOWZWKQMOW-UHFFFAOYSA-N 1 0 392.456 -0.160 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000442197793 1073249351 /nfs/dbraw/zinc/24/93/51/1073249351.db2.gz VWSAHJAHXDLTNI-UHFFFAOYSA-N 1 0 378.408 0.396 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000442198222 1073249434 /nfs/dbraw/zinc/24/94/34/1073249434.db2.gz ZMGJCQRAPGOHNU-UHFFFAOYSA-N 1 0 379.461 -0.093 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)nn1 ZINC000442201372 1073249513 /nfs/dbraw/zinc/24/95/13/1073249513.db2.gz OJGOWWYOPHRSEY-UHFFFAOYSA-N 1 0 387.444 -0.325 20 0 GBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000442201400 530388531 /nfs/dbraw/zinc/38/85/31/530388531.db2.gz OUUZVKMMCDMWKT-UHFFFAOYSA-N 1 0 389.250 -0.171 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000442229199 1073249546 /nfs/dbraw/zinc/24/95/46/1073249546.db2.gz ALZBQBOHSRRAIZ-INIZCTEOSA-N 1 0 393.492 -0.237 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000442229206 1073249220 /nfs/dbraw/zinc/24/92/20/1073249220.db2.gz ALZBQBOHSRRAIZ-MRXNPFEDSA-N 1 0 393.492 -0.237 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1 ZINC000442230006 1073250018 /nfs/dbraw/zinc/25/00/18/1073250018.db2.gz CNOHCYIWDGMFFV-HNNXBMFYSA-N 1 0 381.481 -0.478 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nn1 ZINC000442230007 1073250473 /nfs/dbraw/zinc/25/04/73/1073250473.db2.gz CNOHCYIWDGMFFV-OAHLLOKOSA-N 1 0 381.481 -0.478 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000442230570 1073250206 /nfs/dbraw/zinc/25/02/06/1073250206.db2.gz FNDPEHUBTKLLKX-CYBMUJFWSA-N 1 0 396.469 -0.396 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000442230571 1073250429 /nfs/dbraw/zinc/25/04/29/1073250429.db2.gz FNDPEHUBTKLLKX-ZDUSSCGKSA-N 1 0 396.469 -0.396 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000442239015 1073250186 /nfs/dbraw/zinc/25/01/86/1073250186.db2.gz JOTUMZYSQMKENR-CYBMUJFWSA-N 1 0 396.469 -0.547 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000442239016 1073250519 /nfs/dbraw/zinc/25/05/19/1073250519.db2.gz JOTUMZYSQMKENR-ZDUSSCGKSA-N 1 0 396.469 -0.547 20 0 GBADRO C[NH+](C)CC1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000442240890 1073250300 /nfs/dbraw/zinc/25/03/00/1073250300.db2.gz IGEIRLHILOTIST-UHFFFAOYSA-N 1 0 378.481 -0.353 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1 ZINC000442244620 1073250963 /nfs/dbraw/zinc/25/09/63/1073250963.db2.gz TURANWHFMXJHRX-UHFFFAOYSA-N 1 0 380.449 -0.295 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000442246164 1073250836 /nfs/dbraw/zinc/25/08/36/1073250836.db2.gz ZHYYCPGDYXVZKB-CYBMUJFWSA-N 1 0 380.449 -0.154 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nn1 ZINC000442246167 1073251005 /nfs/dbraw/zinc/25/10/05/1073251005.db2.gz ZHYYCPGDYXVZKB-ZDUSSCGKSA-N 1 0 380.449 -0.154 20 0 GBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000442248515 1073250876 /nfs/dbraw/zinc/25/08/76/1073250876.db2.gz DZUZOEARQHHTBX-CABCVRRESA-N 1 0 378.429 -0.531 20 0 GBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 ZINC000442248516 1073250978 /nfs/dbraw/zinc/25/09/78/1073250978.db2.gz DZUZOEARQHHTBX-GJZGRUSLSA-N 1 0 378.429 -0.531 20 0 GBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cc1 ZINC000442248517 1073251238 /nfs/dbraw/zinc/25/12/38/1073251238.db2.gz DZUZOEARQHHTBX-HUUCEWRRSA-N 1 0 378.429 -0.531 20 0 GBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 ZINC000442248518 1073251077 /nfs/dbraw/zinc/25/10/77/1073251077.db2.gz DZUZOEARQHHTBX-LSDHHAIUSA-N 1 0 378.429 -0.531 20 0 GBADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442249867 1073251177 /nfs/dbraw/zinc/25/11/77/1073251177.db2.gz HPIQWUIRCLCRNQ-AWEZNQCLSA-N 1 0 390.440 -0.330 20 0 GBADRO NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442249868 1073251218 /nfs/dbraw/zinc/25/12/18/1073251218.db2.gz HPIQWUIRCLCRNQ-CQSZACIVSA-N 1 0 390.440 -0.330 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1OCC(N)=O ZINC000442251628 1073250893 /nfs/dbraw/zinc/25/08/93/1073250893.db2.gz DYTZXLFJLPQLNO-AWEZNQCLSA-N 1 0 388.424 -0.030 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1OCC(N)=O ZINC000442251629 1073250910 /nfs/dbraw/zinc/25/09/10/1073250910.db2.gz DYTZXLFJLPQLNO-CQSZACIVSA-N 1 0 388.424 -0.030 20 0 GBADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000442257117 1073255184 /nfs/dbraw/zinc/25/51/84/1073255184.db2.gz TZZZHUDHGLSVRN-AWEZNQCLSA-N 1 0 390.440 -0.330 20 0 GBADRO NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000442257118 1073255107 /nfs/dbraw/zinc/25/51/07/1073255107.db2.gz TZZZHUDHGLSVRN-CQSZACIVSA-N 1 0 390.440 -0.330 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)cc21 ZINC000442258911 1073251698 /nfs/dbraw/zinc/25/16/98/1073251698.db2.gz PTJOWFWWMGZDFX-CHWSQXEVSA-N 1 0 392.412 -0.951 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)cc21 ZINC000442258912 1073251597 /nfs/dbraw/zinc/25/15/97/1073251597.db2.gz PTJOWFWWMGZDFX-OLZOCXBDSA-N 1 0 392.412 -0.951 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)cc21 ZINC000442258913 1073251722 /nfs/dbraw/zinc/25/17/22/1073251722.db2.gz PTJOWFWWMGZDFX-QWHCGFSZSA-N 1 0 392.412 -0.951 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc21 ZINC000442258914 1073251769 /nfs/dbraw/zinc/25/17/69/1073251769.db2.gz PTJOWFWWMGZDFX-STQMWFEESA-N 1 0 392.412 -0.951 20 0 GBADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000442259084 1073251628 /nfs/dbraw/zinc/25/16/28/1073251628.db2.gz LUIMETXYABEGET-HNNXBMFYSA-N 1 0 384.440 -0.571 20 0 GBADRO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000442259087 1073251890 /nfs/dbraw/zinc/25/18/90/1073251890.db2.gz LUIMETXYABEGET-OAHLLOKOSA-N 1 0 384.440 -0.571 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442261212 1073252398 /nfs/dbraw/zinc/25/23/98/1073252398.db2.gz OLCKWMCIMKVCDS-INIZCTEOSA-N 1 0 392.456 -0.335 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442261215 1073252569 /nfs/dbraw/zinc/25/25/69/1073252569.db2.gz OLCKWMCIMKVCDS-MRXNPFEDSA-N 1 0 392.456 -0.335 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H]1CCNC1=O ZINC000442262971 1073253243 /nfs/dbraw/zinc/25/32/43/1073253243.db2.gz HKFFEZDZUMYDNA-AWEZNQCLSA-N 1 0 375.429 -0.138 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1CCNC1=O ZINC000442262972 1073253202 /nfs/dbraw/zinc/25/32/02/1073253202.db2.gz HKFFEZDZUMYDNA-CQSZACIVSA-N 1 0 375.429 -0.138 20 0 GBADRO C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1C ZINC000442264447 1073253227 /nfs/dbraw/zinc/25/32/27/1073253227.db2.gz FSIAECSEZBEARB-KBPBESRZSA-N 1 0 393.492 -0.950 20 0 GBADRO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1C ZINC000442264453 1073253207 /nfs/dbraw/zinc/25/32/07/1073253207.db2.gz FSIAECSEZBEARB-KGLIPLIRSA-N 1 0 393.492 -0.950 20 0 GBADRO C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264455 1073253031 /nfs/dbraw/zinc/25/30/31/1073253031.db2.gz FSIAECSEZBEARB-UONOGXRCSA-N 1 0 393.492 -0.950 20 0 GBADRO C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCN1C ZINC000442264456 1073253099 /nfs/dbraw/zinc/25/30/99/1073253099.db2.gz FSIAECSEZBEARB-ZIAGYGMSSA-N 1 0 393.492 -0.950 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442268246 1073253719 /nfs/dbraw/zinc/25/37/19/1073253719.db2.gz CUKPEUDEFSAHQR-INIZCTEOSA-N 1 0 392.456 -0.335 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442268248 1073253848 /nfs/dbraw/zinc/25/38/48/1073253848.db2.gz CUKPEUDEFSAHQR-MRXNPFEDSA-N 1 0 392.456 -0.335 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442274414 1073254178 /nfs/dbraw/zinc/25/41/78/1073254178.db2.gz MYNNZTFRNDQMDQ-INIZCTEOSA-N 1 0 376.457 -0.171 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442274416 1073254583 /nfs/dbraw/zinc/25/45/83/1073254583.db2.gz MYNNZTFRNDQMDQ-MRXNPFEDSA-N 1 0 376.457 -0.171 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[C@H]1CCNC1=O ZINC000442275749 1073254834 /nfs/dbraw/zinc/25/48/34/1073254834.db2.gz YDPBEVNZOKPZMQ-AWEZNQCLSA-N 1 0 375.429 -0.160 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[C@@H]1CCNC1=O ZINC000442275752 1073255211 /nfs/dbraw/zinc/25/52/11/1073255211.db2.gz YDPBEVNZOKPZMQ-CQSZACIVSA-N 1 0 375.429 -0.160 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)c2)CC1 ZINC000442278856 1073255580 /nfs/dbraw/zinc/25/55/80/1073255580.db2.gz BQVMBASFZVMAHC-INIZCTEOSA-N 1 0 391.472 -0.226 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)c2)CC1 ZINC000442278862 1073255650 /nfs/dbraw/zinc/25/56/50/1073255650.db2.gz BQVMBASFZVMAHC-MRXNPFEDSA-N 1 0 391.472 -0.226 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)cc1NC(=O)CC[NH+](C)C ZINC000442283626 1073256612 /nfs/dbraw/zinc/25/66/12/1073256612.db2.gz KUSOJRQFWPPAEL-CABCVRRESA-N 1 0 392.456 -0.222 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1NC(=O)CC[NH+](C)C ZINC000442283627 1073256602 /nfs/dbraw/zinc/25/66/02/1073256602.db2.gz KUSOJRQFWPPAEL-GJZGRUSLSA-N 1 0 392.456 -0.222 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cc1NC(=O)CC[NH+](C)C ZINC000442283628 1073256338 /nfs/dbraw/zinc/25/63/38/1073256338.db2.gz KUSOJRQFWPPAEL-HUUCEWRRSA-N 1 0 392.456 -0.222 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1NC(=O)CC[NH+](C)C ZINC000442283629 1073256590 /nfs/dbraw/zinc/25/65/90/1073256590.db2.gz KUSOJRQFWPPAEL-LSDHHAIUSA-N 1 0 392.456 -0.222 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442291404 1073257947 /nfs/dbraw/zinc/25/79/47/1073257947.db2.gz KFNRGUACSWDSSD-INIZCTEOSA-N 1 0 376.457 -0.171 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442291405 1073257966 /nfs/dbraw/zinc/25/79/66/1073257966.db2.gz KFNRGUACSWDSSD-MRXNPFEDSA-N 1 0 376.457 -0.171 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cn2)CC1 ZINC000442296625 1073254984 /nfs/dbraw/zinc/25/49/84/1073254984.db2.gz TUEBJIOGARFJHW-KBPBESRZSA-N 1 0 378.429 -0.553 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)cn2)CC1 ZINC000442296626 1073255223 /nfs/dbraw/zinc/25/52/23/1073255223.db2.gz TUEBJIOGARFJHW-KGLIPLIRSA-N 1 0 378.429 -0.553 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)cn2)CC1 ZINC000442296627 1073255157 /nfs/dbraw/zinc/25/51/57/1073255157.db2.gz TUEBJIOGARFJHW-UONOGXRCSA-N 1 0 378.429 -0.553 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)cn2)CC1 ZINC000442296628 1073255939 /nfs/dbraw/zinc/25/59/39/1073255939.db2.gz TUEBJIOGARFJHW-ZIAGYGMSSA-N 1 0 378.429 -0.553 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[N@@H+]1C1CC1 ZINC000442309076 1073257903 /nfs/dbraw/zinc/25/79/03/1073257903.db2.gz WAIZZVFAQKNKKW-GXTWGEPZSA-N 1 0 386.456 -0.302 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[N@@H+]1C1CC1 ZINC000442309077 1073257862 /nfs/dbraw/zinc/25/78/62/1073257862.db2.gz WAIZZVFAQKNKKW-JSGCOSHPSA-N 1 0 386.456 -0.302 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[N@@H+]1C1CC1 ZINC000442309079 1073257931 /nfs/dbraw/zinc/25/79/31/1073257931.db2.gz WAIZZVFAQKNKKW-OCCSQVGLSA-N 1 0 386.456 -0.302 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C[N@@H+]1C1CC1 ZINC000442309081 1073257803 /nfs/dbraw/zinc/25/78/03/1073257803.db2.gz WAIZZVFAQKNKKW-TZMCWYRMSA-N 1 0 386.456 -0.302 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442324254 1073258896 /nfs/dbraw/zinc/25/88/96/1073258896.db2.gz KISHLGYKDUHRBF-CYBMUJFWSA-N 1 0 386.474 -0.255 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000442324255 1073258923 /nfs/dbraw/zinc/25/89/23/1073258923.db2.gz KISHLGYKDUHRBF-ZDUSSCGKSA-N 1 0 386.474 -0.255 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000442345035 1073260815 /nfs/dbraw/zinc/26/08/15/1073260815.db2.gz XLHNDBFYGGCAFI-CYBMUJFWSA-N 1 0 386.474 -0.103 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000442345037 1073260778 /nfs/dbraw/zinc/26/07/78/1073260778.db2.gz XLHNDBFYGGCAFI-ZDUSSCGKSA-N 1 0 386.474 -0.103 20 0 GBADRO NC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000442348289 1073260981 /nfs/dbraw/zinc/26/09/81/1073260981.db2.gz IXULSCJQNCTYBB-UHFFFAOYSA-N 1 0 394.391 0.386 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c(OCC[NH+](C)C)c1 ZINC000442348814 1073259542 /nfs/dbraw/zinc/25/95/42/1073259542.db2.gz LMFZISJTIPKERW-GFCCVEGCSA-N 1 0 386.474 -0.333 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c(OCC[NH+](C)C)c1 ZINC000442348816 1073259362 /nfs/dbraw/zinc/25/93/62/1073259362.db2.gz LMFZISJTIPKERW-LBPRGKRZSA-N 1 0 386.474 -0.333 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000442354384 1073259452 /nfs/dbraw/zinc/25/94/52/1073259452.db2.gz DNOGXDGYWXYVQE-CYBMUJFWSA-N 1 0 397.501 -0.521 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000442354385 1073259343 /nfs/dbraw/zinc/25/93/43/1073259343.db2.gz DNOGXDGYWXYVQE-ZDUSSCGKSA-N 1 0 397.501 -0.521 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1 ZINC000442355208 1073259432 /nfs/dbraw/zinc/25/94/32/1073259432.db2.gz UYJQMSJABLTVPN-CYBMUJFWSA-N 1 0 397.501 -0.440 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c2)CC1 ZINC000442355210 1073259649 /nfs/dbraw/zinc/25/96/49/1073259649.db2.gz UYJQMSJABLTVPN-ZDUSSCGKSA-N 1 0 397.501 -0.440 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)S(N)(=O)=O ZINC000442356812 1073259515 /nfs/dbraw/zinc/25/95/15/1073259515.db2.gz WJXYMJWXVGXAGQ-CYBMUJFWSA-N 1 0 397.501 -0.834 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)S(N)(=O)=O ZINC000442356813 1073260221 /nfs/dbraw/zinc/26/02/21/1073260221.db2.gz WJXYMJWXVGXAGQ-ZDUSSCGKSA-N 1 0 397.501 -0.834 20 0 GBADRO COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)nn1 ZINC000442466576 1073264468 /nfs/dbraw/zinc/26/44/68/1073264468.db2.gz VYNJOVXTDVAYFN-UHFFFAOYSA-N 1 0 396.367 -0.333 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000442479777 1073265270 /nfs/dbraw/zinc/26/52/70/1073265270.db2.gz OHUMXJHMOTULOB-UHFFFAOYSA-N 1 0 385.428 -0.497 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000442512521 1073266047 /nfs/dbraw/zinc/26/60/47/1073266047.db2.gz RZKDRLUBRTWUQA-UHFFFAOYSA-N 1 0 385.428 -0.497 20 0 GBADRO C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1)N1CCOCC1 ZINC000442522482 1073267019 /nfs/dbraw/zinc/26/70/19/1073267019.db2.gz XJWBRXUNGYLDIU-JQFCIGGWSA-N 1 0 377.441 -0.028 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c[nH]1 ZINC000442525916 1073267395 /nfs/dbraw/zinc/26/73/95/1073267395.db2.gz RHNFDTMUIAEGAW-CYBMUJFWSA-N 1 0 383.474 -0.618 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c[nH]1 ZINC000442525917 1073266953 /nfs/dbraw/zinc/26/69/53/1073266953.db2.gz RHNFDTMUIAEGAW-ZDUSSCGKSA-N 1 0 383.474 -0.618 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000442587850 1073269352 /nfs/dbraw/zinc/26/93/52/1073269352.db2.gz XTRNKQZKOTUWLI-AWEZNQCLSA-N 1 0 388.472 -0.244 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000442587851 1073268839 /nfs/dbraw/zinc/26/88/39/1073268839.db2.gz XTRNKQZKOTUWLI-CQSZACIVSA-N 1 0 388.472 -0.244 20 0 GBADRO COCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000442603296 1073270239 /nfs/dbraw/zinc/27/02/39/1073270239.db2.gz VILDGVSOXJINRH-HNNXBMFYSA-N 1 0 390.550 -0.143 20 0 GBADRO COCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000442603297 1073269928 /nfs/dbraw/zinc/26/99/28/1073269928.db2.gz VILDGVSOXJINRH-OAHLLOKOSA-N 1 0 390.550 -0.143 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)N2CCN(c3nc(N)ns3)CC2)CC1(C)C ZINC000442607577 1073270110 /nfs/dbraw/zinc/27/01/10/1073270110.db2.gz HUKXLWUIAOCRPH-UHFFFAOYSA-N 1 0 382.538 -0.022 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442610597 1073270561 /nfs/dbraw/zinc/27/05/61/1073270561.db2.gz PMUNZUOKNJEKOB-HNNXBMFYSA-N 1 0 394.444 -0.145 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442610598 1073270858 /nfs/dbraw/zinc/27/08/58/1073270858.db2.gz PMUNZUOKNJEKOB-OAHLLOKOSA-N 1 0 394.444 -0.145 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442611404 1073269786 /nfs/dbraw/zinc/26/97/86/1073269786.db2.gz SLFKUDQOPYCQFL-UHFFFAOYSA-N 1 0 398.552 -0.898 20 0 GBADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442743326 530388694 /nfs/dbraw/zinc/38/86/94/530388694.db2.gz ZGWXZBNSWALXQP-KBXIAJHMSA-N 1 0 376.523 -0.142 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759329 1073273007 /nfs/dbraw/zinc/27/30/07/1073273007.db2.gz DLYWWSPTKOWQDT-DOMZBBRYSA-N 1 0 399.517 -0.207 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759333 1073272643 /nfs/dbraw/zinc/27/26/43/1073272643.db2.gz DLYWWSPTKOWQDT-IUODEOHRSA-N 1 0 399.517 -0.207 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759336 1073272819 /nfs/dbraw/zinc/27/28/19/1073272819.db2.gz DLYWWSPTKOWQDT-SWLSCSKDSA-N 1 0 399.517 -0.207 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759338 1073272921 /nfs/dbraw/zinc/27/29/21/1073272921.db2.gz DLYWWSPTKOWQDT-WFASDCNBSA-N 1 0 399.517 -0.207 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1(C)C ZINC000442894546 1073275676 /nfs/dbraw/zinc/27/56/76/1073275676.db2.gz HXCYRNYCUMDFCY-UHFFFAOYSA-N 1 0 396.513 -0.299 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1 ZINC000442915996 1073275994 /nfs/dbraw/zinc/27/59/94/1073275994.db2.gz UAOSRHYWKQXVKI-UHFFFAOYSA-N 1 0 399.469 -0.124 20 0 GBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000442951366 530389107 /nfs/dbraw/zinc/38/91/07/530389107.db2.gz NZQIQXSRTKRIBI-UHFFFAOYSA-N 1 0 391.515 -0.423 20 0 GBADRO CN(C)C(=O)c1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1 ZINC000442954350 1073276975 /nfs/dbraw/zinc/27/69/75/1073276975.db2.gz DYMQAUUONHLUPF-UHFFFAOYSA-N 1 0 387.502 -0.050 20 0 GBADRO CC[NH+]1CCN(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442970307 1073277849 /nfs/dbraw/zinc/27/78/49/1073277849.db2.gz WQWVFVPMGHNMNY-UHFFFAOYSA-N 1 0 390.456 -0.003 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000443036124 530389500 /nfs/dbraw/zinc/38/95/00/530389500.db2.gz IWZIRAPNNGVRIR-CYBMUJFWSA-N 1 0 392.275 -0.107 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000443036130 530389456 /nfs/dbraw/zinc/38/94/56/530389456.db2.gz IWZIRAPNNGVRIR-ZDUSSCGKSA-N 1 0 392.275 -0.107 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443083974 530390239 /nfs/dbraw/zinc/39/02/39/530390239.db2.gz GCOBUOHDCWLRFU-UHFFFAOYSA-N 1 0 384.568 -0.787 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000443084933 530390227 /nfs/dbraw/zinc/39/02/27/530390227.db2.gz JONHTVNTYRYHEI-UHFFFAOYSA-N 1 0 376.523 -0.268 20 0 GBADRO COC(=O)c1nscc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000443085206 530390259 /nfs/dbraw/zinc/39/02/59/530390259.db2.gz JXJJQBQHZBDGDN-JTQLQIEISA-N 1 0 390.487 -0.205 20 0 GBADRO COC(=O)c1nscc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000443085207 530390116 /nfs/dbraw/zinc/39/01/16/530390116.db2.gz JXJJQBQHZBDGDN-SNVBAGLBSA-N 1 0 390.487 -0.205 20 0 GBADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000443088901 1073279758 /nfs/dbraw/zinc/27/97/58/1073279758.db2.gz VTIPBLYYWTZJLP-LLVKDONJSA-N 1 0 387.462 -0.548 20 0 GBADRO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000443088902 1073280011 /nfs/dbraw/zinc/28/00/11/1073280011.db2.gz VTIPBLYYWTZJLP-NSHDSACASA-N 1 0 387.462 -0.548 20 0 GBADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1(C)C ZINC000443089798 530389984 /nfs/dbraw/zinc/38/99/84/530389984.db2.gz DNZJCNQPZYFISY-UHFFFAOYSA-N 1 0 390.531 -0.362 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443105562 530390370 /nfs/dbraw/zinc/39/03/70/530390370.db2.gz VIWHZJOSDHCWGI-AWEZNQCLSA-N 1 0 376.523 -0.126 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443105563 530390656 /nfs/dbraw/zinc/39/06/56/530390656.db2.gz VIWHZJOSDHCWGI-CQSZACIVSA-N 1 0 376.523 -0.126 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1(C)C ZINC000443110119 1073280536 /nfs/dbraw/zinc/28/05/36/1073280536.db2.gz AOBOFRDNJGXOFF-UHFFFAOYSA-N 1 0 391.472 -0.369 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1(C)C ZINC000443110549 1073280589 /nfs/dbraw/zinc/28/05/89/1073280589.db2.gz NTODONWLLJSLPF-UHFFFAOYSA-N 1 0 391.472 -0.369 20 0 GBADRO COCCCn1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000443118114 1073280600 /nfs/dbraw/zinc/28/06/00/1073280600.db2.gz MOQCQHSKHVXQEK-UHFFFAOYSA-N 1 0 380.493 0.000 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)S(N)(=O)=O ZINC000443121731 1073281443 /nfs/dbraw/zinc/28/14/43/1073281443.db2.gz DQEHJGCFWCMIAR-AWEZNQCLSA-N 1 0 388.534 -0.058 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)S(N)(=O)=O ZINC000443121732 1073281534 /nfs/dbraw/zinc/28/15/34/1073281534.db2.gz DQEHJGCFWCMIAR-CQSZACIVSA-N 1 0 388.534 -0.058 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC1(C)C ZINC000443123299 1073281595 /nfs/dbraw/zinc/28/15/95/1073281595.db2.gz ZLDSURDZOAEEAF-UHFFFAOYSA-N 1 0 399.499 0.407 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1(C)C ZINC000443123672 1073281326 /nfs/dbraw/zinc/28/13/26/1073281326.db2.gz NERCRJRRKMJJDY-UHFFFAOYSA-N 1 0 390.410 0.526 20 0 GBADRO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443125463 1073281485 /nfs/dbraw/zinc/28/14/85/1073281485.db2.gz FHNUQVDYKQLYAF-UHFFFAOYSA-N 1 0 394.476 -0.323 20 0 GBADRO COc1c(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cccc1C(N)=O ZINC000443128769 1073281121 /nfs/dbraw/zinc/28/11/21/1073281121.db2.gz MGTMIGPTXLOYBL-UHFFFAOYSA-N 1 0 391.472 -0.125 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000443151802 530390449 /nfs/dbraw/zinc/39/04/49/530390449.db2.gz BKBMTMIKJCWCPD-GFCCVEGCSA-N 1 0 377.488 -0.541 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000443151803 530390520 /nfs/dbraw/zinc/39/05/20/530390520.db2.gz BKBMTMIKJCWCPD-LBPRGKRZSA-N 1 0 377.488 -0.541 20 0 GBADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000443157471 530390330 /nfs/dbraw/zinc/39/03/30/530390330.db2.gz RAYUTOLVWXTNHQ-HNNXBMFYSA-N 1 0 377.507 -0.057 20 0 GBADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000443157473 530390516 /nfs/dbraw/zinc/39/05/16/530390516.db2.gz RAYUTOLVWXTNHQ-OAHLLOKOSA-N 1 0 377.507 -0.057 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000443168178 530390564 /nfs/dbraw/zinc/39/05/64/530390564.db2.gz NPEQDOQCXJFTJX-UHFFFAOYSA-N 1 0 377.488 -0.541 20 0 GBADRO CCOC(=O)C1CCN(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000443169156 530390632 /nfs/dbraw/zinc/39/06/32/530390632.db2.gz POGUCBAGMJWXPD-UHFFFAOYSA-N 1 0 377.507 -0.057 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000443172810 530390557 /nfs/dbraw/zinc/39/05/57/530390557.db2.gz YLPONNLTBMFRQL-CYBMUJFWSA-N 1 0 391.515 -0.280 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000443172811 530390626 /nfs/dbraw/zinc/39/06/26/530390626.db2.gz YLPONNLTBMFRQL-ZDUSSCGKSA-N 1 0 391.515 -0.280 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC[NH+](C)C)s1 ZINC000443229805 530391072 /nfs/dbraw/zinc/39/10/72/530391072.db2.gz ZNFMOLAALXLKOS-UHFFFAOYSA-N 1 0 376.504 -0.318 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443233086 1073284428 /nfs/dbraw/zinc/28/44/28/1073284428.db2.gz HHRRPOYWYNEOIK-KRWDZBQOSA-N 1 0 385.486 -0.047 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443233089 1073284274 /nfs/dbraw/zinc/28/42/74/1073284274.db2.gz HHRRPOYWYNEOIK-QGZVFWFLSA-N 1 0 385.486 -0.047 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000443233976 530390881 /nfs/dbraw/zinc/39/08/81/530390881.db2.gz NTUXFPLVCRCIFU-UHFFFAOYSA-N 1 0 377.488 -0.670 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000443235024 530391059 /nfs/dbraw/zinc/39/10/59/530391059.db2.gz SJRRHEZHDYOWEL-UHFFFAOYSA-N 1 0 395.478 -0.068 20 0 GBADRO C[C@@H](NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000443238028 530390831 /nfs/dbraw/zinc/39/08/31/530390831.db2.gz KDJLOKYGOWJGFD-CHWSQXEVSA-N 1 0 376.523 -0.045 20 0 GBADRO C[C@@H](NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000443238030 530390747 /nfs/dbraw/zinc/39/07/47/530390747.db2.gz KDJLOKYGOWJGFD-OLZOCXBDSA-N 1 0 376.523 -0.045 20 0 GBADRO C[C@H](NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000443238033 530390751 /nfs/dbraw/zinc/39/07/51/530390751.db2.gz KDJLOKYGOWJGFD-QWHCGFSZSA-N 1 0 376.523 -0.045 20 0 GBADRO C[C@H](NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C[NH+](C)C ZINC000443238037 530391107 /nfs/dbraw/zinc/39/11/07/530391107.db2.gz KDJLOKYGOWJGFD-STQMWFEESA-N 1 0 376.523 -0.045 20 0 GBADRO C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443239821 1073285003 /nfs/dbraw/zinc/28/50/03/1073285003.db2.gz ZVLWJKWANDWVRH-HNNXBMFYSA-N 1 0 397.520 -0.325 20 0 GBADRO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443239823 1073285205 /nfs/dbraw/zinc/28/52/05/1073285205.db2.gz ZVLWJKWANDWVRH-OAHLLOKOSA-N 1 0 397.520 -0.325 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000443240456 530390865 /nfs/dbraw/zinc/39/08/65/530390865.db2.gz ARRPSCJCZZSNBW-UHFFFAOYSA-N 1 0 380.463 -0.036 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000443245463 530390762 /nfs/dbraw/zinc/39/07/62/530390762.db2.gz IMVWMJDKYUBVPU-UHFFFAOYSA-N 1 0 395.478 -0.068 20 0 GBADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443259391 530390846 /nfs/dbraw/zinc/39/08/46/530390846.db2.gz DLAOREVZNBMPED-UHFFFAOYSA-N 1 0 391.515 -0.199 20 0 GBADRO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443266248 530391022 /nfs/dbraw/zinc/39/10/22/530391022.db2.gz RUHLEHUTZKMBES-CVEARBPZSA-N 1 0 378.539 -0.680 20 0 GBADRO C[C@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)CO1 ZINC000443266256 530390853 /nfs/dbraw/zinc/39/08/53/530390853.db2.gz RUHLEHUTZKMBES-HOTGVXAUSA-N 1 0 378.539 -0.680 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)CO1 ZINC000443266258 530390819 /nfs/dbraw/zinc/39/08/19/530390819.db2.gz RUHLEHUTZKMBES-HZPDHXFCSA-N 1 0 378.539 -0.680 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)CO1 ZINC000443266262 530391245 /nfs/dbraw/zinc/39/12/45/530391245.db2.gz RUHLEHUTZKMBES-JKSUJKDBSA-N 1 0 378.539 -0.680 20 0 GBADRO CNC(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000443273914 1073289206 /nfs/dbraw/zinc/28/92/06/1073289206.db2.gz MPISSRKHSVEQCQ-UHFFFAOYSA-N 1 0 398.529 -0.285 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)NCCCCN3CC[NH+](CCO)CC3)cc2[nH]1 ZINC000443278776 1073289315 /nfs/dbraw/zinc/28/93/15/1073289315.db2.gz XFLAZHCJIIYSNV-UHFFFAOYSA-N 1 0 397.501 -0.063 20 0 GBADRO C[C@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)O1 ZINC000443279397 530391317 /nfs/dbraw/zinc/39/13/17/530391317.db2.gz YUCYBSBXHBLFIN-HOTGVXAUSA-N 1 0 378.539 -0.680 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@@H](C)O1 ZINC000443279398 530391530 /nfs/dbraw/zinc/39/15/30/530391530.db2.gz YUCYBSBXHBLFIN-HZPDHXFCSA-N 1 0 378.539 -0.680 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)C[C@H](C)O1 ZINC000443279399 530391427 /nfs/dbraw/zinc/39/14/27/530391427.db2.gz YUCYBSBXHBLFIN-IYBDPMFKSA-N 1 0 378.539 -0.680 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC3CC[NH+](CCO)CC3)cnc21 ZINC000443280083 1073289398 /nfs/dbraw/zinc/28/93/98/1073289398.db2.gz ANLDCWRFFNEKIQ-UHFFFAOYSA-N 1 0 397.457 -0.983 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000443280398 530391487 /nfs/dbraw/zinc/39/14/87/530391487.db2.gz BWAAUDDYOGFGPZ-HNNXBMFYSA-N 1 0 377.507 -0.057 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000443280399 530391456 /nfs/dbraw/zinc/39/14/56/530391456.db2.gz BWAAUDDYOGFGPZ-OAHLLOKOSA-N 1 0 377.507 -0.057 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000443280908 1073290072 /nfs/dbraw/zinc/29/00/72/1073290072.db2.gz JNHZVLJWAKSFJA-UHFFFAOYSA-N 1 0 384.502 -0.546 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000443284127 1073290390 /nfs/dbraw/zinc/29/03/90/1073290390.db2.gz ODKNVPRUQZUFLD-UHFFFAOYSA-N 1 0 385.486 -0.466 20 0 GBADRO CN(C)C(=O)c1cccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1 ZINC000443286486 1073289498 /nfs/dbraw/zinc/28/94/98/1073289498.db2.gz HXTUNOXXNBPYDX-UHFFFAOYSA-N 1 0 387.502 -0.050 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000443286673 1073289375 /nfs/dbraw/zinc/28/93/75/1073289375.db2.gz SYMRWXMEICJLIY-UHFFFAOYSA-N 1 0 390.506 -0.204 20 0 GBADRO NC(=O)c1cccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000443288417 1073290006 /nfs/dbraw/zinc/29/00/06/1073290006.db2.gz YOQJNCMKMIQFGN-UHFFFAOYSA-N 1 0 384.502 -0.546 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000443288809 530391479 /nfs/dbraw/zinc/39/14/79/530391479.db2.gz MDPNERDTLVTXFF-UHFFFAOYSA-N 1 0 377.488 -0.683 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2[nH]c1=O ZINC000443290174 1073291016 /nfs/dbraw/zinc/29/10/16/1073291016.db2.gz OQTTTYGONFSGSR-GFCCVEGCSA-N 1 0 396.469 -0.268 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2[nH]c1=O ZINC000443290175 1073290854 /nfs/dbraw/zinc/29/08/54/1073290854.db2.gz OQTTTYGONFSGSR-LBPRGKRZSA-N 1 0 396.469 -0.268 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000443290701 530391381 /nfs/dbraw/zinc/39/13/81/530391381.db2.gz CZBXKQQWOWJDDX-UHFFFAOYSA-N 1 0 391.515 -0.423 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000443292229 530391506 /nfs/dbraw/zinc/39/15/06/530391506.db2.gz HHXGBVPMXYTGEX-CYBMUJFWSA-N 1 0 391.515 -0.151 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000443292233 530391196 /nfs/dbraw/zinc/39/11/96/530391196.db2.gz HHXGBVPMXYTGEX-ZDUSSCGKSA-N 1 0 391.515 -0.151 20 0 GBADRO Cc1nn(C)c2ncc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc12 ZINC000443292705 1073290835 /nfs/dbraw/zinc/29/08/35/1073290835.db2.gz IGHNZGDMKVUDLJ-UHFFFAOYSA-N 1 0 385.490 -0.162 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000443296352 1073291048 /nfs/dbraw/zinc/29/10/48/1073291048.db2.gz LKAIDIGJKYTOOC-UHFFFAOYSA-N 1 0 384.462 -0.777 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000443297556 530391542 /nfs/dbraw/zinc/39/15/42/530391542.db2.gz FVKDDHMBEOUMOM-UHFFFAOYSA-N 1 0 391.515 -0.423 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000443298076 530391210 /nfs/dbraw/zinc/39/12/10/530391210.db2.gz HFRSZMUBOIFPBR-CABCVRRESA-N 1 0 377.507 -0.059 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000443298079 530391222 /nfs/dbraw/zinc/39/12/22/530391222.db2.gz HFRSZMUBOIFPBR-GJZGRUSLSA-N 1 0 377.507 -0.059 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000443298081 530391406 /nfs/dbraw/zinc/39/14/06/530391406.db2.gz HFRSZMUBOIFPBR-HUUCEWRRSA-N 1 0 377.507 -0.059 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000443298084 530391370 /nfs/dbraw/zinc/39/13/70/530391370.db2.gz HFRSZMUBOIFPBR-LSDHHAIUSA-N 1 0 377.507 -0.059 20 0 GBADRO Cn1c2ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc2oc1=O ZINC000443299777 1073290143 /nfs/dbraw/zinc/29/01/43/1073290143.db2.gz XWDNLDHRKPFMPH-UHFFFAOYSA-N 1 0 387.458 -0.307 20 0 GBADRO CN1C(=O)c2ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc2C1=O ZINC000443300369 1073290302 /nfs/dbraw/zinc/29/03/02/1073290302.db2.gz KSOHFNMIYXHBEC-UHFFFAOYSA-N 1 0 399.469 -0.526 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000443300687 1073289939 /nfs/dbraw/zinc/28/99/39/1073289939.db2.gz USLBAIGFJRXKPB-GFCCVEGCSA-N 1 0 396.469 -0.413 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000443300688 1073290050 /nfs/dbraw/zinc/29/00/50/1073290050.db2.gz USLBAIGFJRXKPB-LBPRGKRZSA-N 1 0 396.469 -0.413 20 0 GBADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000443305765 1073291384 /nfs/dbraw/zinc/29/13/84/1073291384.db2.gz MCWGUGSPNFEDJU-UHFFFAOYSA-N 1 0 380.474 -0.140 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000443312092 1073291620 /nfs/dbraw/zinc/29/16/20/1073291620.db2.gz ZPWYMXAVTFBHAJ-UHFFFAOYSA-N 1 0 384.462 -0.777 20 0 GBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1 ZINC000443314834 1073291716 /nfs/dbraw/zinc/29/17/16/1073291716.db2.gz LSHBOKWEEJUDAM-UHFFFAOYSA-N 1 0 398.489 -0.562 20 0 GBADRO CCOC(=O)C1CCN(S(=O)(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000443317323 530391551 /nfs/dbraw/zinc/39/15/51/530391551.db2.gz QVAXPEIMQMMHPS-UHFFFAOYSA-N 1 0 377.507 -0.200 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000443319498 1073292383 /nfs/dbraw/zinc/29/23/83/1073292383.db2.gz MBOKOBHOVBHHKF-UHFFFAOYSA-N 1 0 377.445 -0.106 20 0 GBADRO CN(C[C@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000443320113 1073292440 /nfs/dbraw/zinc/29/24/40/1073292440.db2.gz YJWABTKGCPUEQG-AWEZNQCLSA-N 1 0 385.486 -0.313 20 0 GBADRO CN(C[C@@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000443320117 1073292477 /nfs/dbraw/zinc/29/24/77/1073292477.db2.gz YJWABTKGCPUEQG-CQSZACIVSA-N 1 0 385.486 -0.313 20 0 GBADRO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000443320425 1073292522 /nfs/dbraw/zinc/29/25/22/1073292522.db2.gz KWRMLEUDOYAAJW-GOSISDBHSA-N 1 0 377.445 -0.108 20 0 GBADRO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000443320426 1073292333 /nfs/dbraw/zinc/29/23/33/1073292333.db2.gz KWRMLEUDOYAAJW-SFHVURJKSA-N 1 0 377.445 -0.108 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443323900 530391498 /nfs/dbraw/zinc/39/14/98/530391498.db2.gz SSPKSWINZPFTQN-CYBMUJFWSA-N 1 0 391.515 -0.295 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443323902 530391335 /nfs/dbraw/zinc/39/13/35/530391335.db2.gz SSPKSWINZPFTQN-ZDUSSCGKSA-N 1 0 391.515 -0.295 20 0 GBADRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341331 1072249027 /nfs/dbraw/zinc/24/90/27/1072249027.db2.gz IIJQATZQLOCDIV-FGTMMUONSA-N 1 0 396.532 -0.529 20 0 GBADRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341334 1072249336 /nfs/dbraw/zinc/24/93/36/1072249336.db2.gz IIJQATZQLOCDIV-KURKYZTESA-N 1 0 396.532 -0.529 20 0 GBADRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341336 1072249051 /nfs/dbraw/zinc/24/90/51/1072249051.db2.gz IIJQATZQLOCDIV-KZNAEPCWSA-N 1 0 396.532 -0.529 20 0 GBADRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443341338 1072248870 /nfs/dbraw/zinc/24/88/70/1072248870.db2.gz IIJQATZQLOCDIV-SQNIBIBYSA-N 1 0 396.532 -0.529 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(N3CCC3=O)c2)n1 ZINC000443353676 1073292801 /nfs/dbraw/zinc/29/28/01/1073292801.db2.gz SAJCKFHDBQDNIC-UHFFFAOYSA-N 1 0 384.440 0.436 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000443422889 530391738 /nfs/dbraw/zinc/39/17/38/530391738.db2.gz AJDVLTKCPPJMPB-CHWSQXEVSA-N 1 0 375.495 -0.964 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000443422890 530391703 /nfs/dbraw/zinc/39/17/03/530391703.db2.gz AJDVLTKCPPJMPB-OLZOCXBDSA-N 1 0 375.495 -0.964 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000443422891 530391711 /nfs/dbraw/zinc/39/17/11/530391711.db2.gz AJDVLTKCPPJMPB-QWHCGFSZSA-N 1 0 375.495 -0.964 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000443422892 530391921 /nfs/dbraw/zinc/39/19/21/530391921.db2.gz AJDVLTKCPPJMPB-STQMWFEESA-N 1 0 375.495 -0.964 20 0 GBADRO COCC[N@H+](C)CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000443428491 1073296056 /nfs/dbraw/zinc/29/60/56/1073296056.db2.gz IVROFPTZPGBRGQ-UHFFFAOYSA-N 1 0 385.534 0.398 20 0 GBADRO C[C@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)S(N)(=O)=O ZINC000443430133 1073296178 /nfs/dbraw/zinc/29/61/78/1073296178.db2.gz OWWVCVYPLIJJGG-GFCCVEGCSA-N 1 0 385.490 -0.546 20 0 GBADRO C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)S(N)(=O)=O ZINC000443430135 1073295971 /nfs/dbraw/zinc/29/59/71/1073295971.db2.gz OWWVCVYPLIJJGG-LBPRGKRZSA-N 1 0 385.490 -0.546 20 0 GBADRO C[C@@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)S(N)(=O)=O ZINC000443433697 1073296230 /nfs/dbraw/zinc/29/62/30/1073296230.db2.gz VUZLCHKUTXXSKD-AWEZNQCLSA-N 1 0 399.521 -0.645 20 0 GBADRO C[C@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)S(N)(=O)=O ZINC000443433698 1073296128 /nfs/dbraw/zinc/29/61/28/1073296128.db2.gz VUZLCHKUTXXSKD-CQSZACIVSA-N 1 0 399.521 -0.645 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000443434726 530391695 /nfs/dbraw/zinc/39/16/95/530391695.db2.gz FIOAALKELCRCNH-CABCVRRESA-N 1 0 375.539 -0.278 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000443434730 530391653 /nfs/dbraw/zinc/39/16/53/530391653.db2.gz FIOAALKELCRCNH-GJZGRUSLSA-N 1 0 375.539 -0.278 20 0 GBADRO C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000443434732 530391878 /nfs/dbraw/zinc/39/18/78/530391878.db2.gz FIOAALKELCRCNH-HUUCEWRRSA-N 1 0 375.539 -0.278 20 0 GBADRO C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000443434733 530391816 /nfs/dbraw/zinc/39/18/16/530391816.db2.gz FIOAALKELCRCNH-LSDHHAIUSA-N 1 0 375.539 -0.278 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443436520 1073296156 /nfs/dbraw/zinc/29/61/56/1073296156.db2.gz KAWHZSZRRXTRGF-AWEZNQCLSA-N 1 0 389.522 -0.608 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443436521 1073296166 /nfs/dbraw/zinc/29/61/66/1073296166.db2.gz KAWHZSZRRXTRGF-CQSZACIVSA-N 1 0 389.522 -0.608 20 0 GBADRO COCCNc1nc(N2CCN(C)C[C@@H]2C)nc(N2CCN(C)C[C@@H]2C)n1 ZINC000443441832 1073296023 /nfs/dbraw/zinc/29/60/23/1073296023.db2.gz KWFQBIOCOFNRSE-GJZGRUSLSA-N 1 0 378.525 -0.368 20 0 GBADRO COCCNc1nc(N2CCN(C)C[C@H]2C)nc(N2CCN(C)C[C@H]2C)n1 ZINC000443441833 1073295830 /nfs/dbraw/zinc/29/58/30/1073295830.db2.gz KWFQBIOCOFNRSE-HUUCEWRRSA-N 1 0 378.525 -0.368 20 0 GBADRO C[C@H]1CN(C)CCN1c1nc(N2CCOCC2)nc(N2CCN(C)C[C@@H]2C)n1 ZINC000443443515 1073295915 /nfs/dbraw/zinc/29/59/15/1073295915.db2.gz NKXOAHFJVPXWPP-HOTGVXAUSA-N 1 0 390.536 -0.011 20 0 GBADRO C[C@@H]1CN(C)CCN1c1nc(N2CCOCC2)nc(N2CCN(C)C[C@H]2C)n1 ZINC000443443518 1073296305 /nfs/dbraw/zinc/29/63/05/1073296305.db2.gz NKXOAHFJVPXWPP-HZPDHXFCSA-N 1 0 390.536 -0.011 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000443465931 530391851 /nfs/dbraw/zinc/39/18/51/530391851.db2.gz IAAOCSGRFKWTSI-HNNXBMFYSA-N 1 0 394.563 -0.338 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000443465932 530391805 /nfs/dbraw/zinc/39/18/05/530391805.db2.gz IAAOCSGRFKWTSI-OAHLLOKOSA-N 1 0 394.563 -0.338 20 0 GBADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000443469737 1073300820 /nfs/dbraw/zinc/30/08/20/1073300820.db2.gz YEBIAOJGJWYLIQ-ZACCUICWSA-N 1 0 379.442 -0.062 20 0 GBADRO CCC[NH+](CCC)CCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443480850 530392197 /nfs/dbraw/zinc/39/21/97/530392197.db2.gz DGECJKLBIRRIJZ-UHFFFAOYSA-N 1 0 384.568 -0.090 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443484823 530392022 /nfs/dbraw/zinc/39/20/22/530392022.db2.gz LSLRDQOTEDRWRJ-HNNXBMFYSA-N 1 0 375.539 -0.133 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443484826 530392167 /nfs/dbraw/zinc/39/21/67/530392167.db2.gz LSLRDQOTEDRWRJ-OAHLLOKOSA-N 1 0 375.539 -0.133 20 0 GBADRO C[NH+](C)CC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000443485610 530392164 /nfs/dbraw/zinc/39/21/64/530392164.db2.gz PARRNSRRZFBHAO-CYBMUJFWSA-N 1 0 384.568 -0.236 20 0 GBADRO C[NH+](C)CC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000443485613 530392217 /nfs/dbraw/zinc/39/22/17/530392217.db2.gz PARRNSRRZFBHAO-ZDUSSCGKSA-N 1 0 384.568 -0.236 20 0 GBADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000443485711 530392126 /nfs/dbraw/zinc/39/21/26/530392126.db2.gz GMVXDCNNHVXCSE-UHFFFAOYSA-N 1 0 375.539 -0.278 20 0 GBADRO CC(C)[NH+](CCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000443489548 530392275 /nfs/dbraw/zinc/39/22/75/530392275.db2.gz VTAYDRSASHMGLV-UHFFFAOYSA-N 1 0 384.568 -0.093 20 0 GBADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000443490412 1073302612 /nfs/dbraw/zinc/30/26/12/1073302612.db2.gz LDPJTBZVHIFIAT-UHFFFAOYSA-N 1 0 383.518 -0.136 20 0 GBADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000443491547 530392193 /nfs/dbraw/zinc/39/21/93/530392193.db2.gz QUISTDZPOPGGFM-UHFFFAOYSA-N 1 0 375.539 -0.135 20 0 GBADRO C[C@@H](CNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)S(N)(=O)=O ZINC000443492782 1073302991 /nfs/dbraw/zinc/30/29/91/1073302991.db2.gz VDSDMHZBQSYWSC-AWEZNQCLSA-N 1 0 383.518 -0.090 20 0 GBADRO C[C@H](CNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)S(N)(=O)=O ZINC000443492784 1073303298 /nfs/dbraw/zinc/30/32/98/1073303298.db2.gz VDSDMHZBQSYWSC-CQSZACIVSA-N 1 0 383.518 -0.090 20 0 GBADRO C[C@@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)S(N)(=O)=O ZINC000443495708 1073303472 /nfs/dbraw/zinc/30/34/72/1073303472.db2.gz CCGXNLSXRXWWAZ-HNNXBMFYSA-N 1 0 383.518 -0.220 20 0 GBADRO C[C@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)S(N)(=O)=O ZINC000443495713 1073303268 /nfs/dbraw/zinc/30/32/68/1073303268.db2.gz CCGXNLSXRXWWAZ-OAHLLOKOSA-N 1 0 383.518 -0.220 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)S(N)(=O)=O)cn2)CC1 ZINC000443499681 1073304004 /nfs/dbraw/zinc/30/40/04/1073304004.db2.gz IMQMASCLXLLXON-CYBMUJFWSA-N 1 0 384.506 -0.300 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)S(N)(=O)=O)cn2)CC1 ZINC000443499683 1073304042 /nfs/dbraw/zinc/30/40/42/1073304042.db2.gz IMQMASCLXLLXON-ZDUSSCGKSA-N 1 0 384.506 -0.300 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]3CS(N)(=O)=O)ccn2)CC1 ZINC000443499826 1073304055 /nfs/dbraw/zinc/30/40/55/1073304055.db2.gz IPHMCJDNQSDTFS-HNNXBMFYSA-N 1 0 396.517 -0.204 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]3CS(N)(=O)=O)ccn2)CC1 ZINC000443499827 1073304029 /nfs/dbraw/zinc/30/40/29/1073304029.db2.gz IPHMCJDNQSDTFS-OAHLLOKOSA-N 1 0 396.517 -0.204 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000443501030 530392131 /nfs/dbraw/zinc/39/21/31/530392131.db2.gz LVGRFWXZJVFJMG-CABCVRRESA-N 1 0 397.563 -0.387 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000443501031 530392075 /nfs/dbraw/zinc/39/20/75/530392075.db2.gz LVGRFWXZJVFJMG-GJZGRUSLSA-N 1 0 397.563 -0.387 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000443501032 530392243 /nfs/dbraw/zinc/39/22/43/530392243.db2.gz LVGRFWXZJVFJMG-HUUCEWRRSA-N 1 0 397.563 -0.387 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000443501033 530392630 /nfs/dbraw/zinc/39/26/30/530392630.db2.gz LVGRFWXZJVFJMG-LSDHHAIUSA-N 1 0 397.563 -0.387 20 0 GBADRO NS(=O)(=O)[C@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000443501324 1073303181 /nfs/dbraw/zinc/30/31/81/1073303181.db2.gz OSDCTHWZOKQFLM-KRWDZBQOSA-N 1 0 395.529 -0.123 20 0 GBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000443501328 1073303440 /nfs/dbraw/zinc/30/34/40/1073303440.db2.gz OSDCTHWZOKQFLM-QGZVFWFLSA-N 1 0 395.529 -0.123 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000443503193 530392645 /nfs/dbraw/zinc/39/26/45/530392645.db2.gz XYHACBWZVCEMBS-UHFFFAOYSA-N 1 0 377.507 -0.059 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443513437 530392400 /nfs/dbraw/zinc/39/24/00/530392400.db2.gz VPRYAPLGFGCVCO-UHFFFAOYSA-N 1 0 391.515 -0.152 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000443516088 1073304836 /nfs/dbraw/zinc/30/48/36/1073304836.db2.gz BFQIUOYORDSTJQ-UHFFFAOYSA-N 1 0 391.538 -0.897 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523210 1073306156 /nfs/dbraw/zinc/30/61/56/1073306156.db2.gz RBKVRMKHWZHTRH-HNNXBMFYSA-N 1 0 389.566 -0.030 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443523211 1073305980 /nfs/dbraw/zinc/30/59/80/1073305980.db2.gz RBKVRMKHWZHTRH-OAHLLOKOSA-N 1 0 389.566 -0.030 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000443524384 530392369 /nfs/dbraw/zinc/39/23/69/530392369.db2.gz WSHJGDVSKTUUKQ-HNNXBMFYSA-N 1 0 375.539 -0.276 20 0 GBADRO C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000443524386 530392427 /nfs/dbraw/zinc/39/24/27/530392427.db2.gz WSHJGDVSKTUUKQ-OAHLLOKOSA-N 1 0 375.539 -0.276 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443525253 530392362 /nfs/dbraw/zinc/39/23/62/530392362.db2.gz YMEYNMLVXGFFMM-CYBMUJFWSA-N 1 0 378.539 -0.087 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443525254 530392611 /nfs/dbraw/zinc/39/26/11/530392611.db2.gz YMEYNMLVXGFFMM-ZDUSSCGKSA-N 1 0 378.539 -0.087 20 0 GBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526517 1073306223 /nfs/dbraw/zinc/30/62/23/1073306223.db2.gz HQNIATBFIWOSNV-BZUAXINKSA-N 1 0 389.566 -0.032 20 0 GBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526518 1073305927 /nfs/dbraw/zinc/30/59/27/1073305927.db2.gz HQNIATBFIWOSNV-OAGGEKHMSA-N 1 0 389.566 -0.032 20 0 GBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526519 1073306448 /nfs/dbraw/zinc/30/64/48/1073306448.db2.gz HQNIATBFIWOSNV-OWCLPIDISA-N 1 0 389.566 -0.032 20 0 GBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443526520 1073306243 /nfs/dbraw/zinc/30/62/43/1073306243.db2.gz HQNIATBFIWOSNV-XHSDSOJGSA-N 1 0 389.566 -0.032 20 0 GBADRO CC(C)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000443528792 530392661 /nfs/dbraw/zinc/39/26/61/530392661.db2.gz FSYLEFUUHKHSOS-UHFFFAOYSA-N 1 0 382.552 -0.338 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000443529836 1073307403 /nfs/dbraw/zinc/30/74/03/1073307403.db2.gz NDWHPIJEHBVSHA-INIZCTEOSA-N 1 0 387.550 -0.133 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000443529839 1073307009 /nfs/dbraw/zinc/30/70/09/1073307009.db2.gz NDWHPIJEHBVSHA-MRXNPFEDSA-N 1 0 387.550 -0.133 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534574 530392650 /nfs/dbraw/zinc/39/26/50/530392650.db2.gz WMBSLHDYWCJLED-CABCVRRESA-N 1 0 375.539 -0.278 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000443534575 530392656 /nfs/dbraw/zinc/39/26/56/530392656.db2.gz WMBSLHDYWCJLED-GJZGRUSLSA-N 1 0 375.539 -0.278 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534576 530392545 /nfs/dbraw/zinc/39/25/45/530392545.db2.gz WMBSLHDYWCJLED-HUUCEWRRSA-N 1 0 375.539 -0.278 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000443534577 530392574 /nfs/dbraw/zinc/39/25/74/530392574.db2.gz WMBSLHDYWCJLED-LSDHHAIUSA-N 1 0 375.539 -0.278 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000443540669 530392474 /nfs/dbraw/zinc/39/24/74/530392474.db2.gz IUDIBLJMHPHOFI-CABCVRRESA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000443540672 530392412 /nfs/dbraw/zinc/39/24/12/530392412.db2.gz IUDIBLJMHPHOFI-GJZGRUSLSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000443540673 530392522 /nfs/dbraw/zinc/39/25/22/530392522.db2.gz IUDIBLJMHPHOFI-HUUCEWRRSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)[NH+]1CCN(C)CC1 ZINC000443540675 530392444 /nfs/dbraw/zinc/39/24/44/530392444.db2.gz IUDIBLJMHPHOFI-LSDHHAIUSA-N 1 0 375.539 -0.279 20 0 GBADRO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639052 530392632 /nfs/dbraw/zinc/39/26/32/530392632.db2.gz NATBSPWPEHBKCN-CABCVRRESA-N 1 0 375.535 -0.032 20 0 GBADRO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639056 530392601 /nfs/dbraw/zinc/39/26/01/530392601.db2.gz NATBSPWPEHBKCN-GJZGRUSLSA-N 1 0 375.535 -0.032 20 0 GBADRO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639058 530392405 /nfs/dbraw/zinc/39/24/05/530392405.db2.gz NATBSPWPEHBKCN-HUUCEWRRSA-N 1 0 375.535 -0.032 20 0 GBADRO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443639060 530392460 /nfs/dbraw/zinc/39/24/60/530392460.db2.gz NATBSPWPEHBKCN-LSDHHAIUSA-N 1 0 375.535 -0.032 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000443642467 1073314826 /nfs/dbraw/zinc/31/48/26/1073314826.db2.gz SCRVQVOSICASSM-UHFFFAOYSA-N 1 0 397.564 -0.491 20 0 GBADRO CN(CCCNC(=O)C[N@H+](C)CC(C)(C)CN1CCOCC1)S(C)(=O)=O ZINC000443644234 1073315118 /nfs/dbraw/zinc/31/51/18/1073315118.db2.gz DQKGMVFHZZZVTN-UHFFFAOYSA-N 1 0 392.566 -0.326 20 0 GBADRO CC[C@]1(C)CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000443654486 1073315839 /nfs/dbraw/zinc/31/58/39/1073315839.db2.gz OEQKNDCCXQKKCP-GOSISDBHSA-N 1 0 394.476 -0.473 20 0 GBADRO CC[C@@]1(C)CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCO1 ZINC000443654487 1073315506 /nfs/dbraw/zinc/31/55/06/1073315506.db2.gz OEQKNDCCXQKKCP-SFHVURJKSA-N 1 0 394.476 -0.473 20 0 GBADRO C[C@H]1C[NH+](CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000443681936 1073318171 /nfs/dbraw/zinc/31/81/71/1073318171.db2.gz NKGODNCLMDMFTG-KBPBESRZSA-N 1 0 387.506 -0.074 20 0 GBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@H](C)O1 ZINC000443681943 1073317787 /nfs/dbraw/zinc/31/77/87/1073317787.db2.gz NKGODNCLMDMFTG-OKILXGFUSA-N 1 0 387.506 -0.074 20 0 GBADRO C[C@@H]1C[NH+](CCCCNC(=O)CCn2cc(S(N)(=O)=O)cn2)C[C@@H](C)O1 ZINC000443681944 1073317962 /nfs/dbraw/zinc/31/79/62/1073317962.db2.gz NKGODNCLMDMFTG-ZIAGYGMSSA-N 1 0 387.506 -0.074 20 0 GBADRO C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)(C)C[NH+](C)C ZINC000443683794 1073317709 /nfs/dbraw/zinc/31/77/09/1073317709.db2.gz PMLRWFNYZKELIR-AWEZNQCLSA-N 1 0 395.504 -0.035 20 0 GBADRO C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)(C)C[NH+](C)C ZINC000443683795 1073317749 /nfs/dbraw/zinc/31/77/49/1073317749.db2.gz PMLRWFNYZKELIR-CQSZACIVSA-N 1 0 395.504 -0.035 20 0 GBADRO C[C@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)O1 ZINC000443684574 1073316961 /nfs/dbraw/zinc/31/69/61/1073316961.db2.gz TWGXUSMAILLDFI-KBPBESRZSA-N 1 0 387.506 -0.296 20 0 GBADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H](C)O1 ZINC000443684575 1073317018 /nfs/dbraw/zinc/31/70/18/1073317018.db2.gz TWGXUSMAILLDFI-OKILXGFUSA-N 1 0 387.506 -0.296 20 0 GBADRO C[C@@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H](C)O1 ZINC000443684576 1073317384 /nfs/dbraw/zinc/31/73/84/1073317384.db2.gz TWGXUSMAILLDFI-ZIAGYGMSSA-N 1 0 387.506 -0.296 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000443719549 530392934 /nfs/dbraw/zinc/39/29/34/530392934.db2.gz QVIDMQQVUUWQOC-HNNXBMFYSA-N 1 0 391.515 -0.282 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000443719550 530393032 /nfs/dbraw/zinc/39/30/32/530393032.db2.gz QVIDMQQVUUWQOC-OAHLLOKOSA-N 1 0 391.515 -0.282 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000443727652 530393004 /nfs/dbraw/zinc/39/30/04/530393004.db2.gz XOUCXZNVTMMEJI-CYBMUJFWSA-N 1 0 383.467 -0.212 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000443727653 530392921 /nfs/dbraw/zinc/39/29/21/530392921.db2.gz XOUCXZNVTMMEJI-ZDUSSCGKSA-N 1 0 383.467 -0.212 20 0 GBADRO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000443737027 1073327859 /nfs/dbraw/zinc/32/78/59/1073327859.db2.gz ZTHXQSDHZCUHIX-INIZCTEOSA-N 1 0 383.474 -0.015 20 0 GBADRO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000443737028 1073327877 /nfs/dbraw/zinc/32/78/77/1073327877.db2.gz ZTHXQSDHZCUHIX-MRXNPFEDSA-N 1 0 383.474 -0.015 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000443740536 1073329710 /nfs/dbraw/zinc/32/97/10/1073329710.db2.gz CEEUDFXYISQEFA-UHFFFAOYSA-N 1 0 399.473 -0.819 20 0 GBADRO Nc1ncc(Cl)cc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443750715 530113891 /nfs/dbraw/zinc/11/38/91/530113891.db2.gz ALDRDSDLFOHZPR-UHFFFAOYSA-N 1 0 391.925 -0.014 20 0 GBADRO CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000443762074 1073337591 /nfs/dbraw/zinc/33/75/91/1073337591.db2.gz VBDNYPGSWIEROM-GOSISDBHSA-N 1 0 394.476 -0.737 20 0 GBADRO CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000443762081 1073337350 /nfs/dbraw/zinc/33/73/50/1073337350.db2.gz VBDNYPGSWIEROM-SFHVURJKSA-N 1 0 394.476 -0.737 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000443768375 1073340135 /nfs/dbraw/zinc/34/01/35/1073340135.db2.gz FIFLNLKTYNDODY-UHFFFAOYSA-N 1 0 382.486 -0.073 20 0 GBADRO CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000443770009 1073339644 /nfs/dbraw/zinc/33/96/44/1073339644.db2.gz JEUHPFSEYZOCRS-UHFFFAOYSA-N 1 0 386.474 -0.461 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770470 1073340372 /nfs/dbraw/zinc/34/03/72/1073340372.db2.gz JKMCNPFSUIGOQV-KBPBESRZSA-N 1 0 385.490 -0.290 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000443770471 1073340513 /nfs/dbraw/zinc/34/05/13/1073340513.db2.gz JKMCNPFSUIGOQV-KGLIPLIRSA-N 1 0 385.490 -0.290 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770472 1073340870 /nfs/dbraw/zinc/34/08/70/1073340870.db2.gz JKMCNPFSUIGOQV-UONOGXRCSA-N 1 0 385.490 -0.290 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000443770473 1073340425 /nfs/dbraw/zinc/34/04/25/1073340425.db2.gz JKMCNPFSUIGOQV-ZIAGYGMSSA-N 1 0 385.490 -0.290 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443774548 530392878 /nfs/dbraw/zinc/39/28/78/530392878.db2.gz SMXANUFWPDVOBY-AWEZNQCLSA-N 1 0 376.479 -0.594 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000443774561 530392991 /nfs/dbraw/zinc/39/29/91/530392991.db2.gz SMXANUFWPDVOBY-CQSZACIVSA-N 1 0 376.479 -0.594 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443796598 530393037 /nfs/dbraw/zinc/39/30/37/530393037.db2.gz BIFKZCIUPLCMKK-HNNXBMFYSA-N 1 0 377.507 -0.344 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443796599 530392951 /nfs/dbraw/zinc/39/29/51/530392951.db2.gz BIFKZCIUPLCMKK-OAHLLOKOSA-N 1 0 377.507 -0.344 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443804928 530393021 /nfs/dbraw/zinc/39/30/21/530393021.db2.gz RWLORTICVJBYFF-HNNXBMFYSA-N 1 0 377.507 -0.344 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443804929 530392788 /nfs/dbraw/zinc/39/27/88/530392788.db2.gz RWLORTICVJBYFF-OAHLLOKOSA-N 1 0 377.507 -0.344 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cn1C ZINC000443811489 1073373548 /nfs/dbraw/zinc/37/35/48/1073373548.db2.gz XCIAMYFUVRZBCB-HNNXBMFYSA-N 1 0 399.517 -0.280 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cn1C ZINC000443811490 1073373264 /nfs/dbraw/zinc/37/32/64/1073373264.db2.gz XCIAMYFUVRZBCB-OAHLLOKOSA-N 1 0 399.517 -0.280 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCNC(=O)c2ccccc2)n1 ZINC000443817147 1073374614 /nfs/dbraw/zinc/37/46/14/1073374614.db2.gz PTBWMILKWICXLR-UHFFFAOYSA-N 1 0 386.456 0.320 20 0 GBADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C ZINC000443842689 1073377704 /nfs/dbraw/zinc/37/77/04/1073377704.db2.gz MVSGYBCZVQUPLG-GUTXKFCHSA-N 1 0 384.502 -0.104 20 0 GBADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C ZINC000443842690 1073378337 /nfs/dbraw/zinc/37/83/37/1073378337.db2.gz MVSGYBCZVQUPLG-IPYPFGDCSA-N 1 0 384.502 -0.104 20 0 GBADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+](C)C ZINC000443842691 1073378106 /nfs/dbraw/zinc/37/81/06/1073378106.db2.gz MVSGYBCZVQUPLG-NFAWXSAZSA-N 1 0 384.502 -0.104 20 0 GBADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+](C)C ZINC000443842692 1073378286 /nfs/dbraw/zinc/37/82/86/1073378286.db2.gz MVSGYBCZVQUPLG-YDHLFZDLSA-N 1 0 384.502 -0.104 20 0 GBADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1(O)CCCC1 ZINC000443865161 1072260620 /nfs/dbraw/zinc/26/06/20/1072260620.db2.gz ALBQZGOPMPLMNL-UHFFFAOYSA-N 1 0 382.505 -0.774 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cn1 ZINC000443873950 1073379150 /nfs/dbraw/zinc/37/91/50/1073379150.db2.gz FOKQITBDNICLHV-AWEZNQCLSA-N 1 0 385.490 -0.588 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cn1 ZINC000443873951 1073379198 /nfs/dbraw/zinc/37/91/98/1073379198.db2.gz FOKQITBDNICLHV-CQSZACIVSA-N 1 0 385.490 -0.588 20 0 GBADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876531 1072260917 /nfs/dbraw/zinc/26/09/17/1072260917.db2.gz NLYPERWFFVZORI-DLBZAZTESA-N 1 0 382.505 -0.775 20 0 GBADRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876532 1072261085 /nfs/dbraw/zinc/26/10/85/1072261085.db2.gz NLYPERWFFVZORI-IAGOWNOFSA-N 1 0 382.505 -0.775 20 0 GBADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876533 1072261054 /nfs/dbraw/zinc/26/10/54/1072261054.db2.gz NLYPERWFFVZORI-IRXDYDNUSA-N 1 0 382.505 -0.775 20 0 GBADRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000443876534 1072261172 /nfs/dbraw/zinc/26/11/72/1072261172.db2.gz NLYPERWFFVZORI-SJORKVTESA-N 1 0 382.505 -0.775 20 0 GBADRO CN1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000444006645 1073431382 /nfs/dbraw/zinc/43/13/82/1073431382.db2.gz XSEZCDFIBPHIGE-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000444029387 1073432664 /nfs/dbraw/zinc/43/26/64/1073432664.db2.gz CCTZQMAHQQMZAX-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444076868 530393620 /nfs/dbraw/zinc/39/36/20/530393620.db2.gz ZADZJBCUQWPISZ-HNNXBMFYSA-N 1 0 391.515 -0.282 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444076869 530393805 /nfs/dbraw/zinc/39/38/05/530393805.db2.gz ZADZJBCUQWPISZ-OAHLLOKOSA-N 1 0 391.515 -0.282 20 0 GBADRO Cn1cc(-c2n[nH]cc2C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000444104355 1073452279 /nfs/dbraw/zinc/45/22/79/1073452279.db2.gz XSNYAMWFQHJMTD-UHFFFAOYSA-N 1 0 385.432 -0.063 20 0 GBADRO O=C([C@H]1CC[NH2+]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000444123850 1073457206 /nfs/dbraw/zinc/45/72/06/1073457206.db2.gz SMFYCZKKRGMXSW-GFCCVEGCSA-N 1 0 380.426 -0.788 20 0 GBADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1(C)C ZINC000444124450 1073457143 /nfs/dbraw/zinc/45/71/43/1073457143.db2.gz GYYCSCIYJFVKOU-ACJLOTCBSA-N 1 0 379.461 0.213 20 0 GBADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1(C)C ZINC000444124451 1073456945 /nfs/dbraw/zinc/45/69/45/1073456945.db2.gz GYYCSCIYJFVKOU-FZKQIMNGSA-N 1 0 379.461 0.213 20 0 GBADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136485 1073458396 /nfs/dbraw/zinc/45/83/96/1073458396.db2.gz CGQXCONJMYETIP-AUUYWEPGSA-N 1 0 380.489 -0.188 20 0 GBADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136488 1073457898 /nfs/dbraw/zinc/45/78/98/1073457898.db2.gz CGQXCONJMYETIP-IFXJQAMLSA-N 1 0 380.489 -0.188 20 0 GBADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136492 1073458047 /nfs/dbraw/zinc/45/80/47/1073458047.db2.gz CGQXCONJMYETIP-KUHUBIRLSA-N 1 0 380.489 -0.188 20 0 GBADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1(C)C ZINC000444136496 1073458366 /nfs/dbraw/zinc/45/83/66/1073458366.db2.gz CGQXCONJMYETIP-LIRRHRJNSA-N 1 0 380.489 -0.188 20 0 GBADRO 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Cn1cc([C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C[C@H]2CO)cn1 ZINC000445154275 1073563399 /nfs/dbraw/zinc/56/33/99/1073563399.db2.gz ZLGQYSILZOEQAN-XIRDDKMYSA-N 1 0 392.504 -0.275 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000445179288 1073564174 /nfs/dbraw/zinc/56/41/74/1073564174.db2.gz AETFRDRTWYUKPO-INIZCTEOSA-N 1 0 395.460 -0.846 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000445179293 1073564085 /nfs/dbraw/zinc/56/40/85/1073564085.db2.gz AETFRDRTWYUKPO-MRXNPFEDSA-N 1 0 395.460 -0.846 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCN1CC(C)(C)O ZINC000445191083 1072160011 /nfs/dbraw/zinc/16/00/11/1072160011.db2.gz OEZJNATURFIFCD-CYBMUJFWSA-N 1 0 387.444 -0.096 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1CC(C)(C)O ZINC000445195458 1073566338 /nfs/dbraw/zinc/56/63/38/1073566338.db2.gz VIFGROUWMWMRPZ-AWEZNQCLSA-N 1 0 380.493 -0.313 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1CC(C)(C)O ZINC000445195472 1073565876 /nfs/dbraw/zinc/56/58/76/1073565876.db2.gz VIFGROUWMWMRPZ-CQSZACIVSA-N 1 0 380.493 -0.313 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CCN1CC(C)(C)O ZINC000445217856 1073568426 /nfs/dbraw/zinc/56/84/26/1073568426.db2.gz XOJHLTLCDHSUFH-CYBMUJFWSA-N 1 0 394.476 -0.787 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CCN1CC(C)(C)O ZINC000445217861 1073568467 /nfs/dbraw/zinc/56/84/67/1073568467.db2.gz XOJHLTLCDHSUFH-ZDUSSCGKSA-N 1 0 394.476 -0.787 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000445611829 1073578066 /nfs/dbraw/zinc/57/80/66/1073578066.db2.gz GPLBKDDEBBRBPL-UHFFFAOYSA-N 1 0 382.486 -0.167 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000445669999 1073579375 /nfs/dbraw/zinc/57/93/75/1073579375.db2.gz KCFXOHZPODRPQJ-HZSPNIEDSA-N 1 0 387.506 -0.298 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000445670000 1073579074 /nfs/dbraw/zinc/57/90/74/1073579074.db2.gz KCFXOHZPODRPQJ-MCIONIFRSA-N 1 0 387.506 -0.298 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000445670001 1073578997 /nfs/dbraw/zinc/57/89/97/1073578997.db2.gz KCFXOHZPODRPQJ-MGPQQGTHSA-N 1 0 387.506 -0.298 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000445670002 1073578913 /nfs/dbraw/zinc/57/89/13/1073578913.db2.gz KCFXOHZPODRPQJ-MJBXVCDLSA-N 1 0 387.506 -0.298 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)C1 ZINC000445763779 1073581830 /nfs/dbraw/zinc/58/18/30/1073581830.db2.gz HANVZSVFMRQMIM-KBPBESRZSA-N 1 0 387.506 -0.440 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)C1 ZINC000445763782 1073582428 /nfs/dbraw/zinc/58/24/28/1073582428.db2.gz HANVZSVFMRQMIM-KGLIPLIRSA-N 1 0 387.506 -0.440 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)C1 ZINC000445763783 1073581781 /nfs/dbraw/zinc/58/17/81/1073581781.db2.gz HANVZSVFMRQMIM-UONOGXRCSA-N 1 0 387.506 -0.440 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)C1 ZINC000445763784 1073582380 /nfs/dbraw/zinc/58/23/80/1073582380.db2.gz HANVZSVFMRQMIM-ZIAGYGMSSA-N 1 0 387.506 -0.440 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445774682 1073583025 /nfs/dbraw/zinc/58/30/25/1073583025.db2.gz RKWULMUTPCQQCG-CABCVRRESA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445774689 1073583143 /nfs/dbraw/zinc/58/31/43/1073583143.db2.gz RKWULMUTPCQQCG-GJZGRUSLSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445774691 1073582872 /nfs/dbraw/zinc/58/28/72/1073582872.db2.gz RKWULMUTPCQQCG-HUUCEWRRSA-N 1 0 381.521 -0.321 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445774692 1073582685 /nfs/dbraw/zinc/58/26/85/1073582685.db2.gz RKWULMUTPCQQCG-LSDHHAIUSA-N 1 0 381.521 -0.321 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000445777628 1073582171 /nfs/dbraw/zinc/58/21/71/1073582171.db2.gz ZMOCDEGVBIHXMO-HNNXBMFYSA-N 1 0 398.533 -0.673 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000445777631 1073582199 /nfs/dbraw/zinc/58/21/99/1073582199.db2.gz ZMOCDEGVBIHXMO-OAHLLOKOSA-N 1 0 398.533 -0.673 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)S(C)(=O)=O ZINC000445789826 530395436 /nfs/dbraw/zinc/39/54/36/530395436.db2.gz KVWKVXSAKJIFHZ-KBPBESRZSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O)S(C)(=O)=O ZINC000445789827 530395417 /nfs/dbraw/zinc/39/54/17/530395417.db2.gz KVWKVXSAKJIFHZ-KGLIPLIRSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)S(C)(=O)=O ZINC000445789866 530395511 /nfs/dbraw/zinc/39/55/11/530395511.db2.gz KVWKVXSAKJIFHZ-UONOGXRCSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)S(C)(=O)=O ZINC000445789867 530395442 /nfs/dbraw/zinc/39/54/42/530395442.db2.gz KVWKVXSAKJIFHZ-ZIAGYGMSSA-N 1 0 376.523 -0.204 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000445790317 1073582042 /nfs/dbraw/zinc/58/20/42/1073582042.db2.gz LZHYQDAMICDJHM-NEPJUHHUSA-N 1 0 384.458 -0.085 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000445790325 1073583395 /nfs/dbraw/zinc/58/33/95/1073583395.db2.gz LZHYQDAMICDJHM-NWDGAFQWSA-N 1 0 384.458 -0.085 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000445790327 1073583071 /nfs/dbraw/zinc/58/30/71/1073583071.db2.gz LZHYQDAMICDJHM-RYUDHWBXSA-N 1 0 384.458 -0.085 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000445790329 1073583001 /nfs/dbraw/zinc/58/30/01/1073583001.db2.gz LZHYQDAMICDJHM-VXGBXAGGSA-N 1 0 384.458 -0.085 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000445793539 530395463 /nfs/dbraw/zinc/39/54/63/530395463.db2.gz JSGYCQDGFABIJI-BFHYXJOUSA-N 1 0 375.491 -0.718 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000445793540 530395311 /nfs/dbraw/zinc/39/53/11/530395311.db2.gz JSGYCQDGFABIJI-HZSPNIEDSA-N 1 0 375.491 -0.718 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000445793541 530395468 /nfs/dbraw/zinc/39/54/68/530395468.db2.gz JSGYCQDGFABIJI-MELADBBJSA-N 1 0 375.491 -0.718 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000445793542 530395297 /nfs/dbraw/zinc/39/52/97/530395297.db2.gz JSGYCQDGFABIJI-MGPQQGTHSA-N 1 0 375.491 -0.718 20 0 GBADRO CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC1([NH+](C)C)CCC1 ZINC000445849078 1072554070 /nfs/dbraw/zinc/55/40/70/1072554070.db2.gz LIZHVRJLNJGCOF-UHFFFAOYSA-N 1 0 395.548 -0.595 20 0 GBADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445850389 1073584387 /nfs/dbraw/zinc/58/43/87/1073584387.db2.gz SMDJYOXUVCLHRN-AWEZNQCLSA-N 1 0 386.522 -0.769 20 0 GBADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445850390 1073584063 /nfs/dbraw/zinc/58/40/63/1073584063.db2.gz SMDJYOXUVCLHRN-CQSZACIVSA-N 1 0 386.522 -0.769 20 0 GBADRO NC(=O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000445915417 1073585823 /nfs/dbraw/zinc/58/58/23/1073585823.db2.gz FIHNMXCDYLRZKE-UHFFFAOYSA-N 1 0 387.440 -0.096 20 0 GBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC(N)=O)cc2)CC1 ZINC000445915983 1073585972 /nfs/dbraw/zinc/58/59/72/1073585972.db2.gz OPCWXFNETAZSNO-UHFFFAOYSA-N 1 0 389.456 -0.677 20 0 GBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)CCO)cc2)CC1 ZINC000445916332 1073586122 /nfs/dbraw/zinc/58/61/22/1073586122.db2.gz UCWWKVNBZISIDY-UHFFFAOYSA-N 1 0 376.457 -0.218 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)nn1 ZINC000445920130 1073585940 /nfs/dbraw/zinc/58/59/40/1073585940.db2.gz QSQXEZLTSVAHBR-UHFFFAOYSA-N 1 0 388.428 -0.190 20 0 GBADRO CN(CCO)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000445920565 1073586301 /nfs/dbraw/zinc/58/63/01/1073586301.db2.gz XMSAESYINAXWDZ-UHFFFAOYSA-N 1 0 396.419 -0.124 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000445929103 1073587230 /nfs/dbraw/zinc/58/72/30/1073587230.db2.gz CXOLEHSHNIZOPZ-KBPBESRZSA-N 1 0 385.490 -0.732 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000445929104 1073586751 /nfs/dbraw/zinc/58/67/51/1073586751.db2.gz CXOLEHSHNIZOPZ-KGLIPLIRSA-N 1 0 385.490 -0.732 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000445929105 1073587272 /nfs/dbraw/zinc/58/72/72/1073587272.db2.gz CXOLEHSHNIZOPZ-UONOGXRCSA-N 1 0 385.490 -0.732 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000445929106 1073586682 /nfs/dbraw/zinc/58/66/82/1073586682.db2.gz CXOLEHSHNIZOPZ-ZIAGYGMSSA-N 1 0 385.490 -0.732 20 0 GBADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000445932100 1073587139 /nfs/dbraw/zinc/58/71/39/1073587139.db2.gz JVGKNBZIDRUJOJ-UHFFFAOYSA-N 1 0 382.486 -0.120 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000445934292 1073586854 /nfs/dbraw/zinc/58/68/54/1073586854.db2.gz IGDWWRPRDOPBIK-CYBMUJFWSA-N 1 0 386.522 -0.771 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000445934293 1073586769 /nfs/dbraw/zinc/58/67/69/1073586769.db2.gz IGDWWRPRDOPBIK-ZDUSSCGKSA-N 1 0 386.522 -0.771 20 0 GBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000445939846 1073588246 /nfs/dbraw/zinc/58/82/46/1073588246.db2.gz XLEZHGHWQDEYMA-KBPBESRZSA-N 1 0 394.476 -0.523 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000445939847 1073588143 /nfs/dbraw/zinc/58/81/43/1073588143.db2.gz XLEZHGHWQDEYMA-OKILXGFUSA-N 1 0 394.476 -0.523 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000445939848 1073588065 /nfs/dbraw/zinc/58/80/65/1073588065.db2.gz XLEZHGHWQDEYMA-ZIAGYGMSSA-N 1 0 394.476 -0.523 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000445984928 1073589278 /nfs/dbraw/zinc/58/92/78/1073589278.db2.gz FGTJDANVGHMGGR-KBPBESRZSA-N 1 0 386.522 -0.913 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000445984929 1073588712 /nfs/dbraw/zinc/58/87/12/1073588712.db2.gz FGTJDANVGHMGGR-KGLIPLIRSA-N 1 0 386.522 -0.913 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000445984930 1073589162 /nfs/dbraw/zinc/58/91/62/1073589162.db2.gz FGTJDANVGHMGGR-UONOGXRCSA-N 1 0 386.522 -0.913 20 0 GBADRO C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C[NH+]1CCN(C)CC1 ZINC000445984931 1073589557 /nfs/dbraw/zinc/58/95/57/1073589557.db2.gz FGTJDANVGHMGGR-ZIAGYGMSSA-N 1 0 386.522 -0.913 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991573 1073590096 /nfs/dbraw/zinc/59/00/96/1073590096.db2.gz MCXNZONHAIHQCP-UONOGXRCSA-N 1 0 386.522 -0.771 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445991575 1073590037 /nfs/dbraw/zinc/59/00/37/1073590037.db2.gz MCXNZONHAIHQCP-ZIAGYGMSSA-N 1 0 386.522 -0.771 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000446026870 1073590895 /nfs/dbraw/zinc/59/08/95/1073590895.db2.gz VDMQXFDVLHYMQX-OAHLLOKOSA-N 1 0 397.497 -0.158 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000446040782 1073592047 /nfs/dbraw/zinc/59/20/47/1073592047.db2.gz DNNWZWSJLPGQDC-UHFFFAOYSA-N 1 0 375.429 -0.213 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000446049663 1073592153 /nfs/dbraw/zinc/59/21/53/1073592153.db2.gz BPJPNXNYQSFLKV-FQEVSTJZSA-N 1 0 392.500 -0.071 20 0 GBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000446049664 1073591994 /nfs/dbraw/zinc/59/19/94/1073591994.db2.gz BPJPNXNYQSFLKV-HXUWFJFHSA-N 1 0 392.500 -0.071 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000446052728 1073592564 /nfs/dbraw/zinc/59/25/64/1073592564.db2.gz NBCAUEUEASTUHF-AWEZNQCLSA-N 1 0 386.522 -0.817 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000446052729 1073592211 /nfs/dbraw/zinc/59/22/11/1073592211.db2.gz NBCAUEUEASTUHF-CQSZACIVSA-N 1 0 386.522 -0.817 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000446111329 1073593115 /nfs/dbraw/zinc/59/31/15/1073593115.db2.gz INFAUSAWSIRBSD-CYBMUJFWSA-N 1 0 387.506 -0.344 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000446111330 1073593066 /nfs/dbraw/zinc/59/30/66/1073593066.db2.gz INFAUSAWSIRBSD-ZDUSSCGKSA-N 1 0 387.506 -0.344 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000446161750 1073595831 /nfs/dbraw/zinc/59/58/31/1073595831.db2.gz NRJBWKNXEAGXOT-UHFFFAOYSA-N 1 0 388.472 -0.101 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446162685 1073595819 /nfs/dbraw/zinc/59/58/19/1073595819.db2.gz SVCKTWHULKQYBW-CYBMUJFWSA-N 1 0 387.506 -0.296 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000446162686 1073595560 /nfs/dbraw/zinc/59/55/60/1073595560.db2.gz SVCKTWHULKQYBW-ZDUSSCGKSA-N 1 0 387.506 -0.296 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000446163112 1073595841 /nfs/dbraw/zinc/59/58/41/1073595841.db2.gz QMZBNICHUHRQEA-UHFFFAOYSA-N 1 0 389.456 -0.217 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CCC1 ZINC000446171923 1073595069 /nfs/dbraw/zinc/59/50/69/1073595069.db2.gz UDJZRMDYEXYUAD-UHFFFAOYSA-N 1 0 375.429 -0.559 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000446172482 1073595082 /nfs/dbraw/zinc/59/50/82/1073595082.db2.gz XEAHEGSEHQYVLP-AWEZNQCLSA-N 1 0 399.517 -0.152 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000446172483 1073595099 /nfs/dbraw/zinc/59/50/99/1073595099.db2.gz 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C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000446182277 1073596477 /nfs/dbraw/zinc/59/64/77/1073596477.db2.gz FITVNPFVSAOLLP-ZIAGYGMSSA-N 1 0 387.506 -0.344 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cn1 ZINC000446194063 1073596504 /nfs/dbraw/zinc/59/65/04/1073596504.db2.gz XHHPPWRSGTVJAY-UHFFFAOYSA-N 1 0 394.476 -0.473 20 0 GBADRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000446195207 1073597047 /nfs/dbraw/zinc/59/70/47/1073597047.db2.gz BJIGPTYCMXKSEN-AWEZNQCLSA-N 1 0 395.441 -0.910 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446199245 1073598033 /nfs/dbraw/zinc/59/80/33/1073598033.db2.gz CYUKQZYCRRQBBF-BIENJYKASA-N 1 0 380.489 -0.286 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446199246 1073598113 /nfs/dbraw/zinc/59/81/13/1073598113.db2.gz CYUKQZYCRRQBBF-CKFHNAJUSA-N 1 0 380.489 -0.286 20 0 GBADRO 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CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000446258003 1073601474 /nfs/dbraw/zinc/60/14/74/1073601474.db2.gz INOQIOMNURLKGI-XAUMDUMWSA-N 1 0 394.516 -0.478 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446262755 1073602339 /nfs/dbraw/zinc/60/23/39/1073602339.db2.gz PFNYAGRFNOLWHV-IDHHARJASA-N 1 0 382.505 -0.574 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446262756 1073602706 /nfs/dbraw/zinc/60/27/06/1073602706.db2.gz PFNYAGRFNOLWHV-SIXWZSSISA-N 1 0 382.505 -0.574 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446262757 1073602266 /nfs/dbraw/zinc/60/22/66/1073602266.db2.gz PFNYAGRFNOLWHV-URLQWDBASA-N 1 0 382.505 -0.574 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446262758 1073602056 /nfs/dbraw/zinc/60/20/56/1073602056.db2.gz PFNYAGRFNOLWHV-ZSZQSSIHSA-N 1 0 382.505 -0.574 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265040 1073603171 /nfs/dbraw/zinc/60/31/71/1073603171.db2.gz BOJXQUSKXDDEOB-MDYRTPRTSA-N 1 0 394.516 -0.478 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265041 1073603080 /nfs/dbraw/zinc/60/30/80/1073603080.db2.gz BOJXQUSKXDDEOB-VPWXQRGCSA-N 1 0 394.516 -0.478 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265042 1073603677 /nfs/dbraw/zinc/60/36/77/1073603677.db2.gz BOJXQUSKXDDEOB-WRWLIDTKSA-N 1 0 394.516 -0.478 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000446265043 1073603214 /nfs/dbraw/zinc/60/32/14/1073603214.db2.gz BOJXQUSKXDDEOB-XAUMDUMWSA-N 1 0 394.516 -0.478 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446273496 1073602683 /nfs/dbraw/zinc/60/26/83/1073602683.db2.gz ARPULSGJHATRFL-UONOGXRCSA-N 1 0 385.465 -0.650 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000446283065 1073602031 /nfs/dbraw/zinc/60/20/31/1073602031.db2.gz SQKYKFVAYQIBBT-AWEZNQCLSA-N 1 0 399.517 -0.342 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000446283066 1073602638 /nfs/dbraw/zinc/60/26/38/1073602638.db2.gz SQKYKFVAYQIBBT-CQSZACIVSA-N 1 0 399.517 -0.342 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365732 1073606167 /nfs/dbraw/zinc/60/61/67/1073606167.db2.gz BJMHZBHVQPHQSA-COCVIAQXSA-N 1 0 394.516 -0.432 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365733 1073606389 /nfs/dbraw/zinc/60/63/89/1073606389.db2.gz BJMHZBHVQPHQSA-DOHHPOSVSA-N 1 0 394.516 -0.432 20 0 GBADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000446365734 1073606020 /nfs/dbraw/zinc/60/60/20/1073606020.db2.gz BJMHZBHVQPHQSA-JTWUUNPKSA-N 1 0 394.516 -0.432 20 0 GBADRO 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397.497 -0.263 20 0 GBADRO O=C(NCC[N@@H+]1CCCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000446597857 1073612549 /nfs/dbraw/zinc/61/25/49/1073612549.db2.gz AJOHMGPRZSPSER-HNNXBMFYSA-N 1 0 392.522 -0.504 20 0 GBADRO O=C(NCC[N@@H+]1CCCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000446597858 1073612648 /nfs/dbraw/zinc/61/26/48/1073612648.db2.gz AJOHMGPRZSPSER-OAHLLOKOSA-N 1 0 392.522 -0.504 20 0 GBADRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000446641368 1073614856 /nfs/dbraw/zinc/61/48/56/1073614856.db2.gz DVPDBPBXQGHSNO-UHFFFAOYSA-N 1 0 381.521 -0.048 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446675540 1073615742 /nfs/dbraw/zinc/61/57/42/1073615742.db2.gz HIHYZDTZNADCFL-LLVKDONJSA-N 1 0 391.457 -0.072 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446675541 1073615816 /nfs/dbraw/zinc/61/58/16/1073615816.db2.gz HIHYZDTZNADCFL-NSHDSACASA-N 1 0 391.457 -0.072 20 0 GBADRO Cn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)n1 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QVQKVKUYBWKMEF-AWEZNQCLSA-N 1 0 380.449 -0.863 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cn1 ZINC000446719901 1073617673 /nfs/dbraw/zinc/61/76/73/1073617673.db2.gz QVQKVKUYBWKMEF-CQSZACIVSA-N 1 0 380.449 -0.863 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000446721205 1073617910 /nfs/dbraw/zinc/61/79/10/1073617910.db2.gz RCWMVDNTOBSAJR-AWEZNQCLSA-N 1 0 376.461 -0.098 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000446721206 1073617502 /nfs/dbraw/zinc/61/75/02/1073617502.db2.gz RCWMVDNTOBSAJR-CQSZACIVSA-N 1 0 376.461 -0.098 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)n1 ZINC000446721357 1073617693 /nfs/dbraw/zinc/61/76/93/1073617693.db2.gz SRAYJZGRNNITNE-UHFFFAOYSA-N 1 0 378.477 -0.294 20 0 GBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)N1CCCC[C@@H]1C ZINC000446727370 1073618677 /nfs/dbraw/zinc/61/86/77/1073618677.db2.gz VIWSQSVJMBTQDO-UONOGXRCSA-N 1 0 378.477 0.289 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)n1 ZINC000446727529 1073618723 /nfs/dbraw/zinc/61/87/23/1073618723.db2.gz DGGAQIJTVPFKSD-UHFFFAOYSA-N 1 0 386.456 0.438 20 0 GBADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000446728575 1073618610 /nfs/dbraw/zinc/61/86/10/1073618610.db2.gz ORHMZUOZTLVAIC-UHFFFAOYSA-N 1 0 390.419 0.226 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000446731056 1073618734 /nfs/dbraw/zinc/61/87/34/1073618734.db2.gz DCPHVEUNHRYEDX-UHFFFAOYSA-N 1 0 398.467 -0.217 20 0 GBADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446736408 1073620771 /nfs/dbraw/zinc/62/07/71/1073620771.db2.gz OXZBPXNAHNWUAE-LBPRGKRZSA-N 1 0 389.378 0.565 20 0 GBADRO Cc1noc(C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n1 ZINC000446742655 1073619867 /nfs/dbraw/zinc/61/98/67/1073619867.db2.gz HEXIQIKXBPLUCZ-UHFFFAOYSA-N 1 0 375.433 0.481 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)C1 ZINC000446743521 1073619585 /nfs/dbraw/zinc/61/95/85/1073619585.db2.gz KMVAQTIEIBVDHK-HNNXBMFYSA-N 1 0 394.476 -0.473 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)C1 ZINC000446743522 1073619780 /nfs/dbraw/zinc/61/97/80/1073619780.db2.gz KMVAQTIEIBVDHK-OAHLLOKOSA-N 1 0 394.476 -0.473 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000446743927 1073619589 /nfs/dbraw/zinc/61/95/89/1073619589.db2.gz HEBCZJHXFGGXCS-INIZCTEOSA-N 1 0 392.504 -0.046 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000446743929 1073619549 /nfs/dbraw/zinc/61/95/49/1073619549.db2.gz HEBCZJHXFGGXCS-MRXNPFEDSA-N 1 0 392.504 -0.046 20 0 GBADRO CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446747267 1073619539 /nfs/dbraw/zinc/61/95/39/1073619539.db2.gz BLZGCJWPTIZFCF-UHFFFAOYSA-N 1 0 393.492 -0.011 20 0 GBADRO Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC000446747690 1073619722 /nfs/dbraw/zinc/61/97/22/1073619722.db2.gz HFFGFGGMCQAMAX-AWEZNQCLSA-N 1 0 388.476 -0.098 20 0 GBADRO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC000446747691 1073619739 /nfs/dbraw/zinc/61/97/39/1073619739.db2.gz HFFGFGGMCQAMAX-CQSZACIVSA-N 1 0 388.476 -0.098 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000446748463 1073619918 /nfs/dbraw/zinc/61/99/18/1073619918.db2.gz PJJSBSLLXNZZGV-AWEZNQCLSA-N 1 0 376.461 -0.052 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000446748464 1073619631 /nfs/dbraw/zinc/61/96/31/1073619631.db2.gz PJJSBSLLXNZZGV-CQSZACIVSA-N 1 0 376.461 -0.052 20 0 GBADRO COC(=O)Cn1cc(CC[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)nn1 ZINC000446758728 1073621754 /nfs/dbraw/zinc/62/17/54/1073621754.db2.gz CDKGQAWNUFRBOK-UHFFFAOYSA-N 1 0 378.477 -0.376 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000446766954 530395855 /nfs/dbraw/zinc/39/58/55/530395855.db2.gz UBINHDYJXHZXGF-GASCZTMLSA-N 1 0 377.507 -0.501 20 0 GBADRO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000446766963 530395877 /nfs/dbraw/zinc/39/58/77/530395877.db2.gz UBINHDYJXHZXGF-GJZGRUSLSA-N 1 0 377.507 -0.501 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CC3(O)CCOCC3)CC2)C[C@@H](C)O1 ZINC000446766964 530395707 /nfs/dbraw/zinc/39/57/07/530395707.db2.gz UBINHDYJXHZXGF-HUUCEWRRSA-N 1 0 377.507 -0.501 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000446774596 1073622070 /nfs/dbraw/zinc/62/20/70/1073622070.db2.gz GWCSZODBXDRLMG-KGLIPLIRSA-N 1 0 378.477 0.146 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000446774599 1073621686 /nfs/dbraw/zinc/62/16/86/1073621686.db2.gz GWCSZODBXDRLMG-ZIAGYGMSSA-N 1 0 378.477 0.146 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000446776820 1073621716 /nfs/dbraw/zinc/62/17/16/1073621716.db2.gz MOHWSVLPEVMIRC-AWEZNQCLSA-N 1 0 378.477 -0.247 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[N@H+](C)C1CC1 ZINC000446776821 1073621941 /nfs/dbraw/zinc/62/19/41/1073621941.db2.gz MOHWSVLPEVMIRC-CQSZACIVSA-N 1 0 378.477 -0.247 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446780561 1073623621 /nfs/dbraw/zinc/62/36/21/1073623621.db2.gz LMIAOFAKXKKWFJ-AWEZNQCLSA-N 1 0 376.461 -0.493 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446780562 1073623929 /nfs/dbraw/zinc/62/39/29/1073623929.db2.gz LMIAOFAKXKKWFJ-CQSZACIVSA-N 1 0 376.461 -0.493 20 0 GBADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446782771 1073623575 /nfs/dbraw/zinc/62/35/75/1073623575.db2.gz CWELYTAFYBCSDM-UHFFFAOYSA-N 1 0 392.504 0.002 20 0 GBADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446789177 1073621511 /nfs/dbraw/zinc/62/15/11/1073621511.db2.gz BZHMDQUSJXFBRK-UHFFFAOYSA-N 1 0 387.444 -0.801 20 0 GBADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000446790035 1073621749 /nfs/dbraw/zinc/62/17/49/1073621749.db2.gz LWQSTRNDDQPNNH-UHFFFAOYSA-N 1 0 386.456 0.238 20 0 GBADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000446799000 1073622691 /nfs/dbraw/zinc/62/26/91/1073622691.db2.gz IQFSWOFTBTUKQX-INIZCTEOSA-N 1 0 392.456 -0.091 20 0 GBADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000446799001 1073622985 /nfs/dbraw/zinc/62/29/85/1073622985.db2.gz IQFSWOFTBTUKQX-MRXNPFEDSA-N 1 0 392.456 -0.091 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cn1 ZINC000446804809 1073625712 /nfs/dbraw/zinc/62/57/12/1073625712.db2.gz WWQNRVMOJOUMPC-UHFFFAOYSA-N 1 0 376.417 -0.249 20 0 GBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000446808764 1073625562 /nfs/dbraw/zinc/62/55/62/1073625562.db2.gz NEIMLJOVNJTBHJ-CVEARBPZSA-N 1 0 392.456 -0.739 20 0 GBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000446808766 1073625644 /nfs/dbraw/zinc/62/56/44/1073625644.db2.gz NEIMLJOVNJTBHJ-HOTGVXAUSA-N 1 0 392.456 -0.739 20 0 GBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000446808768 1073625301 /nfs/dbraw/zinc/62/53/01/1073625301.db2.gz NEIMLJOVNJTBHJ-HZPDHXFCSA-N 1 0 392.456 -0.739 20 0 GBADRO CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000446808769 1073625690 /nfs/dbraw/zinc/62/56/90/1073625690.db2.gz NEIMLJOVNJTBHJ-JKSUJKDBSA-N 1 0 392.456 -0.739 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccccc3O)CC2)n1 ZINC000446814688 1073623532 /nfs/dbraw/zinc/62/35/32/1073623532.db2.gz YMEHQHQTTFIZGI-UHFFFAOYSA-N 1 0 386.456 0.438 20 0 GBADRO CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CCSC1 ZINC000446817424 1073624717 /nfs/dbraw/zinc/62/47/17/1073624717.db2.gz HUQOKLHRTBNQEN-CYBMUJFWSA-N 1 0 382.490 -0.537 20 0 GBADRO CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CCSC1 ZINC000446817425 1073624870 /nfs/dbraw/zinc/62/48/70/1073624870.db2.gz HUQOKLHRTBNQEN-ZDUSSCGKSA-N 1 0 382.490 -0.537 20 0 GBADRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)n1 ZINC000446835352 1073626534 /nfs/dbraw/zinc/62/65/34/1073626534.db2.gz NYWKZNXEVMEGEP-UHFFFAOYSA-N 1 0 376.417 -0.242 20 0 GBADRO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446854095 1073626621 /nfs/dbraw/zinc/62/66/21/1073626621.db2.gz VDDHXKVKRDXCCY-GDBMZVCRSA-N 1 0 396.513 -0.097 20 0 GBADRO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446854096 1073626572 /nfs/dbraw/zinc/62/65/72/1073626572.db2.gz VDDHXKVKRDXCCY-GOEBONIOSA-N 1 0 396.513 -0.097 20 0 GBADRO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446854097 1073626474 /nfs/dbraw/zinc/62/64/74/1073626474.db2.gz VDDHXKVKRDXCCY-HOCLYGCPSA-N 1 0 396.513 -0.097 20 0 GBADRO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446854098 1073626386 /nfs/dbraw/zinc/62/63/86/1073626386.db2.gz VDDHXKVKRDXCCY-ZBFHGGJFSA-N 1 0 396.513 -0.097 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855206 1073627607 /nfs/dbraw/zinc/62/76/07/1073627607.db2.gz ACYFLLWBPCZFJG-DZGCQCFKSA-N 1 0 382.486 -0.488 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855209 1073627623 /nfs/dbraw/zinc/62/76/23/1073627623.db2.gz ACYFLLWBPCZFJG-HIFRSBDPSA-N 1 0 382.486 -0.488 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855210 1073627370 /nfs/dbraw/zinc/62/73/70/1073627370.db2.gz ACYFLLWBPCZFJG-UKRRQHHQSA-N 1 0 382.486 -0.488 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000446855212 1073627392 /nfs/dbraw/zinc/62/73/92/1073627392.db2.gz ACYFLLWBPCZFJG-ZFWWWQNUSA-N 1 0 382.486 -0.488 20 0 GBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000446862340 1073627349 /nfs/dbraw/zinc/62/73/49/1073627349.db2.gz QHHFTJRNQCIMRO-UHFFFAOYSA-N 1 0 398.441 -0.160 20 0 GBADRO Cc1oc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1S(N)(=O)=O ZINC000446907508 1073628901 /nfs/dbraw/zinc/62/89/01/1073628901.db2.gz DRVUTJPVXJKBFC-UHFFFAOYSA-N 1 0 386.474 -0.092 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)S(N)(=O)=O ZINC000446911059 1073629225 /nfs/dbraw/zinc/62/92/25/1073629225.db2.gz OSKNYHLMISYVDT-GFCCVEGCSA-N 1 0 388.465 -0.491 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)S(N)(=O)=O ZINC000446911062 1073628877 /nfs/dbraw/zinc/62/88/77/1073628877.db2.gz OSKNYHLMISYVDT-LBPRGKRZSA-N 1 0 388.465 -0.491 20 0 GBADRO Cc1oc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1S(N)(=O)=O ZINC000446918189 1073629521 /nfs/dbraw/zinc/62/95/21/1073629521.db2.gz JLVVZDVRHYBAKH-UHFFFAOYSA-N 1 0 398.445 -0.638 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000446919718 1073629003 /nfs/dbraw/zinc/62/90/03/1073629003.db2.gz IBFIADBEOWIYQL-AEGPPILISA-N 1 0 386.474 -0.072 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000446919720 1073628894 /nfs/dbraw/zinc/62/88/94/1073628894.db2.gz IBFIADBEOWIYQL-BPLDGKMQSA-N 1 0 386.474 -0.072 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000446919723 1073628849 /nfs/dbraw/zinc/62/88/49/1073628849.db2.gz IBFIADBEOWIYQL-NWANDNLSSA-N 1 0 386.474 -0.072 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000446919724 1073629050 /nfs/dbraw/zinc/62/90/50/1073629050.db2.gz IBFIADBEOWIYQL-VHDGCEQUSA-N 1 0 386.474 -0.072 20 0 GBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)sc1S(N)(=O)=O ZINC000446921462 530396233 /nfs/dbraw/zinc/39/62/33/530396233.db2.gz GUVUVGALCPHNMF-SECBINFHSA-N 1 0 390.487 -0.526 20 0 GBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)sc1S(N)(=O)=O ZINC000446921463 530396195 /nfs/dbraw/zinc/39/61/95/530396195.db2.gz GUVUVGALCPHNMF-VIFPVBQESA-N 1 0 390.487 -0.526 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000446934299 530396044 /nfs/dbraw/zinc/39/60/44/530396044.db2.gz UIBPVNKRHRZSCR-HZSPNIEDSA-N 1 0 381.520 -0.855 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000446934300 530396215 /nfs/dbraw/zinc/39/62/15/530396215.db2.gz UIBPVNKRHRZSCR-MCIONIFRSA-N 1 0 381.520 -0.855 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000446934301 530396112 /nfs/dbraw/zinc/39/61/12/530396112.db2.gz UIBPVNKRHRZSCR-MGPQQGTHSA-N 1 0 381.520 -0.855 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000446934302 530396327 /nfs/dbraw/zinc/39/63/27/530396327.db2.gz UIBPVNKRHRZSCR-RDBSUJKOSA-N 1 0 381.520 -0.855 20 0 GBADRO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000446947885 1073629308 /nfs/dbraw/zinc/62/93/08/1073629308.db2.gz JOICOHKIGBREQB-AWEZNQCLSA-N 1 0 382.486 -0.331 20 0 GBADRO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000446947886 1073629410 /nfs/dbraw/zinc/62/94/10/1073629410.db2.gz JOICOHKIGBREQB-CQSZACIVSA-N 1 0 382.486 -0.331 20 0 GBADRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000447013114 1073631178 /nfs/dbraw/zinc/63/11/78/1073631178.db2.gz KHRZRSYICIPURE-GDBMZVCRSA-N 1 0 387.502 -0.132 20 0 GBADRO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000447013115 1073631368 /nfs/dbraw/zinc/63/13/68/1073631368.db2.gz KHRZRSYICIPURE-GOEBONIOSA-N 1 0 387.502 -0.132 20 0 GBADRO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000447013116 1073631384 /nfs/dbraw/zinc/63/13/84/1073631384.db2.gz KHRZRSYICIPURE-HOCLYGCPSA-N 1 0 387.502 -0.132 20 0 GBADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000447013117 1073631190 /nfs/dbraw/zinc/63/11/90/1073631190.db2.gz KHRZRSYICIPURE-ZBFHGGJFSA-N 1 0 387.502 -0.132 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000447044994 1073632464 /nfs/dbraw/zinc/63/24/64/1073632464.db2.gz RKHDHLGJLCWEOR-UHFFFAOYSA-N 1 0 390.444 0.093 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447050201 1073632388 /nfs/dbraw/zinc/63/23/88/1073632388.db2.gz ZGTXTDGYKXJJML-UHFFFAOYSA-N 1 0 381.521 -0.049 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000447053925 1073632451 /nfs/dbraw/zinc/63/24/51/1073632451.db2.gz IDIHBDWOYCKPLX-UHFFFAOYSA-N 1 0 380.470 -0.369 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000447079406 1073632120 /nfs/dbraw/zinc/63/21/20/1073632120.db2.gz VSRIMGPTLGOHPL-UHFFFAOYSA-N 1 0 393.473 -0.516 20 0 GBADRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000447079932 530396052 /nfs/dbraw/zinc/39/60/52/530396052.db2.gz YAEHBKVPCXOYIU-UHFFFAOYSA-N 1 0 376.504 -0.277 20 0 GBADRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000447084696 1073632300 /nfs/dbraw/zinc/63/23/00/1073632300.db2.gz FLJNGPCVKCLTLG-UHFFFAOYSA-N 1 0 394.497 -0.047 20 0 GBADRO COc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000447093172 530396367 /nfs/dbraw/zinc/39/63/67/530396367.db2.gz HONIRRCDPKWCAL-UHFFFAOYSA-N 1 0 390.487 -0.750 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447127348 1073634484 /nfs/dbraw/zinc/63/44/84/1073634484.db2.gz HNQJTALLAJPVEW-UHFFFAOYSA-N 1 0 379.387 -0.542 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C1 ZINC000447133709 530396077 /nfs/dbraw/zinc/39/60/77/530396077.db2.gz QVFPTHHVTGSEKJ-AWEZNQCLSA-N 1 0 385.552 -0.312 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C1 ZINC000447133712 530396156 /nfs/dbraw/zinc/39/61/56/530396156.db2.gz QVFPTHHVTGSEKJ-CQSZACIVSA-N 1 0 385.552 -0.312 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000447142090 530396250 /nfs/dbraw/zinc/39/62/50/530396250.db2.gz IJICEWBUTZLQMF-UHFFFAOYSA-N 1 0 385.552 -0.266 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000447144779 530396186 /nfs/dbraw/zinc/39/61/86/530396186.db2.gz CJBYQNMFNSLLGU-UHFFFAOYSA-N 1 0 397.563 -0.168 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000447186401 530396470 /nfs/dbraw/zinc/39/64/70/530396470.db2.gz WURLPFZMJVMJTH-CABCVRRESA-N 1 0 399.579 -0.018 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000447186402 530396541 /nfs/dbraw/zinc/39/65/41/530396541.db2.gz WURLPFZMJVMJTH-GJZGRUSLSA-N 1 0 399.579 -0.018 20 0 GBADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000447186403 530396650 /nfs/dbraw/zinc/39/66/50/530396650.db2.gz WURLPFZMJVMJTH-HUUCEWRRSA-N 1 0 399.579 -0.018 20 0 GBADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000447186404 530396502 /nfs/dbraw/zinc/39/65/02/530396502.db2.gz WURLPFZMJVMJTH-LSDHHAIUSA-N 1 0 399.579 -0.018 20 0 GBADRO COC(=O)c1nscc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000447188911 530396479 /nfs/dbraw/zinc/39/64/79/530396479.db2.gz BDZUAGWXWCWKLG-UHFFFAOYSA-N 1 0 376.460 -0.676 20 0 GBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCNS(=O)(=O)CC)CC1 ZINC000447189305 530396496 /nfs/dbraw/zinc/39/64/96/530396496.db2.gz AZVALZZYOUTRIJ-AWEZNQCLSA-N 1 0 384.568 -0.881 20 0 GBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCNS(=O)(=O)CC)CC1 ZINC000447189306 530396473 /nfs/dbraw/zinc/39/64/73/530396473.db2.gz AZVALZZYOUTRIJ-CQSZACIVSA-N 1 0 384.568 -0.881 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000447190759 530396596 /nfs/dbraw/zinc/39/65/96/530396596.db2.gz GZFWPAASICVYHB-UHFFFAOYSA-N 1 0 378.520 -0.286 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000447193747 530396459 /nfs/dbraw/zinc/39/64/59/530396459.db2.gz PWOPOPXZNGZKRI-UHFFFAOYSA-N 1 0 383.536 -0.510 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000447197898 530396488 /nfs/dbraw/zinc/39/64/88/530396488.db2.gz FRAKWWQAFVZJLA-UHFFFAOYSA-N 1 0 385.552 -0.266 20 0 GBADRO Cn1cnc(CCNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC000447205776 1073636065 /nfs/dbraw/zinc/63/60/65/1073636065.db2.gz BLIVPPNUAIXORZ-UHFFFAOYSA-N 1 0 385.472 -0.140 20 0 GBADRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447240928 530396926 /nfs/dbraw/zinc/39/69/26/530396926.db2.gz VCZZFXFDPNLVFF-GFCCVEGCSA-N 1 0 377.488 -0.419 20 0 GBADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447240929 530396894 /nfs/dbraw/zinc/39/68/94/530396894.db2.gz VCZZFXFDPNLVFF-LBPRGKRZSA-N 1 0 377.488 -0.419 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1C ZINC000447241663 1073637146 /nfs/dbraw/zinc/63/71/46/1073637146.db2.gz BNKKNEJEQVWWBB-GFCCVEGCSA-N 1 0 386.474 -0.180 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1C ZINC000447241664 1073637178 /nfs/dbraw/zinc/63/71/78/1073637178.db2.gz BNKKNEJEQVWWBB-LBPRGKRZSA-N 1 0 386.474 -0.180 20 0 GBADRO CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1C ZINC000447242374 1073636790 /nfs/dbraw/zinc/63/67/90/1073636790.db2.gz BMAOAFHZQXKRPS-CYBMUJFWSA-N 1 0 399.517 -0.265 20 0 GBADRO CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1C ZINC000447242376 1073636936 /nfs/dbraw/zinc/63/69/36/1073636936.db2.gz BMAOAFHZQXKRPS-ZDUSSCGKSA-N 1 0 399.517 -0.265 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C(N)=O ZINC000447245518 1073637140 /nfs/dbraw/zinc/63/71/40/1073637140.db2.gz MKIOSKPYXIZEJF-GFCCVEGCSA-N 1 0 398.485 -0.198 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C(N)=O ZINC000447245519 1073636753 /nfs/dbraw/zinc/63/67/53/1073636753.db2.gz MKIOSKPYXIZEJF-LBPRGKRZSA-N 1 0 398.485 -0.198 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000447245857 1073637162 /nfs/dbraw/zinc/63/71/62/1073637162.db2.gz GJAIKRWLNSIJSN-GFCCVEGCSA-N 1 0 387.462 -0.936 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000447245858 1073636887 /nfs/dbraw/zinc/63/68/87/1073636887.db2.gz GJAIKRWLNSIJSN-LBPRGKRZSA-N 1 0 387.462 -0.936 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000447246408 1073636629 /nfs/dbraw/zinc/63/66/29/1073636629.db2.gz OZCPUXSKMXRNSZ-DUZHOBMZSA-N 1 0 382.442 -0.283 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000447246412 1073637005 /nfs/dbraw/zinc/63/70/05/1073637005.db2.gz OZCPUXSKMXRNSZ-HCYDYPBKSA-N 1 0 382.442 -0.283 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000447246414 1073636639 /nfs/dbraw/zinc/63/66/39/1073636639.db2.gz OZCPUXSKMXRNSZ-PXTQAZKISA-N 1 0 382.442 -0.283 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000447246417 1073636744 /nfs/dbraw/zinc/63/67/44/1073636744.db2.gz OZCPUXSKMXRNSZ-RVIYUIFMSA-N 1 0 382.442 -0.283 20 0 GBADRO COC(=O)c1nscc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000447246433 530396964 /nfs/dbraw/zinc/39/69/64/530396964.db2.gz OLOGPFPWGBVWND-JTQLQIEISA-N 1 0 390.487 -0.062 20 0 GBADRO COC(=O)c1nscc1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000447246437 530396902 /nfs/dbraw/zinc/39/69/02/530396902.db2.gz OLOGPFPWGBVWND-SNVBAGLBSA-N 1 0 390.487 -0.062 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000447247500 1073636913 /nfs/dbraw/zinc/63/69/13/1073636913.db2.gz QYOXLEPRXDDVQD-AWEZNQCLSA-N 1 0 393.473 -0.330 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000447247501 1073636897 /nfs/dbraw/zinc/63/68/97/1073636897.db2.gz QYOXLEPRXDDVQD-CQSZACIVSA-N 1 0 393.473 -0.330 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000447249945 1073637825 /nfs/dbraw/zinc/63/78/25/1073637825.db2.gz YGPFTDOMIFXMIZ-GFCCVEGCSA-N 1 0 384.458 -0.124 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000447249947 1073637653 /nfs/dbraw/zinc/63/76/53/1073637653.db2.gz YGPFTDOMIFXMIZ-LBPRGKRZSA-N 1 0 384.458 -0.124 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1C ZINC000447250834 1073637758 /nfs/dbraw/zinc/63/77/58/1073637758.db2.gz XCDKQBZCODCCGI-GFCCVEGCSA-N 1 0 385.490 -0.607 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1C ZINC000447250835 1073637727 /nfs/dbraw/zinc/63/77/27/1073637727.db2.gz XCDKQBZCODCCGI-LBPRGKRZSA-N 1 0 385.490 -0.607 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000447250953 1073637603 /nfs/dbraw/zinc/63/76/03/1073637603.db2.gz NUQZWHHIMWWCCG-AWEZNQCLSA-N 1 0 393.473 -0.330 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000447250954 1073637784 /nfs/dbraw/zinc/63/77/84/1073637784.db2.gz NUQZWHHIMWWCCG-CQSZACIVSA-N 1 0 393.473 -0.330 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000447252225 1073637791 /nfs/dbraw/zinc/63/77/91/1073637791.db2.gz XVQLBZBTUXXWQH-KBPBESRZSA-N 1 0 385.490 -0.147 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000447252226 1073637771 /nfs/dbraw/zinc/63/77/71/1073637771.db2.gz XVQLBZBTUXXWQH-KGLIPLIRSA-N 1 0 385.490 -0.147 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000447252227 1073637913 /nfs/dbraw/zinc/63/79/13/1073637913.db2.gz XVQLBZBTUXXWQH-UONOGXRCSA-N 1 0 385.490 -0.147 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000447252228 1073637543 /nfs/dbraw/zinc/63/75/43/1073637543.db2.gz XVQLBZBTUXXWQH-ZIAGYGMSSA-N 1 0 385.490 -0.147 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000447253732 530396826 /nfs/dbraw/zinc/39/68/26/530396826.db2.gz BAAPLEKQAFSMIC-DOMZBBRYSA-N 1 0 389.499 -0.325 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000447253733 530396904 /nfs/dbraw/zinc/39/69/04/530396904.db2.gz BAAPLEKQAFSMIC-IUODEOHRSA-N 1 0 389.499 -0.325 20 0 GBADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000447253734 530396835 /nfs/dbraw/zinc/39/68/35/530396835.db2.gz BAAPLEKQAFSMIC-SWLSCSKDSA-N 1 0 389.499 -0.325 20 0 GBADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000447253735 530396936 /nfs/dbraw/zinc/39/69/36/530396936.db2.gz BAAPLEKQAFSMIC-WFASDCNBSA-N 1 0 389.499 -0.325 20 0 GBADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447255396 530396908 /nfs/dbraw/zinc/39/69/08/530396908.db2.gz JTAVGIZCYXPLEN-GFCCVEGCSA-N 1 0 377.488 -0.277 20 0 GBADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447255397 530396886 /nfs/dbraw/zinc/39/68/86/530396886.db2.gz JTAVGIZCYXPLEN-LBPRGKRZSA-N 1 0 377.488 -0.277 20 0 GBADRO CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000447294788 1073639497 /nfs/dbraw/zinc/63/94/97/1073639497.db2.gz KBOJYGCVJRPIOI-ACJLOTCBSA-N 1 0 381.477 0.066 20 0 GBADRO CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000447294792 1073639639 /nfs/dbraw/zinc/63/96/39/1073639639.db2.gz KBOJYGCVJRPIOI-FZKQIMNGSA-N 1 0 381.477 0.066 20 0 GBADRO CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000447294794 1073639506 /nfs/dbraw/zinc/63/95/06/1073639506.db2.gz KBOJYGCVJRPIOI-SCLBCKFNSA-N 1 0 381.477 0.066 20 0 GBADRO CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000447294795 1073639795 /nfs/dbraw/zinc/63/97/95/1073639795.db2.gz KBOJYGCVJRPIOI-UGSOOPFHSA-N 1 0 381.477 0.066 20 0 GBADRO O=C(NC1CC1)N[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000447295959 1073639570 /nfs/dbraw/zinc/63/95/70/1073639570.db2.gz NMUBGUDDFSWQNG-BJWYYQGGSA-N 1 0 394.520 -0.581 20 0 GBADRO O=C(NC1CC1)N[C@H]1CCN(CC(O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000447295963 1073639383 /nfs/dbraw/zinc/63/93/83/1073639383.db2.gz NMUBGUDDFSWQNG-HOTGVXAUSA-N 1 0 394.520 -0.581 20 0 GBADRO O=C(NC1CC1)N[C@@H]1CCN(CC(O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000447295964 1073639313 /nfs/dbraw/zinc/63/93/13/1073639313.db2.gz NMUBGUDDFSWQNG-HZPDHXFCSA-N 1 0 394.520 -0.581 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447297161 1073639336 /nfs/dbraw/zinc/63/93/36/1073639336.db2.gz URYYUVXJKKOUIK-UHFFFAOYSA-N 1 0 393.414 -0.152 20 0 GBADRO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 ZINC000447304492 1073639682 /nfs/dbraw/zinc/63/96/82/1073639682.db2.gz WBPHZUHPJQOSSL-CABCVRRESA-N 1 0 382.486 -0.194 20 0 GBADRO Cc1ccc(NC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 ZINC000447304494 1073639706 /nfs/dbraw/zinc/63/97/06/1073639706.db2.gz WBPHZUHPJQOSSL-GJZGRUSLSA-N 1 0 382.486 -0.194 20 0 GBADRO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 ZINC000447304496 1073639645 /nfs/dbraw/zinc/63/96/45/1073639645.db2.gz WBPHZUHPJQOSSL-HUUCEWRRSA-N 1 0 382.486 -0.194 20 0 GBADRO Cc1ccc(NC(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 ZINC000447304497 1073639762 /nfs/dbraw/zinc/63/97/62/1073639762.db2.gz WBPHZUHPJQOSSL-LSDHHAIUSA-N 1 0 382.486 -0.194 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C[C@H]2CO)cn1 ZINC000447319548 1073639720 /nfs/dbraw/zinc/63/97/20/1073639720.db2.gz YIWZFHREZNICNA-HOCLYGCPSA-N 1 0 395.423 0.174 20 0 GBADRO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000447416305 1073644828 /nfs/dbraw/zinc/64/48/28/1073644828.db2.gz GLWXCJNAFDZZNF-AWEZNQCLSA-N 1 0 388.476 -0.098 20 0 GBADRO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000447416308 1073644940 /nfs/dbraw/zinc/64/49/40/1073644940.db2.gz GLWXCJNAFDZZNF-CQSZACIVSA-N 1 0 388.476 -0.098 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000447434520 1073646703 /nfs/dbraw/zinc/64/67/03/1073646703.db2.gz HGMYJAWGCKSXAI-AWEZNQCLSA-N 1 0 383.470 -0.262 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000447434521 1073646739 /nfs/dbraw/zinc/64/67/39/1073646739.db2.gz HGMYJAWGCKSXAI-CQSZACIVSA-N 1 0 383.470 -0.262 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000447438392 1073646868 /nfs/dbraw/zinc/64/68/68/1073646868.db2.gz FHEYXIKYSHMMEZ-AWEZNQCLSA-N 1 0 385.490 -0.987 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000447438395 1073646836 /nfs/dbraw/zinc/64/68/36/1073646836.db2.gz FHEYXIKYSHMMEZ-CQSZACIVSA-N 1 0 385.490 -0.987 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000447444922 1073646010 /nfs/dbraw/zinc/64/60/10/1073646010.db2.gz YIULUOISVAPSAL-INIZCTEOSA-N 1 0 398.529 -0.219 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000447444923 1073645620 /nfs/dbraw/zinc/64/56/20/1073645620.db2.gz YIULUOISVAPSAL-MRXNPFEDSA-N 1 0 398.529 -0.219 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C)(C)S(=O)(=O)CC2)n1 ZINC000447469101 1073648485 /nfs/dbraw/zinc/64/84/85/1073648485.db2.gz HCSLPNJVAFPMLX-UHFFFAOYSA-N 1 0 385.490 -0.191 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000447481606 1073647748 /nfs/dbraw/zinc/64/77/48/1073647748.db2.gz ORLPBRYASRSFIO-CYBMUJFWSA-N 1 0 399.469 -0.346 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000447481607 1073647778 /nfs/dbraw/zinc/64/77/78/1073647778.db2.gz ORLPBRYASRSFIO-ZDUSSCGKSA-N 1 0 399.469 -0.346 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000447489544 530397268 /nfs/dbraw/zinc/39/72/68/530397268.db2.gz NFTYMMNANYLGSF-LLVKDONJSA-N 1 0 377.488 -0.251 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000447489549 530397341 /nfs/dbraw/zinc/39/73/41/530397341.db2.gz NFTYMMNANYLGSF-NSHDSACASA-N 1 0 377.488 -0.251 20 0 GBADRO COCCNS(=O)(=O)c1cc(NC(=O)[C@@H]2CN(C)CCO2)ccc1OC ZINC000447612612 1073650846 /nfs/dbraw/zinc/65/08/46/1073650846.db2.gz TVGOEAQNZASNGT-AWEZNQCLSA-N 1 0 387.458 -0.111 20 0 GBADRO COCCNS(=O)(=O)c1cc(NC(=O)[C@H]2CN(C)CCO2)ccc1OC ZINC000447612613 1073651180 /nfs/dbraw/zinc/65/11/80/1073651180.db2.gz TVGOEAQNZASNGT-CQSZACIVSA-N 1 0 387.458 -0.111 20 0 GBADRO O=C(NCCO)c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000447646669 1073655165 /nfs/dbraw/zinc/65/51/65/1073655165.db2.gz MIQFDHLXWYKAQB-UHFFFAOYSA-N 1 0 384.484 0.428 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000447750531 530397273 /nfs/dbraw/zinc/39/72/73/530397273.db2.gz KQKCCMSGSJNRAT-UHFFFAOYSA-N 1 0 398.595 -0.397 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000447750946 530397324 /nfs/dbraw/zinc/39/73/24/530397324.db2.gz OCWVBBUKYQOYSC-UHFFFAOYSA-N 1 0 385.552 -0.360 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447750983 530397259 /nfs/dbraw/zinc/39/72/59/530397259.db2.gz OKULCVBNMUOKCW-AWEZNQCLSA-N 1 0 384.568 -0.787 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447750984 530397185 /nfs/dbraw/zinc/39/71/85/530397185.db2.gz OKULCVBNMUOKCW-CQSZACIVSA-N 1 0 384.568 -0.787 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447757420 530397618 /nfs/dbraw/zinc/39/76/18/530397618.db2.gz INKDYBSGPJFXSF-AWEZNQCLSA-N 1 0 384.568 -0.787 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447757422 530397716 /nfs/dbraw/zinc/39/77/16/530397716.db2.gz INKDYBSGPJFXSF-CQSZACIVSA-N 1 0 384.568 -0.787 20 0 GBADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000447757764 1073656937 /nfs/dbraw/zinc/65/69/37/1073656937.db2.gz JQEVVWCADDSPHI-HOCLYGCPSA-N 1 0 398.529 -0.328 20 0 GBADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000447757768 1073656834 /nfs/dbraw/zinc/65/68/34/1073656834.db2.gz JQEVVWCADDSPHI-ZBFHGGJFSA-N 1 0 398.529 -0.328 20 0 GBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447759550 530397650 /nfs/dbraw/zinc/39/76/50/530397650.db2.gz SWYROGDVALXKPV-HNNXBMFYSA-N 1 0 398.595 -0.539 20 0 GBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447759551 530397797 /nfs/dbraw/zinc/39/77/97/530397797.db2.gz SWYROGDVALXKPV-OAHLLOKOSA-N 1 0 398.595 -0.539 20 0 GBADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)CCCO1 ZINC000447770673 530078141 /nfs/dbraw/zinc/07/81/41/530078141.db2.gz AKKNZCQXWBFEIY-AWEZNQCLSA-N 1 0 385.552 -0.312 20 0 GBADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)CCCO1 ZINC000447770674 530077873 /nfs/dbraw/zinc/07/78/73/530077873.db2.gz AKKNZCQXWBFEIY-CQSZACIVSA-N 1 0 385.552 -0.312 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447771683 530397699 /nfs/dbraw/zinc/39/76/99/530397699.db2.gz FKQRTLHWLSDUAO-AWEZNQCLSA-N 1 0 385.552 -0.720 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447771687 530397801 /nfs/dbraw/zinc/39/78/01/530397801.db2.gz FKQRTLHWLSDUAO-CQSZACIVSA-N 1 0 385.552 -0.720 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000447773614 530397625 /nfs/dbraw/zinc/39/76/25/530397625.db2.gz UONUAHQAIHVVBN-AWEZNQCLSA-N 1 0 385.552 -0.576 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000447773615 530397742 /nfs/dbraw/zinc/39/77/42/530397742.db2.gz UONUAHQAIHVVBN-CQSZACIVSA-N 1 0 385.552 -0.576 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000447787912 530398137 /nfs/dbraw/zinc/39/81/37/530398137.db2.gz PFKWLAQUQRACMQ-UHFFFAOYSA-N 1 0 398.595 -0.445 20 0 GBADRO 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1073668587 /nfs/dbraw/zinc/66/85/87/1073668587.db2.gz RLZSDAYLRFOTPD-QXSJWSMHSA-N 1 0 390.502 -0.689 20 0 GBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000447919866 1073669308 /nfs/dbraw/zinc/66/93/08/1073669308.db2.gz FXJVOLNTNQNJOO-DLBZAZTESA-N 1 0 397.497 -0.351 20 0 GBADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000447919867 1073669463 /nfs/dbraw/zinc/66/94/63/1073669463.db2.gz FXJVOLNTNQNJOO-IAGOWNOFSA-N 1 0 397.497 -0.351 20 0 GBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000447919868 1073669261 /nfs/dbraw/zinc/66/92/61/1073669261.db2.gz FXJVOLNTNQNJOO-IRXDYDNUSA-N 1 0 397.497 -0.351 20 0 GBADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000447919869 1073669527 /nfs/dbraw/zinc/66/95/27/1073669527.db2.gz FXJVOLNTNQNJOO-SJORKVTESA-N 1 0 397.497 -0.351 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447920450 1073669517 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/nfs/dbraw/zinc/66/95/72/1073669572.db2.gz LICNMCARUSGWAX-QZTJIDSGSA-N 1 0 391.468 -0.095 20 0 GBADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000447921630 1073669181 /nfs/dbraw/zinc/66/91/81/1073669181.db2.gz LICNMCARUSGWAX-ROUUACIJSA-N 1 0 391.468 -0.095 20 0 GBADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000447921631 1073669610 /nfs/dbraw/zinc/66/96/10/1073669610.db2.gz LICNMCARUSGWAX-ZWKOTPCHSA-N 1 0 391.468 -0.095 20 0 GBADRO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000447925116 1073671299 /nfs/dbraw/zinc/67/12/99/1073671299.db2.gz YBYMGOAGIHGRHQ-KRWDZBQOSA-N 1 0 388.468 -0.128 20 0 GBADRO COC(=O)[C@H]1CNC(=O)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000447925119 1073671421 /nfs/dbraw/zinc/67/14/21/1073671421.db2.gz YBYMGOAGIHGRHQ-QGZVFWFLSA-N 1 0 388.468 -0.128 20 0 GBADRO COCCNc1nc(NC[C@@]2(C)CCOC2)[nH+]c(NC[C@@]2(C)CCOC2)n1 ZINC000448125566 1072503269 /nfs/dbraw/zinc/50/32/69/1072503269.db2.gz MCGMVNVGMMIVDO-QZTJIDSGSA-N 1 0 380.493 -0.127 20 0 GBADRO COCCNc1nc(NC[C@]2(C)CCOC2)[nH+]c(NC[C@]2(C)CCOC2)n1 ZINC000448125567 1072503062 /nfs/dbraw/zinc/50/30/62/1072503062.db2.gz MCGMVNVGMMIVDO-ROUUACIJSA-N 1 0 380.493 -0.127 20 0 GBADRO COCCNc1nc(NCC2CCOCC2)[nH+]c(NCC2CCOCC2)n1 ZINC000448128760 1073679466 /nfs/dbraw/zinc/67/94/66/1073679466.db2.gz OWFDYCPKTLKRPH-UHFFFAOYSA-N 1 0 380.493 -0.127 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1cccnc1 ZINC000448200167 1073682467 /nfs/dbraw/zinc/68/24/67/1073682467.db2.gz OPCUJNWRQZMGAG-UHFFFAOYSA-N 1 0 385.490 -0.229 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448207709 1073682149 /nfs/dbraw/zinc/68/21/49/1073682149.db2.gz AGKORFLGZLQWSA-AWEZNQCLSA-N 1 0 384.506 -0.705 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448207710 1073682230 /nfs/dbraw/zinc/68/22/30/1073682230.db2.gz AGKORFLGZLQWSA-CQSZACIVSA-N 1 0 384.506 -0.705 20 0 GBADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)C[NH+]1CCN(C)CC1 ZINC000448211632 1073682451 /nfs/dbraw/zinc/68/24/51/1073682451.db2.gz HQGOABRVSPPJGS-HNNXBMFYSA-N 1 0 398.533 -0.457 20 0 GBADRO C[C@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)C[NH+]1CCN(C)CC1 ZINC000448211633 1073682005 /nfs/dbraw/zinc/68/20/05/1073682005.db2.gz HQGOABRVSPPJGS-OAHLLOKOSA-N 1 0 398.533 -0.457 20 0 GBADRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CCOCC1 ZINC000448219317 1073682426 /nfs/dbraw/zinc/68/24/26/1073682426.db2.gz XXFCUSBYPLFDDQ-UHFFFAOYSA-N 1 0 385.490 -0.230 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448221544 1072725846 /nfs/dbraw/zinc/72/58/46/1072725846.db2.gz ZXACRRMLWXRPAM-AWEZNQCLSA-N 1 0 385.490 -0.230 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448221545 1073682952 /nfs/dbraw/zinc/68/29/52/1073682952.db2.gz ZXACRRMLWXRPAM-CQSZACIVSA-N 1 0 385.490 -0.230 20 0 GBADRO COCC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448226539 1072747241 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387.440 -0.182 20 0 GBADRO COCCN(Cc1cncs1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448448501 1073692757 /nfs/dbraw/zinc/69/27/57/1073692757.db2.gz NBNPTHVEIWOTCA-UHFFFAOYSA-N 1 0 380.474 0.515 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448466948 1073692507 /nfs/dbraw/zinc/69/25/07/1073692507.db2.gz ORWCMEIOFKJIRM-UHFFFAOYSA-N 1 0 398.533 -0.315 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448468093 1073692631 /nfs/dbraw/zinc/69/26/31/1073692631.db2.gz SZPDAXFDFCSKMW-UHFFFAOYSA-N 1 0 399.517 -0.152 20 0 GBADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448476375 1073694140 /nfs/dbraw/zinc/69/41/40/1073694140.db2.gz AQGBVKLYCNRVEY-UHFFFAOYSA-N 1 0 392.504 0.146 20 0 GBADRO COC(=O)c1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)oc1C ZINC000448477630 1073694566 /nfs/dbraw/zinc/69/45/66/1073694566.db2.gz JNIHAECJJYSOPF-UHFFFAOYSA-N 1 0 377.401 0.388 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCc2ccc3c(c2)OCCO3)n1 ZINC000448477907 1073694418 /nfs/dbraw/zinc/69/44/18/1073694418.db2.gz LFNFHGKAXDSGHK-UHFFFAOYSA-N 1 0 387.440 0.513 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(-n3cncn3)cc2)n1 ZINC000448478148 1073694133 /nfs/dbraw/zinc/69/41/33/1073694133.db2.gz LEFSOENOUZPQMU-UHFFFAOYSA-N 1 0 382.428 0.280 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(O)cc3)CC2)n1 ZINC000448479201 1073694546 /nfs/dbraw/zinc/69/45/46/1073694546.db2.gz SKOFPQCVRMXCCZ-UHFFFAOYSA-N 1 0 386.456 0.438 20 0 GBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000448479272 1073694375 /nfs/dbraw/zinc/69/43/75/1073694375.db2.gz SVYJGRLKRVCZJH-MRXNPFEDSA-N 1 0 392.504 0.002 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000448481857 1073694941 /nfs/dbraw/zinc/69/49/41/1073694941.db2.gz RDJSOMCXFWWDOH-HNNXBMFYSA-N 1 0 390.488 0.148 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000448481858 1073695343 /nfs/dbraw/zinc/69/53/43/1073695343.db2.gz RDJSOMCXFWWDOH-OAHLLOKOSA-N 1 0 390.488 0.148 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000448484601 1073693634 /nfs/dbraw/zinc/69/36/34/1073693634.db2.gz SVRSXBPWPOHFFN-UHFFFAOYSA-N 1 0 398.467 0.368 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000448486823 1073693291 /nfs/dbraw/zinc/69/32/91/1073693291.db2.gz ZUHRKQXUMOMHLL-DLBZAZTESA-N 1 0 390.488 -0.103 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000448486824 1073693310 /nfs/dbraw/zinc/69/33/10/1073693310.db2.gz ZUHRKQXUMOMHLL-IAGOWNOFSA-N 1 0 390.488 -0.103 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000448486825 1073694355 /nfs/dbraw/zinc/69/43/55/1073694355.db2.gz ZUHRKQXUMOMHLL-IRXDYDNUSA-N 1 0 390.488 -0.103 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000448486826 1073694424 /nfs/dbraw/zinc/69/44/24/1073694424.db2.gz ZUHRKQXUMOMHLL-SJORKVTESA-N 1 0 390.488 -0.103 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCOc2ccc3c(c2)OCO3)n1 ZINC000448488319 1073694476 /nfs/dbraw/zinc/69/44/76/1073694476.db2.gz AQZDFJMSAXCGSX-UHFFFAOYSA-N 1 0 389.412 0.307 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448491176 1073694462 /nfs/dbraw/zinc/69/44/62/1073694462.db2.gz SQAHKKGVNWGLQN-OAHLLOKOSA-N 1 0 380.493 0.000 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3cscn3)CC2)n1 ZINC000448491742 1073694504 /nfs/dbraw/zinc/69/45/04/1073694504.db2.gz JEJMJZOJFKZQPR-UHFFFAOYSA-N 1 0 391.501 0.184 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000448491959 1073694260 /nfs/dbraw/zinc/69/42/60/1073694260.db2.gz XIOYECYUAVSKIK-UHFFFAOYSA-N 1 0 388.428 -0.039 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)n1 ZINC000448495702 1073694342 /nfs/dbraw/zinc/69/43/42/1073694342.db2.gz LGBIBOYTSWZLKZ-UHFFFAOYSA-N 1 0 398.423 -0.204 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)n1 ZINC000448495886 1073694485 /nfs/dbraw/zinc/69/44/85/1073694485.db2.gz MDBCUQBNNUBZEY-UHFFFAOYSA-N 1 0 393.469 -0.027 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000448495914 1073694303 /nfs/dbraw/zinc/69/43/03/1073694303.db2.gz MJDHDZPLNIEBPQ-UHFFFAOYSA-N 1 0 399.455 -0.237 20 0 GBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)NCc1ccccc1 ZINC000448496487 1073695078 /nfs/dbraw/zinc/69/50/78/1073695078.db2.gz PTLKHHZNYBDCRB-CQSZACIVSA-N 1 0 386.456 0.204 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)n1 ZINC000448496571 1073695302 /nfs/dbraw/zinc/69/53/02/1073695302.db2.gz RBWWKDZVURWDQW-UHFFFAOYSA-N 1 0 376.383 0.090 20 0 GBADRO Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448498304 1073695332 /nfs/dbraw/zinc/69/53/32/1073695332.db2.gz GCLHIGQODBZZEF-HNNXBMFYSA-N 1 0 389.456 0.248 20 0 GBADRO Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448498307 1073695088 /nfs/dbraw/zinc/69/50/88/1073695088.db2.gz GCLHIGQODBZZEF-OAHLLOKOSA-N 1 0 389.456 0.248 20 0 GBADRO Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448498572 1073695106 /nfs/dbraw/zinc/69/51/06/1073695106.db2.gz HGPHYTBEXVXFFE-UHFFFAOYSA-N 1 0 386.456 0.238 20 0 GBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448499574 1073696297 /nfs/dbraw/zinc/69/62/97/1073696297.db2.gz SDBQIRQBICJQRO-UHFFFAOYSA-N 1 0 386.456 0.158 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000448502867 1073696145 /nfs/dbraw/zinc/69/61/45/1073696145.db2.gz HKMYTDPBUFORHW-UHFFFAOYSA-N 1 0 376.461 -0.098 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 ZINC000448503159 1073696242 /nfs/dbraw/zinc/69/62/42/1073696242.db2.gz BHGOYSLFYYSUKD-AWEZNQCLSA-N 1 0 393.419 0.078 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 ZINC000448503162 1073696254 /nfs/dbraw/zinc/69/62/54/1073696254.db2.gz BHGOYSLFYYSUKD-CQSZACIVSA-N 1 0 393.419 0.078 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC(=O)NC2CCCCC2)n1 ZINC000448504439 1073695996 /nfs/dbraw/zinc/69/59/96/1073695996.db2.gz REYASOSTAWUGAF-UHFFFAOYSA-N 1 0 378.477 0.338 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)n1 ZINC000448505355 1073696278 /nfs/dbraw/zinc/69/62/78/1073696278.db2.gz NRPVUCBQUSGABR-UHFFFAOYSA-N 1 0 388.428 -0.365 20 0 GBADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000448505769 1073695895 /nfs/dbraw/zinc/69/58/95/1073695895.db2.gz QDURDJOYHNZBJA-UHFFFAOYSA-N 1 0 392.504 -0.046 20 0 GBADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000448507715 1073696269 /nfs/dbraw/zinc/69/62/69/1073696269.db2.gz KTEYYRBQVHATHA-UHFFFAOYSA-N 1 0 392.504 -0.046 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000448508561 1073696232 /nfs/dbraw/zinc/69/62/32/1073696232.db2.gz URYISCNBEQOUPR-AWEZNQCLSA-N 1 0 386.460 -0.042 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000448508562 1073696211 /nfs/dbraw/zinc/69/62/11/1073696211.db2.gz URYISCNBEQOUPR-CQSZACIVSA-N 1 0 386.460 -0.042 20 0 GBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)NCc1ccco1 ZINC000448509372 1073695362 /nfs/dbraw/zinc/69/53/62/1073695362.db2.gz CVEMZQODEVBVAL-GFCCVEGCSA-N 1 0 376.417 -0.203 20 0 GBADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)NCc1ccco1 ZINC000448509373 1073695350 /nfs/dbraw/zinc/69/53/50/1073695350.db2.gz CVEMZQODEVBVAL-LBPRGKRZSA-N 1 0 376.417 -0.203 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N=c1ccn(CCN2CCOCC2)[nH]1 ZINC000448510336 1072248021 /nfs/dbraw/zinc/24/80/21/1072248021.db2.gz OJRLKDNXPDIEAY-HNNXBMFYSA-N 1 0 380.493 -0.578 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N=c1ccn(CCN2CCOCC2)[nH]1 ZINC000448510337 1072248340 /nfs/dbraw/zinc/24/83/40/1072248340.db2.gz OJRLKDNXPDIEAY-OAHLLOKOSA-N 1 0 380.493 -0.578 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448523127 1073697458 /nfs/dbraw/zinc/69/74/58/1073697458.db2.gz XFILALJCMCYDFR-HNNXBMFYSA-N 1 0 399.517 -0.248 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448523128 1073697288 /nfs/dbraw/zinc/69/72/88/1073697288.db2.gz XFILALJCMCYDFR-OAHLLOKOSA-N 1 0 399.517 -0.248 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccnc1)NCC1CC[NH+](CCO)CC1 ZINC000448523292 1073696838 /nfs/dbraw/zinc/69/68/38/1073696838.db2.gz XSUKDZUYMBDRQZ-UHFFFAOYSA-N 1 0 385.490 -0.637 20 0 GBADRO COC(=O)C1(CN2CC[N@H+](CC3(C(=O)OC)CC3)C[C@H]2C(=O)N(C)C)CC1 ZINC000448524692 1073697302 /nfs/dbraw/zinc/69/73/02/1073697302.db2.gz KITZUDXHFZYXLA-AWEZNQCLSA-N 1 0 381.473 -0.033 20 0 GBADRO COC(=O)C1(CN2CC[N@H+](CC3(C(=O)OC)CC3)C[C@@H]2C(=O)N(C)C)CC1 ZINC000448524693 1073696915 /nfs/dbraw/zinc/69/69/15/1073696915.db2.gz KITZUDXHFZYXLA-CQSZACIVSA-N 1 0 381.473 -0.033 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000448528828 1073697164 /nfs/dbraw/zinc/69/71/64/1073697164.db2.gz KGGDOPSSGGKPRX-HNNXBMFYSA-N 1 0 384.440 -0.042 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000448528829 1073697371 /nfs/dbraw/zinc/69/73/71/1073697371.db2.gz KGGDOPSSGGKPRX-OAHLLOKOSA-N 1 0 384.440 -0.042 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2CCCCCC2=O)n1 ZINC000448532199 1073696995 /nfs/dbraw/zinc/69/69/95/1073696995.db2.gz XMHJZYXYFWRUOS-UHFFFAOYSA-N 1 0 378.477 0.292 20 0 GBADRO C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000448532224 1073696870 /nfs/dbraw/zinc/69/68/70/1073696870.db2.gz XUYFKPGSSFLVJR-GJZGRUSLSA-N 1 0 394.520 0.387 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCC1 ZINC000448533032 1073696968 /nfs/dbraw/zinc/69/69/68/1073696968.db2.gz RNBXRRXLAKEZFU-UHFFFAOYSA-N 1 0 392.504 0.144 20 0 GBADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000448535320 1073698510 /nfs/dbraw/zinc/69/85/10/1073698510.db2.gz RYIGQNRDDRTHDK-UHFFFAOYSA-N 1 0 378.477 -0.244 20 0 GBADRO C[C@@H]1CN([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000448553569 1073698480 /nfs/dbraw/zinc/69/84/80/1073698480.db2.gz COEXZWGYZVGRNV-TYNCELHUSA-N 1 0 380.470 -0.010 20 0 GBADRO C[C@@H]1CN([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000448553576 1073698204 /nfs/dbraw/zinc/69/82/04/1073698204.db2.gz COEXZWGYZVGRNV-ZOWXZIJZSA-N 1 0 380.470 -0.010 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)NC)cc1 ZINC000448560657 1073698352 /nfs/dbraw/zinc/69/83/52/1073698352.db2.gz IQNVHROCFHQQLW-UHFFFAOYSA-N 1 0 385.490 -0.250 20 0 GBADRO Cn1c2sc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc2c(=O)n(C)c1=O ZINC000448600058 1073700021 /nfs/dbraw/zinc/70/00/21/1073700021.db2.gz BZGZRLZTVHFTKY-UHFFFAOYSA-N 1 0 379.486 -0.382 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000448601136 1073700174 /nfs/dbraw/zinc/70/01/74/1073700174.db2.gz POBHUUIKANYJGQ-UHFFFAOYSA-N 1 0 389.460 0.088 20 0 GBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCN(CC[NH+](C)C)CC3)CC2=O)cn1 ZINC000448601713 1073700104 /nfs/dbraw/zinc/70/01/04/1073700104.db2.gz WQAIBQYFVCIDGT-INIZCTEOSA-N 1 0 392.504 -0.412 20 0 GBADRO COCCn1cc(N2C[C@H](C(=O)N3CCN(CC[NH+](C)C)CC3)CC2=O)cn1 ZINC000448601714 1073700500 /nfs/dbraw/zinc/70/05/00/1073700500.db2.gz WQAIBQYFVCIDGT-MRXNPFEDSA-N 1 0 392.504 -0.412 20 0 GBADRO Cc1nnnn1-c1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(F)c1 ZINC000448685245 1073702427 /nfs/dbraw/zinc/70/24/27/1073702427.db2.gz VMNPPNROEZRXIR-UHFFFAOYSA-N 1 0 375.408 -0.044 20 0 GBADRO CNS(=O)(=O)NCC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000448687278 1073702648 /nfs/dbraw/zinc/70/26/48/1073702648.db2.gz RBAVCFQVPMITJW-KBPBESRZSA-N 1 0 384.502 -0.034 20 0 GBADRO CNS(=O)(=O)NCC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000448687279 1073702485 /nfs/dbraw/zinc/70/24/85/1073702485.db2.gz RBAVCFQVPMITJW-OKILXGFUSA-N 1 0 384.502 -0.034 20 0 GBADRO CNS(=O)(=O)NCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000448687280 1073702591 /nfs/dbraw/zinc/70/25/91/1073702591.db2.gz RBAVCFQVPMITJW-ZIAGYGMSSA-N 1 0 384.502 -0.034 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CNS(=O)(=O)NC)c1 ZINC000448716622 1073702234 /nfs/dbraw/zinc/70/22/34/1073702234.db2.gz XTXITSVSADGFBS-UHFFFAOYSA-N 1 0 385.490 -0.250 20 0 GBADRO CNS(=O)(=O)NCC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000448911749 1073706607 /nfs/dbraw/zinc/70/66/07/1073706607.db2.gz RBXKBPIYLZVGAR-UHFFFAOYSA-N 1 0 383.518 -0.684 20 0 GBADRO Cn1c2sc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2c(=O)n(C)c1=O ZINC000448934914 1073707914 /nfs/dbraw/zinc/70/79/14/1073707914.db2.gz XTQSACCPFSRSTJ-LLVKDONJSA-N 1 0 393.469 -0.632 20 0 GBADRO Cn1c2sc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2c(=O)n(C)c1=O ZINC000448934918 1073707677 /nfs/dbraw/zinc/70/76/77/1073707677.db2.gz XTQSACCPFSRSTJ-NSHDSACASA-N 1 0 393.469 -0.632 20 0 GBADRO CNS(=O)(=O)NCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000448955479 1073707953 /nfs/dbraw/zinc/70/79/53/1073707953.db2.gz XJEGUTLBFCLUIY-UHFFFAOYSA-N 1 0 397.501 -0.818 20 0 GBADRO CNS(=O)(=O)NCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000448960963 1073708922 /nfs/dbraw/zinc/70/89/22/1073708922.db2.gz 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380.470 -0.056 20 0 GBADRO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000449750937 1073725654 /nfs/dbraw/zinc/72/56/54/1073725654.db2.gz KGCGVPGEEQCIMH-SMDDNHRTSA-N 1 0 380.470 -0.056 20 0 GBADRO CNS(=O)(=O)NCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000449960478 1073729517 /nfs/dbraw/zinc/72/95/17/1073729517.db2.gz QKMMHOHKRGBSBH-UHFFFAOYSA-N 1 0 399.517 -0.671 20 0 GBADRO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000449961808 1073729236 /nfs/dbraw/zinc/72/92/36/1073729236.db2.gz RHUSALZNZPKPRR-UHFFFAOYSA-N 1 0 388.465 -0.161 20 0 GBADRO Cn1c2sc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2c(=O)n(C)c1=O ZINC000450230607 1073736808 /nfs/dbraw/zinc/73/68/08/1073736808.db2.gz HEDQRWKSZVPFRI-LLVKDONJSA-N 1 0 380.470 -0.125 20 0 GBADRO Cn1c2sc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2c(=O)n(C)c1=O ZINC000450230615 1073736919 /nfs/dbraw/zinc/73/69/19/1073736919.db2.gz HEDQRWKSZVPFRI-NSHDSACASA-N 1 0 380.470 -0.125 20 0 GBADRO 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CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000452793201 1073812158 /nfs/dbraw/zinc/81/21/58/1073812158.db2.gz HFIGPRQVGGTEOC-INIZCTEOSA-N 1 0 399.513 -0.124 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000452793202 1073812255 /nfs/dbraw/zinc/81/22/55/1073812255.db2.gz HFIGPRQVGGTEOC-MRXNPFEDSA-N 1 0 399.513 -0.124 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452794396 1073812851 /nfs/dbraw/zinc/81/28/51/1073812851.db2.gz GYDABADSUXBEBG-MSOLQXFVSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452794397 1073812938 /nfs/dbraw/zinc/81/29/38/1073812938.db2.gz GYDABADSUXBEBG-QZTJIDSGSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452794398 1073812462 /nfs/dbraw/zinc/81/24/62/1073812462.db2.gz GYDABADSUXBEBG-ROUUACIJSA-N 1 0 396.532 -0.337 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452794399 1073812608 /nfs/dbraw/zinc/81/26/08/1073812608.db2.gz GYDABADSUXBEBG-ZWKOTPCHSA-N 1 0 396.532 -0.337 20 0 GBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452801582 1073812024 /nfs/dbraw/zinc/81/20/24/1073812024.db2.gz TYNCBTPSMRONBB-KBXCAEBGSA-N 1 0 396.488 -0.435 20 0 GBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452801583 1073812576 /nfs/dbraw/zinc/81/25/76/1073812576.db2.gz TYNCBTPSMRONBB-KDOFPFPSSA-N 1 0 396.488 -0.435 20 0 GBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452801584 1073812809 /nfs/dbraw/zinc/81/28/09/1073812809.db2.gz TYNCBTPSMRONBB-KSSFIOAISA-N 1 0 396.488 -0.435 20 0 GBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452801585 1073812755 /nfs/dbraw/zinc/81/27/55/1073812755.db2.gz TYNCBTPSMRONBB-RDTXWAMCSA-N 1 0 396.488 -0.435 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3ncnn3c2)CC1 ZINC000453633807 1073829218 /nfs/dbraw/zinc/82/92/18/1073829218.db2.gz JGFZHXHVYARSHH-UHFFFAOYSA-N 1 0 387.444 -0.320 20 0 GBADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)ccc21 ZINC000453771201 1073834021 /nfs/dbraw/zinc/83/40/21/1073834021.db2.gz UEXFBHDQMMCPJI-GDBMZVCRSA-N 1 0 399.451 -0.657 20 0 GBADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)ccc21 ZINC000453771204 1073834090 /nfs/dbraw/zinc/83/40/90/1073834090.db2.gz UEXFBHDQMMCPJI-GOEBONIOSA-N 1 0 399.451 -0.657 20 0 GBADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)ccc21 ZINC000453771206 1073833663 /nfs/dbraw/zinc/83/36/63/1073833663.db2.gz UEXFBHDQMMCPJI-HOCLYGCPSA-N 1 0 399.451 -0.657 20 0 GBADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)ccc21 ZINC000453771208 1073834211 /nfs/dbraw/zinc/83/42/11/1073834211.db2.gz UEXFBHDQMMCPJI-ZBFHGGJFSA-N 1 0 399.451 -0.657 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC12COC2 ZINC000453802236 1073835774 /nfs/dbraw/zinc/83/57/74/1073835774.db2.gz NBILGCMHMCSGNT-AWEZNQCLSA-N 1 0 399.407 0.244 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC12COC2 ZINC000453802312 1073835878 /nfs/dbraw/zinc/83/58/78/1073835878.db2.gz NBILGCMHMCSGNT-CQSZACIVSA-N 1 0 399.407 0.244 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)S(N)(=O)=O ZINC000453903941 1073837854 /nfs/dbraw/zinc/83/78/54/1073837854.db2.gz RQTXJGARWCPDKK-AWEZNQCLSA-N 1 0 396.513 -0.050 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)S(N)(=O)=O ZINC000453903953 1073837974 /nfs/dbraw/zinc/83/79/74/1073837974.db2.gz RQTXJGARWCPDKK-CQSZACIVSA-N 1 0 396.513 -0.050 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1F ZINC000453911419 1073839324 /nfs/dbraw/zinc/83/93/24/1073839324.db2.gz COAPTDVGXORMEN-GXFFZTMASA-N 1 0 384.433 -0.165 20 0 GBADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C[C@@H]21 ZINC000453914028 1073839872 /nfs/dbraw/zinc/83/98/72/1073839872.db2.gz HNAGMUAWYCUHIG-WBVHZDCISA-N 1 0 385.468 -0.281 20 0 GBADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000453917142 1073842103 /nfs/dbraw/zinc/84/21/03/1073842103.db2.gz LTVHUWMWZHISRV-IYBDPMFKSA-N 1 0 384.436 -0.006 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC(=O)N1 ZINC000453919684 1073851181 /nfs/dbraw/zinc/85/11/81/1073851181.db2.gz LASQRRPTRTUKFC-GFCCVEGCSA-N 1 0 375.429 -0.138 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC(=O)N1 ZINC000453919686 1073852155 /nfs/dbraw/zinc/85/21/55/1073852155.db2.gz LASQRRPTRTUKFC-LBPRGKRZSA-N 1 0 375.429 -0.138 20 0 GBADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000453920028 1073854961 /nfs/dbraw/zinc/85/49/61/1073854961.db2.gz RCQZQTICTXCVOG-IYBDPMFKSA-N 1 0 384.436 -0.006 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000453925038 1073860482 /nfs/dbraw/zinc/86/04/82/1073860482.db2.gz BXEWWFRUOXWDDH-BETUJISGSA-N 1 0 398.485 -0.506 20 0 GBADRO COCCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cn1 ZINC000453925058 1073860521 /nfs/dbraw/zinc/86/05/21/1073860521.db2.gz BZQVLCZJOMGSAJ-OKILXGFUSA-N 1 0 380.445 -0.041 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1S(N)(=O)=O ZINC000453925606 1073866109 /nfs/dbraw/zinc/86/61/09/1073866109.db2.gz YYXCADYJPYHJNA-GXTWGEPZSA-N 1 0 380.470 -0.003 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H](C)N1CCO ZINC000453931352 1073884316 /nfs/dbraw/zinc/88/43/16/1073884316.db2.gz JNDJWMPODLHZDQ-TXEJJXNPSA-N 1 0 392.431 -0.036 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)N1CCO ZINC000453933909 1073884716 /nfs/dbraw/zinc/88/47/16/1073884716.db2.gz LVFGZAWHVIEYNE-BETUJISGSA-N 1 0 390.440 -0.106 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000453933933 1073884642 /nfs/dbraw/zinc/88/46/42/1073884642.db2.gz LXVVQNLLIXZPDH-BETUJISGSA-N 1 0 398.485 -0.553 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)S(N)(=O)=O ZINC000453948776 1073893751 /nfs/dbraw/zinc/89/37/51/1073893751.db2.gz JICSQDXXOQKKJJ-CABCVRRESA-N 1 0 396.513 -0.240 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)S(N)(=O)=O ZINC000453948781 1073893326 /nfs/dbraw/zinc/89/33/26/1073893326.db2.gz JICSQDXXOQKKJJ-GJZGRUSLSA-N 1 0 396.513 -0.240 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)S(N)(=O)=O ZINC000453948785 1073893251 /nfs/dbraw/zinc/89/32/51/1073893251.db2.gz JICSQDXXOQKKJJ-HUUCEWRRSA-N 1 0 396.513 -0.240 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)S(N)(=O)=O ZINC000453948789 1073893127 /nfs/dbraw/zinc/89/31/27/1073893127.db2.gz JICSQDXXOQKKJJ-LSDHHAIUSA-N 1 0 396.513 -0.240 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)c2)CC1 ZINC000453963962 1073905450 /nfs/dbraw/zinc/90/54/50/1073905450.db2.gz FSJVFHAYYOGGOV-IAGOWNOFSA-N 1 0 376.457 -0.015 20 0 GBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)cc2)CC1 ZINC000453971723 1073916427 /nfs/dbraw/zinc/91/64/27/1073916427.db2.gz SXQDSTMCXFYUGN-QZTJIDSGSA-N 1 0 390.484 -0.019 20 0 GBADRO CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C[C@H]1O ZINC000453972644 1073918260 /nfs/dbraw/zinc/91/82/60/1073918260.db2.gz UKRVDJHEJLPQPD-IAGOWNOFSA-N 1 0 377.441 -0.282 20 0 GBADRO CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973856 1073918214 /nfs/dbraw/zinc/91/82/14/1073918214.db2.gz MPADSWDVPDXAKY-HNNXBMFYSA-N 1 0 389.456 -0.217 20 0 GBADRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000453973868 1073918173 /nfs/dbraw/zinc/91/81/73/1073918173.db2.gz MPADSWDVPDXAKY-OAHLLOKOSA-N 1 0 389.456 -0.217 20 0 GBADRO CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974785 1073918350 /nfs/dbraw/zinc/91/83/50/1073918350.db2.gz NDTOHLDGKALZMA-HNNXBMFYSA-N 1 0 394.476 -0.473 20 0 GBADRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000453974786 1073918463 /nfs/dbraw/zinc/91/84/63/1073918463.db2.gz NDTOHLDGKALZMA-OAHLLOKOSA-N 1 0 394.476 -0.473 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3COC[C@H]3O)c(C)c2)CC1 ZINC000453982033 1073918877 /nfs/dbraw/zinc/91/88/77/1073918877.db2.gz UNTIZANDNFEPFO-IAGOWNOFSA-N 1 0 376.457 -0.049 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H](C)[N@H+]1CCO ZINC000456232229 530404644 /nfs/dbraw/zinc/40/46/44/530404644.db2.gz VYRKGLIBKCCQQL-AOOOYVTPSA-N 1 0 389.250 -0.375 20 0 GBADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000456373430 530404732 /nfs/dbraw/zinc/40/47/32/530404732.db2.gz INROULDFKPIEAN-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000456373435 530404784 /nfs/dbraw/zinc/40/47/84/530404784.db2.gz INROULDFKPIEAN-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[C@H](C)[NH+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000456533331 530404477 /nfs/dbraw/zinc/40/44/77/530404477.db2.gz QYTWXZNVFNZELR-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[C@@H](C)[NH+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000456533332 530404685 /nfs/dbraw/zinc/40/46/85/530404685.db2.gz QYTWXZNVFNZELR-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457049023 530404579 /nfs/dbraw/zinc/40/45/79/530404579.db2.gz FGYTWWZPEQYQJV-UHFFFAOYSA-N 1 0 376.523 -0.189 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457051590 530404775 /nfs/dbraw/zinc/40/47/75/530404775.db2.gz MSYKQMLPJYDIFS-UHFFFAOYSA-N 1 0 376.523 -0.189 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457139315 530404813 /nfs/dbraw/zinc/40/48/13/530404813.db2.gz XXHJXLYWCWVWLX-AWEZNQCLSA-N 1 0 376.523 -0.238 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457139316 530404392 /nfs/dbraw/zinc/40/43/92/530404392.db2.gz XXHJXLYWCWVWLX-CQSZACIVSA-N 1 0 376.523 -0.238 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 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CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470088491 530415721 /nfs/dbraw/zinc/41/57/21/530415721.db2.gz SKVZUBNKEYQFMJ-ZIAGYGMSSA-N 1 0 381.564 -0.038 20 0 GBADRO CCC[C@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000470195817 530415471 /nfs/dbraw/zinc/41/54/71/530415471.db2.gz QXZKKRMOEDEUMQ-HNNXBMFYSA-N 1 0 398.595 -0.349 20 0 GBADRO CCC[C@@H]1CN(CCCS(=O)(=O)NC)CC[N@@H+]1CCCS(=O)(=O)NC ZINC000470195818 530415418 /nfs/dbraw/zinc/41/54/18/530415418.db2.gz QXZKKRMOEDEUMQ-OAHLLOKOSA-N 1 0 398.595 -0.349 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000470373665 530416095 /nfs/dbraw/zinc/41/60/95/530416095.db2.gz FQYKHYKXSQCKNQ-HNNXBMFYSA-N 1 0 376.523 -0.867 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000470373666 530415973 /nfs/dbraw/zinc/41/59/73/530415973.db2.gz FQYKHYKXSQCKNQ-OAHLLOKOSA-N 1 0 376.523 -0.867 20 0 GBADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470531329 530415883 /nfs/dbraw/zinc/41/58/83/530415883.db2.gz TUCWYXISEMRZDV-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470531330 530415939 /nfs/dbraw/zinc/41/59/39/530415939.db2.gz TUCWYXISEMRZDV-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470546449 530415960 /nfs/dbraw/zinc/41/59/60/530415960.db2.gz LUZYCCXGUWFZSK-AWEZNQCLSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000470546450 530415763 /nfs/dbraw/zinc/41/57/63/530415763.db2.gz LUZYCCXGUWFZSK-CQSZACIVSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC ZINC000470589930 530415821 /nfs/dbraw/zinc/41/58/21/530415821.db2.gz DFGLGRBZBQYCDT-UHFFFAOYSA-N 1 0 375.447 -0.605 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000470590602 530416104 /nfs/dbraw/zinc/41/61/04/530416104.db2.gz IVGYGXBKGCWIGD-UHFFFAOYSA-N 1 0 391.515 -0.187 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000470898953 530416290 /nfs/dbraw/zinc/41/62/90/530416290.db2.gz UOISIQDLWMMHOE-UHFFFAOYSA-N 1 0 376.504 -0.006 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000471154282 530416943 /nfs/dbraw/zinc/41/69/43/530416943.db2.gz ODVMCXNWBIFRMS-CYBMUJFWSA-N 1 0 390.487 -0.585 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000471154283 530416988 /nfs/dbraw/zinc/41/69/88/530416988.db2.gz ODVMCXNWBIFRMS-ZDUSSCGKSA-N 1 0 390.487 -0.585 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000471180458 1072197533 /nfs/dbraw/zinc/19/75/33/1072197533.db2.gz DSSRFHZZEKCESO-UHFFFAOYSA-N 1 0 391.520 -0.303 20 0 GBADRO CCOC(=O)C1(O)CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000471182928 1072210132 /nfs/dbraw/zinc/21/01/32/1072210132.db2.gz OZADCBUYDXRMAD-INIZCTEOSA-N 1 0 385.505 -0.151 20 0 GBADRO CCOC(=O)C1(O)CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000471182938 1072209991 /nfs/dbraw/zinc/20/99/91/1072209991.db2.gz OZADCBUYDXRMAD-MRXNPFEDSA-N 1 0 385.505 -0.151 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[NH+](C)C ZINC000471219640 530416957 /nfs/dbraw/zinc/41/69/57/530416957.db2.gz SOAKJZJXFBUWLB-OAHLLOKOSA-N 1 0 375.539 -0.791 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000471223788 1072235696 /nfs/dbraw/zinc/23/56/96/1072235696.db2.gz JEUUYABKXIHLMG-UHFFFAOYSA-N 1 0 394.476 -0.519 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000471224537 1072235845 /nfs/dbraw/zinc/23/58/45/1072235845.db2.gz PTRNKYFLNXDTFT-UHFFFAOYSA-N 1 0 377.445 -0.360 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+](C)C ZINC000471225650 1072236468 /nfs/dbraw/zinc/23/64/68/1072236468.db2.gz HHECBUFHQMVVIT-CQSZACIVSA-N 1 0 386.474 -0.202 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000471230273 1072238583 /nfs/dbraw/zinc/23/85/83/1072238583.db2.gz NUIWXGGTXHUUFO-UHFFFAOYSA-N 1 0 380.493 -0.046 20 0 GBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000471315157 1072291213 /nfs/dbraw/zinc/29/12/13/1072291213.db2.gz DDZTYDOTEPFSSZ-DLBZAZTESA-N 1 0 381.498 -0.336 20 0 GBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000471315158 1072291292 /nfs/dbraw/zinc/29/12/92/1072291292.db2.gz DDZTYDOTEPFSSZ-IAGOWNOFSA-N 1 0 381.498 -0.336 20 0 GBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000471315159 1072291503 /nfs/dbraw/zinc/29/15/03/1072291503.db2.gz DDZTYDOTEPFSSZ-IRXDYDNUSA-N 1 0 381.498 -0.336 20 0 GBADRO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000471315160 1072291469 /nfs/dbraw/zinc/29/14/69/1072291469.db2.gz DDZTYDOTEPFSSZ-SJORKVTESA-N 1 0 381.498 -0.336 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000471456380 1072336336 /nfs/dbraw/zinc/33/63/36/1072336336.db2.gz AENXMBWDOUCZRU-CABCVRRESA-N 1 0 397.520 -0.055 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000471456381 1072336265 /nfs/dbraw/zinc/33/62/65/1072336265.db2.gz AENXMBWDOUCZRU-GJZGRUSLSA-N 1 0 397.520 -0.055 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000471456382 1072336064 /nfs/dbraw/zinc/33/60/64/1072336064.db2.gz AENXMBWDOUCZRU-HUUCEWRRSA-N 1 0 397.520 -0.055 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000471456383 1072336708 /nfs/dbraw/zinc/33/67/08/1072336708.db2.gz AENXMBWDOUCZRU-LSDHHAIUSA-N 1 0 397.520 -0.055 20 0 GBADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471457303 1072337780 /nfs/dbraw/zinc/33/77/80/1072337780.db2.gz DUIRMGGCJCIENA-GFCCVEGCSA-N 1 0 384.458 -0.812 20 0 GBADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471457304 1072337468 /nfs/dbraw/zinc/33/74/68/1072337468.db2.gz DUIRMGGCJCIENA-LBPRGKRZSA-N 1 0 384.458 -0.812 20 0 GBADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000471468698 1072347739 /nfs/dbraw/zinc/34/77/39/1072347739.db2.gz YFIOSHWNIYMXQC-BXWFABGCSA-N 1 0 376.457 -0.045 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000471468699 1072347951 /nfs/dbraw/zinc/34/79/51/1072347951.db2.gz YFIOSHWNIYMXQC-GJYPPUQNSA-N 1 0 376.457 -0.045 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000471468700 1072347853 /nfs/dbraw/zinc/34/78/53/1072347853.db2.gz YFIOSHWNIYMXQC-JTDSTZFVSA-N 1 0 376.457 -0.045 20 0 GBADRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000471468701 1072347872 /nfs/dbraw/zinc/34/78/72/1072347872.db2.gz YFIOSHWNIYMXQC-TXPKVOOTSA-N 1 0 376.457 -0.045 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000471541779 530416859 /nfs/dbraw/zinc/41/68/59/530416859.db2.gz RBHIFXQWWVHATB-UHFFFAOYSA-N 1 0 376.523 -0.196 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000471554145 1072443300 /nfs/dbraw/zinc/44/33/00/1072443300.db2.gz DLTKBYWLLGJEAL-UHFFFAOYSA-N 1 0 389.478 -0.808 20 0 GBADRO C[NH+]1CCN(CCNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000471629405 1072515521 /nfs/dbraw/zinc/51/55/21/1072515521.db2.gz PIVRFCNIEBAKIQ-INIZCTEOSA-N 1 0 390.406 -0.018 20 0 GBADRO C[NH+]1CCN(CCNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000471629408 1072515385 /nfs/dbraw/zinc/51/53/85/1072515385.db2.gz PIVRFCNIEBAKIQ-MRXNPFEDSA-N 1 0 390.406 -0.018 20 0 GBADRO C[NH+](C)CCOCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000471638211 1072536720 /nfs/dbraw/zinc/53/67/20/1072536720.db2.gz RCJOFNUEJQGTPO-UHFFFAOYSA-N 1 0 389.478 -0.590 20 0 GBADRO C[NH+](C)CCOCCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000471641116 1072550669 /nfs/dbraw/zinc/55/06/69/1072550669.db2.gz DKNXCRWBIFUJCJ-UHFFFAOYSA-N 1 0 391.472 -0.364 20 0 GBADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000471642737 530416790 /nfs/dbraw/zinc/41/67/90/530416790.db2.gz DLASFVRQJJBRCL-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCCOCC[NH+](C)C)cn1 ZINC000471643478 1072560691 /nfs/dbraw/zinc/56/06/91/1072560691.db2.gz IURVIQQCCYRXRT-HNNXBMFYSA-N 1 0 387.506 -0.038 20 0 GBADRO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCCOCC[NH+](C)C)cn1 ZINC000471643482 1072560725 /nfs/dbraw/zinc/56/07/25/1072560725.db2.gz IURVIQQCCYRXRT-OAHLLOKOSA-N 1 0 387.506 -0.038 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471645841 530416778 /nfs/dbraw/zinc/41/67/78/530416778.db2.gz ZZPAHSBKJJLQSJ-UHFFFAOYSA-N 1 0 380.511 -0.742 20 0 GBADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000471646689 530416913 /nfs/dbraw/zinc/41/69/13/530416913.db2.gz WPSLSHKMYIXHDQ-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000471646811 530416882 /nfs/dbraw/zinc/41/68/82/530416882.db2.gz MZOZYKTUQUZCHM-UHFFFAOYSA-N 1 0 379.504 -0.207 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471649333 1072578335 /nfs/dbraw/zinc/57/83/35/1072578335.db2.gz YOALPYIODVJELG-UHFFFAOYSA-N 1 0 394.538 -0.353 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471649750 530416937 /nfs/dbraw/zinc/41/69/37/530416937.db2.gz ZRGZUISRFJHBNO-UHFFFAOYSA-N 1 0 379.504 -0.207 20 0 GBADRO C[NH+](C)CCOCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000471651661 1072579236 /nfs/dbraw/zinc/57/92/36/1072579236.db2.gz GBXYBWFFPJQYPN-UHFFFAOYSA-N 1 0 393.492 -0.607 20 0 GBADRO C[NH+](C)CCOCCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000471653258 1072583620 /nfs/dbraw/zinc/58/36/20/1072583620.db2.gz NMKZLJOETAKXOZ-UHFFFAOYSA-N 1 0 392.504 -0.002 20 0 GBADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000471655347 1072584952 /nfs/dbraw/zinc/58/49/52/1072584952.db2.gz VUOXTGJVPDDDDO-HNNXBMFYSA-N 1 0 392.522 -0.599 20 0 GBADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000471655349 1072585216 /nfs/dbraw/zinc/58/52/16/1072585216.db2.gz VUOXTGJVPDDDDO-OAHLLOKOSA-N 1 0 392.522 -0.599 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471659075 1072585602 /nfs/dbraw/zinc/58/56/02/1072585602.db2.gz PAJNESGZGRKPEZ-UHFFFAOYSA-N 1 0 376.465 -0.227 20 0 GBADRO C[NH+](C)CCOCCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471659983 1072586766 /nfs/dbraw/zinc/58/67/66/1072586766.db2.gz UCJXYJAEVLPKIE-UHFFFAOYSA-N 1 0 399.517 -0.256 20 0 GBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471661780 1072591834 /nfs/dbraw/zinc/59/18/34/1072591834.db2.gz HBKKHPNKGMKPOW-INIZCTEOSA-N 1 0 385.509 -0.861 20 0 GBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471661781 1072591923 /nfs/dbraw/zinc/59/19/23/1072591923.db2.gz HBKKHPNKGMKPOW-MRXNPFEDSA-N 1 0 385.509 -0.861 20 0 GBADRO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1c1nccn2cnnc12 ZINC000471663588 1072593173 /nfs/dbraw/zinc/59/31/73/1072593173.db2.gz QUMPZIJKXAHDSQ-AWEZNQCLSA-N 1 0 376.465 -0.077 20 0 GBADRO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN1c1nccn2cnnc12 ZINC000471663589 1072593225 /nfs/dbraw/zinc/59/32/25/1072593225.db2.gz QUMPZIJKXAHDSQ-CQSZACIVSA-N 1 0 376.465 -0.077 20 0 GBADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000471751904 1072182316 /nfs/dbraw/zinc/18/23/16/1072182316.db2.gz VOLYJCDIVHWVNH-ZWKOTPCHSA-N 1 0 392.504 -0.538 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000471804357 530416867 /nfs/dbraw/zinc/41/68/67/530416867.db2.gz LYLGXMPWVOGLCA-HZSPNIEDSA-N 1 0 376.523 -0.045 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000471804358 530417353 /nfs/dbraw/zinc/41/73/53/530417353.db2.gz LYLGXMPWVOGLCA-MCIONIFRSA-N 1 0 376.523 -0.045 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000471804359 530417293 /nfs/dbraw/zinc/41/72/93/530417293.db2.gz LYLGXMPWVOGLCA-MGPQQGTHSA-N 1 0 376.523 -0.045 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000471804360 530417285 /nfs/dbraw/zinc/41/72/85/530417285.db2.gz LYLGXMPWVOGLCA-RDBSUJKOSA-N 1 0 376.523 -0.045 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472028280 1072287270 /nfs/dbraw/zinc/28/72/70/1072287270.db2.gz VJMHWUOTHWHMKH-BEFAXECRSA-N 1 0 378.473 -0.389 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472028281 1072287424 /nfs/dbraw/zinc/28/74/24/1072287424.db2.gz VJMHWUOTHWHMKH-DNVCBOLYSA-N 1 0 378.473 -0.389 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472028282 1072287558 /nfs/dbraw/zinc/28/75/58/1072287558.db2.gz VJMHWUOTHWHMKH-HNAYVOBHSA-N 1 0 378.473 -0.389 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472028283 1072287371 /nfs/dbraw/zinc/28/73/71/1072287371.db2.gz VJMHWUOTHWHMKH-KXBFYZLASA-N 1 0 378.473 -0.389 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC000472068376 1072293225 /nfs/dbraw/zinc/29/32/25/1072293225.db2.gz NZFNLPMHJMJNRC-GDBMZVCRSA-N 1 0 388.534 -0.980 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC000472068377 1072293871 /nfs/dbraw/zinc/29/38/71/1072293871.db2.gz NZFNLPMHJMJNRC-GOEBONIOSA-N 1 0 388.534 -0.980 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000472096404 1072297882 /nfs/dbraw/zinc/29/78/82/1072297882.db2.gz URAKYCISTATEIX-HNNXBMFYSA-N 1 0 383.518 -0.156 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000472096405 1072297820 /nfs/dbraw/zinc/29/78/20/1072297820.db2.gz URAKYCISTATEIX-OAHLLOKOSA-N 1 0 383.518 -0.156 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160439 1072311974 /nfs/dbraw/zinc/31/19/74/1072311974.db2.gz SZXOHWZQJPUTPQ-DLBZAZTESA-N 1 0 378.477 -0.928 20 0 GBADRO Cn1cc([C@H]2[C@H](C(=O)NCC3([NH+](C)C)CCOCC3)OCC(=O)N2C)cn1 ZINC000472166318 1072313693 /nfs/dbraw/zinc/31/36/93/1072313693.db2.gz WJAHSFRVCKDQIL-JKSUJKDBSA-N 1 0 379.461 -0.455 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000472166651 1072313340 /nfs/dbraw/zinc/31/33/40/1072313340.db2.gz ZNAYGNSDADLHAF-FQEVSTJZSA-N 1 0 392.500 -0.176 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000472166652 1072313764 /nfs/dbraw/zinc/31/37/64/1072313764.db2.gz ZNAYGNSDADLHAF-HXUWFJFHSA-N 1 0 392.500 -0.176 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000472167876 530417342 /nfs/dbraw/zinc/41/73/42/530417342.db2.gz FCGNLXCWVDOHLI-HNNXBMFYSA-N 1 0 376.523 -0.139 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000472167879 530417267 /nfs/dbraw/zinc/41/72/67/530417267.db2.gz FCGNLXCWVDOHLI-OAHLLOKOSA-N 1 0 376.523 -0.139 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472169074 1072314686 /nfs/dbraw/zinc/31/46/86/1072314686.db2.gz HIRYCWREAXYRQG-AWEZNQCLSA-N 1 0 387.506 -0.342 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000472169076 1072314393 /nfs/dbraw/zinc/31/43/93/1072314393.db2.gz HIRYCWREAXYRQG-CQSZACIVSA-N 1 0 387.506 -0.342 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000472170804 1072314311 /nfs/dbraw/zinc/31/43/11/1072314311.db2.gz JQIVGWGNFHNJIU-AWEZNQCLSA-N 1 0 387.506 -0.120 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000472170807 1072314786 /nfs/dbraw/zinc/31/47/86/1072314786.db2.gz JQIVGWGNFHNJIU-CQSZACIVSA-N 1 0 387.506 -0.120 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)CCCCO)CC1 ZINC000472184863 1072320261 /nfs/dbraw/zinc/32/02/61/1072320261.db2.gz CGARPXPRUFLSOQ-UHFFFAOYSA-N 1 0 388.490 -0.171 20 0 GBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)S(C)(=O)=O ZINC000472270261 530417766 /nfs/dbraw/zinc/41/77/66/530417766.db2.gz WAVZWJBSMJBBKS-AWEZNQCLSA-N 1 0 376.523 -0.250 20 0 GBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)S(C)(=O)=O ZINC000472270262 530417710 /nfs/dbraw/zinc/41/77/10/530417710.db2.gz WAVZWJBSMJBBKS-CQSZACIVSA-N 1 0 376.523 -0.250 20 0 GBADRO NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000472271450 1072412069 /nfs/dbraw/zinc/41/20/69/1072412069.db2.gz BLYQPIWWSBOQHS-GFCCVEGCSA-N 1 0 380.470 -0.190 20 0 GBADRO NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000472271452 1072412139 /nfs/dbraw/zinc/41/21/39/1072412139.db2.gz BLYQPIWWSBOQHS-LBPRGKRZSA-N 1 0 380.470 -0.190 20 0 GBADRO NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472274981 1072424712 /nfs/dbraw/zinc/42/47/12/1072424712.db2.gz JCJKEWVWVJCVLH-HNNXBMFYSA-N 1 0 396.513 -0.030 20 0 GBADRO NC(=O)C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000472274982 1072423821 /nfs/dbraw/zinc/42/38/21/1072423821.db2.gz JCJKEWVWVJCVLH-OAHLLOKOSA-N 1 0 396.513 -0.030 20 0 GBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000472280197 1072433275 /nfs/dbraw/zinc/43/32/75/1072433275.db2.gz QFQFRMYFMCEKSA-DZGCQCFKSA-N 1 0 396.513 -0.031 20 0 GBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000472280201 1072433335 /nfs/dbraw/zinc/43/33/35/1072433335.db2.gz QFQFRMYFMCEKSA-HIFRSBDPSA-N 1 0 396.513 -0.031 20 0 GBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000472280204 1072433466 /nfs/dbraw/zinc/43/34/66/1072433466.db2.gz QFQFRMYFMCEKSA-UKRRQHHQSA-N 1 0 396.513 -0.031 20 0 GBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000472280207 1072433511 /nfs/dbraw/zinc/43/35/11/1072433511.db2.gz QFQFRMYFMCEKSA-ZFWWWQNUSA-N 1 0 396.513 -0.031 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280503 1072432570 /nfs/dbraw/zinc/43/25/70/1072432570.db2.gz YEZSJOPNWCGVNM-KBPBESRZSA-N 1 0 395.504 -0.330 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280507 1072432545 /nfs/dbraw/zinc/43/25/45/1072432545.db2.gz YEZSJOPNWCGVNM-KGLIPLIRSA-N 1 0 395.504 -0.330 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280509 1072432491 /nfs/dbraw/zinc/43/24/91/1072432491.db2.gz YEZSJOPNWCGVNM-UONOGXRCSA-N 1 0 395.504 -0.330 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472280511 1072432178 /nfs/dbraw/zinc/43/21/78/1072432178.db2.gz YEZSJOPNWCGVNM-ZIAGYGMSSA-N 1 0 395.504 -0.330 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472281503 1072436114 /nfs/dbraw/zinc/43/61/14/1072436114.db2.gz VEBWQAGFNAGZEX-HNNXBMFYSA-N 1 0 381.521 -0.367 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472281509 1072434897 /nfs/dbraw/zinc/43/48/97/1072434897.db2.gz VEBWQAGFNAGZEX-OAHLLOKOSA-N 1 0 381.521 -0.367 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287837 1072464745 /nfs/dbraw/zinc/46/47/45/1072464745.db2.gz PCCHPZMJLXMGKR-CYBMUJFWSA-N 1 0 381.477 -0.718 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000472287838 1072465149 /nfs/dbraw/zinc/46/51/49/1072465149.db2.gz PCCHPZMJLXMGKR-ZDUSSCGKSA-N 1 0 381.477 -0.718 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000472403722 1072783617 /nfs/dbraw/zinc/78/36/17/1072783617.db2.gz FBWIUJADWUJACT-KRWDZBQOSA-N 1 0 396.532 -0.481 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000472403741 1072784228 /nfs/dbraw/zinc/78/42/28/1072784228.db2.gz FBWIUJADWUJACT-QGZVFWFLSA-N 1 0 396.532 -0.481 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000472421584 530417632 /nfs/dbraw/zinc/41/76/32/530417632.db2.gz TULZDCRIPCJSFM-UHFFFAOYSA-N 1 0 379.523 -0.318 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000472430179 1072819323 /nfs/dbraw/zinc/81/93/23/1072819323.db2.gz XTMZVYINXOAEQY-UHFFFAOYSA-N 1 0 397.497 -0.089 20 0 GBADRO CNC(=O)CC1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000472463660 1072864809 /nfs/dbraw/zinc/86/48/09/1072864809.db2.gz PFFPEDWHLVPRDJ-UHFFFAOYSA-N 1 0 395.548 -0.107 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000472471659 1072882536 /nfs/dbraw/zinc/88/25/36/1072882536.db2.gz QQOAJLYHCNUVDL-CQSZACIVSA-N 1 0 381.477 -0.281 20 0 GBADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472503273 1072906211 /nfs/dbraw/zinc/90/62/11/1072906211.db2.gz QVSZEEPLBWCUBQ-DLBZAZTESA-N 1 0 381.477 -0.207 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504419 1072906288 /nfs/dbraw/zinc/90/62/88/1072906288.db2.gz SVMFIUCAEBSYGK-CABCVRRESA-N 1 0 377.363 -0.199 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504424 1072906246 /nfs/dbraw/zinc/90/62/46/1072906246.db2.gz SVMFIUCAEBSYGK-GJZGRUSLSA-N 1 0 377.363 -0.199 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504426 1072906369 /nfs/dbraw/zinc/90/63/69/1072906369.db2.gz SVMFIUCAEBSYGK-HUUCEWRRSA-N 1 0 377.363 -0.199 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000472504428 1072906333 /nfs/dbraw/zinc/90/63/33/1072906333.db2.gz SVMFIUCAEBSYGK-LSDHHAIUSA-N 1 0 377.363 -0.199 20 0 GBADRO COCCOCCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000472561553 1072956011 /nfs/dbraw/zinc/95/60/11/1072956011.db2.gz GBGWUTCPUBESKI-INIZCTEOSA-N 1 0 377.441 -0.129 20 0 GBADRO CC[C@](C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC000472584972 530417695 /nfs/dbraw/zinc/41/76/95/530417695.db2.gz YNPYWNKVVIWBHI-IOASZLSFSA-N 1 0 375.491 -0.575 20 0 GBADRO CC[C@](C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC000472584976 530417601 /nfs/dbraw/zinc/41/76/01/530417601.db2.gz YNPYWNKVVIWBHI-WWGRRREGSA-N 1 0 375.491 -0.575 20 0 GBADRO CC[C@](C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC000472584978 530417691 /nfs/dbraw/zinc/41/76/91/530417691.db2.gz YNPYWNKVVIWBHI-XEZPLFJOSA-N 1 0 375.491 -0.575 20 0 GBADRO CC[C@](C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC000472584980 530417846 /nfs/dbraw/zinc/41/78/46/530417846.db2.gz YNPYWNKVVIWBHI-ZENOOKHLSA-N 1 0 375.491 -0.575 20 0 GBADRO CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc2[nH]1 ZINC000472606451 1072997685 /nfs/dbraw/zinc/99/76/85/1072997685.db2.gz ZQPNOIDCXDGXGC-GOSISDBHSA-N 1 0 375.429 -0.105 20 0 GBADRO CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc2[nH]1 ZINC000472606454 1072997873 /nfs/dbraw/zinc/99/78/73/1072997873.db2.gz ZQPNOIDCXDGXGC-SFHVURJKSA-N 1 0 375.429 -0.105 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1 ZINC000472607953 530417728 /nfs/dbraw/zinc/41/77/28/530417728.db2.gz XYYNFOCBPHKFRH-UHFFFAOYSA-N 1 0 375.520 -0.072 20 0 GBADRO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000472647190 1073114725 /nfs/dbraw/zinc/11/47/25/1073114725.db2.gz DPOKGHSRHBUTBG-IKGGRYGDSA-N 1 0 394.495 -0.141 20 0 GBADRO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000472647195 1073114815 /nfs/dbraw/zinc/11/48/15/1073114815.db2.gz DPOKGHSRHBUTBG-ULQDDVLXSA-N 1 0 394.495 -0.141 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000472699217 1073145747 /nfs/dbraw/zinc/14/57/47/1073145747.db2.gz QFDCIHHXVDWLOU-UHFFFAOYSA-N 1 0 375.429 -0.104 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000472718994 1073149124 /nfs/dbraw/zinc/14/91/24/1073149124.db2.gz ZHVCFOGQPAVXKO-QZTJIDSGSA-N 1 0 399.451 -0.072 20 0 GBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000472718995 1073148780 /nfs/dbraw/zinc/14/87/80/1073148780.db2.gz ZHVCFOGQPAVXKO-ROUUACIJSA-N 1 0 399.451 -0.072 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000472730081 1073149621 /nfs/dbraw/zinc/14/96/21/1073149621.db2.gz ATOXWKISEROHNJ-AWEZNQCLSA-N 1 0 379.490 -0.033 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000472730090 1073149563 /nfs/dbraw/zinc/14/95/63/1073149563.db2.gz ATOXWKISEROHNJ-CQSZACIVSA-N 1 0 379.490 -0.033 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472733366 530418367 /nfs/dbraw/zinc/41/83/67/530418367.db2.gz HSTGTBOMVWLSDE-CABCVRRESA-N 1 0 376.523 -0.126 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472733367 530418340 /nfs/dbraw/zinc/41/83/40/530418340.db2.gz HSTGTBOMVWLSDE-GJZGRUSLSA-N 1 0 376.523 -0.126 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000472733368 530418300 /nfs/dbraw/zinc/41/83/00/530418300.db2.gz HSTGTBOMVWLSDE-HUUCEWRRSA-N 1 0 376.523 -0.126 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472733369 530418317 /nfs/dbraw/zinc/41/83/17/530418317.db2.gz HSTGTBOMVWLSDE-LSDHHAIUSA-N 1 0 376.523 -0.126 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472741520 530417979 /nfs/dbraw/zinc/41/79/79/530417979.db2.gz TWDIEVKBFKTIOM-HNNXBMFYSA-N 1 0 378.539 -0.527 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472741528 530417962 /nfs/dbraw/zinc/41/79/62/530417962.db2.gz TWDIEVKBFKTIOM-OAHLLOKOSA-N 1 0 378.539 -0.527 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768259 1073171207 /nfs/dbraw/zinc/17/12/07/1073171207.db2.gz HSXAKMKQWFRNSO-DZGCQCFKSA-N 1 0 382.486 -0.582 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768265 1073171246 /nfs/dbraw/zinc/17/12/46/1073171246.db2.gz HSXAKMKQWFRNSO-HIFRSBDPSA-N 1 0 382.486 -0.582 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768267 1073171223 /nfs/dbraw/zinc/17/12/23/1073171223.db2.gz HSXAKMKQWFRNSO-UKRRQHHQSA-N 1 0 382.486 -0.582 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(N)(=O)=O ZINC000472768268 1073171115 /nfs/dbraw/zinc/17/11/15/1073171115.db2.gz HSXAKMKQWFRNSO-ZFWWWQNUSA-N 1 0 382.486 -0.582 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1=O ZINC000472777201 1073184003 /nfs/dbraw/zinc/18/40/03/1073184003.db2.gz YNGXKDRIIUIPGR-CABCVRRESA-N 1 0 383.493 -0.524 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1=O ZINC000472777204 1073184386 /nfs/dbraw/zinc/18/43/86/1073184386.db2.gz YNGXKDRIIUIPGR-GJZGRUSLSA-N 1 0 383.493 -0.524 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1=O ZINC000472777206 1073184029 /nfs/dbraw/zinc/18/40/29/1073184029.db2.gz YNGXKDRIIUIPGR-HUUCEWRRSA-N 1 0 383.493 -0.524 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1=O ZINC000472777207 1073184311 /nfs/dbraw/zinc/18/43/11/1073184311.db2.gz YNGXKDRIIUIPGR-LSDHHAIUSA-N 1 0 383.493 -0.524 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786775 1073195118 /nfs/dbraw/zinc/19/51/18/1073195118.db2.gz KRAVUFRJBZCBLR-AWEZNQCLSA-N 1 0 378.481 -0.175 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1nnnn1CC1CC1 ZINC000472786776 1073194470 /nfs/dbraw/zinc/19/44/70/1073194470.db2.gz KRAVUFRJBZCBLR-CQSZACIVSA-N 1 0 378.481 -0.175 20 0 GBADRO CO[C@]1(C)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000472809891 1073201898 /nfs/dbraw/zinc/20/18/98/1073201898.db2.gz GNXQHWNULOGKCI-GOSISDBHSA-N 1 0 394.476 -0.473 20 0 GBADRO CO[C@@]1(C)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000472809892 1073201816 /nfs/dbraw/zinc/20/18/16/1073201816.db2.gz GNXQHWNULOGKCI-SFHVURJKSA-N 1 0 394.476 -0.473 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2nnnn2CC2CC2)CC1 ZINC000472844023 1073209654 /nfs/dbraw/zinc/20/96/54/1073209654.db2.gz BMZXVCSLXYNIFW-UHFFFAOYSA-N 1 0 378.481 -0.175 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861001 530418230 /nfs/dbraw/zinc/41/82/30/530418230.db2.gz BLRLTKGLHLUZPA-HNNXBMFYSA-N 1 0 389.861 -0.135 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472861003 530418108 /nfs/dbraw/zinc/41/81/08/530418108.db2.gz BLRLTKGLHLUZPA-OAHLLOKOSA-N 1 0 389.861 -0.135 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000472895029 1073221212 /nfs/dbraw/zinc/22/12/12/1073221212.db2.gz ATULYSXQPWBIPL-INIZCTEOSA-N 1 0 396.536 -0.608 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000472895030 1073221362 /nfs/dbraw/zinc/22/13/62/1073221362.db2.gz ATULYSXQPWBIPL-MRXNPFEDSA-N 1 0 396.536 -0.608 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898399 1073222523 /nfs/dbraw/zinc/22/25/23/1073222523.db2.gz DWFMEMYYCKAEEE-HNNXBMFYSA-N 1 0 398.533 -0.315 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000472898400 1073222090 /nfs/dbraw/zinc/22/20/90/1073222090.db2.gz DWFMEMYYCKAEEE-OAHLLOKOSA-N 1 0 398.533 -0.315 20 0 GBADRO CCN(CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000472900453 530418069 /nfs/dbraw/zinc/41/80/69/530418069.db2.gz FEBREXYYAMIWQT-HNNXBMFYSA-N 1 0 377.555 -0.017 20 0 GBADRO CCN(CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000472900454 530418006 /nfs/dbraw/zinc/41/80/06/530418006.db2.gz FEBREXYYAMIWQT-OAHLLOKOSA-N 1 0 377.555 -0.017 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907579 1073225591 /nfs/dbraw/zinc/22/55/91/1073225591.db2.gz GPKUJEPRPNHVAL-CVEARBPZSA-N 1 0 389.566 -0.017 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472907583 1073225379 /nfs/dbraw/zinc/22/53/79/1073225379.db2.gz GPKUJEPRPNHVAL-HOTGVXAUSA-N 1 0 389.566 -0.017 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907585 1073225844 /nfs/dbraw/zinc/22/58/44/1073225844.db2.gz GPKUJEPRPNHVAL-HZPDHXFCSA-N 1 0 389.566 -0.017 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472907587 1073225620 /nfs/dbraw/zinc/22/56/20/1073225620.db2.gz GPKUJEPRPNHVAL-JKSUJKDBSA-N 1 0 389.566 -0.017 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472908762 530418176 /nfs/dbraw/zinc/41/81/76/530418176.db2.gz IYWIZXFTBGSRRI-HNNXBMFYSA-N 1 0 377.555 -0.017 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472908763 530418242 /nfs/dbraw/zinc/41/82/42/530418242.db2.gz IYWIZXFTBGSRRI-OAHLLOKOSA-N 1 0 377.555 -0.017 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000472910291 1073224679 /nfs/dbraw/zinc/22/46/79/1073224679.db2.gz AWBRNQGGRUWXMX-INIZCTEOSA-N 1 0 396.536 -0.609 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000472910292 1073225751 /nfs/dbraw/zinc/22/57/51/1073225751.db2.gz AWBRNQGGRUWXMX-MRXNPFEDSA-N 1 0 396.536 -0.609 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472912684 530418074 /nfs/dbraw/zinc/41/80/74/530418074.db2.gz CXQUXMBUXDISNK-HNNXBMFYSA-N 1 0 377.555 -0.017 20 0 GBADRO CCN(CC)S(=O)(=O)CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472912686 530418053 /nfs/dbraw/zinc/41/80/53/530418053.db2.gz CXQUXMBUXDISNK-OAHLLOKOSA-N 1 0 377.555 -0.017 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472913376 530418152 /nfs/dbraw/zinc/41/81/52/530418152.db2.gz JKFYZIJDQXDFIT-CABCVRRESA-N 1 0 375.539 -0.264 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472913377 530418162 /nfs/dbraw/zinc/41/81/62/530418162.db2.gz JKFYZIJDQXDFIT-GJZGRUSLSA-N 1 0 375.539 -0.264 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472913378 530418098 /nfs/dbraw/zinc/41/80/98/530418098.db2.gz JKFYZIJDQXDFIT-HUUCEWRRSA-N 1 0 375.539 -0.264 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472913379 530418081 /nfs/dbraw/zinc/41/80/81/530418081.db2.gz JKFYZIJDQXDFIT-LSDHHAIUSA-N 1 0 375.539 -0.264 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000472925799 1073232287 /nfs/dbraw/zinc/23/22/87/1073232287.db2.gz NDSNGNJHIOUYFM-HNNXBMFYSA-N 1 0 394.520 -0.855 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000472925802 1073232424 /nfs/dbraw/zinc/23/24/24/1073232424.db2.gz NDSNGNJHIOUYFM-OAHLLOKOSA-N 1 0 394.520 -0.855 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000472931251 530417973 /nfs/dbraw/zinc/41/79/73/530417973.db2.gz RRDPTDPNZNCDST-UHFFFAOYSA-N 1 0 384.568 -0.739 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)S(N)(=O)=O ZINC000472969912 1073260987 /nfs/dbraw/zinc/26/09/87/1073260987.db2.gz SIGIHVRKCFOWOB-BMFZPTHFSA-N 1 0 394.497 -0.630 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)S(N)(=O)=O ZINC000472969913 1073260548 /nfs/dbraw/zinc/26/05/48/1073260548.db2.gz SIGIHVRKCFOWOB-CWRNSKLLSA-N 1 0 394.497 -0.630 20 0 GBADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000472990563 1073269779 /nfs/dbraw/zinc/26/97/79/1073269779.db2.gz RCYQZURQSBGHMQ-UHFFFAOYSA-N 1 0 386.474 -0.009 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000473028872 530418219 /nfs/dbraw/zinc/41/82/19/530418219.db2.gz UMMOEAWRLWKWLY-KBPBESRZSA-N 1 0 376.523 -0.043 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000473028873 530418139 /nfs/dbraw/zinc/41/81/39/530418139.db2.gz UMMOEAWRLWKWLY-KGLIPLIRSA-N 1 0 376.523 -0.043 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000473028874 530418364 /nfs/dbraw/zinc/41/83/64/530418364.db2.gz UMMOEAWRLWKWLY-UONOGXRCSA-N 1 0 376.523 -0.043 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000473028875 530418207 /nfs/dbraw/zinc/41/82/07/530418207.db2.gz UMMOEAWRLWKWLY-ZIAGYGMSSA-N 1 0 376.523 -0.043 20 0 GBADRO CCOC(=O)C1CCN(C(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473030762 1073312591 /nfs/dbraw/zinc/31/25/91/1073312591.db2.gz GIJNIDYJGJSHEM-UHFFFAOYSA-N 1 0 382.505 -0.116 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000473030807 1073312817 /nfs/dbraw/zinc/31/28/17/1073312817.db2.gz GPMTZTDBXMHOAY-UHFFFAOYSA-N 1 0 383.537 -0.691 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000473032624 1073314370 /nfs/dbraw/zinc/31/43/70/1073314370.db2.gz GOPYFCFPUDZHOA-UHFFFAOYSA-N 1 0 379.505 -0.837 20 0 GBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473044178 1073324098 /nfs/dbraw/zinc/32/40/98/1073324098.db2.gz GZSNRGYJZXFVIF-UHFFFAOYSA-N 1 0 394.476 -0.369 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473047078 1073327423 /nfs/dbraw/zinc/32/74/23/1073327423.db2.gz NDLAWCIRVCDTDG-INIZCTEOSA-N 1 0 382.505 -0.116 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473047479 1073329150 /nfs/dbraw/zinc/32/91/50/1073329150.db2.gz NDLAWCIRVCDTDG-MRXNPFEDSA-N 1 0 382.505 -0.116 20 0 GBADRO C[C@H](NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCCC1 ZINC000473049687 1073331819 /nfs/dbraw/zinc/33/18/19/1073331819.db2.gz MPCYYYKRTPUCPV-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO C[C@@H](NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)N1CCCCC1 ZINC000473049689 1073331444 /nfs/dbraw/zinc/33/14/44/1073331444.db2.gz MPCYYYKRTPUCPV-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000473052369 1073334848 /nfs/dbraw/zinc/33/48/48/1073334848.db2.gz QMFNJLRNOSOIBV-UHFFFAOYSA-N 1 0 395.548 -0.009 20 0 GBADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171459 1073553827 /nfs/dbraw/zinc/55/38/27/1073553827.db2.gz RTEKPAXKKNUHSX-MNEFBYGVSA-N 1 0 377.485 -0.049 20 0 GBADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000473171468 1073554078 /nfs/dbraw/zinc/55/40/78/1073554078.db2.gz RTEKPAXKKNUHSX-SNRMKQJTSA-N 1 0 377.485 -0.049 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000473171984 1073555526 /nfs/dbraw/zinc/55/55/26/1073555526.db2.gz HVKGHSBGPBGRKI-UHFFFAOYSA-N 1 0 391.538 -0.378 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000473182878 1073569025 /nfs/dbraw/zinc/56/90/25/1073569025.db2.gz AAXJANXHPULGCI-UHFFFAOYSA-N 1 0 381.477 -0.279 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000473184696 1073573361 /nfs/dbraw/zinc/57/33/61/1073573361.db2.gz VCGNSZRFZWNZOF-UHFFFAOYSA-N 1 0 383.493 -0.569 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000473190655 1073581168 /nfs/dbraw/zinc/58/11/68/1073581168.db2.gz KZUDSEXBJBPEJP-UHFFFAOYSA-N 1 0 389.504 -0.779 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000473191840 1073582227 /nfs/dbraw/zinc/58/22/27/1073582227.db2.gz ANTGUWZPSCNPIO-UHFFFAOYSA-N 1 0 381.399 -0.140 20 0 GBADRO CNC(=O)[C@@H](NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000473205508 1073598420 /nfs/dbraw/zinc/59/84/20/1073598420.db2.gz XELJQSMZESRIPS-IBGZPJMESA-N 1 0 389.500 -0.314 20 0 GBADRO CNC(=O)[C@H](NC(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000473205510 1073598502 /nfs/dbraw/zinc/59/85/02/1073598502.db2.gz XELJQSMZESRIPS-LJQANCHMSA-N 1 0 389.500 -0.314 20 0 GBADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473208041 1073614844 /nfs/dbraw/zinc/61/48/44/1073614844.db2.gz ZRERERKUHSXIGB-LLVKDONJSA-N 1 0 381.399 -0.141 20 0 GBADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473208046 1073614057 /nfs/dbraw/zinc/61/40/57/1073614057.db2.gz ZRERERKUHSXIGB-NSHDSACASA-N 1 0 381.399 -0.141 20 0 GBADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000473254683 1073759684 /nfs/dbraw/zinc/75/96/84/1073759684.db2.gz MRBRDJDRYQWDCK-INIZCTEOSA-N 1 0 389.566 -0.211 20 0 GBADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000473254684 1073780122 /nfs/dbraw/zinc/78/01/22/1073780122.db2.gz MRBRDJDRYQWDCK-MRXNPFEDSA-N 1 0 389.566 -0.211 20 0 GBADRO COC(=O)CC1([NH2+]CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCOCC1 ZINC000473287008 1073815292 /nfs/dbraw/zinc/81/52/92/1073815292.db2.gz IINZXRWJYOSTQO-UHFFFAOYSA-N 1 0 385.442 -0.026 20 0 GBADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC000473288357 1073815338 /nfs/dbraw/zinc/81/53/38/1073815338.db2.gz RLUMXFKACPJUDW-UHFFFAOYSA-N 1 0 385.442 -0.026 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473335371 1073818994 /nfs/dbraw/zinc/81/89/94/1073818994.db2.gz XRTUEQIUJYCFNF-UHFFFAOYSA-N 1 0 391.428 -0.629 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000473348973 1073821895 /nfs/dbraw/zinc/82/18/95/1073821895.db2.gz AKNBKCSRFSQWEF-UHFFFAOYSA-N 1 0 387.444 -0.048 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000473356640 1073821440 /nfs/dbraw/zinc/82/14/40/1073821440.db2.gz NCUJWYNLSYKEPK-UHFFFAOYSA-N 1 0 387.444 -0.048 20 0 GBADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473365105 1073824002 /nfs/dbraw/zinc/82/40/02/1073824002.db2.gz OPCYKYRTBIZXEZ-UHFFFAOYSA-N 1 0 396.407 -0.278 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@H](C)C1 ZINC000473367598 1073823556 /nfs/dbraw/zinc/82/35/56/1073823556.db2.gz IWXJRKGUKGNKQA-GHMZBOCLSA-N 1 0 378.433 -0.792 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@H](C)C1 ZINC000473367604 1073824534 /nfs/dbraw/zinc/82/45/34/1073824534.db2.gz IWXJRKGUKGNKQA-MNOVXSKESA-N 1 0 378.433 -0.792 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](C)C1 ZINC000473367606 1073824623 /nfs/dbraw/zinc/82/46/23/1073824623.db2.gz IWXJRKGUKGNKQA-QWRGUYRKSA-N 1 0 378.433 -0.792 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](C)C1 ZINC000473367608 1073824809 /nfs/dbraw/zinc/82/48/09/1073824809.db2.gz IWXJRKGUKGNKQA-WDEREUQCSA-N 1 0 378.433 -0.792 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3nnnn3C)c2)CC1 ZINC000473409960 1073831394 /nfs/dbraw/zinc/83/13/94/1073831394.db2.gz MDESSTAJQLGZBO-UHFFFAOYSA-N 1 0 386.460 -0.051 20 0 GBADRO C[C@@H](C(=O)N(C)CC(=O)N1CCN(CCC(=O)N(C)C)CC1)n1cccn1 ZINC000473423694 1073831316 /nfs/dbraw/zinc/83/13/16/1073831316.db2.gz ZDIRTXYWYIFHRZ-HNNXBMFYSA-N 1 0 378.477 -0.475 20 0 GBADRO C[C@H](C(=O)N(C)CC(=O)N1CCN(CCC(=O)N(C)C)CC1)n1cccn1 ZINC000473423703 1073831174 /nfs/dbraw/zinc/83/11/74/1073831174.db2.gz ZDIRTXYWYIFHRZ-OAHLLOKOSA-N 1 0 378.477 -0.475 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000473423713 1073831499 /nfs/dbraw/zinc/83/14/99/1073831499.db2.gz VVWYGABBXYFWKM-UHFFFAOYSA-N 1 0 391.472 -0.663 20 0 GBADRO CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@@H](O)CN1CCOCC1)CCC2 ZINC000473427815 1073831073 /nfs/dbraw/zinc/83/10/73/1073831073.db2.gz LCNDQFWIBOCLNN-CYBMUJFWSA-N 1 0 379.461 -0.300 20 0 GBADRO CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@H](O)CN1CCOCC1)CCC2 ZINC000473427816 1073830855 /nfs/dbraw/zinc/83/08/55/1073830855.db2.gz LCNDQFWIBOCLNN-ZDUSSCGKSA-N 1 0 379.461 -0.300 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000473478230 1073881118 /nfs/dbraw/zinc/88/11/18/1073881118.db2.gz LLCXDOVQPFCAPP-CYBMUJFWSA-N 1 0 393.492 -0.368 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000473478231 1073881185 /nfs/dbraw/zinc/88/11/85/1073881185.db2.gz LLCXDOVQPFCAPP-ZDUSSCGKSA-N 1 0 393.492 -0.368 20 0 GBADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000473482358 1073894468 /nfs/dbraw/zinc/89/44/68/1073894468.db2.gz KURNONVKHBLCFQ-CYBMUJFWSA-N 1 0 379.461 -0.108 20 0 GBADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000473482359 1073894341 /nfs/dbraw/zinc/89/43/41/1073894341.db2.gz KURNONVKHBLCFQ-ZDUSSCGKSA-N 1 0 379.461 -0.108 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC3(CC3)C2)cn1 ZINC000473487147 1073902103 /nfs/dbraw/zinc/90/21/03/1073902103.db2.gz GNXXWKDXOCSSBD-UHFFFAOYSA-N 1 0 376.461 -0.098 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2(CS(C)(=O)=O)CC2)cn1 ZINC000473506320 1073938248 /nfs/dbraw/zinc/93/82/48/1073938248.db2.gz HHOKZLLNYLQKMO-UHFFFAOYSA-N 1 0 385.490 -0.286 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000473510639 530418538 /nfs/dbraw/zinc/41/85/38/530418538.db2.gz SWUQJTAGOXNIBT-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C ZINC000473510640 530418523 /nfs/dbraw/zinc/41/85/23/530418523.db2.gz SWUQJTAGOXNIBT-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC000473558542 1072572976 /nfs/dbraw/zinc/57/29/76/1072572976.db2.gz ZSYBEMAQVQXGHY-UHFFFAOYSA-N 1 0 390.550 -0.477 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(CO)CCCC2)cn1 ZINC000473603580 1072953833 /nfs/dbraw/zinc/95/38/33/1072953833.db2.gz CCUKHFZKMBDXBX-UHFFFAOYSA-N 1 0 394.476 -0.832 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cc21 ZINC000473608950 1072979690 /nfs/dbraw/zinc/97/96/90/1072979690.db2.gz UQCTVNLGQXONLS-UHFFFAOYSA-N 1 0 399.411 -0.272 20 0 GBADRO CCOC(=O)C1(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000473610331 1072991724 /nfs/dbraw/zinc/99/17/24/1072991724.db2.gz ZCLDUVRKYCDXGH-UHFFFAOYSA-N 1 0 393.444 -0.387 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3)cc2)CC1 ZINC000473692773 1073023114 /nfs/dbraw/zinc/02/31/14/1073023114.db2.gz UNARTTVFRIDJRF-MRXNPFEDSA-N 1 0 376.457 -0.156 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cn1 ZINC000473696012 1073022828 /nfs/dbraw/zinc/02/28/28/1073022828.db2.gz NVCRLYZPUWSJIW-HNNXBMFYSA-N 1 0 395.508 -0.207 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn1 ZINC000473696016 1073022705 /nfs/dbraw/zinc/02/27/05/1073022705.db2.gz NVCRLYZPUWSJIW-OAHLLOKOSA-N 1 0 395.508 -0.207 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000473697310 1073022804 /nfs/dbraw/zinc/02/28/04/1073022804.db2.gz MCMWSTKARHUKQK-AWEZNQCLSA-N 1 0 380.449 -0.734 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000473697326 1073022921 /nfs/dbraw/zinc/02/29/21/1073022921.db2.gz MCMWSTKARHUKQK-CQSZACIVSA-N 1 0 380.449 -0.734 20 0 GBADRO O[C@@H]1CC[C@H](CNc2nc(N3CCOCC3)nc(NC[C@H]3CC[C@@H](O)C3)[nH+]2)C1 ZINC000473705157 1073023755 /nfs/dbraw/zinc/02/37/55/1073023755.db2.gz JGGGEOAMZSEOSJ-CAOSSQGBSA-N 1 0 392.504 -0.302 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000473716886 1073024985 /nfs/dbraw/zinc/02/49/85/1073024985.db2.gz PKCWCTHULSBZEE-AWEZNQCLSA-N 1 0 397.501 -0.351 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000473716887 1073025123 /nfs/dbraw/zinc/02/51/23/1073025123.db2.gz PKCWCTHULSBZEE-CQSZACIVSA-N 1 0 397.501 -0.351 20 0 GBADRO COCCNc1nc(NC[C@@H]2CC[C@H](O)C2)[nH+]c(NC[C@@H]2CC[C@H](O)C2)n1 ZINC000473717907 1073025422 /nfs/dbraw/zinc/02/54/22/1073025422.db2.gz NCAPNMAOKLFHQC-KBXIAJHMSA-N 1 0 380.493 -0.659 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cn1 ZINC000473747151 1073027570 /nfs/dbraw/zinc/02/75/70/1073027570.db2.gz HVTKBILHYNXJPL-UHFFFAOYSA-N 1 0 398.485 -0.005 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000473876463 1073079210 /nfs/dbraw/zinc/07/92/10/1073079210.db2.gz NCOFIWQWFDBLCY-UHFFFAOYSA-N 1 0 382.553 -0.182 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000473926174 1073123482 /nfs/dbraw/zinc/12/34/82/1073123482.db2.gz BQQRUGGFGYOUME-CYBMUJFWSA-N 1 0 383.474 -0.693 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000473926175 1073123786 /nfs/dbraw/zinc/12/37/86/1073123786.db2.gz BQQRUGGFGYOUME-ZDUSSCGKSA-N 1 0 383.474 -0.693 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000473936417 1073126198 /nfs/dbraw/zinc/12/61/98/1073126198.db2.gz IADXKOIEBMQCDX-UHFFFAOYSA-N 1 0 377.493 -0.078 20 0 GBADRO COc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1C(=O)N(C)C ZINC000473936856 1073125864 /nfs/dbraw/zinc/12/58/64/1073125864.db2.gz AZRXHUHUGQRKIR-UHFFFAOYSA-N 1 0 384.502 -0.077 20 0 GBADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000473941701 530418704 /nfs/dbraw/zinc/41/87/04/530418704.db2.gz CEYNXJVHPOGRHH-UHFFFAOYSA-N 1 0 384.568 -0.138 20 0 GBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000473946622 530418660 /nfs/dbraw/zinc/41/86/60/530418660.db2.gz HEMXKWPUWRDTIJ-UHFFFAOYSA-N 1 0 390.531 -0.490 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000473954076 530418673 /nfs/dbraw/zinc/41/86/73/530418673.db2.gz WBGHIICTZBLMPG-AWEZNQCLSA-N 1 0 376.523 -0.055 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000473954077 530418619 /nfs/dbraw/zinc/41/86/19/530418619.db2.gz WBGHIICTZBLMPG-CQSZACIVSA-N 1 0 376.523 -0.055 20 0 GBADRO CN1C[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000473955900 1073129943 /nfs/dbraw/zinc/12/99/43/1073129943.db2.gz KKGRSNAJLTVOGI-HNNXBMFYSA-N 1 0 375.477 -0.091 20 0 GBADRO CN1C[C@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000473955901 1073130184 /nfs/dbraw/zinc/13/01/84/1073130184.db2.gz KKGRSNAJLTVOGI-OAHLLOKOSA-N 1 0 375.477 -0.091 20 0 GBADRO CCNC(=O)N1CC[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000473971697 1073131135 /nfs/dbraw/zinc/13/11/35/1073131135.db2.gz ONAJLNMKCCWGAT-INIZCTEOSA-N 1 0 384.525 -0.521 20 0 GBADRO CCNC(=O)N1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000473971702 1073131026 /nfs/dbraw/zinc/13/10/26/1073131026.db2.gz ONAJLNMKCCWGAT-MRXNPFEDSA-N 1 0 384.525 -0.521 20 0 GBADRO CC(C)[C@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)[NH+]1CCN(C)CC1 ZINC000474004729 1073193319 /nfs/dbraw/zinc/19/33/19/1073193319.db2.gz JRWXIXDYYUZWIM-AWEZNQCLSA-N 1 0 380.497 -0.240 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cn1 ZINC000474005358 1073192403 /nfs/dbraw/zinc/19/24/03/1073192403.db2.gz CJAKHFLCPGGYTF-HNNXBMFYSA-N 1 0 395.508 -0.349 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cn1 ZINC000474005359 1073192458 /nfs/dbraw/zinc/19/24/58/1073192458.db2.gz CJAKHFLCPGGYTF-OAHLLOKOSA-N 1 0 395.508 -0.349 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)nn1 ZINC000474012503 1073199898 /nfs/dbraw/zinc/19/98/98/1073199898.db2.gz RSRDGPABZSGDNT-UHFFFAOYSA-N 1 0 381.481 -0.334 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1=O ZINC000474023544 1073223594 /nfs/dbraw/zinc/22/35/94/1073223594.db2.gz QZTIOKUPGICGPP-HNNXBMFYSA-N 1 0 397.520 -0.134 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1=O ZINC000474023545 1073223413 /nfs/dbraw/zinc/22/34/13/1073223413.db2.gz QZTIOKUPGICGPP-OAHLLOKOSA-N 1 0 397.520 -0.134 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000474035513 1073269986 /nfs/dbraw/zinc/26/99/86/1073269986.db2.gz UDJYAEZYUSBBGI-KRWDZBQOSA-N 1 0 382.553 -0.325 20 0 GBADRO C[C@H](CNC(=O)N1CCN(CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000474035515 1073269816 /nfs/dbraw/zinc/26/98/16/1073269816.db2.gz UDJYAEZYUSBBGI-QGZVFWFLSA-N 1 0 382.553 -0.325 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474043614 1073295371 /nfs/dbraw/zinc/29/53/71/1073295371.db2.gz ZGNAPVZJAHVHJC-INIZCTEOSA-N 1 0 396.536 -0.621 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474043618 1073295084 /nfs/dbraw/zinc/29/50/84/1073295084.db2.gz ZGNAPVZJAHVHJC-MRXNPFEDSA-N 1 0 396.536 -0.621 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000474076551 1073300728 /nfs/dbraw/zinc/30/07/28/1073300728.db2.gz SJPFYCKPFBBLGW-UHFFFAOYSA-N 1 0 378.481 -0.221 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000474080286 1073301713 /nfs/dbraw/zinc/30/17/13/1073301713.db2.gz FXMABESRYUNHFY-UHFFFAOYSA-N 1 0 397.447 -0.208 20 0 GBADRO Cc1occc1C(=O)NCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000474094656 1073308846 /nfs/dbraw/zinc/30/88/46/1073308846.db2.gz ITCNURDTTAWTCI-UHFFFAOYSA-N 1 0 376.417 -0.169 20 0 GBADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000474140973 1073316392 /nfs/dbraw/zinc/31/63/92/1073316392.db2.gz WDSASSKWUZQIGZ-UHFFFAOYSA-N 1 0 396.469 -0.052 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000474160221 1073319573 /nfs/dbraw/zinc/31/95/73/1073319573.db2.gz MHHHLYCHVUZVBQ-CYBMUJFWSA-N 1 0 388.490 -0.795 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000474160230 1073319266 /nfs/dbraw/zinc/31/92/66/1073319266.db2.gz MHHHLYCHVUZVBQ-ZDUSSCGKSA-N 1 0 388.490 -0.795 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C1 ZINC000474160600 530419087 /nfs/dbraw/zinc/41/90/87/530419087.db2.gz OBMAPGWQXRONKK-AWEZNQCLSA-N 1 0 383.536 -0.606 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C1 ZINC000474160601 530419062 /nfs/dbraw/zinc/41/90/62/530419062.db2.gz OBMAPGWQXRONKK-CQSZACIVSA-N 1 0 383.536 -0.606 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000474165034 1073320520 /nfs/dbraw/zinc/32/05/20/1073320520.db2.gz RHTVHYYCAQVWDO-UHFFFAOYSA-N 1 0 397.501 -0.338 20 0 GBADRO CCNC(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000474198748 1073321390 /nfs/dbraw/zinc/32/13/90/1073321390.db2.gz HKSLJGVBCKUXQN-HNNXBMFYSA-N 1 0 382.509 -0.014 20 0 GBADRO CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000474198750 1073321742 /nfs/dbraw/zinc/32/17/42/1073321742.db2.gz HKSLJGVBCKUXQN-OAHLLOKOSA-N 1 0 382.509 -0.014 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000474205741 1073321864 /nfs/dbraw/zinc/32/18/64/1073321864.db2.gz ZUARVKXEBYBNAP-CHWSQXEVSA-N 1 0 387.506 -0.610 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000474205742 1073321439 /nfs/dbraw/zinc/32/14/39/1073321439.db2.gz ZUARVKXEBYBNAP-OLZOCXBDSA-N 1 0 387.506 -0.610 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000474205743 1073322865 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20 0 GBADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000474723687 1073340108 /nfs/dbraw/zinc/34/01/08/1073340108.db2.gz GOMMJNNXKVLONA-KRWDZBQOSA-N 1 0 381.521 -0.096 20 0 GBADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000474723688 1073339997 /nfs/dbraw/zinc/33/99/97/1073339997.db2.gz GOMMJNNXKVLONA-QGZVFWFLSA-N 1 0 381.521 -0.096 20 0 GBADRO CCC(=O)N1CC[C@@H](Nc2nc(NC)[nH+]c(N[C@@H]3CCN(C(=O)CC)C3)n2)C1 ZINC000474780295 1073341663 /nfs/dbraw/zinc/34/16/63/1073341663.db2.gz OERVZWQZASXUDS-CHWSQXEVSA-N 1 0 390.492 -0.975 20 0 GBADRO CCC(=O)N1CC[C@H](Nc2nc(NC)[nH+]c(N[C@H]3CCN(C(=O)CC)C3)n2)C1 ZINC000474780297 1073341498 /nfs/dbraw/zinc/34/14/98/1073341498.db2.gz OERVZWQZASXUDS-STQMWFEESA-N 1 0 390.492 -0.975 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000474783411 1073341813 /nfs/dbraw/zinc/34/18/13/1073341813.db2.gz FVIVLGSLRKSDJI-UHFFFAOYSA-N 1 0 396.513 -0.288 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783513 1073341636 /nfs/dbraw/zinc/34/16/36/1073341636.db2.gz LURLYAADVMQUDO-KBPBESRZSA-N 1 0 386.522 -0.771 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783514 1073341421 /nfs/dbraw/zinc/34/14/21/1073341421.db2.gz LURLYAADVMQUDO-KGLIPLIRSA-N 1 0 386.522 -0.771 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000474783515 1073341091 /nfs/dbraw/zinc/34/10/91/1073341091.db2.gz LURLYAADVMQUDO-UONOGXRCSA-N 1 0 386.522 -0.771 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000474783714 1073341558 /nfs/dbraw/zinc/34/15/58/1073341558.db2.gz LURLYAADVMQUDO-ZIAGYGMSSA-N 1 0 386.522 -0.771 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474793816 1073342098 /nfs/dbraw/zinc/34/20/98/1073342098.db2.gz YLKXOXLQBUEHKR-CYBMUJFWSA-N 1 0 386.522 -0.851 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cn1C ZINC000474793819 1073342126 /nfs/dbraw/zinc/34/21/26/1073342126.db2.gz YLKXOXLQBUEHKR-ZDUSSCGKSA-N 1 0 386.522 -0.851 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000474805124 1073342376 /nfs/dbraw/zinc/34/23/76/1073342376.db2.gz SMGLMYOSWCSYLN-UHFFFAOYSA-N 1 0 386.522 -0.769 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474813561 530419375 /nfs/dbraw/zinc/41/93/75/530419375.db2.gz SOASJSJMVCFGQI-UHFFFAOYSA-N 1 0 378.539 -0.525 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474813582 530419513 /nfs/dbraw/zinc/41/95/13/530419513.db2.gz SXOYLUHDLUUZGO-UHFFFAOYSA-N 1 0 378.539 -0.525 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474813761 1073342330 /nfs/dbraw/zinc/34/23/30/1073342330.db2.gz WLNBZSSAXPZHAB-UHFFFAOYSA-N 1 0 392.566 -0.137 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000474816089 1073343372 /nfs/dbraw/zinc/34/33/72/1073343372.db2.gz XHYGHVDCDVIRJH-UHFFFAOYSA-N 1 0 389.566 -0.904 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cn1 ZINC000474821046 1073343073 /nfs/dbraw/zinc/34/30/73/1073343073.db2.gz IUKAKLRVKOKWOV-UHFFFAOYSA-N 1 0 386.522 -0.769 20 0 GBADRO CC(C)C[C@H](NC(=O)NCC1(S(C)(=O)=O)CC1)C(=O)NCC[NH+](C)C ZINC000474843256 530419505 /nfs/dbraw/zinc/41/95/05/530419505.db2.gz BZIFKFNSMDHKPB-ZDUSSCGKSA-N 1 0 376.523 -0.045 20 0 GBADRO Cn1cc(-c2ncc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)cn1 ZINC000474868451 1073358267 /nfs/dbraw/zinc/35/82/67/1073358267.db2.gz LONJTJXKOUDFPS-KRWDZBQOSA-N 1 0 385.472 -0.100 20 0 GBADRO Cn1cc(-c2ncc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)cn1 ZINC000474868452 1073357874 /nfs/dbraw/zinc/35/78/74/1073357874.db2.gz LONJTJXKOUDFPS-QGZVFWFLSA-N 1 0 385.472 -0.100 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000474888528 1073359419 /nfs/dbraw/zinc/35/94/19/1073359419.db2.gz OSZTZHAPSQSCPD-UHFFFAOYSA-N 1 0 387.506 -0.296 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000474889171 1073359516 /nfs/dbraw/zinc/35/95/16/1073359516.db2.gz RLDSNIAMBUQGHB-UHFFFAOYSA-N 1 0 387.506 -0.074 20 0 GBADRO CS(=O)(=O)C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000474967527 1073367515 /nfs/dbraw/zinc/36/75/15/1073367515.db2.gz BXOKKTKVKBTIRW-UHFFFAOYSA-N 1 0 386.518 -0.097 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000474968912 1073367342 /nfs/dbraw/zinc/36/73/42/1073367342.db2.gz OUFQTENQXBALBW-UHFFFAOYSA-N 1 0 386.474 -0.778 20 0 GBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000474976879 1073368085 /nfs/dbraw/zinc/36/80/85/1073368085.db2.gz YSOAPBVMFFSGHD-UHFFFAOYSA-N 1 0 397.497 -0.265 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000474987840 530419822 /nfs/dbraw/zinc/41/98/22/530419822.db2.gz DGLCJGNHDUPKJX-UHFFFAOYSA-N 1 0 375.223 -0.716 20 0 GBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060463 1073467262 /nfs/dbraw/zinc/46/72/62/1073467262.db2.gz DCIBSTIFYJGQKD-INIZCTEOSA-N 1 0 389.456 -0.644 20 0 GBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060469 1073466966 /nfs/dbraw/zinc/46/69/66/1073466966.db2.gz DCIBSTIFYJGQKD-MRXNPFEDSA-N 1 0 389.456 -0.644 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475106571 1073475292 /nfs/dbraw/zinc/47/52/92/1073475292.db2.gz JFLCGJKDSDOELF-UHFFFAOYSA-N 1 0 385.509 -0.859 20 0 GBADRO C[NH+]1CCC(CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475106839 1073475680 /nfs/dbraw/zinc/47/56/80/1073475680.db2.gz CZHCWWRHTRBJQR-UHFFFAOYSA-N 1 0 381.521 -0.096 20 0 GBADRO COCC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475131350 1073475336 /nfs/dbraw/zinc/47/53/36/1073475336.db2.gz RAXKKJOWGCWLAN-UHFFFAOYSA-N 1 0 397.520 -0.717 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000475141554 1073476652 /nfs/dbraw/zinc/47/66/52/1073476652.db2.gz WWSVJCKGUKTKHJ-KRWDZBQOSA-N 1 0 381.521 -0.096 20 0 GBADRO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000475141556 1073476297 /nfs/dbraw/zinc/47/62/97/1073476297.db2.gz WWSVJCKGUKTKHJ-QGZVFWFLSA-N 1 0 381.521 -0.096 20 0 GBADRO O=C(CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCOCC1 ZINC000475143787 1073477602 /nfs/dbraw/zinc/47/76/02/1073477602.db2.gz FPUSCYQIJJPQFD-INIZCTEOSA-N 1 0 379.505 -0.343 20 0 GBADRO O=C(CN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCOCC1 ZINC000475143788 1073477798 /nfs/dbraw/zinc/47/77/98/1073477798.db2.gz FPUSCYQIJJPQFD-MRXNPFEDSA-N 1 0 379.505 -0.343 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475144894 1073476370 /nfs/dbraw/zinc/47/63/70/1073476370.db2.gz OJCGUDAWGIHDEP-UHFFFAOYSA-N 1 0 385.509 -0.859 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)[NH+](C)C ZINC000475152501 1073477635 /nfs/dbraw/zinc/47/76/35/1073477635.db2.gz CGGWPKVRAGMIMK-BFHYXJOUSA-N 1 0 394.476 -0.476 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](C)C ZINC000475152503 1073477766 /nfs/dbraw/zinc/47/77/66/1073477766.db2.gz CGGWPKVRAGMIMK-MCIONIFRSA-N 1 0 394.476 -0.476 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](C)C ZINC000475152504 1073477427 /nfs/dbraw/zinc/47/74/27/1073477427.db2.gz CGGWPKVRAGMIMK-MELADBBJSA-N 1 0 394.476 -0.476 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)[NH+](C)C ZINC000475152506 1073477582 /nfs/dbraw/zinc/47/75/82/1073477582.db2.gz CGGWPKVRAGMIMK-MGPQQGTHSA-N 1 0 394.476 -0.476 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000475170945 1073478447 /nfs/dbraw/zinc/47/84/47/1073478447.db2.gz BLNLQHJIHFDTIW-UHFFFAOYSA-N 1 0 380.449 -0.814 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000475172355 1073478617 /nfs/dbraw/zinc/47/86/17/1073478617.db2.gz HKELBKTZOMLVIJ-LBPRGKRZSA-N 1 0 382.465 -0.424 20 0 GBADRO O=C(Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cn1)N1CCOCC1 ZINC000475176312 1073479004 /nfs/dbraw/zinc/47/90/04/1073479004.db2.gz UERVVLQGWUJANC-UHFFFAOYSA-N 1 0 392.460 -0.718 20 0 GBADRO O=C(Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cn1)N1CCOCC1 ZINC000475177181 1073478531 /nfs/dbraw/zinc/47/85/31/1073478531.db2.gz YEWIGXTZBNGKFW-UHFFFAOYSA-N 1 0 392.460 -0.718 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000475188830 1073480002 /nfs/dbraw/zinc/48/00/02/1073480002.db2.gz FHUKZFGOWGATBM-CYBMUJFWSA-N 1 0 378.477 -0.006 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000475188831 1073480054 /nfs/dbraw/zinc/48/00/54/1073480054.db2.gz FHUKZFGOWGATBM-ZDUSSCGKSA-N 1 0 378.477 -0.006 20 0 GBADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475191735 1073482154 /nfs/dbraw/zinc/48/21/54/1073482154.db2.gz DPHCTCFURAIFKN-UHFFFAOYSA-N 1 0 394.476 -0.473 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000475194254 1073482174 /nfs/dbraw/zinc/48/21/74/1073482174.db2.gz PUSHWJDKWBECJZ-AWEZNQCLSA-N 1 0 394.476 -0.568 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000475194282 1073481990 /nfs/dbraw/zinc/48/19/90/1073481990.db2.gz PUSHWJDKWBECJZ-CQSZACIVSA-N 1 0 394.476 -0.568 20 0 GBADRO COc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1C(N)=O ZINC000475227818 1073483961 /nfs/dbraw/zinc/48/39/61/1073483961.db2.gz ATPOTRPXZUYZNL-CYBMUJFWSA-N 1 0 393.444 -0.303 20 0 GBADRO COc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C(N)=O ZINC000475227822 1073484154 /nfs/dbraw/zinc/48/41/54/1073484154.db2.gz ATPOTRPXZUYZNL-ZDUSSCGKSA-N 1 0 393.444 -0.303 20 0 GBADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475250411 1073486020 /nfs/dbraw/zinc/48/60/20/1073486020.db2.gz ZQMJKRGETFVBHQ-UHFFFAOYSA-N 1 0 394.476 -0.472 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000475251828 1073484362 /nfs/dbraw/zinc/48/43/62/1073484362.db2.gz CLHQSKZTQZEJAO-GFCCVEGCSA-N 1 0 379.417 -0.645 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000475251829 1073484180 /nfs/dbraw/zinc/48/41/80/1073484180.db2.gz CLHQSKZTQZEJAO-LBPRGKRZSA-N 1 0 379.417 -0.645 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475251951 1073484354 /nfs/dbraw/zinc/48/43/54/1073484354.db2.gz FDVGQYXZKXOCCE-HNNXBMFYSA-N 1 0 392.460 -0.719 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475251952 1073484163 /nfs/dbraw/zinc/48/41/63/1073484163.db2.gz FDVGQYXZKXOCCE-OAHLLOKOSA-N 1 0 392.460 -0.719 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000475251964 1073483919 /nfs/dbraw/zinc/48/39/19/1073483919.db2.gz FHWLPVMSJHEKRY-UHFFFAOYSA-N 1 0 392.460 -0.719 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000475252004 1073484372 /nfs/dbraw/zinc/48/43/72/1073484372.db2.gz AKXRZTPRNIITHO-HNNXBMFYSA-N 1 0 392.460 -0.863 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000475252005 1073484173 /nfs/dbraw/zinc/48/41/73/1073484173.db2.gz AKXRZTPRNIITHO-OAHLLOKOSA-N 1 0 392.460 -0.863 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475252263 1073484292 /nfs/dbraw/zinc/48/42/92/1073484292.db2.gz HZOGIPIKZJKNFG-BETUJISGSA-N 1 0 380.449 -0.865 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000475252264 1073483872 /nfs/dbraw/zinc/48/38/72/1073483872.db2.gz HZOGIPIKZJKNFG-CHWSQXEVSA-N 1 0 380.449 -0.865 20 0 GBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC[NH+](C)C)cn2)C[C@H](C)O1 ZINC000475252265 1073484007 /nfs/dbraw/zinc/48/40/07/1073484007.db2.gz HZOGIPIKZJKNFG-STQMWFEESA-N 1 0 380.449 -0.865 20 0 GBADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475252927 1073484284 /nfs/dbraw/zinc/48/42/84/1073484284.db2.gz LHVQYKFXNLBQQQ-UHFFFAOYSA-N 1 0 394.476 -0.616 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000475253265 1073484128 /nfs/dbraw/zinc/48/41/28/1073484128.db2.gz MNQDJLMVHPEZHX-AWEZNQCLSA-N 1 0 380.449 -0.815 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000475253266 1073484911 /nfs/dbraw/zinc/48/49/11/1073484911.db2.gz MNQDJLMVHPEZHX-CQSZACIVSA-N 1 0 380.449 -0.815 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)C ZINC000475253772 1073485061 /nfs/dbraw/zinc/48/50/61/1073485061.db2.gz FLELFKQXTKRTSW-UHFFFAOYSA-N 1 0 394.476 -0.473 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475254304 1073485095 /nfs/dbraw/zinc/48/50/95/1073485095.db2.gz PEGNVTXOWXDTLD-UHFFFAOYSA-N 1 0 380.449 -0.863 20 0 GBADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000475255080 1073485215 /nfs/dbraw/zinc/48/52/15/1073485215.db2.gz RTEKPAXKKNUHSX-AYOQOUSVSA-N 1 0 377.485 -0.049 20 0 GBADRO COc1ncc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1C(N)=O ZINC000475255447 1073484851 /nfs/dbraw/zinc/48/48/51/1073484851.db2.gz NTUGWHBHWSOIOO-UHFFFAOYSA-N 1 0 393.444 -0.303 20 0 GBADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475256254 1073485035 /nfs/dbraw/zinc/48/50/35/1073485035.db2.gz MQTFXLNDNIWOFO-UHFFFAOYSA-N 1 0 380.449 -0.862 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000475256891 1073485282 /nfs/dbraw/zinc/48/52/82/1073485282.db2.gz RKMOFHLNLIQHJS-CYBMUJFWSA-N 1 0 392.460 -0.721 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000475256913 1073485183 /nfs/dbraw/zinc/48/51/83/1073485183.db2.gz RKMOFHLNLIQHJS-ZDUSSCGKSA-N 1 0 392.460 -0.721 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000475258898 1073486085 /nfs/dbraw/zinc/48/60/85/1073486085.db2.gz HQHACIHDDQJKEB-UHFFFAOYSA-N 1 0 398.414 -0.147 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000475260541 1073487226 /nfs/dbraw/zinc/48/72/26/1073487226.db2.gz BQYNRUWKIWAWNA-AWEZNQCLSA-N 1 0 378.477 -0.004 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000475260542 1073487302 /nfs/dbraw/zinc/48/73/02/1073487302.db2.gz BQYNRUWKIWAWNA-CQSZACIVSA-N 1 0 378.477 -0.004 20 0 GBADRO COc1ncc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1C(N)=O ZINC000475266510 1073486110 /nfs/dbraw/zinc/48/61/10/1073486110.db2.gz RWGHWBICWNZSGW-CYBMUJFWSA-N 1 0 393.444 -0.663 20 0 GBADRO COc1ncc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1C(N)=O ZINC000475266512 1073486057 /nfs/dbraw/zinc/48/60/57/1073486057.db2.gz RWGHWBICWNZSGW-ZDUSSCGKSA-N 1 0 393.444 -0.663 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000475269741 1073488061 /nfs/dbraw/zinc/48/80/61/1073488061.db2.gz OYQFSQUFEBLAGN-UHFFFAOYSA-N 1 0 378.433 -0.866 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCSC1 ZINC000475279856 1073487936 /nfs/dbraw/zinc/48/79/36/1073487936.db2.gz ORSOFEBESRGCCG-GOSISDBHSA-N 1 0 399.561 -0.390 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCSC1 ZINC000475279857 1073488179 /nfs/dbraw/zinc/48/81/79/1073488179.db2.gz ORSOFEBESRGCCG-SFHVURJKSA-N 1 0 399.561 -0.390 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cn(C)nc2OC)CC1 ZINC000475287327 1073487841 /nfs/dbraw/zinc/48/78/41/1073487841.db2.gz NEODTLMBHUVLCW-UHFFFAOYSA-N 1 0 380.449 -0.620 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000475298017 1073488747 /nfs/dbraw/zinc/48/87/47/1073488747.db2.gz OSMJWIOWLDHMJG-CYBMUJFWSA-N 1 0 378.433 -0.868 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000475298018 1073488916 /nfs/dbraw/zinc/48/89/16/1073488916.db2.gz OSMJWIOWLDHMJG-ZDUSSCGKSA-N 1 0 378.433 -0.868 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000475306659 1073488959 /nfs/dbraw/zinc/48/89/59/1073488959.db2.gz UBPUYKKBVMFMGM-CYBMUJFWSA-N 1 0 380.449 -0.574 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000475306660 1073489098 /nfs/dbraw/zinc/48/90/98/1073489098.db2.gz UBPUYKKBVMFMGM-ZDUSSCGKSA-N 1 0 380.449 -0.574 20 0 GBADRO COC(=O)CN1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000475310208 1073488791 /nfs/dbraw/zinc/48/87/91/1073488791.db2.gz BHILARCQUABNNZ-UHFFFAOYSA-N 1 0 375.473 -0.089 20 0 GBADRO COC(=O)CN1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000475339761 1073489828 /nfs/dbraw/zinc/48/98/28/1073489828.db2.gz ZTXXYYCRJAURIQ-UHFFFAOYSA-N 1 0 376.461 -0.694 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1=O ZINC000475348517 1073490040 /nfs/dbraw/zinc/49/00/40/1073490040.db2.gz UZZYFCAYJDICLS-KBPBESRZSA-N 1 0 393.440 -0.319 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1=O ZINC000475348518 1073489876 /nfs/dbraw/zinc/48/98/76/1073489876.db2.gz UZZYFCAYJDICLS-KGLIPLIRSA-N 1 0 393.440 -0.319 20 0 GBADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475380977 1073491079 /nfs/dbraw/zinc/49/10/79/1073491079.db2.gz KXWGOSBYLMXRFY-UHFFFAOYSA-N 1 0 380.449 -0.863 20 0 GBADRO COc1ncc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C(N)=O ZINC000475383187 1073490665 /nfs/dbraw/zinc/49/06/65/1073490665.db2.gz YMWUUAVBIVZCEQ-CYBMUJFWSA-N 1 0 393.444 -0.399 20 0 GBADRO COc1ncc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1C(N)=O ZINC000475383188 1073491087 /nfs/dbraw/zinc/49/10/87/1073491087.db2.gz YMWUUAVBIVZCEQ-ZDUSSCGKSA-N 1 0 393.444 -0.399 20 0 GBADRO COc1nn(C)cc1NC(=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000475385051 1073491126 /nfs/dbraw/zinc/49/11/26/1073491126.db2.gz BYIAPDJCAFIVKM-OAHLLOKOSA-N 1 0 387.440 -0.097 20 0 GBADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000475393677 530420218 /nfs/dbraw/zinc/42/02/18/530420218.db2.gz QRXGJAFTZRTERQ-AWEZNQCLSA-N 1 0 376.523 -0.126 20 0 GBADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000475393683 530420264 /nfs/dbraw/zinc/42/02/64/530420264.db2.gz QRXGJAFTZRTERQ-CQSZACIVSA-N 1 0 376.523 -0.126 20 0 GBADRO COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000475436892 1073494783 /nfs/dbraw/zinc/49/47/83/1073494783.db2.gz DWLYAXVVIPJUMB-UHFFFAOYSA-N 1 0 386.412 -0.087 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC1 ZINC000475442281 1073498635 /nfs/dbraw/zinc/49/86/35/1073498635.db2.gz BYHAHUVFEIWSES-INIZCTEOSA-N 1 0 378.477 -0.390 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC1 ZINC000475442295 1073498992 /nfs/dbraw/zinc/49/89/92/1073498992.db2.gz BYHAHUVFEIWSES-MRXNPFEDSA-N 1 0 378.477 -0.390 20 0 GBADRO O=C(Cn1cc(NC(=O)NCC2CC[NH+](CCO)CC2)cn1)N1CCOCC1 ZINC000475573258 1073519291 /nfs/dbraw/zinc/51/92/91/1073519291.db2.gz LGUXDVZFDPAYAG-UHFFFAOYSA-N 1 0 394.476 -0.432 20 0 GBADRO COCCC(=O)N1CCN(CC(C)C[NH+]2CCN(C(=O)CCOC)CC2)CC1 ZINC000475654186 1073683169 /nfs/dbraw/zinc/68/31/69/1073683169.db2.gz XMUCTGVRKXNJAS-UHFFFAOYSA-N 1 0 398.548 -0.016 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000475691372 1073838646 /nfs/dbraw/zinc/83/86/46/1073838646.db2.gz YDJXKCWALMRTBR-DZGCQCFKSA-N 1 0 394.476 -0.427 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000475691378 1073839247 /nfs/dbraw/zinc/83/92/47/1073839247.db2.gz YDJXKCWALMRTBR-HIFRSBDPSA-N 1 0 394.476 -0.427 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000475691380 1073838961 /nfs/dbraw/zinc/83/89/61/1073838961.db2.gz YDJXKCWALMRTBR-UKRRQHHQSA-N 1 0 394.476 -0.427 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000475691383 1073838971 /nfs/dbraw/zinc/83/89/71/1073838971.db2.gz YDJXKCWALMRTBR-ZFWWWQNUSA-N 1 0 394.476 -0.427 20 0 GBADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000475738860 1073864096 /nfs/dbraw/zinc/86/40/96/1073864096.db2.gz RNWQLMJLHSXPNT-DZGCQCFKSA-N 1 0 396.469 -0.135 20 0 GBADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000475738861 1073864242 /nfs/dbraw/zinc/86/42/42/1073864242.db2.gz RNWQLMJLHSXPNT-HIFRSBDPSA-N 1 0 396.469 -0.135 20 0 GBADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000475738862 1073864145 /nfs/dbraw/zinc/86/41/45/1073864145.db2.gz RNWQLMJLHSXPNT-UKRRQHHQSA-N 1 0 396.469 -0.135 20 0 GBADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000475738863 1073864182 /nfs/dbraw/zinc/86/41/82/1073864182.db2.gz RNWQLMJLHSXPNT-ZFWWWQNUSA-N 1 0 396.469 -0.135 20 0 GBADRO COCCCS(=O)(=O)NCC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000475757507 530420523 /nfs/dbraw/zinc/42/05/23/530420523.db2.gz JVEXOTASDCEFEX-UHFFFAOYSA-N 1 0 377.507 -0.487 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000475780122 1073884982 /nfs/dbraw/zinc/88/49/82/1073884982.db2.gz NZSWFXQGNXUNCQ-INIZCTEOSA-N 1 0 396.513 -0.065 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000475780133 1073885236 /nfs/dbraw/zinc/88/52/36/1073885236.db2.gz NZSWFXQGNXUNCQ-MRXNPFEDSA-N 1 0 396.513 -0.065 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000475786422 1073886525 /nfs/dbraw/zinc/88/65/25/1073886525.db2.gz BUEMZUDSWCHIAE-CYBMUJFWSA-N 1 0 379.465 -0.320 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000475786435 1073886219 /nfs/dbraw/zinc/88/62/19/1073886219.db2.gz BUEMZUDSWCHIAE-ZDUSSCGKSA-N 1 0 379.465 -0.320 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000475825424 1073895338 /nfs/dbraw/zinc/89/53/38/1073895338.db2.gz GWWYJGYTOHAMPX-UHFFFAOYSA-N 1 0 393.492 -0.011 20 0 GBADRO CN(C)C(=O)Cn1cnc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000475862354 1073932513 /nfs/dbraw/zinc/93/25/13/1073932513.db2.gz GOLDEAVDKZLXHA-UHFFFAOYSA-N 1 0 380.497 -0.144 20 0 GBADRO COCCCS(=O)(=O)NCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000475880469 530420616 /nfs/dbraw/zinc/42/06/16/530420616.db2.gz GNPOZEQUSKNOAL-UHFFFAOYSA-N 1 0 376.523 -0.818 20 0 GBADRO CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000476022334 530420745 /nfs/dbraw/zinc/42/07/45/530420745.db2.gz LTXJMZKBNFXMGD-UHFFFAOYSA-N 1 0 377.511 -0.769 20 0 GBADRO CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000476129781 530420960 /nfs/dbraw/zinc/42/09/60/530420960.db2.gz CADFNLMRMIBENL-UHFFFAOYSA-N 1 0 390.535 -0.287 20 0 GBADRO NS(=O)(=O)c1ccc(CNC(=O)NCC2CC[NH+](CCO)CC2)s1 ZINC000476298589 530421002 /nfs/dbraw/zinc/42/10/02/530421002.db2.gz VPAXQCLSWNKXJW-UHFFFAOYSA-N 1 0 376.504 -0.101 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000476480001 530421414 /nfs/dbraw/zinc/42/14/14/530421414.db2.gz CFVBPSKKRIFPGN-IHRRRGAJSA-N 1 0 375.491 -0.623 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000476480005 530421226 /nfs/dbraw/zinc/42/12/26/530421226.db2.gz CFVBPSKKRIFPGN-MCIONIFRSA-N 1 0 375.491 -0.623 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC000476480006 530421351 /nfs/dbraw/zinc/42/13/51/530421351.db2.gz CFVBPSKKRIFPGN-MJBXVCDLSA-N 1 0 375.491 -0.623 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000476480008 530421173 /nfs/dbraw/zinc/42/11/73/530421173.db2.gz CFVBPSKKRIFPGN-RDBSUJKOSA-N 1 0 375.491 -0.623 20 0 GBADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000476567981 530421163 /nfs/dbraw/zinc/42/11/63/530421163.db2.gz OHZMXLMFOMGTAY-AWEZNQCLSA-N 1 0 376.523 -0.523 20 0 GBADRO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000476567982 530421229 /nfs/dbraw/zinc/42/12/29/530421229.db2.gz OHZMXLMFOMGTAY-CQSZACIVSA-N 1 0 376.523 -0.523 20 0 GBADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000476792034 530421589 /nfs/dbraw/zinc/42/15/89/530421589.db2.gz QBOFILDAIGZQAX-KBPBESRZSA-N 1 0 376.523 -0.381 20 0 GBADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000476792035 530421514 /nfs/dbraw/zinc/42/15/14/530421514.db2.gz QBOFILDAIGZQAX-KGLIPLIRSA-N 1 0 376.523 -0.381 20 0 GBADRO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000476792036 530421574 /nfs/dbraw/zinc/42/15/74/530421574.db2.gz QBOFILDAIGZQAX-UONOGXRCSA-N 1 0 376.523 -0.381 20 0 GBADRO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000476792037 530421469 /nfs/dbraw/zinc/42/14/69/530421469.db2.gz QBOFILDAIGZQAX-ZIAGYGMSSA-N 1 0 376.523 -0.381 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)NCC1CC[NH+](CCO)CC1 ZINC000477093137 530422429 /nfs/dbraw/zinc/42/24/29/530422429.db2.gz PYXPPPNCAFTEMH-UHFFFAOYSA-N 1 0 376.523 -0.291 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000477100056 530173727 /nfs/dbraw/zinc/17/37/27/530173727.db2.gz MPWPRNKHFPFAPF-KBPBESRZSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000477100062 530173752 /nfs/dbraw/zinc/17/37/52/530173752.db2.gz MPWPRNKHFPFAPF-KGLIPLIRSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000477100064 530173392 /nfs/dbraw/zinc/17/33/92/530173392.db2.gz MPWPRNKHFPFAPF-UONOGXRCSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000477100066 530173743 /nfs/dbraw/zinc/17/37/43/530173743.db2.gz MPWPRNKHFPFAPF-ZIAGYGMSSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477102254 530173930 /nfs/dbraw/zinc/17/39/30/530173930.db2.gz SIDGBGGKWRPLKR-CYBMUJFWSA-N 1 0 394.563 -0.672 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477102255 530174304 /nfs/dbraw/zinc/17/43/04/530174304.db2.gz SIDGBGGKWRPLKR-ZDUSSCGKSA-N 1 0 394.563 -0.672 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000477108251 530174452 /nfs/dbraw/zinc/17/44/52/530174452.db2.gz QDJCPNHEZNFJSS-KBPBESRZSA-N 1 0 376.523 -0.238 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000477108255 530174344 /nfs/dbraw/zinc/17/43/44/530174344.db2.gz QDJCPNHEZNFJSS-KGLIPLIRSA-N 1 0 376.523 -0.238 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000477108258 530174271 /nfs/dbraw/zinc/17/42/71/530174271.db2.gz QDJCPNHEZNFJSS-UONOGXRCSA-N 1 0 376.523 -0.238 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000477108259 530174233 /nfs/dbraw/zinc/17/42/33/530174233.db2.gz QDJCPNHEZNFJSS-ZIAGYGMSSA-N 1 0 376.523 -0.238 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477109355 530422416 /nfs/dbraw/zinc/42/24/16/530422416.db2.gz PBUORZUSBBUHKD-AWEZNQCLSA-N 1 0 394.563 -0.225 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000477109356 530422165 /nfs/dbraw/zinc/42/21/65/530422165.db2.gz PBUORZUSBBUHKD-CQSZACIVSA-N 1 0 394.563 -0.225 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)NCC1CC[NH+](CCO)CC1 ZINC000477136103 530422370 /nfs/dbraw/zinc/42/23/70/530422370.db2.gz JUYMAKUAQLWAJZ-UHFFFAOYSA-N 1 0 394.563 -0.632 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477213615 530422362 /nfs/dbraw/zinc/42/23/62/530422362.db2.gz GUGXEDHSULBZQR-GASCZTMLSA-N 1 0 379.523 -0.054 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477213620 530422754 /nfs/dbraw/zinc/42/27/54/530422754.db2.gz GUGXEDHSULBZQR-GJZGRUSLSA-N 1 0 379.523 -0.054 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477213623 530422736 /nfs/dbraw/zinc/42/27/36/530422736.db2.gz GUGXEDHSULBZQR-HUUCEWRRSA-N 1 0 379.523 -0.054 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000477216241 530422605 /nfs/dbraw/zinc/42/26/05/530422605.db2.gz NHXSEZKBTVUNDQ-HNNXBMFYSA-N 1 0 379.523 -0.196 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000477216243 530422710 /nfs/dbraw/zinc/42/27/10/530422710.db2.gz NHXSEZKBTVUNDQ-OAHLLOKOSA-N 1 0 379.523 -0.196 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]C(C)(C)C2)s1 ZINC000477335332 530422536 /nfs/dbraw/zinc/42/25/36/530422536.db2.gz YXZCYHYASBRSTL-UHFFFAOYSA-N 1 0 388.515 -0.127 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477451302 530422623 /nfs/dbraw/zinc/42/26/23/530422623.db2.gz AQUBSBODGAAVJB-HNNXBMFYSA-N 1 0 378.539 -0.527 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNC(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000477451314 530422546 /nfs/dbraw/zinc/42/25/46/530422546.db2.gz AQUBSBODGAAVJB-OAHLLOKOSA-N 1 0 378.539 -0.527 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000477469747 530422748 /nfs/dbraw/zinc/42/27/48/530422748.db2.gz QQLYAJYBCXSVIU-UHFFFAOYSA-N 1 0 385.552 -0.577 20 0 GBADRO COCn1nccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000477469920 530422687 /nfs/dbraw/zinc/42/26/87/530422687.db2.gz JNHGQOUJDUJZOR-ZDUSSCGKSA-N 1 0 375.495 -0.142 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000477472709 530423144 /nfs/dbraw/zinc/42/31/44/530423144.db2.gz BQVCAXGATLNCIH-HNNXBMFYSA-N 1 0 378.539 -0.670 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000477472755 530423078 /nfs/dbraw/zinc/42/30/78/530423078.db2.gz BQVCAXGATLNCIH-OAHLLOKOSA-N 1 0 378.539 -0.670 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000477472842 530423244 /nfs/dbraw/zinc/42/32/44/530423244.db2.gz GLNIRJKEUZIJPE-UHFFFAOYSA-N 1 0 378.539 -0.573 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000477481477 530423238 /nfs/dbraw/zinc/42/32/38/530423238.db2.gz FNBBUSRMUSBTPX-LLVKDONJSA-N 1 0 378.520 -0.131 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000477481482 530422952 /nfs/dbraw/zinc/42/29/52/530422952.db2.gz FNBBUSRMUSBTPX-NSHDSACASA-N 1 0 378.520 -0.131 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000477483295 530423055 /nfs/dbraw/zinc/42/30/55/530423055.db2.gz VKKUEZPLLQFGCT-UHFFFAOYSA-N 1 0 379.523 -0.100 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000477513301 530423130 /nfs/dbraw/zinc/42/31/30/530423130.db2.gz HHJIDDPUPYXFMH-UHFFFAOYSA-N 1 0 393.535 -0.673 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000477513599 530423251 /nfs/dbraw/zinc/42/32/51/530423251.db2.gz BVPSRESMXCZDGQ-UHFFFAOYSA-N 1 0 393.535 -0.625 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477533307 530423217 /nfs/dbraw/zinc/42/32/17/530423217.db2.gz WDRIAVNQCPFUGF-UHFFFAOYSA-N 1 0 397.563 -0.168 20 0 GBADRO COC[C@](C)(NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(=O)OC ZINC000477559488 530423552 /nfs/dbraw/zinc/42/35/52/530423552.db2.gz NNRNFGSQAMFIFZ-HNNXBMFYSA-N 1 0 376.479 -0.082 20 0 GBADRO COC[C@@](C)(NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(=O)OC ZINC000477559491 530423370 /nfs/dbraw/zinc/42/33/70/530423370.db2.gz NNRNFGSQAMFIFZ-OAHLLOKOSA-N 1 0 376.479 -0.082 20 0 GBADRO COCCC[N@H+](C)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477578167 530423384 /nfs/dbraw/zinc/42/33/84/530423384.db2.gz RXXHXKJVJJIBPD-UHFFFAOYSA-N 1 0 385.552 -0.454 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000477579966 530423575 /nfs/dbraw/zinc/42/35/75/530423575.db2.gz OOLYVSPNEQWJSF-CYBMUJFWSA-N 1 0 393.535 -0.626 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000477579969 530423393 /nfs/dbraw/zinc/42/33/93/530423393.db2.gz OOLYVSPNEQWJSF-ZDUSSCGKSA-N 1 0 393.535 -0.626 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000477588800 530423496 /nfs/dbraw/zinc/42/34/96/530423496.db2.gz IPLXRFNABRNHJG-UHFFFAOYSA-N 1 0 385.552 -0.624 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000477599855 530423425 /nfs/dbraw/zinc/42/34/25/530423425.db2.gz RCOMRWOUJDCXCX-UHFFFAOYSA-N 1 0 384.568 -0.787 20 0 GBADRO COCCN(CC(=O)OC)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477602942 530423457 /nfs/dbraw/zinc/42/34/57/530423457.db2.gz NLUGSINZGGQNQY-UHFFFAOYSA-N 1 0 376.479 -0.128 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000477663634 530423590 /nfs/dbraw/zinc/42/35/90/530423590.db2.gz IARPBSXUYSLMQB-AWEZNQCLSA-N 1 0 377.507 -0.049 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 ZINC000477663635 530423515 /nfs/dbraw/zinc/42/35/15/530423515.db2.gz IARPBSXUYSLMQB-CQSZACIVSA-N 1 0 377.507 -0.049 20 0 GBADRO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000477771339 530423753 /nfs/dbraw/zinc/42/37/53/530423753.db2.gz OHJBZPWIAAMMGI-UHFFFAOYSA-N 1 0 376.523 -0.282 20 0 GBADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000478030815 530424068 /nfs/dbraw/zinc/42/40/68/530424068.db2.gz ZNFVNKLEBWFMOF-ZWNOBZJWSA-N 1 0 375.397 -0.480 20 0 GBADRO CNS(=O)(=O)CCCN1CC[N@H+](CCCS(=O)(=O)NC)CC1(C)C ZINC000478052544 530423896 /nfs/dbraw/zinc/42/38/96/530423896.db2.gz GWZMVXCARVBWMG-UHFFFAOYSA-N 1 0 384.568 -0.739 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000478221378 530423952 /nfs/dbraw/zinc/42/39/52/530423952.db2.gz BBSHOCRHGBUWJJ-KBPBESRZSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000478221391 530423984 /nfs/dbraw/zinc/42/39/84/530423984.db2.gz BBSHOCRHGBUWJJ-KGLIPLIRSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000478221392 530424079 /nfs/dbraw/zinc/42/40/79/530424079.db2.gz BBSHOCRHGBUWJJ-UONOGXRCSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000478221395 530424052 /nfs/dbraw/zinc/42/40/52/530424052.db2.gz BBSHOCRHGBUWJJ-ZIAGYGMSSA-N 1 0 376.523 -0.103 20 0 GBADRO [NH3+]C[C@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000478263226 530424004 /nfs/dbraw/zinc/42/40/04/530424004.db2.gz VHEDBAGMDCMRMN-KBPBESRZSA-N 1 0 387.527 -0.077 20 0 GBADRO [NH3+]C[C@H]1CN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000478263227 530423761 /nfs/dbraw/zinc/42/37/61/530423761.db2.gz VHEDBAGMDCMRMN-KGLIPLIRSA-N 1 0 387.527 -0.077 20 0 GBADRO [NH3+]C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000478263228 530424006 /nfs/dbraw/zinc/42/40/06/530424006.db2.gz VHEDBAGMDCMRMN-UONOGXRCSA-N 1 0 387.527 -0.077 20 0 GBADRO [NH3+]C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000478263229 530423911 /nfs/dbraw/zinc/42/39/11/530423911.db2.gz VHEDBAGMDCMRMN-ZIAGYGMSSA-N 1 0 387.527 -0.077 20 0 GBADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 ZINC000478609868 530424355 /nfs/dbraw/zinc/42/43/55/530424355.db2.gz UBFXVESCPNHSNH-CYBMUJFWSA-N 1 0 389.499 -0.181 20 0 GBADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 ZINC000478609869 530424232 /nfs/dbraw/zinc/42/42/32/530424232.db2.gz UBFXVESCPNHSNH-ZDUSSCGKSA-N 1 0 389.499 -0.181 20 0 GBADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 ZINC000478634387 530424468 /nfs/dbraw/zinc/42/44/68/530424468.db2.gz VSVUYQRARRNAIB-CYBMUJFWSA-N 1 0 389.499 -0.181 20 0 GBADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 ZINC000478634388 530424278 /nfs/dbraw/zinc/42/42/78/530424278.db2.gz VSVUYQRARRNAIB-ZDUSSCGKSA-N 1 0 389.499 -0.181 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1C(=O)NCC(F)(F)F ZINC000478635949 530424301 /nfs/dbraw/zinc/42/43/01/530424301.db2.gz XDCCASNEYBXFLM-SECBINFHSA-N 1 0 384.380 -0.335 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1C(=O)NCC(F)(F)F ZINC000478635950 530424211 /nfs/dbraw/zinc/42/42/11/530424211.db2.gz XDCCASNEYBXFLM-VIFPVBQESA-N 1 0 384.380 -0.335 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000478714393 530424252 /nfs/dbraw/zinc/42/42/52/530424252.db2.gz PELMBBFUAHVFCO-LLVKDONJSA-N 1 0 375.472 -0.431 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000478714394 530424461 /nfs/dbraw/zinc/42/44/61/530424461.db2.gz PELMBBFUAHVFCO-NSHDSACASA-N 1 0 375.472 -0.431 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000478722556 530424260 /nfs/dbraw/zinc/42/42/60/530424260.db2.gz OFJFWCOZRVAVSA-GFCCVEGCSA-N 1 0 375.472 -0.431 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000478722557 530424312 /nfs/dbraw/zinc/42/43/12/530424312.db2.gz OFJFWCOZRVAVSA-LBPRGKRZSA-N 1 0 375.472 -0.431 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479274903 530424613 /nfs/dbraw/zinc/42/46/13/530424613.db2.gz AXKYEDYCZRSBMS-UHFFFAOYSA-N 1 0 376.504 -0.599 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1C ZINC000479287634 530424887 /nfs/dbraw/zinc/42/48/87/530424887.db2.gz SYDOXEANKCOYJX-UHFFFAOYSA-N 1 0 390.531 -0.571 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479290389 530424713 /nfs/dbraw/zinc/42/47/13/530424713.db2.gz XLKXHZOGJCEUGJ-CYBMUJFWSA-N 1 0 390.531 -0.211 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000479290391 530424842 /nfs/dbraw/zinc/42/48/42/530424842.db2.gz XLKXHZOGJCEUGJ-ZDUSSCGKSA-N 1 0 390.531 -0.211 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000479305266 530424673 /nfs/dbraw/zinc/42/46/73/530424673.db2.gz VPIIWHAUYPPDLF-UHFFFAOYSA-N 1 0 393.535 -0.769 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000479345978 530424773 /nfs/dbraw/zinc/42/47/73/530424773.db2.gz FXSKOUAPKBZIDK-SNVBAGLBSA-N 1 0 376.504 -0.223 20 0 GBADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000479767185 530424629 /nfs/dbraw/zinc/42/46/29/530424629.db2.gz AUCHPHHQYGVZBH-HAQNSBGRSA-N 1 0 375.472 -0.525 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000479885414 530425017 /nfs/dbraw/zinc/42/50/17/530425017.db2.gz LOSKKRFSUFYOQZ-CYBMUJFWSA-N 1 0 376.523 -0.427 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000479885440 530425250 /nfs/dbraw/zinc/42/52/50/530425250.db2.gz LOSKKRFSUFYOQZ-ZDUSSCGKSA-N 1 0 376.523 -0.427 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000479895969 530425059 /nfs/dbraw/zinc/42/50/59/530425059.db2.gz CJAALXIXJLWCTB-TXEJJXNPSA-N 1 0 386.499 -0.660 20 0 GBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000479925469 530425142 /nfs/dbraw/zinc/42/51/42/530425142.db2.gz OGTPKQKDPDATNA-HNNXBMFYSA-N 1 0 376.523 -0.788 20 0 GBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000479925473 530425025 /nfs/dbraw/zinc/42/50/25/530425025.db2.gz OGTPKQKDPDATNA-OAHLLOKOSA-N 1 0 376.523 -0.788 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)C(C)(C)C ZINC000479948351 530425268 /nfs/dbraw/zinc/42/52/68/530425268.db2.gz KVKAPSBJNHXDCJ-CYBMUJFWSA-N 1 0 376.523 -0.523 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)C(C)(C)C ZINC000479948352 530425352 /nfs/dbraw/zinc/42/53/52/530425352.db2.gz KVKAPSBJNHXDCJ-ZDUSSCGKSA-N 1 0 376.523 -0.523 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1C ZINC000480277139 530425772 /nfs/dbraw/zinc/42/57/72/530425772.db2.gz VZGUVUNHRSYJSI-AWEZNQCLSA-N 1 0 375.520 -0.440 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@]2([NH+](C)C)CCSC2)cn1C ZINC000480277141 530425673 /nfs/dbraw/zinc/42/56/73/530425673.db2.gz VZGUVUNHRSYJSI-CQSZACIVSA-N 1 0 375.520 -0.440 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000480279339 530425790 /nfs/dbraw/zinc/42/57/90/530425790.db2.gz CGGKKKSMEVFNRI-CYBMUJFWSA-N 1 0 378.520 -0.131 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000480279340 530425713 /nfs/dbraw/zinc/42/57/13/530425713.db2.gz CGGKKKSMEVFNRI-ZDUSSCGKSA-N 1 0 378.520 -0.131 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000480295022 530425740 /nfs/dbraw/zinc/42/57/40/530425740.db2.gz UOCFVHLYGZCHAM-AWEZNQCLSA-N 1 0 378.520 -0.083 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000480295023 530425481 /nfs/dbraw/zinc/42/54/81/530425481.db2.gz UOCFVHLYGZCHAM-CQSZACIVSA-N 1 0 378.520 -0.083 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000480332405 530425764 /nfs/dbraw/zinc/42/57/64/530425764.db2.gz IKWZJJKURINLIS-CYBMUJFWSA-N 1 0 393.535 -0.497 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000480332419 530425557 /nfs/dbraw/zinc/42/55/57/530425557.db2.gz IKWZJJKURINLIS-ZDUSSCGKSA-N 1 0 393.535 -0.497 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cn1C ZINC000480355529 530425769 /nfs/dbraw/zinc/42/57/69/530425769.db2.gz JZGXTRZSOOJTKR-HNNXBMFYSA-N 1 0 389.547 -0.050 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@]2([NH+](C)C)CCSC2)cn1C ZINC000480355533 530425647 /nfs/dbraw/zinc/42/56/47/530425647.db2.gz JZGXTRZSOOJTKR-OAHLLOKOSA-N 1 0 389.547 -0.050 20 0 GBADRO COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480355758 530425719 /nfs/dbraw/zinc/42/57/19/530425719.db2.gz MFLCHWHZUQEZTL-CYBMUJFWSA-N 1 0 376.479 -0.348 20 0 GBADRO COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480355759 530425541 /nfs/dbraw/zinc/42/55/41/530425541.db2.gz MFLCHWHZUQEZTL-ZDUSSCGKSA-N 1 0 376.479 -0.348 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)NC1CC1 ZINC000480454563 530425878 /nfs/dbraw/zinc/42/58/78/530425878.db2.gz IEMGVCNPTLNGQM-UHFFFAOYSA-N 1 0 393.535 -0.578 20 0 GBADRO CCS(=O)(=O)NCCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480470630 530425998 /nfs/dbraw/zinc/42/59/98/530425998.db2.gz FHWNKPNEOWJFKO-UHFFFAOYSA-N 1 0 381.524 -0.721 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCNS(C)(=O)=O ZINC000480481068 530425867 /nfs/dbraw/zinc/42/58/67/530425867.db2.gz UKTIVEPTDVZKFO-UHFFFAOYSA-N 1 0 381.524 -0.721 20 0 GBADRO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000480519671 530426509 /nfs/dbraw/zinc/42/65/09/530426509.db2.gz BHBYMNFPZXDUCU-BFHYXJOUSA-N 1 0 375.491 -0.165 20 0 GBADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480519694 530426596 /nfs/dbraw/zinc/42/65/96/530426596.db2.gz BHBYMNFPZXDUCU-MCIONIFRSA-N 1 0 375.491 -0.165 20 0 GBADRO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480519781 530426297 /nfs/dbraw/zinc/42/62/97/530426297.db2.gz BHBYMNFPZXDUCU-MGPQQGTHSA-N 1 0 375.491 -0.165 20 0 GBADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000480519782 530426424 /nfs/dbraw/zinc/42/64/24/530426424.db2.gz BHBYMNFPZXDUCU-MJBXVCDLSA-N 1 0 375.491 -0.165 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480523482 530426635 /nfs/dbraw/zinc/42/66/35/530426635.db2.gz HRQVSKFWGCSNFF-HNNXBMFYSA-N 1 0 397.563 -0.312 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480523483 530426584 /nfs/dbraw/zinc/42/65/84/530426584.db2.gz HRQVSKFWGCSNFF-OAHLLOKOSA-N 1 0 397.563 -0.312 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCS(=O)(=O)NC(C)C ZINC000480529689 530426445 /nfs/dbraw/zinc/42/64/45/530426445.db2.gz QFJKDCVYLBRYHL-UHFFFAOYSA-N 1 0 395.551 -0.332 20 0 GBADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480635993 530426327 /nfs/dbraw/zinc/42/63/27/530426327.db2.gz MQPQFSXNJKMWJK-UHFFFAOYSA-N 1 0 391.515 -0.048 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480637697 530426282 /nfs/dbraw/zinc/42/62/82/530426282.db2.gz PHRIZWLYTGLJEB-UHFFFAOYSA-N 1 0 390.531 -0.257 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000480645193 530426576 /nfs/dbraw/zinc/42/65/76/530426576.db2.gz WWYRGVNWOAOOHL-CYBMUJFWSA-N 1 0 378.520 -0.083 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000480645195 530426495 /nfs/dbraw/zinc/42/64/95/530426495.db2.gz WWYRGVNWOAOOHL-ZDUSSCGKSA-N 1 0 378.520 -0.083 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000480647638 530426483 /nfs/dbraw/zinc/42/64/83/530426483.db2.gz AMNDVZCTFOBNQH-LLVKDONJSA-N 1 0 378.520 -0.131 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000480647640 530426294 /nfs/dbraw/zinc/42/62/94/530426294.db2.gz AMNDVZCTFOBNQH-NSHDSACASA-N 1 0 378.520 -0.131 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000480652904 530426916 /nfs/dbraw/zinc/42/69/16/530426916.db2.gz NFDXHPGMZCEAMU-GFCCVEGCSA-N 1 0 377.488 -0.390 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000480652905 530427009 /nfs/dbraw/zinc/42/70/09/530427009.db2.gz NFDXHPGMZCEAMU-LBPRGKRZSA-N 1 0 377.488 -0.390 20 0 GBADRO C[NH+](C)C1(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC000480656578 530426754 /nfs/dbraw/zinc/42/67/54/530426754.db2.gz AMSVNMPNWIBDNF-UHFFFAOYSA-N 1 0 397.563 -0.312 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480657607 530426905 /nfs/dbraw/zinc/42/69/05/530426905.db2.gz IJOLBLITGQXETR-CYBMUJFWSA-N 1 0 391.515 -0.144 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480657613 530426870 /nfs/dbraw/zinc/42/68/70/530426870.db2.gz IJOLBLITGQXETR-ZDUSSCGKSA-N 1 0 391.515 -0.144 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cn1 ZINC000480662975 530426981 /nfs/dbraw/zinc/42/69/81/530426981.db2.gz KPKFFFAEZJLHNH-UHFFFAOYSA-N 1 0 377.488 -0.532 20 0 GBADRO COCCN([C@H](C)C(N)=O)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480669508 530427037 /nfs/dbraw/zinc/42/70/37/530427037.db2.gz XUJOGRLONJKFTD-CYBMUJFWSA-N 1 0 375.495 -0.428 20 0 GBADRO COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480669509 530426733 /nfs/dbraw/zinc/42/67/33/530426733.db2.gz XUJOGRLONJKFTD-ZDUSSCGKSA-N 1 0 375.495 -0.428 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1C ZINC000480682299 530427002 /nfs/dbraw/zinc/42/70/02/530427002.db2.gz NXRDKDLPUYIJKM-UHFFFAOYSA-N 1 0 391.515 -0.362 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000480694637 1073055357 /nfs/dbraw/zinc/05/53/57/1073055357.db2.gz BLHWXCLFQYZYEJ-UKRRQHHQSA-N 1 0 376.461 -0.179 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480803211 530427123 /nfs/dbraw/zinc/42/71/23/530427123.db2.gz KABVQOCRQMDTEB-HNNXBMFYSA-N 1 0 399.579 -0.066 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480803215 530427247 /nfs/dbraw/zinc/42/72/47/530427247.db2.gz KABVQOCRQMDTEB-OAHLLOKOSA-N 1 0 399.579 -0.066 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000480806782 530427270 /nfs/dbraw/zinc/42/72/70/530427270.db2.gz UKEZSBPQOWNDFZ-CYBMUJFWSA-N 1 0 378.520 -0.083 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCS1(=O)=O ZINC000480806785 530427300 /nfs/dbraw/zinc/42/73/00/530427300.db2.gz UKEZSBPQOWNDFZ-ZDUSSCGKSA-N 1 0 378.520 -0.083 20 0 GBADRO CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000480849359 530427238 /nfs/dbraw/zinc/42/72/38/530427238.db2.gz ZLAFRXYOMRDJGU-AWEZNQCLSA-N 1 0 375.491 -0.102 20 0 GBADRO CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000480849361 530427388 /nfs/dbraw/zinc/42/73/88/530427388.db2.gz ZLAFRXYOMRDJGU-CQSZACIVSA-N 1 0 375.491 -0.102 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000480872063 530427167 /nfs/dbraw/zinc/42/71/67/530427167.db2.gz AGYXYSHWJFNNKU-AWEZNQCLSA-N 1 0 377.488 -0.752 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000480872064 530427319 /nfs/dbraw/zinc/42/73/19/530427319.db2.gz AGYXYSHWJFNNKU-CQSZACIVSA-N 1 0 377.488 -0.752 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000480872762 530427788 /nfs/dbraw/zinc/42/77/88/530427788.db2.gz BVHNKQFWUWKWNZ-UHFFFAOYSA-N 1 0 379.504 -0.504 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000480872882 530427597 /nfs/dbraw/zinc/42/75/97/530427597.db2.gz ITEKBHGOMABYQB-GFCCVEGCSA-N 1 0 375.520 -0.347 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000480872903 530427559 /nfs/dbraw/zinc/42/75/59/530427559.db2.gz ITEKBHGOMABYQB-LBPRGKRZSA-N 1 0 375.520 -0.347 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000480875056 530427505 /nfs/dbraw/zinc/42/75/05/530427505.db2.gz RQEVSUIVZZKHMB-CYBMUJFWSA-N 1 0 393.535 -0.497 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000480875059 530427647 /nfs/dbraw/zinc/42/76/47/530427647.db2.gz RQEVSUIVZZKHMB-ZDUSSCGKSA-N 1 0 393.535 -0.497 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1C ZINC000480878861 530427547 /nfs/dbraw/zinc/42/75/47/530427547.db2.gz YQUWMADTXPRWNK-AWEZNQCLSA-N 1 0 379.504 -0.506 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1C ZINC000480878863 530427496 /nfs/dbraw/zinc/42/74/96/530427496.db2.gz YQUWMADTXPRWNK-CQSZACIVSA-N 1 0 379.504 -0.506 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000480891573 530427472 /nfs/dbraw/zinc/42/74/72/530427472.db2.gz WFIVFUSEMQLVEF-CYBMUJFWSA-N 1 0 394.519 -0.847 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000480891574 530427616 /nfs/dbraw/zinc/42/76/16/530427616.db2.gz WFIVFUSEMQLVEF-ZDUSSCGKSA-N 1 0 394.519 -0.847 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000480901825 530427668 /nfs/dbraw/zinc/42/76/68/530427668.db2.gz REFFFYVDHHDYJD-GFCCVEGCSA-N 1 0 379.508 -0.887 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000480901832 530427704 /nfs/dbraw/zinc/42/77/04/530427704.db2.gz REFFFYVDHHDYJD-LBPRGKRZSA-N 1 0 379.508 -0.887 20 0 GBADRO CC[NH+](CC)CCOCCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480902604 530427594 /nfs/dbraw/zinc/42/75/94/530427594.db2.gz TZTCXHZMLUAPCY-UHFFFAOYSA-N 1 0 399.579 -0.064 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1C ZINC000480911212 530427795 /nfs/dbraw/zinc/42/77/95/530427795.db2.gz PAALUWLVXQKBST-UHFFFAOYSA-N 1 0 379.504 -0.240 20 0 GBADRO CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480914270 530427730 /nfs/dbraw/zinc/42/77/30/530427730.db2.gz UWGOCIYPFFSAEK-HNNXBMFYSA-N 1 0 376.479 -0.346 20 0 GBADRO CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000480914273 530427610 /nfs/dbraw/zinc/42/76/10/530427610.db2.gz UWGOCIYPFFSAEK-OAHLLOKOSA-N 1 0 376.479 -0.346 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(S(C)(=O)=O)CC1 ZINC000480982999 530427944 /nfs/dbraw/zinc/42/79/44/530427944.db2.gz AEVUIUCBAYOGGV-UHFFFAOYSA-N 1 0 378.520 -0.083 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000481109042 530428391 /nfs/dbraw/zinc/42/83/91/530428391.db2.gz UJSNKEQVXHIMJV-UHFFFAOYSA-N 1 0 375.491 -0.197 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481182818 530428288 /nfs/dbraw/zinc/42/82/88/530428288.db2.gz ARNFBPCZJMNDBS-HNNXBMFYSA-N 1 0 394.563 -0.626 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481182821 530428296 /nfs/dbraw/zinc/42/82/96/530428296.db2.gz ARNFBPCZJMNDBS-OAHLLOKOSA-N 1 0 394.563 -0.626 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCSC1 ZINC000481190578 530428278 /nfs/dbraw/zinc/42/82/78/530428278.db2.gz LSMUMPLXXQHCKV-AWEZNQCLSA-N 1 0 390.487 -0.790 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCSC1 ZINC000481190579 530428260 /nfs/dbraw/zinc/42/82/60/530428260.db2.gz LSMUMPLXXQHCKV-CQSZACIVSA-N 1 0 390.487 -0.790 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290210 530428272 /nfs/dbraw/zinc/42/82/72/530428272.db2.gz JVAWCNDQORFOBG-DOMZBBRYSA-N 1 0 392.547 -0.584 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290219 530428863 /nfs/dbraw/zinc/42/88/63/530428863.db2.gz JVAWCNDQORFOBG-IUODEOHRSA-N 1 0 392.547 -0.584 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290222 530428890 /nfs/dbraw/zinc/42/88/90/530428890.db2.gz JVAWCNDQORFOBG-SWLSCSKDSA-N 1 0 392.547 -0.584 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000481290732 530428801 /nfs/dbraw/zinc/42/88/01/530428801.db2.gz JVAWCNDQORFOBG-WFASDCNBSA-N 1 0 392.547 -0.584 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000481476770 530428706 /nfs/dbraw/zinc/42/87/06/530428706.db2.gz VUEYCQWWQQTCGD-UHFFFAOYSA-N 1 0 392.503 -0.519 20 0 GBADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000481488843 530428901 /nfs/dbraw/zinc/42/89/01/530428901.db2.gz GDXNCFPWQULPKO-UHFFFAOYSA-N 1 0 377.488 -0.023 20 0 GBADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000481495862 530428973 /nfs/dbraw/zinc/42/89/73/530428973.db2.gz TZONKFQMSHMEPN-UHFFFAOYSA-N 1 0 390.487 -0.813 20 0 GBADRO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000481612616 530429136 /nfs/dbraw/zinc/42/91/36/530429136.db2.gz SIBWUZKJESFRTD-CYBMUJFWSA-N 1 0 376.523 -0.379 20 0 GBADRO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000481612617 530429128 /nfs/dbraw/zinc/42/91/28/530429128.db2.gz SIBWUZKJESFRTD-ZDUSSCGKSA-N 1 0 376.523 -0.379 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000481995683 530429260 /nfs/dbraw/zinc/42/92/60/530429260.db2.gz WQTVASVYHKHDHT-UHFFFAOYSA-N 1 0 378.539 -0.527 20 0 GBADRO COC(=O)CN1CCC([NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000482506916 530429923 /nfs/dbraw/zinc/42/99/23/530429923.db2.gz HQPTXJHDYCSDPM-UHFFFAOYSA-N 1 0 392.503 -0.338 20 0 GBADRO CNS(=O)(=O)c1csc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482542174 530429775 /nfs/dbraw/zinc/42/97/75/530429775.db2.gz YFAZXZXJZZSKHN-LLVKDONJSA-N 1 0 388.515 -0.027 20 0 GBADRO CNS(=O)(=O)c1csc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482542175 530429862 /nfs/dbraw/zinc/42/98/62/530429862.db2.gz YFAZXZXJZZSKHN-NSHDSACASA-N 1 0 388.515 -0.027 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000483198909 530430574 /nfs/dbraw/zinc/43/05/74/530430574.db2.gz NHTVUKKRTUCBBR-HNNXBMFYSA-N 1 0 379.523 -0.460 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000483198913 530430636 /nfs/dbraw/zinc/43/06/36/530430636.db2.gz NHTVUKKRTUCBBR-OAHLLOKOSA-N 1 0 379.523 -0.460 20 0 GBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483391081 530430535 /nfs/dbraw/zinc/43/05/35/530430535.db2.gz DCEBTKGIOKIGRV-KBPBESRZSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000483391082 530430495 /nfs/dbraw/zinc/43/04/95/530430495.db2.gz DCEBTKGIOKIGRV-KGLIPLIRSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483391083 530430628 /nfs/dbraw/zinc/43/06/28/530430628.db2.gz DCEBTKGIOKIGRV-UONOGXRCSA-N 1 0 387.531 -0.263 20 0 GBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000483391084 530430736 /nfs/dbraw/zinc/43/07/36/530430736.db2.gz DCEBTKGIOKIGRV-ZIAGYGMSSA-N 1 0 387.531 -0.263 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483409583 530430470 /nfs/dbraw/zinc/43/04/70/530430470.db2.gz UJOQAKIIKYXDQL-KBPBESRZSA-N 1 0 379.548 -0.020 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000483409597 530430600 /nfs/dbraw/zinc/43/06/00/530430600.db2.gz UJOQAKIIKYXDQL-KGLIPLIRSA-N 1 0 379.548 -0.020 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483409599 530430615 /nfs/dbraw/zinc/43/06/15/530430615.db2.gz UJOQAKIIKYXDQL-UONOGXRCSA-N 1 0 379.548 -0.020 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000483409601 530430582 /nfs/dbraw/zinc/43/05/82/530430582.db2.gz UJOQAKIIKYXDQL-ZIAGYGMSSA-N 1 0 379.548 -0.020 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000483914493 530431027 /nfs/dbraw/zinc/43/10/27/530431027.db2.gz RERYRCCAUSHMQG-LLVKDONJSA-N 1 0 386.499 -0.226 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000483914501 530430939 /nfs/dbraw/zinc/43/09/39/530430939.db2.gz RERYRCCAUSHMQG-NSHDSACASA-N 1 0 386.499 -0.226 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCSC1 ZINC000483965434 530430965 /nfs/dbraw/zinc/43/09/65/530430965.db2.gz XVATVNDGIJBWRW-HNNXBMFYSA-N 1 0 386.499 -0.023 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCSC1 ZINC000483965442 530431146 /nfs/dbraw/zinc/43/11/46/530431146.db2.gz XVATVNDGIJBWRW-OAHLLOKOSA-N 1 0 386.499 -0.023 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000484633902 530431382 /nfs/dbraw/zinc/43/13/82/530431382.db2.gz QEBUXDNMQMSUAB-QLFBSQMISA-N 1 0 378.491 -0.568 20 0 GBADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000484633958 530431350 /nfs/dbraw/zinc/43/13/50/530431350.db2.gz QEBUXDNMQMSUAB-RBSFLKMASA-N 1 0 378.491 -0.568 20 0 GBADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000484633961 530431296 /nfs/dbraw/zinc/43/12/96/530431296.db2.gz QEBUXDNMQMSUAB-RRFJBIMHSA-N 1 0 378.491 -0.568 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000484633963 530431473 /nfs/dbraw/zinc/43/14/73/530431473.db2.gz QEBUXDNMQMSUAB-SOUVJXGZSA-N 1 0 378.491 -0.568 20 0 GBADRO CS[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000484646202 530431545 /nfs/dbraw/zinc/43/15/45/530431545.db2.gz IBSAYIDNHRJMSY-CABCVRRESA-N 1 0 392.591 -0.104 20 0 GBADRO CS[C@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000484646210 530431306 /nfs/dbraw/zinc/43/13/06/530431306.db2.gz IBSAYIDNHRJMSY-GJZGRUSLSA-N 1 0 392.591 -0.104 20 0 GBADRO CS[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000484646211 530431406 /nfs/dbraw/zinc/43/14/06/530431406.db2.gz IBSAYIDNHRJMSY-HUUCEWRRSA-N 1 0 392.591 -0.104 20 0 GBADRO CS[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000484646212 530431435 /nfs/dbraw/zinc/43/14/35/530431435.db2.gz IBSAYIDNHRJMSY-LSDHHAIUSA-N 1 0 392.591 -0.104 20 0 GBADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648533 530431551 /nfs/dbraw/zinc/43/15/51/530431551.db2.gz KEOWCRHSVSKVPU-CABCVRRESA-N 1 0 379.523 -0.054 20 0 GBADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648535 530431385 /nfs/dbraw/zinc/43/13/85/530431385.db2.gz KEOWCRHSVSKVPU-GJZGRUSLSA-N 1 0 379.523 -0.054 20 0 GBADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648536 530431427 /nfs/dbraw/zinc/43/14/27/530431427.db2.gz KEOWCRHSVSKVPU-HUUCEWRRSA-N 1 0 379.523 -0.054 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000484648538 530431596 /nfs/dbraw/zinc/43/15/96/530431596.db2.gz KEOWCRHSVSKVPU-LSDHHAIUSA-N 1 0 379.523 -0.054 20 0 GBADRO CC(C)N(CCCNC(=O)C[N@H+](C)C1(CO)CCOCC1)S(C)(=O)=O ZINC000484652425 530431322 /nfs/dbraw/zinc/43/13/22/530431322.db2.gz JCGONDHVCGDQQA-UHFFFAOYSA-N 1 0 379.523 -0.364 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000484769092 530431496 /nfs/dbraw/zinc/43/14/96/530431496.db2.gz IRZCIEYGSYQFTJ-UHFFFAOYSA-N 1 0 376.523 -0.268 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000484775550 530431376 /nfs/dbraw/zinc/43/13/76/530431376.db2.gz LMIBOMSGZTZKKA-HNNXBMFYSA-N 1 0 376.523 -0.126 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000484775551 530431424 /nfs/dbraw/zinc/43/14/24/530431424.db2.gz LMIBOMSGZTZKKA-OAHLLOKOSA-N 1 0 376.523 -0.126 20 0 GBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000484781222 530431601 /nfs/dbraw/zinc/43/16/01/530431601.db2.gz GUVYJSNQEBNMPV-UHFFFAOYSA-N 1 0 390.531 -0.362 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000485398578 530432142 /nfs/dbraw/zinc/43/21/42/530432142.db2.gz LLDIDINMTKJKDN-CVEARBPZSA-N 1 0 375.535 -0.078 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000485398579 530432297 /nfs/dbraw/zinc/43/22/97/530432297.db2.gz LLDIDINMTKJKDN-HOTGVXAUSA-N 1 0 375.535 -0.078 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000485398580 530432226 /nfs/dbraw/zinc/43/22/26/530432226.db2.gz LLDIDINMTKJKDN-HZPDHXFCSA-N 1 0 375.535 -0.078 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000485398581 530432336 /nfs/dbraw/zinc/43/23/36/530432336.db2.gz LLDIDINMTKJKDN-JKSUJKDBSA-N 1 0 375.535 -0.078 20 0 GBADRO CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@H](C)C[S@@](C)=O)[nH+]1 ZINC000485992958 530432541 /nfs/dbraw/zinc/43/25/41/530432541.db2.gz VUGFHPBXSUDVRP-GQZKJDIASA-N 1 0 376.552 -0.258 20 0 GBADRO CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@](C)=O)[nH+]1 ZINC000485992961 530432747 /nfs/dbraw/zinc/43/27/47/530432747.db2.gz VUGFHPBXSUDVRP-IDVCGKOASA-N 1 0 376.552 -0.258 20 0 GBADRO CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@@H](C)C[S@@](C)=O)[nH+]1 ZINC000485992962 530432806 /nfs/dbraw/zinc/43/28/06/530432806.db2.gz VUGFHPBXSUDVRP-PFPGYTHDSA-N 1 0 376.552 -0.258 20 0 GBADRO CNc1nc(N(C)[C@H](C)C[S@](C)=O)nc(N(C)[C@H](C)C[S@](C)=O)[nH+]1 ZINC000485992963 530432697 /nfs/dbraw/zinc/43/26/97/530432697.db2.gz VUGFHPBXSUDVRP-WLLJGHGUSA-N 1 0 376.552 -0.258 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C(F)(F)F ZINC000486769589 530433768 /nfs/dbraw/zinc/43/37/68/530433768.db2.gz GMTDMHLELAQBMR-GXSJLCMTSA-N 1 0 376.401 -0.826 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C(F)(F)F ZINC000486769602 530433807 /nfs/dbraw/zinc/43/38/07/530433807.db2.gz GMTDMHLELAQBMR-KOLCDFICSA-N 1 0 376.401 -0.826 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C(F)(F)F ZINC000486769603 530433856 /nfs/dbraw/zinc/43/38/56/530433856.db2.gz GMTDMHLELAQBMR-MWLCHTKSSA-N 1 0 376.401 -0.826 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C(F)(F)F ZINC000486769604 530434057 /nfs/dbraw/zinc/43/40/57/530434057.db2.gz GMTDMHLELAQBMR-ONGXEEELSA-N 1 0 376.401 -0.826 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000486790352 530433944 /nfs/dbraw/zinc/43/39/44/530433944.db2.gz XUYUDDYAADGTMQ-HZSPNIEDSA-N 1 0 376.475 -0.326 20 0 GBADRO COC(=O)[C@H]1CC[C@@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000486790356 530433779 /nfs/dbraw/zinc/43/37/79/530433779.db2.gz XUYUDDYAADGTMQ-MELADBBJSA-N 1 0 376.475 -0.326 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C(F)(F)F ZINC000486834477 530434438 /nfs/dbraw/zinc/43/44/38/530434438.db2.gz FLQSDVXQOBCPCR-JTQLQIEISA-N 1 0 390.428 -0.435 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C(F)(F)F ZINC000486834484 530434164 /nfs/dbraw/zinc/43/41/64/530434164.db2.gz FLQSDVXQOBCPCR-SNVBAGLBSA-N 1 0 390.428 -0.435 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486858696 530434282 /nfs/dbraw/zinc/43/42/82/530434282.db2.gz CBPZRFBPXUITNZ-JTQLQIEISA-N 1 0 378.417 -0.578 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486858700 530434154 /nfs/dbraw/zinc/43/41/54/530434154.db2.gz CBPZRFBPXUITNZ-SNVBAGLBSA-N 1 0 378.417 -0.578 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000486861727 530434140 /nfs/dbraw/zinc/43/41/40/530434140.db2.gz LWNHXTVLOXSPOW-LLVKDONJSA-N 1 0 390.428 -0.170 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000486861728 530434409 /nfs/dbraw/zinc/43/44/09/530434409.db2.gz LWNHXTVLOXSPOW-NSHDSACASA-N 1 0 390.428 -0.170 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCCOCC[NH+](C)C)C(F)(F)F ZINC000486964405 530434688 /nfs/dbraw/zinc/43/46/88/530434688.db2.gz KNUOOUQDYWQLKD-JTQLQIEISA-N 1 0 378.417 -0.314 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCOCC[NH+](C)C)C(F)(F)F ZINC000486964407 530434669 /nfs/dbraw/zinc/43/46/69/530434669.db2.gz KNUOOUQDYWQLKD-SNVBAGLBSA-N 1 0 378.417 -0.314 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000486993651 530434720 /nfs/dbraw/zinc/43/47/20/530434720.db2.gz CSMAPXGKCYIQRF-UHFFFAOYSA-N 1 0 378.495 -0.788 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000486994370 530434662 /nfs/dbraw/zinc/43/46/62/530434662.db2.gz GELJDTUOFAXGGS-UHFFFAOYSA-N 1 0 378.495 -0.884 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000486995562 530434664 /nfs/dbraw/zinc/43/46/64/530434664.db2.gz HTMXDRILHOEKJG-CYBMUJFWSA-N 1 0 378.495 -0.742 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000486995563 530434586 /nfs/dbraw/zinc/43/45/86/530434586.db2.gz HTMXDRILHOEKJG-ZDUSSCGKSA-N 1 0 378.495 -0.742 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487419623 530435556 /nfs/dbraw/zinc/43/55/56/530435556.db2.gz ZWSZMDHYQPVVSZ-KBPBESRZSA-N 1 0 376.523 -0.191 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487419628 530435569 /nfs/dbraw/zinc/43/55/69/530435569.db2.gz ZWSZMDHYQPVVSZ-KGLIPLIRSA-N 1 0 376.523 -0.191 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487419629 530435643 /nfs/dbraw/zinc/43/56/43/530435643.db2.gz ZWSZMDHYQPVVSZ-UONOGXRCSA-N 1 0 376.523 -0.191 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487419631 530435641 /nfs/dbraw/zinc/43/56/41/530435641.db2.gz ZWSZMDHYQPVVSZ-ZIAGYGMSSA-N 1 0 376.523 -0.191 20 0 GBADRO CN(CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ncnc2nc[nH]c21 ZINC000487478551 1073504236 /nfs/dbraw/zinc/50/42/36/1073504236.db2.gz PKIGBUSFXHGMEY-UHFFFAOYSA-N 1 0 386.460 -0.444 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(S(N)(=O)=O)cn1C ZINC000487493977 1073518840 /nfs/dbraw/zinc/51/88/40/1073518840.db2.gz TYEKKALROLRNQJ-CYBMUJFWSA-N 1 0 384.502 -0.073 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(S(N)(=O)=O)cn1C ZINC000487517727 1073583755 /nfs/dbraw/zinc/58/37/55/1073583755.db2.gz TYEKKALROLRNQJ-ZDUSSCGKSA-N 1 0 384.502 -0.073 20 0 GBADRO CN(CC[NH+]1CCCC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000487527890 1073630134 /nfs/dbraw/zinc/63/01/34/1073630134.db2.gz HIMZTABETZMBSE-UHFFFAOYSA-N 1 0 382.442 -0.204 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000487532486 1073727721 /nfs/dbraw/zinc/72/77/21/1073727721.db2.gz CRAGWYGDEUJOAI-UHFFFAOYSA-N 1 0 388.424 -0.320 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000487564995 530436071 /nfs/dbraw/zinc/43/60/71/530436071.db2.gz OWBXSWZYLBMQHY-UHFFFAOYSA-N 1 0 375.491 -0.892 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487691916 530436002 /nfs/dbraw/zinc/43/60/02/530436002.db2.gz AQFFFIZQDQOYOT-CABCVRRESA-N 1 0 376.523 -0.009 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487691917 530435959 /nfs/dbraw/zinc/43/59/59/530435959.db2.gz AQFFFIZQDQOYOT-GJZGRUSLSA-N 1 0 376.523 -0.009 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487691918 530436041 /nfs/dbraw/zinc/43/60/41/530436041.db2.gz AQFFFIZQDQOYOT-HUUCEWRRSA-N 1 0 376.523 -0.009 20 0 GBADRO CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487691919 530436039 /nfs/dbraw/zinc/43/60/39/530436039.db2.gz AQFFFIZQDQOYOT-LSDHHAIUSA-N 1 0 376.523 -0.009 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487700488 530436056 /nfs/dbraw/zinc/43/60/56/530436056.db2.gz PDGVZHHTJROXIZ-CABCVRRESA-N 1 0 376.523 -0.007 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487700489 530435999 /nfs/dbraw/zinc/43/59/99/530435999.db2.gz PDGVZHHTJROXIZ-GJZGRUSLSA-N 1 0 376.523 -0.007 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487700490 530436081 /nfs/dbraw/zinc/43/60/81/530436081.db2.gz PDGVZHHTJROXIZ-HUUCEWRRSA-N 1 0 376.523 -0.007 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487700491 530436006 /nfs/dbraw/zinc/43/60/06/530436006.db2.gz PDGVZHHTJROXIZ-LSDHHAIUSA-N 1 0 376.523 -0.007 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000487981456 530436036 /nfs/dbraw/zinc/43/60/36/530436036.db2.gz ZZPSSZVFABILIE-CABCVRRESA-N 1 0 375.539 -0.407 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000487981457 530436086 /nfs/dbraw/zinc/43/60/86/530436086.db2.gz ZZPSSZVFABILIE-GJZGRUSLSA-N 1 0 375.539 -0.407 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000487981458 530436108 /nfs/dbraw/zinc/43/61/08/530436108.db2.gz ZZPSSZVFABILIE-HUUCEWRRSA-N 1 0 375.539 -0.407 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000487981459 530436715 /nfs/dbraw/zinc/43/67/15/530436715.db2.gz ZZPSSZVFABILIE-LSDHHAIUSA-N 1 0 375.539 -0.407 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000488135721 530436670 /nfs/dbraw/zinc/43/66/70/530436670.db2.gz FPRIVIKIKRQVEB-CHWSQXEVSA-N 1 0 375.495 -0.440 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000488135735 530436581 /nfs/dbraw/zinc/43/65/81/530436581.db2.gz FPRIVIKIKRQVEB-OLZOCXBDSA-N 1 0 375.495 -0.440 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000488135737 530436544 /nfs/dbraw/zinc/43/65/44/530436544.db2.gz FPRIVIKIKRQVEB-QWHCGFSZSA-N 1 0 375.495 -0.440 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000488135739 530436408 /nfs/dbraw/zinc/43/64/08/530436408.db2.gz FPRIVIKIKRQVEB-STQMWFEESA-N 1 0 375.495 -0.440 20 0 GBADRO CN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000488138023 530436416 /nfs/dbraw/zinc/43/64/16/530436416.db2.gz WGHZMGANHLVQAU-HNNXBMFYSA-N 1 0 375.539 -0.312 20 0 GBADRO CN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000488138024 530436409 /nfs/dbraw/zinc/43/64/09/530436409.db2.gz WGHZMGANHLVQAU-OAHLLOKOSA-N 1 0 375.539 -0.312 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000488181214 530436628 /nfs/dbraw/zinc/43/66/28/530436628.db2.gz JIYVZUSTLBTAIM-CYBMUJFWSA-N 1 0 375.495 -0.520 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000488181215 530436654 /nfs/dbraw/zinc/43/66/54/530436654.db2.gz JIYVZUSTLBTAIM-ZDUSSCGKSA-N 1 0 375.495 -0.520 20 0 GBADRO CC(C)[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000488685442 530436890 /nfs/dbraw/zinc/43/68/90/530436890.db2.gz 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382.552 -0.986 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCn1cc(Br)ccc1=O ZINC000495561003 530443354 /nfs/dbraw/zinc/44/33/54/530443354.db2.gz HAINGIWAFKOQBS-UHFFFAOYSA-N 1 0 385.262 -0.109 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000495564462 530443343 /nfs/dbraw/zinc/44/33/43/530443343.db2.gz UALSEKDTFDDADG-UHFFFAOYSA-N 1 0 388.515 -0.656 20 0 GBADRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C[C@H]1[NH+](C)C ZINC000495564635 530443429 /nfs/dbraw/zinc/44/34/29/530443429.db2.gz JZJAWIAYDKUWEB-CHWSQXEVSA-N 1 0 389.547 -0.099 20 0 GBADRO CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C[C@H]1[NH+](C)C ZINC000495564636 530443513 /nfs/dbraw/zinc/44/35/13/530443513.db2.gz JZJAWIAYDKUWEB-OLZOCXBDSA-N 1 0 389.547 -0.099 20 0 GBADRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C[C@@H]1[NH+](C)C ZINC000495564637 530443666 /nfs/dbraw/zinc/44/36/66/530443666.db2.gz JZJAWIAYDKUWEB-QWHCGFSZSA-N 1 0 389.547 -0.099 20 0 GBADRO 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1073332617 /nfs/dbraw/zinc/33/26/17/1073332617.db2.gz NHUXUEVDYQKEIF-UHFFFAOYSA-N 1 0 395.423 -0.607 20 0 GBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)CC1 ZINC000500281186 1073334074 /nfs/dbraw/zinc/33/40/74/1073334074.db2.gz XBDKJVJECBXGEM-UHFFFAOYSA-N 1 0 391.520 -0.340 20 0 GBADRO CN1CCC(CNC(=O)C(=O)NCCCn2ccnn2)([NH+]2CCCCC2)CC1 ZINC000500282043 1073333963 /nfs/dbraw/zinc/33/39/63/1073333963.db2.gz ZFZQURHGFSYMLA-UHFFFAOYSA-N 1 0 391.520 -0.149 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)CC1 ZINC000500282803 1073333627 /nfs/dbraw/zinc/33/36/27/1073333627.db2.gz UWQASMLYKPQRTN-UHFFFAOYSA-N 1 0 391.520 -0.199 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000500283198 1073333848 /nfs/dbraw/zinc/33/38/48/1073333848.db2.gz VUWFMYOBFJFUGY-UHFFFAOYSA-N 1 0 378.477 -0.112 20 0 GBADRO COC(=O)C1(NC(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283480 1073333648 /nfs/dbraw/zinc/33/36/48/1073333648.db2.gz BBPFCLXJHXEKOL-CYBMUJFWSA-N 1 0 390.506 -0.516 20 0 GBADRO COC(=O)C1(NC(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283486 1073333523 /nfs/dbraw/zinc/33/35/23/1073333523.db2.gz BBPFCLXJHXEKOL-ZDUSSCGKSA-N 1 0 390.506 -0.516 20 0 GBADRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500283978 1073333859 /nfs/dbraw/zinc/33/38/59/1073333859.db2.gz BQUDRNLUCUGCKX-KBPBESRZSA-N 1 0 390.506 -0.564 20 0 GBADRO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500283979 1073333706 /nfs/dbraw/zinc/33/37/06/1073333706.db2.gz BQUDRNLUCUGCKX-KGLIPLIRSA-N 1 0 390.506 -0.564 20 0 GBADRO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500283980 1073333987 /nfs/dbraw/zinc/33/39/87/1073333987.db2.gz BQUDRNLUCUGCKX-UONOGXRCSA-N 1 0 390.506 -0.564 20 0 GBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500284868 1073334096 /nfs/dbraw/zinc/33/40/96/1073334096.db2.gz CQDAGPRWCPXMTQ-INIZCTEOSA-N 1 0 377.493 -0.587 20 0 GBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500284871 1073334052 /nfs/dbraw/zinc/33/40/52/1073334052.db2.gz CQDAGPRWCPXMTQ-MRXNPFEDSA-N 1 0 377.493 -0.587 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000500285386 1073334406 /nfs/dbraw/zinc/33/44/06/1073334406.db2.gz DYINIDALDOMYBU-KRWDZBQOSA-N 1 0 386.456 -0.333 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000500285387 1073334812 /nfs/dbraw/zinc/33/48/12/1073334812.db2.gz DYINIDALDOMYBU-QGZVFWFLSA-N 1 0 386.456 -0.333 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000500292323 1073334868 /nfs/dbraw/zinc/33/48/68/1073334868.db2.gz ZIEIWRVCIGMPCW-CVEARBPZSA-N 1 0 378.477 -0.332 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000500292326 1073334600 /nfs/dbraw/zinc/33/46/00/1073334600.db2.gz ZIEIWRVCIGMPCW-HOTGVXAUSA-N 1 0 378.477 -0.332 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000500292327 1073334927 /nfs/dbraw/zinc/33/49/27/1073334927.db2.gz ZIEIWRVCIGMPCW-HZPDHXFCSA-N 1 0 378.477 -0.332 20 0 GBADRO O=C(NCCCn1ccnn1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000500292328 1073334590 /nfs/dbraw/zinc/33/45/90/1073334590.db2.gz ZIEIWRVCIGMPCW-JKSUJKDBSA-N 1 0 378.477 -0.332 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500296931 1073336405 /nfs/dbraw/zinc/33/64/05/1073336405.db2.gz LIGCMIYXKDCGCK-CALCHBBNSA-N 1 0 391.520 -0.199 20 0 GBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500296932 1073336307 /nfs/dbraw/zinc/33/63/07/1073336307.db2.gz LIGCMIYXKDCGCK-IAGOWNOFSA-N 1 0 391.520 -0.199 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500296933 1073336075 /nfs/dbraw/zinc/33/60/75/1073336075.db2.gz LIGCMIYXKDCGCK-IRXDYDNUSA-N 1 0 391.520 -0.199 20 0 GBADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000500307382 1073337756 /nfs/dbraw/zinc/33/77/56/1073337756.db2.gz WCFMQKMAVANEDO-GFCCVEGCSA-N 1 0 383.474 -0.381 20 0 GBADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000500307390 1073337839 /nfs/dbraw/zinc/33/78/39/1073337839.db2.gz WCFMQKMAVANEDO-LBPRGKRZSA-N 1 0 383.474 -0.381 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CCN1C1CC[NH+](C)CC1 ZINC000500318686 1073339273 /nfs/dbraw/zinc/33/92/73/1073339273.db2.gz USYRODFQOZCLER-HNNXBMFYSA-N 1 0 377.493 -0.589 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCn2ccnn2)CCN1C1CC[NH+](C)CC1 ZINC000500318690 1073339068 /nfs/dbraw/zinc/33/90/68/1073339068.db2.gz USYRODFQOZCLER-OAHLLOKOSA-N 1 0 377.493 -0.589 20 0 GBADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000500325535 530445532 /nfs/dbraw/zinc/44/55/32/530445532.db2.gz FWCBNMXODVLSEK-UHFFFAOYSA-N 1 0 391.515 -0.308 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000500328071 1073339979 /nfs/dbraw/zinc/33/99/79/1073339979.db2.gz SJOQKPIOPHJIGP-UHFFFAOYSA-N 1 0 398.467 -0.283 20 0 GBADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000500328579 530445556 /nfs/dbraw/zinc/44/55/56/530445556.db2.gz KBFSYYZWEHFHSI-UHFFFAOYSA-N 1 0 391.515 -0.308 20 0 GBADRO O=S(=O)(N1CCC(C[NH+]2CCOCC2)CC1)N1CCS(=O)(=O)CC1 ZINC000500339595 530445335 /nfs/dbraw/zinc/44/53/35/530445335.db2.gz ICTANJJDZHCQJX-UHFFFAOYSA-N 1 0 381.520 -0.994 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000500369796 1073345331 /nfs/dbraw/zinc/34/53/31/1073345331.db2.gz WGHLBRDZGCNYMC-HNNXBMFYSA-N 1 0 390.440 -0.033 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1=O ZINC000500369797 1073345365 /nfs/dbraw/zinc/34/53/65/1073345365.db2.gz WGHLBRDZGCNYMC-OAHLLOKOSA-N 1 0 390.440 -0.033 20 0 GBADRO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(=O)[nH]c1=O ZINC000500406050 1073349014 /nfs/dbraw/zinc/34/90/14/1073349014.db2.gz SLDUIEOIAUYAKV-JHJVBQTASA-N 1 0 380.445 -0.014 20 0 GBADRO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(=O)[nH]c1=O ZINC000500406052 1073348923 /nfs/dbraw/zinc/34/89/23/1073348923.db2.gz SLDUIEOIAUYAKV-UPJWGTAASA-N 1 0 380.445 -0.014 20 0 GBADRO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(=O)[nH]c1=O ZINC000500406055 1073349048 /nfs/dbraw/zinc/34/90/48/1073349048.db2.gz SLDUIEOIAUYAKV-XQQFMLRXSA-N 1 0 380.445 -0.014 20 0 GBADRO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(=O)[nH]c1=O ZINC000500406057 1073349345 /nfs/dbraw/zinc/34/93/45/1073349345.db2.gz SLDUIEOIAUYAKV-YNEHKIRRSA-N 1 0 380.445 -0.014 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000500414090 1073350341 /nfs/dbraw/zinc/35/03/41/1073350341.db2.gz JLTFPHRJTKDQNU-UHFFFAOYSA-N 1 0 389.566 -0.017 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CCC1 ZINC000500422983 1073350839 /nfs/dbraw/zinc/35/08/39/1073350839.db2.gz JWUOCNHHRCZQHP-AWEZNQCLSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CCC1 ZINC000500422984 1073350971 /nfs/dbraw/zinc/35/09/71/1073350971.db2.gz JWUOCNHHRCZQHP-CQSZACIVSA-N 1 0 388.534 -0.093 20 0 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KPZODCSGWAKTQY-PVAVHDDUSA-N 1 0 383.489 -0.086 20 0 GBADRO COC[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCO1 ZINC000501584075 1072261266 /nfs/dbraw/zinc/26/12/66/1072261266.db2.gz KPZODCSGWAKTQY-XIRDDKMYSA-N 1 0 383.489 -0.086 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000501585982 1072262406 /nfs/dbraw/zinc/26/24/06/1072262406.db2.gz DBLNRWXGLILAEC-INMHGKMJSA-N 1 0 383.489 -0.134 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000501585983 1072262391 /nfs/dbraw/zinc/26/23/91/1072262391.db2.gz DBLNRWXGLILAEC-UXLLHSPISA-N 1 0 383.489 -0.134 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000501585984 1072262150 /nfs/dbraw/zinc/26/21/50/1072262150.db2.gz DBLNRWXGLILAEC-VYDXJSESSA-N 1 0 383.489 -0.134 20 0 GBADRO COC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000501585985 1072262207 /nfs/dbraw/zinc/26/22/07/1072262207.db2.gz DBLNRWXGLILAEC-ZOBUZTSGSA-N 1 0 383.489 -0.134 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1=O ZINC000501586059 1072262372 /nfs/dbraw/zinc/26/23/72/1072262372.db2.gz SQIVQQDVXZGKKR-CABCVRRESA-N 1 0 380.489 -0.317 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1=O ZINC000501586060 1072262441 /nfs/dbraw/zinc/26/24/41/1072262441.db2.gz SQIVQQDVXZGKKR-GJZGRUSLSA-N 1 0 380.489 -0.317 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1=O ZINC000501586061 1072262279 /nfs/dbraw/zinc/26/22/79/1072262279.db2.gz SQIVQQDVXZGKKR-HUUCEWRRSA-N 1 0 380.489 -0.317 20 0 GBADRO CCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1=O ZINC000501586062 1072262354 /nfs/dbraw/zinc/26/23/54/1072262354.db2.gz SQIVQQDVXZGKKR-LSDHHAIUSA-N 1 0 380.489 -0.317 20 0 GBADRO COCCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501586403 1072262319 /nfs/dbraw/zinc/26/23/19/1072262319.db2.gz FEMQHHFUPGYPFX-INIZCTEOSA-N 1 0 382.505 -0.606 20 0 GBADRO COCCN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501586404 1072262361 /nfs/dbraw/zinc/26/23/61/1072262361.db2.gz FEMQHHFUPGYPFX-MRXNPFEDSA-N 1 0 382.505 -0.606 20 0 GBADRO O=C(NCCN1CCSCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501587429 1072262348 /nfs/dbraw/zinc/26/23/48/1072262348.db2.gz WLZJKUXSVQYDQZ-HNNXBMFYSA-N 1 0 384.546 -0.232 20 0 GBADRO O=C(NCCN1CCSCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501587430 1072262173 /nfs/dbraw/zinc/26/21/73/1072262173.db2.gz WLZJKUXSVQYDQZ-OAHLLOKOSA-N 1 0 384.546 -0.232 20 0 GBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000501591078 1072263900 /nfs/dbraw/zinc/26/39/00/1072263900.db2.gz BLXLTDMCMVYKFM-AWEZNQCLSA-N 1 0 378.473 -0.563 20 0 GBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000501591083 1072263781 /nfs/dbraw/zinc/26/37/81/1072263781.db2.gz BLXLTDMCMVYKFM-CQSZACIVSA-N 1 0 378.473 -0.563 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000501591683 1072268681 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1 0 386.518 -0.529 20 0 GBADRO COCCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000501598083 1072270716 /nfs/dbraw/zinc/27/07/16/1072270716.db2.gz OPVJKQSFZVWYIY-DOTOQJQBSA-N 1 0 383.489 -0.133 20 0 GBADRO COCCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000501598084 1072270877 /nfs/dbraw/zinc/27/08/77/1072270877.db2.gz OPVJKQSFZVWYIY-NVXWUHKLSA-N 1 0 383.489 -0.133 20 0 GBADRO COCCN(C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000501598085 1072271473 /nfs/dbraw/zinc/27/14/73/1072271473.db2.gz OPVJKQSFZVWYIY-RDJZCZTQSA-N 1 0 383.489 -0.133 20 0 GBADRO COCCN(C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000501598086 1072271796 /nfs/dbraw/zinc/27/17/96/1072271796.db2.gz OPVJKQSFZVWYIY-WBVHZDCISA-N 1 0 383.489 -0.133 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501598121 1072271786 /nfs/dbraw/zinc/27/17/86/1072271786.db2.gz MNTVNXCBNLSYCW-DLBZAZTESA-N 1 0 396.532 -0.217 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501598122 1072272073 /nfs/dbraw/zinc/27/20/73/1072272073.db2.gz MNTVNXCBNLSYCW-IAGOWNOFSA-N 1 0 396.532 -0.217 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501598123 1072271539 /nfs/dbraw/zinc/27/15/39/1072271539.db2.gz MNTVNXCBNLSYCW-IRXDYDNUSA-N 1 0 396.532 -0.217 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501598124 1072271970 /nfs/dbraw/zinc/27/19/70/1072271970.db2.gz MNTVNXCBNLSYCW-SJORKVTESA-N 1 0 396.532 -0.217 20 0 GBADRO CC1(C)COCCN1CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501598957 1072271650 /nfs/dbraw/zinc/27/16/50/1072271650.db2.gz QXCDBUPUQCYLEF-INIZCTEOSA-N 1 0 396.532 -0.170 20 0 GBADRO CC1(C)COCCN1CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501598958 1072271716 /nfs/dbraw/zinc/27/17/16/1072271716.db2.gz QXCDBUPUQCYLEF-MRXNPFEDSA-N 1 0 396.532 -0.170 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501599301 1072271691 /nfs/dbraw/zinc/27/16/91/1072271691.db2.gz QGUQKUBTOSVGHQ-BHYGNILZSA-N 1 0 392.500 -0.127 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501599304 1072272008 /nfs/dbraw/zinc/27/20/08/1072272008.db2.gz QGUQKUBTOSVGHQ-UAGQMJEPSA-N 1 0 392.500 -0.127 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501599306 1072271957 /nfs/dbraw/zinc/27/19/57/1072271957.db2.gz QGUQKUBTOSVGHQ-USXIJHARSA-N 1 0 392.500 -0.127 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501599870 1072265970 /nfs/dbraw/zinc/26/59/70/1072265970.db2.gz RCVHHLHAZWTAAO-KRWDZBQOSA-N 1 0 393.532 -0.353 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501599875 1072265604 /nfs/dbraw/zinc/26/56/04/1072265604.db2.gz RCVHHLHAZWTAAO-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO CCC[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC000501605988 1072268151 /nfs/dbraw/zinc/26/81/51/1072268151.db2.gz LDULQDHPODPYDK-INIZCTEOSA-N 1 0 390.550 -0.477 20 0 GBADRO CCC[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC000501605991 1072268075 /nfs/dbraw/zinc/26/80/75/1072268075.db2.gz LDULQDHPODPYDK-MRXNPFEDSA-N 1 0 390.550 -0.477 20 0 GBADRO CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000501610611 1072275686 /nfs/dbraw/zinc/27/56/86/1072275686.db2.gz YHRPWJAGVPEXEO-AWEZNQCLSA-N 1 0 387.506 -0.342 20 0 GBADRO CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1CCOC ZINC000501610618 1072275614 /nfs/dbraw/zinc/27/56/14/1072275614.db2.gz YHRPWJAGVPEXEO-CQSZACIVSA-N 1 0 387.506 -0.342 20 0 GBADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000501612678 1072275815 /nfs/dbraw/zinc/27/58/15/1072275815.db2.gz PNLOQVMWTGTHHH-INIZCTEOSA-N 1 0 396.532 -0.170 20 0 GBADRO CC1(C)CN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000501612679 1072275772 /nfs/dbraw/zinc/27/57/72/1072275772.db2.gz PNLOQVMWTGTHHH-MRXNPFEDSA-N 1 0 396.532 -0.170 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501613165 1072275299 /nfs/dbraw/zinc/27/52/99/1072275299.db2.gz RIPLOVNMKWWNAZ-DLBZAZTESA-N 1 0 380.489 -0.269 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501613166 1072275204 /nfs/dbraw/zinc/27/52/04/1072275204.db2.gz RIPLOVNMKWWNAZ-IAGOWNOFSA-N 1 0 380.489 -0.269 20 0 GBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501613167 1072275564 /nfs/dbraw/zinc/27/55/64/1072275564.db2.gz RIPLOVNMKWWNAZ-IRXDYDNUSA-N 1 0 380.489 -0.269 20 0 GBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501613168 1072275456 /nfs/dbraw/zinc/27/54/56/1072275456.db2.gz RIPLOVNMKWWNAZ-SJORKVTESA-N 1 0 380.489 -0.269 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501617551 1072277571 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CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000502008693 1072297154 /nfs/dbraw/zinc/29/71/54/1072297154.db2.gz YCFHUTWVZXOJPW-CGTJXYLNSA-N 1 0 396.532 -0.077 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000502008694 1072296904 /nfs/dbraw/zinc/29/69/04/1072296904.db2.gz YCFHUTWVZXOJPW-KBAYOESNSA-N 1 0 396.532 -0.077 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000502008695 1072297061 /nfs/dbraw/zinc/29/70/61/1072297061.db2.gz YCFHUTWVZXOJPW-RYQLBKOJSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000502012341 1072297687 /nfs/dbraw/zinc/29/76/87/1072297687.db2.gz ZIHFJLRMKUWWES-CABCVRRESA-N 1 0 378.473 -0.446 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000502012342 1072298040 /nfs/dbraw/zinc/29/80/40/1072298040.db2.gz ZIHFJLRMKUWWES-GJZGRUSLSA-N 1 0 378.473 -0.446 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000502012343 1072298066 /nfs/dbraw/zinc/29/80/66/1072298066.db2.gz ZIHFJLRMKUWWES-HUUCEWRRSA-N 1 0 378.473 -0.446 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000502012344 1072297885 /nfs/dbraw/zinc/29/78/85/1072297885.db2.gz ZIHFJLRMKUWWES-LSDHHAIUSA-N 1 0 378.473 -0.446 20 0 GBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000502012749 1072297988 /nfs/dbraw/zinc/29/79/88/1072297988.db2.gz WSIOTHCSGAIJFZ-MSOLQXFVSA-N 1 0 396.532 -0.217 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000502012750 1072297707 /nfs/dbraw/zinc/29/77/07/1072297707.db2.gz WSIOTHCSGAIJFZ-QZTJIDSGSA-N 1 0 396.532 -0.217 20 0 GBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000502012751 1072297606 /nfs/dbraw/zinc/29/76/06/1072297606.db2.gz WSIOTHCSGAIJFZ-ROUUACIJSA-N 1 0 396.532 -0.217 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000502012752 1072297770 /nfs/dbraw/zinc/29/77/70/1072297770.db2.gz WSIOTHCSGAIJFZ-ZWKOTPCHSA-N 1 0 396.532 -0.217 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000502020256 1072297811 /nfs/dbraw/zinc/29/78/11/1072297811.db2.gz UMVDVZVNQQIGGR-BRWVUGGUSA-N 1 0 382.505 -0.465 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000502020259 1072297997 /nfs/dbraw/zinc/29/79/97/1072297997.db2.gz UMVDVZVNQQIGGR-GVDBMIGSSA-N 1 0 382.505 -0.465 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000502020261 1072298774 /nfs/dbraw/zinc/29/87/74/1072298774.db2.gz UMVDVZVNQQIGGR-IXDOHACOSA-N 1 0 382.505 -0.465 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000502020263 1072298899 /nfs/dbraw/zinc/29/88/99/1072298899.db2.gz UMVDVZVNQQIGGR-YESZJQIVSA-N 1 0 382.505 -0.465 20 0 GBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000502021151 1072298790 /nfs/dbraw/zinc/29/87/90/1072298790.db2.gz YGWHDVHCZGKMNN-CVEARBPZSA-N 1 0 396.488 -0.937 20 0 GBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000502021152 1072298842 /nfs/dbraw/zinc/29/88/42/1072298842.db2.gz YGWHDVHCZGKMNN-HOTGVXAUSA-N 1 0 396.488 -0.937 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000502021153 1072298815 /nfs/dbraw/zinc/29/88/15/1072298815.db2.gz YGWHDVHCZGKMNN-HZPDHXFCSA-N 1 0 396.488 -0.937 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000502021154 1072298680 /nfs/dbraw/zinc/29/86/80/1072298680.db2.gz YGWHDVHCZGKMNN-JKSUJKDBSA-N 1 0 396.488 -0.937 20 0 GBADRO C[NH+]1CCN(c2cccc(C(=O)NC[C@](C)(O)CN3CCOCC3)n2)CC1 ZINC000502034781 1072298726 /nfs/dbraw/zinc/29/87/26/1072298726.db2.gz VBSVIWSGHYLAKQ-IBGZPJMESA-N 1 0 377.489 -0.354 20 0 GBADRO C[NH+]1CCN(c2cccc(C(=O)NC[C@@](C)(O)CN3CCOCC3)n2)CC1 ZINC000502034783 1072298632 /nfs/dbraw/zinc/29/86/32/1072298632.db2.gz VBSVIWSGHYLAKQ-LJQANCHMSA-N 1 0 377.489 -0.354 20 0 GBADRO COC(=O)c1cnc(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)cn1 ZINC000502062871 1072299365 /nfs/dbraw/zinc/29/93/65/1072299365.db2.gz JDSMWYUNYJOAIC-UHFFFAOYSA-N 1 0 387.400 -0.514 20 0 GBADRO CN1CCN(C(=O)Cn2cc(NC(=O)CC(=O)NCC(F)(F)F)cn2)CC1 ZINC000502063050 1072299943 /nfs/dbraw/zinc/29/99/43/1072299943.db2.gz KHBZUECUSIIJKJ-UHFFFAOYSA-N 1 0 390.366 -0.336 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000502077494 1072300291 /nfs/dbraw/zinc/30/02/91/1072300291.db2.gz LKSGIIYIKFNVNE-AWEZNQCLSA-N 1 0 386.474 -0.419 20 0 GBADRO C[NH+]1CCN(c2cccc(C(=O)NCC(=O)NCCN3CCOCC3)n2)CC1 ZINC000502079062 1072300877 /nfs/dbraw/zinc/30/08/77/1072300877.db2.gz PGYJCOGFFDBFFP-UHFFFAOYSA-N 1 0 390.488 -0.988 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000502084625 1072301380 /nfs/dbraw/zinc/30/13/80/1072301380.db2.gz HFZKTRZQCDSXTC-HNNXBMFYSA-N 1 0 397.497 -0.015 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000502084626 1072301581 /nfs/dbraw/zinc/30/15/81/1072301581.db2.gz HFZKTRZQCDSXTC-OAHLLOKOSA-N 1 0 397.497 -0.015 20 0 GBADRO CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000502118253 1072303178 /nfs/dbraw/zinc/30/31/78/1072303178.db2.gz GOFXYCBHLYQIAL-UHFFFAOYSA-N 1 0 395.504 -0.427 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121615 1072304161 /nfs/dbraw/zinc/30/41/61/1072304161.db2.gz UEZGSYBXKMZIQR-DZGCQCFKSA-N 1 0 387.444 -0.372 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121617 1072303838 /nfs/dbraw/zinc/30/38/38/1072303838.db2.gz UEZGSYBXKMZIQR-HIFRSBDPSA-N 1 0 387.444 -0.372 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121618 1072304140 /nfs/dbraw/zinc/30/41/40/1072304140.db2.gz UEZGSYBXKMZIQR-UKRRQHHQSA-N 1 0 387.444 -0.372 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1nnnn1-c1ccccc1 ZINC000502121619 1072303692 /nfs/dbraw/zinc/30/36/92/1072303692.db2.gz UEZGSYBXKMZIQR-ZFWWWQNUSA-N 1 0 387.444 -0.372 20 0 GBADRO C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000502122400 1072302558 /nfs/dbraw/zinc/30/25/58/1072302558.db2.gz KNHNUHHNDIZDAW-CYBMUJFWSA-N 1 0 375.433 -0.466 20 0 GBADRO C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000502122401 1072302135 /nfs/dbraw/zinc/30/21/35/1072302135.db2.gz KNHNUHHNDIZDAW-ZDUSSCGKSA-N 1 0 375.433 -0.466 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC(=O)NCC(F)(F)F)cn1 ZINC000502131350 1072303183 /nfs/dbraw/zinc/30/31/83/1072303183.db2.gz WXQXFEBNHPSXAK-UHFFFAOYSA-N 1 0 378.355 -0.432 20 0 GBADRO CC[NH+]1CCN(CC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000502131812 530447397 /nfs/dbraw/zinc/44/73/97/530447397.db2.gz YKNGVBSPUZWGJH-CYBMUJFWSA-N 1 0 375.516 -0.364 20 0 GBADRO CC[NH+]1CCN(CC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000502131817 530447305 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CCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000502215764 1072307472 /nfs/dbraw/zinc/30/74/72/1072307472.db2.gz ITEBYTGQQNENLF-UHFFFAOYSA-N 1 0 378.481 -0.209 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502231233 1072309376 /nfs/dbraw/zinc/30/93/76/1072309376.db2.gz MBQMSMCEFUQHKM-BHYGNILZSA-N 1 0 394.516 -0.193 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502231234 1072309490 /nfs/dbraw/zinc/30/94/90/1072309490.db2.gz MBQMSMCEFUQHKM-UAGQMJEPSA-N 1 0 394.516 -0.193 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502231235 1072309186 /nfs/dbraw/zinc/30/91/86/1072309186.db2.gz MBQMSMCEFUQHKM-USXIJHARSA-N 1 0 394.516 -0.193 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502231236 1072309459 /nfs/dbraw/zinc/30/94/59/1072309459.db2.gz MBQMSMCEFUQHKM-XIRDDKMYSA-N 1 0 394.516 -0.193 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)C2)CC1 ZINC000502233937 1072309418 /nfs/dbraw/zinc/30/94/18/1072309418.db2.gz RSWXBAKNBAGSMI-BRWVUGGUSA-N 1 0 391.516 -0.506 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)C2)CC1 ZINC000502233938 1072309508 /nfs/dbraw/zinc/30/95/08/1072309508.db2.gz RSWXBAKNBAGSMI-IKGGRYGDSA-N 1 0 391.516 -0.506 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)C2)CC1 ZINC000502233939 1072309227 /nfs/dbraw/zinc/30/92/27/1072309227.db2.gz RSWXBAKNBAGSMI-IXDOHACOSA-N 1 0 391.516 -0.506 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)C2)CC1 ZINC000502233940 1072310451 /nfs/dbraw/zinc/31/04/51/1072310451.db2.gz RSWXBAKNBAGSMI-ZACQAIPSSA-N 1 0 391.516 -0.506 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502234203 1072309447 /nfs/dbraw/zinc/30/94/47/1072309447.db2.gz SFRDXCBGVNIZID-BBWFWOEESA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502234204 1072309392 /nfs/dbraw/zinc/30/93/92/1072309392.db2.gz SFRDXCBGVNIZID-GVDBMIGSSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502234206 1072309309 /nfs/dbraw/zinc/30/93/09/1072309309.db2.gz SFRDXCBGVNIZID-ULQDDVLXSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502234208 1072309211 /nfs/dbraw/zinc/30/92/11/1072309211.db2.gz SFRDXCBGVNIZID-YESZJQIVSA-N 1 0 392.500 -0.173 20 0 GBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000502246398 1072308371 /nfs/dbraw/zinc/30/83/71/1072308371.db2.gz UYHUKMWZMPJDDA-CVEARBPZSA-N 1 0 394.472 -0.052 20 0 GBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000502246399 1072308781 /nfs/dbraw/zinc/30/87/81/1072308781.db2.gz UYHUKMWZMPJDDA-HOTGVXAUSA-N 1 0 394.472 -0.052 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000502246400 1072308629 /nfs/dbraw/zinc/30/86/29/1072308629.db2.gz UYHUKMWZMPJDDA-HZPDHXFCSA-N 1 0 394.472 -0.052 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000502246401 1072308685 /nfs/dbraw/zinc/30/86/85/1072308685.db2.gz UYHUKMWZMPJDDA-JKSUJKDBSA-N 1 0 394.472 -0.052 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)CCO1 ZINC000502246605 1072308338 /nfs/dbraw/zinc/30/83/38/1072308338.db2.gz VSJZVLSGPDQBSH-DJIMGWMZSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)CCO1 ZINC000502246619 1072308861 /nfs/dbraw/zinc/30/88/61/1072308861.db2.gz VSJZVLSGPDQBSH-HYVNUMGLSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)CCO1 ZINC000502246620 1072308523 /nfs/dbraw/zinc/30/85/23/1072308523.db2.gz VSJZVLSGPDQBSH-OIISXLGYSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)CCO1 ZINC000502246621 1072308658 /nfs/dbraw/zinc/30/86/58/1072308658.db2.gz VSJZVLSGPDQBSH-PVAVHDDUSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCCO1 ZINC000502246909 1072308575 /nfs/dbraw/zinc/30/85/75/1072308575.db2.gz WICZIBAJHUSUKL-BZUAXINKSA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCCO1 ZINC000502246910 1072308849 /nfs/dbraw/zinc/30/88/49/1072308849.db2.gz WICZIBAJHUSUKL-OAGGEKHMSA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCCO1 ZINC000502246911 1072308324 /nfs/dbraw/zinc/30/83/24/1072308324.db2.gz WICZIBAJHUSUKL-OWCLPIDISA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCCO1 ZINC000502246912 1072308811 /nfs/dbraw/zinc/30/88/11/1072308811.db2.gz WICZIBAJHUSUKL-PMPSAXMXSA-N 1 0 380.489 -0.127 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502247930 1072310359 /nfs/dbraw/zinc/31/03/59/1072310359.db2.gz AMCPGSBPVWNOAF-DLBZAZTESA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502247932 1072307743 /nfs/dbraw/zinc/30/77/43/1072307743.db2.gz AMCPGSBPVWNOAF-IAGOWNOFSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502247933 1072307732 /nfs/dbraw/zinc/30/77/32/1072307732.db2.gz AMCPGSBPVWNOAF-IRXDYDNUSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502247935 1072307752 /nfs/dbraw/zinc/30/77/52/1072307752.db2.gz AMCPGSBPVWNOAF-SJORKVTESA-N 1 0 392.500 -0.173 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254142 1072311114 /nfs/dbraw/zinc/31/11/14/1072311114.db2.gz MKAIBWOEYAAPRO-ARFHVFGLSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254149 1072311017 /nfs/dbraw/zinc/31/10/17/1072311017.db2.gz MKAIBWOEYAAPRO-HRCADAONSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254155 1072310813 /nfs/dbraw/zinc/31/08/13/1072310813.db2.gz MKAIBWOEYAAPRO-JYJNAYRXSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254166 1072311043 /nfs/dbraw/zinc/31/10/43/1072311043.db2.gz MKAIBWOEYAAPRO-XHSDSOJGSA-N 1 0 380.489 -0.175 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254610 1072312110 /nfs/dbraw/zinc/31/21/10/1072312110.db2.gz KKAQSGIJFXYAOH-BHYGNILZSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254611 1072311918 /nfs/dbraw/zinc/31/19/18/1072311918.db2.gz KKAQSGIJFXYAOH-DJIMGWMZSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254612 1072311656 /nfs/dbraw/zinc/31/16/56/1072311656.db2.gz KKAQSGIJFXYAOH-HYVNUMGLSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254613 1072312064 /nfs/dbraw/zinc/31/20/64/1072312064.db2.gz KKAQSGIJFXYAOH-OIISXLGYSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254614 1072311978 /nfs/dbraw/zinc/31/19/78/1072311978.db2.gz KKAQSGIJFXYAOH-PVAVHDDUSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254615 1072312000 /nfs/dbraw/zinc/31/20/00/1072312000.db2.gz KKAQSGIJFXYAOH-UAGQMJEPSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502254616 1072311814 /nfs/dbraw/zinc/31/18/14/1072311814.db2.gz KKAQSGIJFXYAOH-USXIJHARSA-N 1 0 392.500 -0.032 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502254617 1072311593 /nfs/dbraw/zinc/31/15/93/1072311593.db2.gz KKAQSGIJFXYAOH-XIRDDKMYSA-N 1 0 392.500 -0.032 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502257151 1072312016 /nfs/dbraw/zinc/31/20/16/1072312016.db2.gz MNZLTPBRMUAIDY-CVEARBPZSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502257152 1072312047 /nfs/dbraw/zinc/31/20/47/1072312047.db2.gz MNZLTPBRMUAIDY-HOTGVXAUSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502257153 1072311528 /nfs/dbraw/zinc/31/15/28/1072311528.db2.gz MNZLTPBRMUAIDY-HZPDHXFCSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502257154 1072312030 /nfs/dbraw/zinc/31/20/30/1072312030.db2.gz MNZLTPBRMUAIDY-JKSUJKDBSA-N 1 0 380.489 -0.175 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502257258 1072311581 /nfs/dbraw/zinc/31/15/81/1072311581.db2.gz NAEUOIUVJWULAO-CVEARBPZSA-N 1 0 380.489 -0.439 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502257260 1072311559 /nfs/dbraw/zinc/31/15/59/1072311559.db2.gz NAEUOIUVJWULAO-HOTGVXAUSA-N 1 0 380.489 -0.439 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502257261 1072311618 /nfs/dbraw/zinc/31/16/18/1072311618.db2.gz NAEUOIUVJWULAO-HZPDHXFCSA-N 1 0 380.489 -0.439 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502257262 1072311966 /nfs/dbraw/zinc/31/19/66/1072311966.db2.gz NAEUOIUVJWULAO-JKSUJKDBSA-N 1 0 380.489 -0.439 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260264 1072312767 /nfs/dbraw/zinc/31/27/67/1072312767.db2.gz RYDLRNKFQQHSPT-DLBZAZTESA-N 1 0 393.532 -0.260 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502260265 1072312579 /nfs/dbraw/zinc/31/25/79/1072312579.db2.gz RYDLRNKFQQHSPT-IAGOWNOFSA-N 1 0 393.532 -0.260 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260803 1072312973 /nfs/dbraw/zinc/31/29/73/1072312973.db2.gz RYDLRNKFQQHSPT-IRXDYDNUSA-N 1 0 393.532 -0.260 20 0 GBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502260804 1072312655 /nfs/dbraw/zinc/31/26/55/1072312655.db2.gz RYDLRNKFQQHSPT-SJORKVTESA-N 1 0 393.532 -0.260 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000502261641 1072312470 /nfs/dbraw/zinc/31/24/70/1072312470.db2.gz SFRDXCBGVNIZID-BRWVUGGUSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000502261645 1072313015 /nfs/dbraw/zinc/31/30/15/1072313015.db2.gz SFRDXCBGVNIZID-IKGGRYGDSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000502261648 1072312683 /nfs/dbraw/zinc/31/26/83/1072312683.db2.gz SFRDXCBGVNIZID-IXDOHACOSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000502261650 1072312534 /nfs/dbraw/zinc/31/25/34/1072312534.db2.gz SFRDXCBGVNIZID-ZACQAIPSSA-N 1 0 392.500 -0.173 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000502262470 1072313782 /nfs/dbraw/zinc/31/37/82/1072313782.db2.gz CPGTUNBTZLYYMB-FPCVCCKLSA-N 1 0 380.489 -0.129 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@@H](C)O1 ZINC000502262471 1072313807 /nfs/dbraw/zinc/31/38/07/1072313807.db2.gz CPGTUNBTZLYYMB-KLHDSHLOSA-N 1 0 380.489 -0.129 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502262472 1072313470 /nfs/dbraw/zinc/31/34/70/1072313470.db2.gz CPGTUNBTZLYYMB-QKPAOTATSA-N 1 0 380.489 -0.129 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502262473 1072313733 /nfs/dbraw/zinc/31/37/33/1072313733.db2.gz CPGTUNBTZLYYMB-QXSJWSMHSA-N 1 0 380.489 -0.129 20 0 GBADRO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000502267405 1072314349 /nfs/dbraw/zinc/31/43/49/1072314349.db2.gz DHQCDQLVUYQWKG-DLBZAZTESA-N 1 0 384.521 -0.219 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000502267406 1072314524 /nfs/dbraw/zinc/31/45/24/1072314524.db2.gz DHQCDQLVUYQWKG-IAGOWNOFSA-N 1 0 384.521 -0.219 20 0 GBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000502267407 1072315010 /nfs/dbraw/zinc/31/50/10/1072315010.db2.gz DHQCDQLVUYQWKG-IRXDYDNUSA-N 1 0 384.521 -0.219 20 0 GBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000502267408 1072314960 /nfs/dbraw/zinc/31/49/60/1072314960.db2.gz DHQCDQLVUYQWKG-SJORKVTESA-N 1 0 384.521 -0.219 20 0 GBADRO 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ZINC000502283003 1072314469 /nfs/dbraw/zinc/31/44/69/1072314469.db2.gz RJTLQXXSCOIARU-DLBZAZTESA-N 1 0 383.489 -0.133 20 0 GBADRO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502283004 1072314982 /nfs/dbraw/zinc/31/49/82/1072314982.db2.gz RJTLQXXSCOIARU-IAGOWNOFSA-N 1 0 383.489 -0.133 20 0 GBADRO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502283005 1072314689 /nfs/dbraw/zinc/31/46/89/1072314689.db2.gz RJTLQXXSCOIARU-IRXDYDNUSA-N 1 0 383.489 -0.133 20 0 GBADRO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000502283006 1072314829 /nfs/dbraw/zinc/31/48/29/1072314829.db2.gz RJTLQXXSCOIARU-SJORKVTESA-N 1 0 383.489 -0.133 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290745 1072317600 /nfs/dbraw/zinc/31/76/00/1072317600.db2.gz DVRXPQIANCOKPL-CVEARBPZSA-N 1 0 379.505 -0.648 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502290746 1072317123 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/nfs/dbraw/zinc/32/65/24/1072326524.db2.gz QHXKPEVDCCYJGO-UHFFFAOYSA-N 1 0 376.461 -0.199 20 0 GBADRO O=C(CN1CCN(C(=O)CN2CC[NH+](C3CCC3)CC2)CC1)N1CCOCC1 ZINC000502552888 1072327688 /nfs/dbraw/zinc/32/76/88/1072327688.db2.gz RSHXXHWIPDFOIP-UHFFFAOYSA-N 1 0 393.532 -0.841 20 0 GBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H]2C1 ZINC000502570615 530447703 /nfs/dbraw/zinc/44/77/03/530447703.db2.gz QCZSJKLJSFGANN-LSDHHAIUSA-N 1 0 377.507 -0.348 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000502594766 1072329249 /nfs/dbraw/zinc/32/92/49/1072329249.db2.gz KEMCOJWBTMJKES-CYBMUJFWSA-N 1 0 388.490 -0.762 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000502594776 1072329230 /nfs/dbraw/zinc/32/92/30/1072329230.db2.gz KEMCOJWBTMJKES-ZDUSSCGKSA-N 1 0 388.490 -0.762 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601374 1072329629 /nfs/dbraw/zinc/32/96/29/1072329629.db2.gz PIXLFAAVWYPVDK-HNNXBMFYSA-N 1 0 395.485 -0.168 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502601377 1072329148 /nfs/dbraw/zinc/32/91/48/1072329148.db2.gz PIXLFAAVWYPVDK-OAHLLOKOSA-N 1 0 395.485 -0.168 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000502618287 1072329267 /nfs/dbraw/zinc/32/92/67/1072329267.db2.gz NKUQTBRWKZKDFO-IBGZPJMESA-N 1 0 391.472 -0.630 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000502618288 1072328989 /nfs/dbraw/zinc/32/89/89/1072328989.db2.gz NKUQTBRWKZKDFO-LJQANCHMSA-N 1 0 391.472 -0.630 20 0 GBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[C@H]2C1 ZINC000502624325 1072329490 /nfs/dbraw/zinc/32/94/90/1072329490.db2.gz WYSKFKGCNXFFCG-LSDHHAIUSA-N 1 0 396.469 -0.406 20 0 GBADRO O=C(NCC[NH+]1CCC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000502628232 1072329326 /nfs/dbraw/zinc/32/93/26/1072329326.db2.gz POQQAUZFXFZVKO-UHFFFAOYSA-N 1 0 396.517 -0.462 20 0 GBADRO COC[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000502713223 1072333647 /nfs/dbraw/zinc/33/36/47/1072333647.db2.gz QEXKLPUFBDZJCD-KRWDZBQOSA-N 1 0 382.505 -0.652 20 0 GBADRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000502713224 1072333895 /nfs/dbraw/zinc/33/38/95/1072333895.db2.gz QEXKLPUFBDZJCD-QGZVFWFLSA-N 1 0 382.505 -0.652 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)CC1 ZINC000502732837 1072335476 /nfs/dbraw/zinc/33/54/76/1072335476.db2.gz OIPMABWEVKGNHK-UHFFFAOYSA-N 1 0 383.537 -0.251 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000502736631 1072335437 /nfs/dbraw/zinc/33/54/37/1072335437.db2.gz HPCSOZSPUMGFSK-AWEZNQCLSA-N 1 0 383.470 -0.405 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)CC1 ZINC000502740639 1072334601 /nfs/dbraw/zinc/33/46/01/1072334601.db2.gz RNCQLLQVYRSWDK-UHFFFAOYSA-N 1 0 395.548 -0.107 20 0 GBADRO COCCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)S(=O)(=O)N(C)C ZINC000502751278 1072336483 /nfs/dbraw/zinc/33/64/83/1072336483.db2.gz SQMDICNNUIQFSO-HNNXBMFYSA-N 1 0 394.538 -0.786 20 0 GBADRO COCCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)S(=O)(=O)N(C)C ZINC000502751285 1072336229 /nfs/dbraw/zinc/33/62/29/1072336229.db2.gz SQMDICNNUIQFSO-OAHLLOKOSA-N 1 0 394.538 -0.786 20 0 GBADRO CN(CCCNC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)S(C)(=O)=O ZINC000502756690 530448254 /nfs/dbraw/zinc/44/82/54/530448254.db2.gz UAIAKKUHUAIUSD-UHFFFAOYSA-N 1 0 378.539 -0.085 20 0 GBADRO COC(=O)Cn1cc(CNC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)nn1 ZINC000502762427 1072336192 /nfs/dbraw/zinc/33/61/92/1072336192.db2.gz IUHKVJYGEXVZOX-GJZGRUSLSA-N 1 0 380.449 -0.154 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000502781880 1072337057 /nfs/dbraw/zinc/33/70/57/1072337057.db2.gz ACVKWNYYENUMMW-UHFFFAOYSA-N 1 0 395.504 -0.425 20 0 GBADRO CC[NH+]1CCN(CCC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502808462 530448391 /nfs/dbraw/zinc/44/83/91/530448391.db2.gz PMMJAVHHRAFVLC-UHFFFAOYSA-N 1 0 378.564 -0.491 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000502827500 530448051 /nfs/dbraw/zinc/44/80/51/530448051.db2.gz VMUAOSVVKGAZHE-UHFFFAOYSA-N 1 0 375.539 -0.215 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502835814 1072339048 /nfs/dbraw/zinc/33/90/48/1072339048.db2.gz HURFUURGZQTEGV-CABCVRRESA-N 1 0 381.521 -0.450 20 0 GBADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502835815 1072339152 /nfs/dbraw/zinc/33/91/52/1072339152.db2.gz HURFUURGZQTEGV-GJZGRUSLSA-N 1 0 381.521 -0.450 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502835816 1072339277 /nfs/dbraw/zinc/33/92/77/1072339277.db2.gz HURFUURGZQTEGV-HUUCEWRRSA-N 1 0 381.521 -0.450 20 0 GBADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502835817 1072339142 /nfs/dbraw/zinc/33/91/42/1072339142.db2.gz HURFUURGZQTEGV-LSDHHAIUSA-N 1 0 381.521 -0.450 20 0 GBADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835845 530448076 /nfs/dbraw/zinc/44/80/76/530448076.db2.gz IKQUKBVCPOESBS-KBPBESRZSA-N 1 0 376.523 -0.333 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835846 530448371 /nfs/dbraw/zinc/44/83/71/530448371.db2.gz IKQUKBVCPOESBS-KGLIPLIRSA-N 1 0 376.523 -0.333 20 0 GBADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835847 530448238 /nfs/dbraw/zinc/44/82/38/530448238.db2.gz IKQUKBVCPOESBS-UONOGXRCSA-N 1 0 376.523 -0.333 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000502835848 530448367 /nfs/dbraw/zinc/44/83/67/530448367.db2.gz IKQUKBVCPOESBS-ZIAGYGMSSA-N 1 0 376.523 -0.333 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000502836404 530448344 /nfs/dbraw/zinc/44/83/44/530448344.db2.gz SZJYUHKYWPKHQS-BFHYXJOUSA-N 1 0 375.491 -0.847 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000502836405 530448380 /nfs/dbraw/zinc/44/83/80/530448380.db2.gz SZJYUHKYWPKHQS-MCIONIFRSA-N 1 0 375.491 -0.847 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000502836406 530448296 /nfs/dbraw/zinc/44/82/96/530448296.db2.gz SZJYUHKYWPKHQS-MGPQQGTHSA-N 1 0 375.491 -0.847 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000502836407 530448359 /nfs/dbraw/zinc/44/83/59/530448359.db2.gz SZJYUHKYWPKHQS-MJBXVCDLSA-N 1 0 375.491 -0.847 20 0 GBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881692 1072340944 /nfs/dbraw/zinc/34/09/44/1072340944.db2.gz TXSVQQOUNXTLRD-FQEVSTJZSA-N 1 0 390.484 -0.348 20 0 GBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@](O)(C(N)=O)C3)CC2)cc1 ZINC000502881693 1072340540 /nfs/dbraw/zinc/34/05/40/1072340540.db2.gz TXSVQQOUNXTLRD-HXUWFJFHSA-N 1 0 390.484 -0.348 20 0 GBADRO NC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000502890880 1072339889 /nfs/dbraw/zinc/33/98/89/1072339889.db2.gz QREWCFHNIVPESX-FQEVSTJZSA-N 1 0 388.468 -0.812 20 0 GBADRO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000502890885 1072340096 /nfs/dbraw/zinc/34/00/96/1072340096.db2.gz QREWCFHNIVPESX-HXUWFJFHSA-N 1 0 388.468 -0.812 20 0 GBADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891244 1072339992 /nfs/dbraw/zinc/33/99/92/1072339992.db2.gz AFSYNIUSVACTPA-FOIQADDNSA-N 1 0 390.484 -0.554 20 0 GBADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502891245 1072340797 /nfs/dbraw/zinc/34/07/97/1072340797.db2.gz AFSYNIUSVACTPA-MGPUTAFESA-N 1 0 390.484 -0.554 20 0 GBADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891246 1072340434 /nfs/dbraw/zinc/34/04/34/1072340434.db2.gz AFSYNIUSVACTPA-QRWLVFNGSA-N 1 0 390.484 -0.554 20 0 GBADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502891247 1072340132 /nfs/dbraw/zinc/34/01/32/1072340132.db2.gz AFSYNIUSVACTPA-YWZLYKJASA-N 1 0 390.484 -0.554 20 0 GBADRO Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(C(N)=O)C3)CC2)nc(C(C)C)n1 ZINC000502898674 1072340373 /nfs/dbraw/zinc/34/03/73/1072340373.db2.gz HHLJUOMFTVGNNA-IBGZPJMESA-N 1 0 390.488 -0.521 20 0 GBADRO Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@](O)(C(N)=O)C3)CC2)nc(C(C)C)n1 ZINC000502898675 1072339916 /nfs/dbraw/zinc/33/99/16/1072339916.db2.gz HHLJUOMFTVGNNA-LJQANCHMSA-N 1 0 390.488 -0.521 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000502901539 1072341485 /nfs/dbraw/zinc/34/14/85/1072341485.db2.gz ALRNYGCYCXBADF-GOSISDBHSA-N 1 0 383.514 -0.041 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000502901540 1072341827 /nfs/dbraw/zinc/34/18/27/1072341827.db2.gz ALRNYGCYCXBADF-SFHVURJKSA-N 1 0 383.514 -0.041 20 0 GBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc21 ZINC000502905079 1072341516 /nfs/dbraw/zinc/34/15/16/1072341516.db2.gz CUBAURIDNKZGCY-IBGZPJMESA-N 1 0 376.457 -0.246 20 0 GBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000502905080 1072341438 /nfs/dbraw/zinc/34/14/38/1072341438.db2.gz CUBAURIDNKZGCY-LJQANCHMSA-N 1 0 376.457 -0.246 20 0 GBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000502905725 1072342074 /nfs/dbraw/zinc/34/20/74/1072342074.db2.gz NINVMIBHGJTXDO-FQEVSTJZSA-N 1 0 388.468 -0.362 20 0 GBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000502905726 1072341643 /nfs/dbraw/zinc/34/16/43/1072341643.db2.gz NINVMIBHGJTXDO-HXUWFJFHSA-N 1 0 388.468 -0.362 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000502918642 1072342372 /nfs/dbraw/zinc/34/23/72/1072342372.db2.gz JJWPZALXHZLRHM-HNNXBMFYSA-N 1 0 380.430 -0.860 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000502918643 1072342801 /nfs/dbraw/zinc/34/28/01/1072342801.db2.gz JJWPZALXHZLRHM-OAHLLOKOSA-N 1 0 380.430 -0.860 20 0 GBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000502921505 1072342885 /nfs/dbraw/zinc/34/28/85/1072342885.db2.gz ZWKNARQJVVURLO-GOSISDBHSA-N 1 0 376.461 -0.194 20 0 GBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000502921506 1072342515 /nfs/dbraw/zinc/34/25/15/1072342515.db2.gz ZWKNARQJVVURLO-SFHVURJKSA-N 1 0 376.461 -0.194 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502931622 1072341980 /nfs/dbraw/zinc/34/19/80/1072341980.db2.gz RJCXXKAXHVLASW-SJCJKPOMSA-N 1 0 385.486 -0.015 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502931623 1072342010 /nfs/dbraw/zinc/34/20/10/1072342010.db2.gz RJCXXKAXHVLASW-YVEFUNNKSA-N 1 0 385.486 -0.015 20 0 GBADRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502933630 1072341684 /nfs/dbraw/zinc/34/16/84/1072341684.db2.gz FQWJXEISYMUMEV-CYBMUJFWSA-N 1 0 382.486 -0.040 20 0 GBADRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502933634 1072341379 /nfs/dbraw/zinc/34/13/79/1072341379.db2.gz FQWJXEISYMUMEV-ZDUSSCGKSA-N 1 0 382.486 -0.040 20 0 GBADRO CS(=O)(=O)Nc1cncc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502935249 1072341895 /nfs/dbraw/zinc/34/18/95/1072341895.db2.gz RNZWRNOURLVGEQ-GFCCVEGCSA-N 1 0 383.474 -0.230 20 0 GBADRO CS(=O)(=O)Nc1cncc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502935250 1072341259 /nfs/dbraw/zinc/34/12/59/1072341259.db2.gz RNZWRNOURLVGEQ-LBPRGKRZSA-N 1 0 383.474 -0.230 20 0 GBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000502957632 530448515 /nfs/dbraw/zinc/44/85/15/530448515.db2.gz SDWDTAGESNJWDV-UHFFFAOYSA-N 1 0 375.491 -0.102 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000503081897 1072346149 /nfs/dbraw/zinc/34/61/49/1072346149.db2.gz UGMLTUYRZIIPQA-AWEZNQCLSA-N 1 0 385.486 -0.159 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000503081898 1072346615 /nfs/dbraw/zinc/34/66/15/1072346615.db2.gz UGMLTUYRZIIPQA-CQSZACIVSA-N 1 0 385.486 -0.159 20 0 GBADRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000503119347 1072348351 /nfs/dbraw/zinc/34/83/51/1072348351.db2.gz OCMXRHPIOBRTIJ-WMLDXEAASA-N 1 0 377.441 -0.190 20 0 GBADRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000503119350 1072348397 /nfs/dbraw/zinc/34/83/97/1072348397.db2.gz OCMXRHPIOBRTIJ-YOEHRIQHSA-N 1 0 377.441 -0.190 20 0 GBADRO O=C(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCC(F)(F)F ZINC000503186883 1072358372 /nfs/dbraw/zinc/35/83/72/1072358372.db2.gz QNAGCMMQNKXYIA-UHFFFAOYSA-N 1 0 379.383 -0.386 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000503198468 1072431960 /nfs/dbraw/zinc/43/19/60/1072431960.db2.gz LMQWQLMZLZEJMR-UHFFFAOYSA-N 1 0 377.445 -0.041 20 0 GBADRO O=C(CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000503200380 1072432934 /nfs/dbraw/zinc/43/29/34/1072432934.db2.gz 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C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000503272993 1072439560 /nfs/dbraw/zinc/43/95/60/1072439560.db2.gz BMVRWJXGKSFISY-UHFFFAOYSA-N 1 0 377.401 -0.767 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000503274560 1072439697 /nfs/dbraw/zinc/43/96/97/1072439697.db2.gz IODYMHUKSGOMJV-CYBMUJFWSA-N 1 0 390.440 -0.062 20 0 GBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000503274569 1072439550 /nfs/dbraw/zinc/43/95/50/1072439550.db2.gz IODYMHUKSGOMJV-ZDUSSCGKSA-N 1 0 390.440 -0.062 20 0 GBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000503284592 530448883 /nfs/dbraw/zinc/44/88/83/530448883.db2.gz OFLMRYRMVLJVEE-AWEZNQCLSA-N 1 0 380.580 -0.247 20 0 GBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000503284594 530449152 /nfs/dbraw/zinc/44/91/52/530449152.db2.gz OFLMRYRMVLJVEE-CQSZACIVSA-N 1 0 380.580 -0.247 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)[C@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503294084 530449010 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-0.375 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000503456600 530449056 /nfs/dbraw/zinc/44/90/56/530449056.db2.gz CEMKZKIZJCHDEZ-CQSZACIVSA-N 1 0 397.563 -0.375 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1CCC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503457382 1072465020 /nfs/dbraw/zinc/46/50/20/1072465020.db2.gz FHDJCRUZNGKTRI-CYBMUJFWSA-N 1 0 388.490 -0.714 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1CCC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000503457388 1072464444 /nfs/dbraw/zinc/46/44/44/1072464444.db2.gz FHDJCRUZNGKTRI-ZDUSSCGKSA-N 1 0 388.490 -0.714 20 0 GBADRO CCN1CCN(CC(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000503470998 1072467297 /nfs/dbraw/zinc/46/72/97/1072467297.db2.gz CSATZWPMRZKOOV-KRWDZBQOSA-N 1 0 388.578 -0.019 20 0 GBADRO CCN1CCN(CC(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000503470999 1072467389 /nfs/dbraw/zinc/46/73/89/1072467389.db2.gz CSATZWPMRZKOOV-QGZVFWFLSA-N 1 0 388.578 -0.019 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000503471309 530449145 /nfs/dbraw/zinc/44/91/45/530449145.db2.gz QGVVIACGZAWHBB-AWEZNQCLSA-N 1 0 397.563 -0.375 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000503471310 530448919 /nfs/dbraw/zinc/44/89/19/530448919.db2.gz QGVVIACGZAWHBB-CQSZACIVSA-N 1 0 397.563 -0.375 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1CSCC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503472882 530448950 /nfs/dbraw/zinc/44/89/50/530448950.db2.gz LXEZSBGUNGYNGO-CYBMUJFWSA-N 1 0 377.532 -0.123 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN1CSCC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000503472883 530449161 /nfs/dbraw/zinc/44/91/61/530449161.db2.gz LXEZSBGUNGYNGO-ZDUSSCGKSA-N 1 0 377.532 -0.123 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000503486560 530449045 /nfs/dbraw/zinc/44/90/45/530449045.db2.gz JCAYKACGVMJCKP-CYBMUJFWSA-N 1 0 383.536 -0.717 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC000503486562 530449157 /nfs/dbraw/zinc/44/91/57/530449157.db2.gz JCAYKACGVMJCKP-ZDUSSCGKSA-N 1 0 383.536 -0.717 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN(C)C(=O)COC)[C@H]1CCS(=O)(=O)C1 ZINC000503492778 530449134 /nfs/dbraw/zinc/44/91/34/530449134.db2.gz WTTNFPOMJIBWKW-AWEZNQCLSA-N 1 0 377.507 -0.551 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CN(C)C(=O)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000503492787 530449149 /nfs/dbraw/zinc/44/91/49/530449149.db2.gz WTTNFPOMJIBWKW-CQSZACIVSA-N 1 0 377.507 -0.551 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503497639 530449216 /nfs/dbraw/zinc/44/92/16/530449216.db2.gz RNBUPKGFBNTSSP-CHWSQXEVSA-N 1 0 383.536 -0.718 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503497640 530449015 /nfs/dbraw/zinc/44/90/15/530449015.db2.gz RNBUPKGFBNTSSP-OLZOCXBDSA-N 1 0 383.536 -0.718 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503497641 530449194 /nfs/dbraw/zinc/44/91/94/530449194.db2.gz RNBUPKGFBNTSSP-QWHCGFSZSA-N 1 0 383.536 -0.718 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503497642 530449192 /nfs/dbraw/zinc/44/91/92/530449192.db2.gz RNBUPKGFBNTSSP-STQMWFEESA-N 1 0 383.536 -0.718 20 0 GBADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000503523938 1072469837 /nfs/dbraw/zinc/46/98/37/1072469837.db2.gz SYIOFRYRIDMBGI-CABCVRRESA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000503523939 1072469791 /nfs/dbraw/zinc/46/97/91/1072469791.db2.gz SYIOFRYRIDMBGI-GJZGRUSLSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000503523940 1072470956 /nfs/dbraw/zinc/47/09/56/1072470956.db2.gz SYIOFRYRIDMBGI-HUUCEWRRSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000503523941 1072470769 /nfs/dbraw/zinc/47/07/69/1072470769.db2.gz SYIOFRYRIDMBGI-LSDHHAIUSA-N 1 0 381.521 -0.369 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000503597539 1072472973 /nfs/dbraw/zinc/47/29/73/1072472973.db2.gz YTDHXTQPJOJWMP-HNNXBMFYSA-N 1 0 379.413 -0.034 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000503597540 1072472955 /nfs/dbraw/zinc/47/29/55/1072472955.db2.gz YTDHXTQPJOJWMP-OAHLLOKOSA-N 1 0 379.413 -0.034 20 0 GBADRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000503600352 1072473989 /nfs/dbraw/zinc/47/39/89/1072473989.db2.gz BNBJXIVRLJHQNQ-UHFFFAOYSA-N 1 0 398.529 -0.238 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000503610747 1072474144 /nfs/dbraw/zinc/47/41/44/1072474144.db2.gz NFEDLBODDJBTEJ-HNNXBMFYSA-N 1 0 379.413 -0.034 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000503610749 1072474156 /nfs/dbraw/zinc/47/41/56/1072474156.db2.gz NFEDLBODDJBTEJ-OAHLLOKOSA-N 1 0 379.413 -0.034 20 0 GBADRO COCCn1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000503640935 1072475925 /nfs/dbraw/zinc/47/59/25/1072475925.db2.gz DLRHORGAIFWDCK-UHFFFAOYSA-N 1 0 392.460 -0.765 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000503645903 1072476508 /nfs/dbraw/zinc/47/65/08/1072476508.db2.gz WVJKFZBAKGNBBD-UHFFFAOYSA-N 1 0 387.440 -0.509 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCC3)ccc2oc1=O ZINC000503652284 1072477460 /nfs/dbraw/zinc/47/74/60/1072477460.db2.gz JNVNNMUWBMNWCO-UHFFFAOYSA-N 1 0 375.429 -0.084 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000503656741 1072476528 /nfs/dbraw/zinc/47/65/28/1072476528.db2.gz AGSIQAIQZMCKLF-UHFFFAOYSA-N 1 0 386.522 -0.768 20 0 GBADRO CC(C)[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)[NH+]1CCN(C)CC1 ZINC000503657527 1072476406 /nfs/dbraw/zinc/47/64/06/1072476406.db2.gz DVYOBLQYFIKCPN-AWEZNQCLSA-N 1 0 386.522 -0.913 20 0 GBADRO CC(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)[NH+]1CCN(C)CC1 ZINC000503657528 1072476794 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/nfs/dbraw/zinc/57/71/36/1072577136.db2.gz SZPXFKUUMORPKR-UHFFFAOYSA-N 1 0 377.445 -0.395 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000504457809 1072576981 /nfs/dbraw/zinc/57/69/81/1072576981.db2.gz KEUXMUOJNVBXOC-UHFFFAOYSA-N 1 0 375.429 -0.310 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)CCO1 ZINC000504492803 1072577026 /nfs/dbraw/zinc/57/70/26/1072577026.db2.gz KNEZLWWVPFFPRJ-GFCCVEGCSA-N 1 0 375.429 -0.169 20 0 GBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)CCO1 ZINC000504492804 1072576867 /nfs/dbraw/zinc/57/68/67/1072576867.db2.gz KNEZLWWVPFFPRJ-LBPRGKRZSA-N 1 0 375.429 -0.169 20 0 GBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504511323 1072577804 /nfs/dbraw/zinc/57/78/04/1072577804.db2.gz CHAKMCSUASMYFR-INIZCTEOSA-N 1 0 393.473 -0.249 20 0 GBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504511324 1072577518 /nfs/dbraw/zinc/57/75/18/1072577518.db2.gz CHAKMCSUASMYFR-MRXNPFEDSA-N 1 0 393.473 -0.249 20 0 GBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504512323 1072577982 /nfs/dbraw/zinc/57/79/82/1072577982.db2.gz LAZOWSLLEMMAKY-GOSISDBHSA-N 1 0 380.445 -0.431 20 0 GBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504512324 1072577684 /nfs/dbraw/zinc/57/76/84/1072577684.db2.gz LAZOWSLLEMMAKY-SFHVURJKSA-N 1 0 380.445 -0.431 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000504513013 1072576683 /nfs/dbraw/zinc/57/66/83/1072576683.db2.gz LKTNAFITGJWZNV-CQSZACIVSA-N 1 0 376.461 -0.037 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1C ZINC000504518003 1072577940 /nfs/dbraw/zinc/57/79/40/1072577940.db2.gz BNCHLCFBENSBBM-INIZCTEOSA-N 1 0 386.474 -0.730 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1C ZINC000504518008 1072577846 /nfs/dbraw/zinc/57/78/46/1072577846.db2.gz BNCHLCFBENSBBM-MRXNPFEDSA-N 1 0 386.474 -0.730 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1C ZINC000504518483 1072577832 /nfs/dbraw/zinc/57/78/32/1072577832.db2.gz MLGMMXRKKOWUCK-UHFFFAOYSA-N 1 0 376.461 -0.037 20 0 GBADRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504524048 1072577662 /nfs/dbraw/zinc/57/76/62/1072577662.db2.gz AGPOCTAQFKFLTG-GOSISDBHSA-N 1 0 379.461 -0.406 20 0 GBADRO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504524051 1072577467 /nfs/dbraw/zinc/57/74/67/1072577467.db2.gz AGPOCTAQFKFLTG-SFHVURJKSA-N 1 0 379.461 -0.406 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000504524627 1072577909 /nfs/dbraw/zinc/57/79/09/1072577909.db2.gz DPFLXBPWNWNIAF-KRWDZBQOSA-N 1 0 398.485 -0.406 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000504524628 1072577613 /nfs/dbraw/zinc/57/76/13/1072577613.db2.gz DPFLXBPWNWNIAF-QGZVFWFLSA-N 1 0 398.485 -0.406 20 0 GBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504525521 1072577601 /nfs/dbraw/zinc/57/76/01/1072577601.db2.gz KHQYBUUMZFLEQL-GOSISDBHSA-N 1 0 380.445 -0.479 20 0 GBADRO CN(C)C(=O)COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504525524 1072577454 /nfs/dbraw/zinc/57/74/54/1072577454.db2.gz KHQYBUUMZFLEQL-SFHVURJKSA-N 1 0 380.445 -0.479 20 0 GBADRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1-n1nnnc1C ZINC000504527129 1072577866 /nfs/dbraw/zinc/57/78/66/1072577866.db2.gz WHNZOHWHCNHJBV-KRWDZBQOSA-N 1 0 391.432 -0.653 20 0 GBADRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1-n1nnnc1C ZINC000504527130 1072577932 /nfs/dbraw/zinc/57/79/32/1072577932.db2.gz WHNZOHWHCNHJBV-QGZVFWFLSA-N 1 0 391.432 -0.653 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1C ZINC000504531934 1072577647 /nfs/dbraw/zinc/57/76/47/1072577647.db2.gz INFLISBNTZALNB-INIZCTEOSA-N 1 0 386.474 -0.682 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000504531935 1072577764 /nfs/dbraw/zinc/57/77/64/1072577764.db2.gz INFLISBNTZALNB-MRXNPFEDSA-N 1 0 386.474 -0.682 20 0 GBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000504532355 1072577628 /nfs/dbraw/zinc/57/76/28/1072577628.db2.gz KCZYAYWHFJKNOB-KRWDZBQOSA-N 1 0 383.449 -0.451 20 0 GBADRO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000504532360 1072577693 /nfs/dbraw/zinc/57/76/93/1072577693.db2.gz KCZYAYWHFJKNOB-QGZVFWFLSA-N 1 0 383.449 -0.451 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000504534479 1072577874 /nfs/dbraw/zinc/57/78/74/1072577874.db2.gz YBTYEPNHEZDHIQ-GOSISDBHSA-N 1 0 377.445 -0.026 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000504534480 1072577796 /nfs/dbraw/zinc/57/77/96/1072577796.db2.gz YBTYEPNHEZDHIQ-SFHVURJKSA-N 1 0 377.445 -0.026 20 0 GBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504540946 1072578713 /nfs/dbraw/zinc/57/87/13/1072578713.db2.gz JYCIIFZVQDHACC-MRXNPFEDSA-N 1 0 386.474 -0.730 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2=O)cn1 ZINC000504547323 1072578550 /nfs/dbraw/zinc/57/85/50/1072578550.db2.gz NAOSMIKXPNVXBH-GDBMZVCRSA-N 1 0 388.472 -0.272 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2=O)cn1 ZINC000504547324 1072579041 /nfs/dbraw/zinc/57/90/41/1072579041.db2.gz NAOSMIKXPNVXBH-GOEBONIOSA-N 1 0 388.472 -0.272 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2=O)cn1 ZINC000504547325 1072578741 /nfs/dbraw/zinc/57/87/41/1072578741.db2.gz NAOSMIKXPNVXBH-HOCLYGCPSA-N 1 0 388.472 -0.272 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2=O)cn1 ZINC000504547326 1072578565 /nfs/dbraw/zinc/57/85/65/1072578565.db2.gz NAOSMIKXPNVXBH-ZBFHGGJFSA-N 1 0 388.472 -0.272 20 0 GBADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504548126 1072578988 /nfs/dbraw/zinc/57/89/88/1072578988.db2.gz UTPXYZUWXVQMIO-GOSISDBHSA-N 1 0 380.445 -0.479 20 0 GBADRO CN(C)C(=O)COc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504548127 1072579085 /nfs/dbraw/zinc/57/90/85/1072579085.db2.gz UTPXYZUWXVQMIO-SFHVURJKSA-N 1 0 380.445 -0.479 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1C ZINC000504552457 1072578669 /nfs/dbraw/zinc/57/86/69/1072578669.db2.gz BPMTZENHLAPXKS-INIZCTEOSA-N 1 0 386.474 -0.730 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000504552458 1072579001 /nfs/dbraw/zinc/57/90/01/1072579001.db2.gz BPMTZENHLAPXKS-MRXNPFEDSA-N 1 0 386.474 -0.730 20 0 GBADRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1-n1cnnn1 ZINC000504555241 1072579643 /nfs/dbraw/zinc/57/96/43/1072579643.db2.gz OGKSSTYLUNNUTK-INIZCTEOSA-N 1 0 377.405 -0.962 20 0 GBADRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1-n1cnnn1 ZINC000504555242 1072579422 /nfs/dbraw/zinc/57/94/22/1072579422.db2.gz OGKSSTYLUNNUTK-MRXNPFEDSA-N 1 0 377.405 -0.962 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504556090 1072578415 /nfs/dbraw/zinc/57/84/15/1072578415.db2.gz TUVSZXRAUMWVKR-INIZCTEOSA-N 1 0 386.474 -0.696 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504556091 1072579065 /nfs/dbraw/zinc/57/90/65/1072579065.db2.gz TUVSZXRAUMWVKR-MRXNPFEDSA-N 1 0 386.474 -0.696 20 0 GBADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504557252 1072578238 /nfs/dbraw/zinc/57/82/38/1072578238.db2.gz ZEMUOKGNQNGTLB-HNNXBMFYSA-N 1 0 376.461 -0.369 20 0 GBADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504557258 1072578931 /nfs/dbraw/zinc/57/89/31/1072578931.db2.gz ZEMUOKGNQNGTLB-OAHLLOKOSA-N 1 0 376.461 -0.369 20 0 GBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504561891 1072579655 /nfs/dbraw/zinc/57/96/55/1072579655.db2.gz WMHISICWWZXLEQ-INIZCTEOSA-N 1 0 386.474 -0.185 20 0 GBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504561892 1072579477 /nfs/dbraw/zinc/57/94/77/1072579477.db2.gz WMHISICWWZXLEQ-MRXNPFEDSA-N 1 0 386.474 -0.185 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504562205 1072579792 /nfs/dbraw/zinc/57/97/92/1072579792.db2.gz XMWKRXKBIROYQF-KRWDZBQOSA-N 1 0 375.433 -0.273 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504562206 1072579816 /nfs/dbraw/zinc/57/98/16/1072579816.db2.gz XMWKRXKBIROYQF-QGZVFWFLSA-N 1 0 375.433 -0.273 20 0 GBADRO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc21 ZINC000504562604 1072579627 /nfs/dbraw/zinc/57/96/27/1072579627.db2.gz ZPYBPPTYWSKNAI-IBGZPJMESA-N 1 0 389.456 -0.245 20 0 GBADRO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc21 ZINC000504562605 1072579407 /nfs/dbraw/zinc/57/94/07/1072579407.db2.gz ZPYBPPTYWSKNAI-LJQANCHMSA-N 1 0 389.456 -0.245 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504563614 1072579330 /nfs/dbraw/zinc/57/93/30/1072579330.db2.gz OMQFSCJFLABPDC-INIZCTEOSA-N 1 0 388.472 -0.272 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504563615 1072579649 /nfs/dbraw/zinc/57/96/49/1072579649.db2.gz OMQFSCJFLABPDC-MRXNPFEDSA-N 1 0 388.472 -0.272 20 0 GBADRO CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)o1 ZINC000504566095 1072579453 /nfs/dbraw/zinc/57/94/53/1072579453.db2.gz NTQLWUGCDIXXAS-CYBMUJFWSA-N 1 0 376.417 -0.220 20 0 GBADRO CN(C)c1nnc(-c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)o1 ZINC000504566096 1072579684 /nfs/dbraw/zinc/57/96/84/1072579684.db2.gz NTQLWUGCDIXXAS-ZDUSSCGKSA-N 1 0 376.417 -0.220 20 0 GBADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1F ZINC000504567499 1072579540 /nfs/dbraw/zinc/57/95/40/1072579540.db2.gz DHBWZQVDGQQUJP-INIZCTEOSA-N 1 0 379.396 -0.523 20 0 GBADRO Cc1nnnn1-c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1F ZINC000504567500 1072579462 /nfs/dbraw/zinc/57/94/62/1072579462.db2.gz DHBWZQVDGQQUJP-MRXNPFEDSA-N 1 0 379.396 -0.523 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000504567664 1072580526 /nfs/dbraw/zinc/58/05/26/1072580526.db2.gz GOFHBSZZADZZTA-KRWDZBQOSA-N 1 0 398.485 -0.406 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000504567665 1072580572 /nfs/dbraw/zinc/58/05/72/1072580572.db2.gz GOFHBSZZADZZTA-QGZVFWFLSA-N 1 0 398.485 -0.406 20 0 GBADRO CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(N)(=O)=O ZINC000504567824 1072580387 /nfs/dbraw/zinc/58/03/87/1072580387.db2.gz IPIDZJVTDDOIJE-INIZCTEOSA-N 1 0 386.474 -0.736 20 0 GBADRO CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(N)(=O)=O ZINC000504567825 1072580601 /nfs/dbraw/zinc/58/06/01/1072580601.db2.gz IPIDZJVTDDOIJE-MRXNPFEDSA-N 1 0 386.474 -0.736 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000504570165 1072580362 /nfs/dbraw/zinc/58/03/62/1072580362.db2.gz GWZRPVKAKJQPRF-GDBMZVCRSA-N 1 0 388.472 -0.414 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000504570166 1072580343 /nfs/dbraw/zinc/58/03/43/1072580343.db2.gz GWZRPVKAKJQPRF-GOEBONIOSA-N 1 0 388.472 -0.414 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000504570167 1072580378 /nfs/dbraw/zinc/58/03/78/1072580378.db2.gz GWZRPVKAKJQPRF-HOCLYGCPSA-N 1 0 388.472 -0.414 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000504570168 1072580398 /nfs/dbraw/zinc/58/03/98/1072580398.db2.gz GWZRPVKAKJQPRF-ZBFHGGJFSA-N 1 0 388.472 -0.414 20 0 GBADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000504570392 1072580415 /nfs/dbraw/zinc/58/04/15/1072580415.db2.gz JHMNMFYUSOQLQI-IPYPFGDCSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000504570393 1072580322 /nfs/dbraw/zinc/58/03/22/1072580322.db2.gz JHMNMFYUSOQLQI-NFAWXSAZSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000504570394 1072580537 /nfs/dbraw/zinc/58/05/37/1072580537.db2.gz JHMNMFYUSOQLQI-UMVBOHGHSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000504570395 1072580512 /nfs/dbraw/zinc/58/05/12/1072580512.db2.gz JHMNMFYUSOQLQI-VNHYZAJKSA-N 1 0 376.461 -0.417 20 0 GBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504572022 1072580679 /nfs/dbraw/zinc/58/06/79/1072580679.db2.gz ZNZARKOMXGMNMV-GDBMZVCRSA-N 1 0 390.488 -0.026 20 0 GBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504572023 1072580462 /nfs/dbraw/zinc/58/04/62/1072580462.db2.gz ZNZARKOMXGMNMV-GOEBONIOSA-N 1 0 390.488 -0.026 20 0 GBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504572024 1072580630 /nfs/dbraw/zinc/58/06/30/1072580630.db2.gz ZNZARKOMXGMNMV-HOCLYGCPSA-N 1 0 390.488 -0.026 20 0 GBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504572025 1072580728 /nfs/dbraw/zinc/58/07/28/1072580728.db2.gz ZNZARKOMXGMNMV-ZBFHGGJFSA-N 1 0 390.488 -0.026 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504574531 1072580372 /nfs/dbraw/zinc/58/03/72/1072580372.db2.gz FOBIPFAGGCBIHO-INIZCTEOSA-N 1 0 386.474 -0.696 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504574532 1072580261 /nfs/dbraw/zinc/58/02/61/1072580261.db2.gz FOBIPFAGGCBIHO-MRXNPFEDSA-N 1 0 386.474 -0.696 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000504576690 1072581519 /nfs/dbraw/zinc/58/15/19/1072581519.db2.gz BQTINLNGDCLFFF-DZKIICNBSA-N 1 0 390.488 -0.027 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000504576691 1072581091 /nfs/dbraw/zinc/58/10/91/1072581091.db2.gz BQTINLNGDCLFFF-IJEWVQPXSA-N 1 0 390.488 -0.027 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000504576692 1072581405 /nfs/dbraw/zinc/58/14/05/1072581405.db2.gz BQTINLNGDCLFFF-OFQRWUPVSA-N 1 0 390.488 -0.027 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000504576693 1072581547 /nfs/dbraw/zinc/58/15/47/1072581547.db2.gz BQTINLNGDCLFFF-YCPHGPKFSA-N 1 0 390.488 -0.027 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504576953 1072581200 /nfs/dbraw/zinc/58/12/00/1072581200.db2.gz FEKYETRJVBUQEA-HNNXBMFYSA-N 1 0 378.477 -0.168 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504576954 1072581158 /nfs/dbraw/zinc/58/11/58/1072581158.db2.gz FEKYETRJVBUQEA-OAHLLOKOSA-N 1 0 378.477 -0.168 20 0 GBADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577856 1072581445 /nfs/dbraw/zinc/58/14/45/1072581445.db2.gz NQWYPXFGUCCYBX-BPLDGKMQSA-N 1 0 376.461 -0.560 20 0 GBADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577858 1072581583 /nfs/dbraw/zinc/58/15/83/1072581583.db2.gz NQWYPXFGUCCYBX-SNPRPXQTSA-N 1 0 376.461 -0.560 20 0 GBADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577859 1072581646 /nfs/dbraw/zinc/58/16/46/1072581646.db2.gz NQWYPXFGUCCYBX-VHDGCEQUSA-N 1 0 376.461 -0.560 20 0 GBADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577860 1072581062 /nfs/dbraw/zinc/58/10/62/1072581062.db2.gz NQWYPXFGUCCYBX-YUELXQCFSA-N 1 0 376.461 -0.560 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2=O)cn1 ZINC000504578063 1072581080 /nfs/dbraw/zinc/58/10/80/1072581080.db2.gz OPQDMQPVXQTPQY-XUJLQICISA-N 1 0 388.472 -0.225 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2=O)cn1 ZINC000504578072 1072581478 /nfs/dbraw/zinc/58/14/78/1072581478.db2.gz OPQDMQPVXQTPQY-ZBCRRDGASA-N 1 0 388.472 -0.225 20 0 GBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504578107 1072581037 /nfs/dbraw/zinc/58/10/37/1072581037.db2.gz OTYJIMIQZBPXSL-HNNXBMFYSA-N 1 0 378.477 -0.312 20 0 GBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504578108 1072581460 /nfs/dbraw/zinc/58/14/60/1072581460.db2.gz OTYJIMIQZBPXSL-OAHLLOKOSA-N 1 0 378.477 -0.312 20 0 GBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504584328 1072582621 /nfs/dbraw/zinc/58/26/21/1072582621.db2.gz HHIDQVYWAJKYOZ-HNNXBMFYSA-N 1 0 376.461 -0.558 20 0 GBADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504584330 1072582039 /nfs/dbraw/zinc/58/20/39/1072582039.db2.gz HHIDQVYWAJKYOZ-OAHLLOKOSA-N 1 0 376.461 -0.558 20 0 GBADRO CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504588600 1072582613 /nfs/dbraw/zinc/58/26/13/1072582613.db2.gz DQFFWOKQOPMLLE-GOSISDBHSA-N 1 0 380.445 -0.431 20 0 GBADRO CNC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504588601 1072582529 /nfs/dbraw/zinc/58/25/29/1072582529.db2.gz DQFFWOKQOPMLLE-SFHVURJKSA-N 1 0 380.445 -0.431 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2=O)cn1 ZINC000504590924 1072582950 /nfs/dbraw/zinc/58/29/50/1072582950.db2.gz GQOYIEUHOJZXCQ-CABCVRRESA-N 1 0 390.488 -0.122 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2=O)cn1 ZINC000504590926 1072583279 /nfs/dbraw/zinc/58/32/79/1072583279.db2.gz GQOYIEUHOJZXCQ-GJZGRUSLSA-N 1 0 390.488 -0.122 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2=O)cn1 ZINC000504590927 1072582983 /nfs/dbraw/zinc/58/29/83/1072582983.db2.gz GQOYIEUHOJZXCQ-HUUCEWRRSA-N 1 0 390.488 -0.122 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2=O)cn1 ZINC000504590928 1072583379 /nfs/dbraw/zinc/58/33/79/1072583379.db2.gz GQOYIEUHOJZXCQ-LSDHHAIUSA-N 1 0 390.488 -0.122 20 0 GBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504593127 1072583432 /nfs/dbraw/zinc/58/34/32/1072583432.db2.gz PTTDBZSPQWSEGX-GDBMZVCRSA-N 1 0 390.488 -0.168 20 0 GBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504593128 1072583447 /nfs/dbraw/zinc/58/34/47/1072583447.db2.gz PTTDBZSPQWSEGX-GOEBONIOSA-N 1 0 390.488 -0.168 20 0 GBADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504593181 1072583420 /nfs/dbraw/zinc/58/34/20/1072583420.db2.gz PTTDBZSPQWSEGX-HOCLYGCPSA-N 1 0 390.488 -0.168 20 0 GBADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000504593182 1072583397 /nfs/dbraw/zinc/58/33/97/1072583397.db2.gz PTTDBZSPQWSEGX-ZBFHGGJFSA-N 1 0 390.488 -0.168 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(C)(C)C[NH+](C)C ZINC000504595044 1072583482 /nfs/dbraw/zinc/58/34/82/1072583482.db2.gz ZSJMQDFTEPRMPV-GXTWGEPZSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(C)(C)C[NH+](C)C ZINC000504595045 1072583100 /nfs/dbraw/zinc/58/31/00/1072583100.db2.gz ZSJMQDFTEPRMPV-JSGCOSHPSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C(C)(C)C[NH+](C)C ZINC000504595046 1072583150 /nfs/dbraw/zinc/58/31/50/1072583150.db2.gz ZSJMQDFTEPRMPV-OCCSQVGLSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C(C)(C)C[NH+](C)C ZINC000504595047 1072583049 /nfs/dbraw/zinc/58/30/49/1072583049.db2.gz ZSJMQDFTEPRMPV-TZMCWYRMSA-N 1 0 378.477 -0.266 20 0 GBADRO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000504596470 1072583109 /nfs/dbraw/zinc/58/31/09/1072583109.db2.gz DDSOBXOGDIPOFG-DZGCQCFKSA-N 1 0 394.476 -0.739 20 0 GBADRO C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000504596472 1072583461 /nfs/dbraw/zinc/58/34/61/1072583461.db2.gz DDSOBXOGDIPOFG-HIFRSBDPSA-N 1 0 394.476 -0.739 20 0 GBADRO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000504596473 1072583489 /nfs/dbraw/zinc/58/34/89/1072583489.db2.gz DDSOBXOGDIPOFG-UKRRQHHQSA-N 1 0 394.476 -0.739 20 0 GBADRO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000504596474 1072583014 /nfs/dbraw/zinc/58/30/14/1072583014.db2.gz DDSOBXOGDIPOFG-ZFWWWQNUSA-N 1 0 394.476 -0.739 20 0 GBADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504599190 1072581330 /nfs/dbraw/zinc/58/13/30/1072581330.db2.gz RIDIUGNRVAISDN-GOSISDBHSA-N 1 0 379.461 -0.446 20 0 GBADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504599192 1072581313 /nfs/dbraw/zinc/58/13/13/1072581313.db2.gz RIDIUGNRVAISDN-SFHVURJKSA-N 1 0 379.461 -0.446 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CCN1C1CC[NH+](C)CC1 ZINC000504603069 1072582156 /nfs/dbraw/zinc/58/21/56/1072582156.db2.gz BNMHACGKFLQKRQ-CYBMUJFWSA-N 1 0 388.472 -0.254 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CCN1C1CC[NH+](C)CC1 ZINC000504603071 1072582518 /nfs/dbraw/zinc/58/25/18/1072582518.db2.gz BNMHACGKFLQKRQ-ZDUSSCGKSA-N 1 0 388.472 -0.254 20 0 GBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504603915 1072584513 /nfs/dbraw/zinc/58/45/13/1072584513.db2.gz BJERIRICOSDHGS-GOSISDBHSA-N 1 0 380.445 -0.431 20 0 GBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504603916 1072583936 /nfs/dbraw/zinc/58/39/36/1072583936.db2.gz BJERIRICOSDHGS-SFHVURJKSA-N 1 0 380.445 -0.431 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000504613571 1072583328 /nfs/dbraw/zinc/58/33/28/1072583328.db2.gz SEUCEHNHNWIDNE-UHFFFAOYSA-N 1 0 383.493 -0.569 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000504618986 1072583061 /nfs/dbraw/zinc/58/30/61/1072583061.db2.gz CZZIMKPVQFJNIN-UHFFFAOYSA-N 1 0 385.509 -0.859 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2cccc(C(N)=O)n2)ccn1 ZINC000504622297 1072583472 /nfs/dbraw/zinc/58/34/72/1072583472.db2.gz WYOMPXHKGIQMAJ-UHFFFAOYSA-N 1 0 386.412 -0.229 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000504651440 1072584237 /nfs/dbraw/zinc/58/42/37/1072584237.db2.gz DPRMZPKAQIILRX-CABCVRRESA-N 1 0 397.435 -0.129 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000504651443 1072583899 /nfs/dbraw/zinc/58/38/99/1072583899.db2.gz DPRMZPKAQIILRX-GJZGRUSLSA-N 1 0 397.435 -0.129 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000504651444 1072583942 /nfs/dbraw/zinc/58/39/42/1072583942.db2.gz DPRMZPKAQIILRX-HUUCEWRRSA-N 1 0 397.435 -0.129 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000504651445 1072584399 /nfs/dbraw/zinc/58/43/99/1072584399.db2.gz DPRMZPKAQIILRX-LSDHHAIUSA-N 1 0 397.435 -0.129 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000504661677 1072584017 /nfs/dbraw/zinc/58/40/17/1072584017.db2.gz QJGIAGYSIHJBJC-FQEVSTJZSA-N 1 0 397.435 -0.128 20 0 GBADRO NC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000504661681 1072584261 /nfs/dbraw/zinc/58/42/61/1072584261.db2.gz QJGIAGYSIHJBJC-HXUWFJFHSA-N 1 0 397.435 -0.128 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCn3cc(C(=O)OC)nn3)C2)CC1 ZINC000504688891 1072584356 /nfs/dbraw/zinc/58/43/56/1072584356.db2.gz AMTUMGPBOCLBFC-AWEZNQCLSA-N 1 0 379.465 -0.514 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCn3cc(C(=O)OC)nn3)C2)CC1 ZINC000504688892 1072584374 /nfs/dbraw/zinc/58/43/74/1072584374.db2.gz AMTUMGPBOCLBFC-CQSZACIVSA-N 1 0 379.465 -0.514 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1 ZINC000504722093 1072585948 /nfs/dbraw/zinc/58/59/48/1072585948.db2.gz GDDNBISNFCBLBJ-UHFFFAOYSA-N 1 0 381.481 -0.268 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1 ZINC000504734109 1072585420 /nfs/dbraw/zinc/58/54/20/1072585420.db2.gz NZTVQQPTBXIONC-UHFFFAOYSA-N 1 0 380.449 -0.182 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000504739989 1072585387 /nfs/dbraw/zinc/58/53/87/1072585387.db2.gz HFPFTFQLUHOKIT-UHFFFAOYSA-N 1 0 393.492 -0.266 20 0 GBADRO COC(=O)c1cn(CCNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)nn1 ZINC000504742997 1072586223 /nfs/dbraw/zinc/58/62/23/1072586223.db2.gz ZCFHAVBQQLUHNY-UHFFFAOYSA-N 1 0 381.481 -0.220 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nn1 ZINC000504754940 1072586103 /nfs/dbraw/zinc/58/61/03/1072586103.db2.gz FTHGIFVYKAROHG-GDBMZVCRSA-N 1 0 393.492 -0.268 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC000504754941 1072586319 /nfs/dbraw/zinc/58/63/19/1072586319.db2.gz FTHGIFVYKAROHG-GOEBONIOSA-N 1 0 393.492 -0.268 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC000504754943 1072585734 /nfs/dbraw/zinc/58/57/34/1072585734.db2.gz FTHGIFVYKAROHG-HOCLYGCPSA-N 1 0 393.492 -0.268 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nn1 ZINC000504754944 1072586208 /nfs/dbraw/zinc/58/62/08/1072586208.db2.gz FTHGIFVYKAROHG-ZBFHGGJFSA-N 1 0 393.492 -0.268 20 0 GBADRO COc1cc(CNC(=O)CN2CCS(=O)(=O)CC2)ccc1OCC[NH+](C)C ZINC000504780301 1072586942 /nfs/dbraw/zinc/58/69/42/1072586942.db2.gz YYDRQKUVKYKHNR-UHFFFAOYSA-N 1 0 399.513 -0.018 20 0 GBADRO COC1(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCC1 ZINC000504808329 1072587170 /nfs/dbraw/zinc/58/71/70/1072587170.db2.gz APXYKXBMEALXHD-UHFFFAOYSA-N 1 0 380.449 -0.815 20 0 GBADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000504830113 1072587758 /nfs/dbraw/zinc/58/77/58/1072587758.db2.gz DNVFJDPOGTUSPZ-INIZCTEOSA-N 1 0 397.520 -0.325 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000504832696 1072587736 /nfs/dbraw/zinc/58/77/36/1072587736.db2.gz YHJJYUYUKGOYIK-KRWDZBQOSA-N 1 0 385.486 -0.250 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000504832697 1072587722 /nfs/dbraw/zinc/58/77/22/1072587722.db2.gz YHJJYUYUKGOYIK-QGZVFWFLSA-N 1 0 385.486 -0.250 20 0 GBADRO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c(OCC[NH+](C)C)c1 ZINC000504840756 1072587941 /nfs/dbraw/zinc/58/79/41/1072587941.db2.gz WEDIDJVIMGCMBY-UHFFFAOYSA-N 1 0 392.456 -0.463 20 0 GBADRO O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000504845706 1072588603 /nfs/dbraw/zinc/58/86/03/1072588603.db2.gz KJDXOMZEOVGDIW-UHFFFAOYSA-N 1 0 388.468 -0.074 20 0 GBADRO Cc1nc(C(=O)NC[C@@](C)(O)C[NH+](C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000504877244 1072589541 /nfs/dbraw/zinc/58/95/41/1072589541.db2.gz SZQYDFQHXCMYKA-GFCCVEGCSA-N 1 0 376.343 -0.245 20 0 GBADRO Cc1nc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000504877246 1072589670 /nfs/dbraw/zinc/58/96/70/1072589670.db2.gz SZQYDFQHXCMYKA-LBPRGKRZSA-N 1 0 376.343 -0.245 20 0 GBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000504890182 1072591224 /nfs/dbraw/zinc/59/12/24/1072591224.db2.gz ZJBOQRXASYKSKG-UHFFFAOYSA-N 1 0 378.429 -0.771 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)NC3CC3)cn2)CC1 ZINC000504993458 1072604323 /nfs/dbraw/zinc/60/43/23/1072604323.db2.gz CBDJTZKTWNAWNN-UHFFFAOYSA-N 1 0 396.517 -0.286 20 0 GBADRO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)NC1CC1)[NH+]1CCN(C)CC1 ZINC000504995224 530450353 /nfs/dbraw/zinc/45/03/53/530450353.db2.gz ZESVGVFLYMLGGU-HNNXBMFYSA-N 1 0 375.539 -0.361 20 0 GBADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)NC1CC1)[NH+]1CCN(C)CC1 ZINC000504995225 530450328 /nfs/dbraw/zinc/45/03/28/530450328.db2.gz ZESVGVFLYMLGGU-OAHLLOKOSA-N 1 0 375.539 -0.361 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000505021760 1072607508 /nfs/dbraw/zinc/60/75/08/1072607508.db2.gz XCEQLOBPHRWWCL-KBPBESRZSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000505021761 1072607596 /nfs/dbraw/zinc/60/75/96/1072607596.db2.gz XCEQLOBPHRWWCL-KGLIPLIRSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000505021762 1072607676 /nfs/dbraw/zinc/60/76/76/1072607676.db2.gz XCEQLOBPHRWWCL-UONOGXRCSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000505021763 1072607856 /nfs/dbraw/zinc/60/78/56/1072607856.db2.gz XCEQLOBPHRWWCL-ZIAGYGMSSA-N 1 0 376.461 -0.181 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000505027084 1072607469 /nfs/dbraw/zinc/60/74/69/1072607469.db2.gz NOPZKHIYZOZACN-AWEZNQCLSA-N 1 0 376.461 -0.180 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000505027085 1072607387 /nfs/dbraw/zinc/60/73/87/1072607387.db2.gz NOPZKHIYZOZACN-CQSZACIVSA-N 1 0 376.461 -0.180 20 0 GBADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000505037755 1072607519 /nfs/dbraw/zinc/60/75/19/1072607519.db2.gz FORSXTMLMXCGDI-UHFFFAOYSA-N 1 0 388.472 -0.196 20 0 GBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@H](F)C[C@H]3C(N)=O)cn2)CC1 ZINC000505078938 1072608590 /nfs/dbraw/zinc/60/85/90/1072608590.db2.gz WLLAYVSWKQIROC-RISCZKNCSA-N 1 0 393.419 -0.083 20 0 GBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000505170916 1072609243 /nfs/dbraw/zinc/60/92/43/1072609243.db2.gz JPPYLDQYBGXEMW-GFCCVEGCSA-N 1 0 388.490 -0.716 20 0 GBADRO C[NH+](C)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000505170917 1072609122 /nfs/dbraw/zinc/60/91/22/1072609122.db2.gz JPPYLDQYBGXEMW-LBPRGKRZSA-N 1 0 388.490 -0.716 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000505189096 1072610042 /nfs/dbraw/zinc/61/00/42/1072610042.db2.gz HTGZDMVXNKPTGD-UHFFFAOYSA-N 1 0 378.408 -0.040 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000505258172 1072611031 /nfs/dbraw/zinc/61/10/31/1072611031.db2.gz RPAGYVCFJCMPKH-UHFFFAOYSA-N 1 0 388.428 -0.165 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[C@@H]2CCCCO2)cn1 ZINC000505300392 1072612943 /nfs/dbraw/zinc/61/29/43/1072612943.db2.gz TYRHWHXENOLXHJ-HNNXBMFYSA-N 1 0 394.476 -0.425 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[C@H]2CCCCO2)cn1 ZINC000505300393 1072613243 /nfs/dbraw/zinc/61/32/43/1072613243.db2.gz TYRHWHXENOLXHJ-OAHLLOKOSA-N 1 0 394.476 -0.425 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000505361455 1072615111 /nfs/dbraw/zinc/61/51/11/1072615111.db2.gz FVYVTAPAOYWBDJ-UHFFFAOYSA-N 1 0 386.456 -0.196 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000505367682 1072615050 /nfs/dbraw/zinc/61/50/50/1072615050.db2.gz DNIOJJZFUDVRBL-INIZCTEOSA-N 1 0 392.504 -0.085 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000505367684 1072615098 /nfs/dbraw/zinc/61/50/98/1072615098.db2.gz DNIOJJZFUDVRBL-MRXNPFEDSA-N 1 0 392.504 -0.085 20 0 GBADRO C[NH+]1CCC(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000505370630 1072614752 /nfs/dbraw/zinc/61/47/52/1072614752.db2.gz OTQGCNMBFVXKOF-UHFFFAOYSA-N 1 0 394.497 -0.121 20 0 GBADRO C[NH+]1CCC(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000505435899 1072631029 /nfs/dbraw/zinc/63/10/29/1072631029.db2.gz AIHDUAOTQUYQBF-UHFFFAOYSA-N 1 0 382.442 -0.300 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000505514754 1072644270 /nfs/dbraw/zinc/64/42/70/1072644270.db2.gz LFNOQGYYQJPIMZ-KRWDZBQOSA-N 1 0 388.534 -0.235 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000505514759 1072644160 /nfs/dbraw/zinc/64/41/60/1072644160.db2.gz LFNOQGYYQJPIMZ-QGZVFWFLSA-N 1 0 388.534 -0.235 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C2)C1 ZINC000505521740 1072645140 /nfs/dbraw/zinc/64/51/40/1072645140.db2.gz SAFYQDXPLHKGRP-INIZCTEOSA-N 1 0 384.458 -0.399 20 0 GBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C2)C1 ZINC000505521741 1072645694 /nfs/dbraw/zinc/64/56/94/1072645694.db2.gz SAFYQDXPLHKGRP-MRXNPFEDSA-N 1 0 384.458 -0.399 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)C1 ZINC000505569998 1072652491 /nfs/dbraw/zinc/65/24/91/1072652491.db2.gz ZGVNTPJNCOYMBE-DAYGRLMNSA-N 1 0 383.514 -0.034 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)C1 ZINC000505569999 1072652613 /nfs/dbraw/zinc/65/26/13/1072652613.db2.gz ZGVNTPJNCOYMBE-MPGHIAIKSA-N 1 0 383.514 -0.034 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)C1 ZINC000505570000 1072652451 /nfs/dbraw/zinc/65/24/51/1072652451.db2.gz ZGVNTPJNCOYMBE-RKVPGOIHSA-N 1 0 383.514 -0.034 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)C1 ZINC000505570001 1072652514 /nfs/dbraw/zinc/65/25/14/1072652514.db2.gz ZGVNTPJNCOYMBE-VKJFTORMSA-N 1 0 383.514 -0.034 20 0 GBADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)NCCCN1CCCC1=O ZINC000505585835 1072657043 /nfs/dbraw/zinc/65/70/43/1072657043.db2.gz QFVIIALSLBCLHN-INIZCTEOSA-N 1 0 380.489 -0.314 20 0 GBADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCCCN1CCCC1=O ZINC000505585836 1072656805 /nfs/dbraw/zinc/65/68/05/1072656805.db2.gz QFVIIALSLBCLHN-MRXNPFEDSA-N 1 0 380.489 -0.314 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000505650866 1072682769 /nfs/dbraw/zinc/68/27/69/1072682769.db2.gz WBJKCRGCFBGVBC-UHFFFAOYSA-N 1 0 375.429 -0.735 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000505651376 1072683438 /nfs/dbraw/zinc/68/34/38/1072683438.db2.gz JQTVJTUHCYWSAB-UHFFFAOYSA-N 1 0 389.456 -0.299 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000505677560 1072692284 /nfs/dbraw/zinc/69/22/84/1072692284.db2.gz MFIDXNJWOISSCD-DOMZBBRYSA-N 1 0 389.456 -0.300 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000505677561 1072692198 /nfs/dbraw/zinc/69/21/98/1072692198.db2.gz MFIDXNJWOISSCD-IUODEOHRSA-N 1 0 389.456 -0.300 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000505677562 1072691905 /nfs/dbraw/zinc/69/19/05/1072691905.db2.gz MFIDXNJWOISSCD-SWLSCSKDSA-N 1 0 389.456 -0.300 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000505677563 1072692319 /nfs/dbraw/zinc/69/23/19/1072692319.db2.gz MFIDXNJWOISSCD-WFASDCNBSA-N 1 0 389.456 -0.300 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000505677748 1072691509 /nfs/dbraw/zinc/69/15/09/1072691509.db2.gz NAIIPPPESCJBFY-INIZCTEOSA-N 1 0 399.451 -0.426 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000505677749 1072691094 /nfs/dbraw/zinc/69/10/94/1072691094.db2.gz NAIIPPPESCJBFY-MRXNPFEDSA-N 1 0 399.451 -0.426 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000505811040 1072744125 /nfs/dbraw/zinc/74/41/25/1072744125.db2.gz FGBPUVMHCPUHFR-AWEZNQCLSA-N 1 0 390.488 -0.080 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000505811041 1072744170 /nfs/dbraw/zinc/74/41/70/1072744170.db2.gz FGBPUVMHCPUHFR-CQSZACIVSA-N 1 0 390.488 -0.080 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000505817112 1072745552 /nfs/dbraw/zinc/74/55/52/1072745552.db2.gz GBWDOXVEORTPTJ-UHFFFAOYSA-N 1 0 389.456 -0.297 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000505827233 1072747113 /nfs/dbraw/zinc/74/71/13/1072747113.db2.gz VOJNWNPTOSNYLF-UHFFFAOYSA-N 1 0 391.472 -0.012 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)s1 ZINC000505839506 530450738 /nfs/dbraw/zinc/45/07/38/530450738.db2.gz MUIAWNIBSZLBIT-GHMZBOCLSA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000505839508 530450771 /nfs/dbraw/zinc/45/07/71/530450771.db2.gz MUIAWNIBSZLBIT-MNOVXSKESA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)s1 ZINC000505839509 530450866 /nfs/dbraw/zinc/45/08/66/530450866.db2.gz MUIAWNIBSZLBIT-QWRGUYRKSA-N 1 0 388.515 -0.129 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)s1 ZINC000505839512 530450782 /nfs/dbraw/zinc/45/07/82/530450782.db2.gz MUIAWNIBSZLBIT-WDEREUQCSA-N 1 0 388.515 -0.129 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000505855527 1072755809 /nfs/dbraw/zinc/75/58/09/1072755809.db2.gz PZJJXCVCOPNOSW-UHFFFAOYSA-N 1 0 377.445 -0.443 20 0 GBADRO CN(CCCNC(=O)CN1CCC[C@H](c2nnc3n2CCC3)C1)S(C)(=O)=O ZINC000505869471 1072759680 /nfs/dbraw/zinc/75/96/80/1072759680.db2.gz YCSAJMAWVMOIRS-AWEZNQCLSA-N 1 0 398.533 -0.199 20 0 GBADRO CN(CCCNC(=O)CN1CCC[C@@H](c2nnc3n2CCC3)C1)S(C)(=O)=O ZINC000505869472 1072759270 /nfs/dbraw/zinc/75/92/70/1072759270.db2.gz YCSAJMAWVMOIRS-CQSZACIVSA-N 1 0 398.533 -0.199 20 0 GBADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@H](C)C[NH2+]1 ZINC000505875617 1072761642 /nfs/dbraw/zinc/76/16/42/1072761642.db2.gz YQNGOWFKAAZJNE-CHWSQXEVSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@@H](C)C[NH2+]1 ZINC000505875618 1072761574 /nfs/dbraw/zinc/76/15/74/1072761574.db2.gz YQNGOWFKAAZJNE-OLZOCXBDSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000505875619 1072761247 /nfs/dbraw/zinc/76/12/47/1072761247.db2.gz YQNGOWFKAAZJNE-QWHCGFSZSA-N 1 0 380.470 -0.371 20 0 GBADRO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@@H](C)C[NH2+]1 ZINC000505875620 1072761165 /nfs/dbraw/zinc/76/11/65/1072761165.db2.gz YQNGOWFKAAZJNE-STQMWFEESA-N 1 0 380.470 -0.371 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000505876617 1072761619 /nfs/dbraw/zinc/76/16/19/1072761619.db2.gz GEJFUTRZBBOJPS-UHFFFAOYSA-N 1 0 389.456 -0.297 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000505878695 1072762559 /nfs/dbraw/zinc/76/25/59/1072762559.db2.gz XYYFTHFBIZUCLN-UHFFFAOYSA-N 1 0 391.472 -0.053 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000505948711 1072774832 /nfs/dbraw/zinc/77/48/32/1072774832.db2.gz QAPNEWGIXFJREJ-UHFFFAOYSA-N 1 0 396.517 -0.052 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000506003715 1072796407 /nfs/dbraw/zinc/79/64/07/1072796407.db2.gz VQWVABXRAVZBNZ-CABCVRRESA-N 1 0 392.504 -0.064 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000506003716 1072796919 /nfs/dbraw/zinc/79/69/19/1072796919.db2.gz VQWVABXRAVZBNZ-GJZGRUSLSA-N 1 0 392.504 -0.064 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000506003717 1072796842 /nfs/dbraw/zinc/79/68/42/1072796842.db2.gz VQWVABXRAVZBNZ-HUUCEWRRSA-N 1 0 392.504 -0.064 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000506003718 1072796593 /nfs/dbraw/zinc/79/65/93/1072796593.db2.gz VQWVABXRAVZBNZ-LSDHHAIUSA-N 1 0 392.504 -0.064 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000506009831 530450689 /nfs/dbraw/zinc/45/06/89/530450689.db2.gz MVAHGEAGWBWKJP-HNNXBMFYSA-N 1 0 376.523 -0.364 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000506009832 530450683 /nfs/dbraw/zinc/45/06/83/530450683.db2.gz MVAHGEAGWBWKJP-OAHLLOKOSA-N 1 0 376.523 -0.364 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCC2([NH+](C)C)CCOCC2)cn1C ZINC000506022724 1072801440 /nfs/dbraw/zinc/80/14/40/1072801440.db2.gz ORXYJFYGZKAKTK-UHFFFAOYSA-N 1 0 387.506 -0.376 20 0 GBADRO CN(CCOCCO)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000506053240 1072817527 /nfs/dbraw/zinc/81/75/27/1072817527.db2.gz FQXQOYGYBYSXLH-UHFFFAOYSA-N 1 0 380.445 -0.040 20 0 GBADRO CN(CCOCCO)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000506080433 1072831853 /nfs/dbraw/zinc/83/18/53/1072831853.db2.gz XWUVHFABHISXST-UHFFFAOYSA-N 1 0 394.428 -0.438 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000506137505 530450680 /nfs/dbraw/zinc/45/06/80/530450680.db2.gz OORMHMFVMNBGLS-KBPBESRZSA-N 1 0 376.523 -0.222 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000506137506 530450956 /nfs/dbraw/zinc/45/09/56/530450956.db2.gz OORMHMFVMNBGLS-OKILXGFUSA-N 1 0 376.523 -0.222 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000506137507 530450686 /nfs/dbraw/zinc/45/06/86/530450686.db2.gz OORMHMFVMNBGLS-ZIAGYGMSSA-N 1 0 376.523 -0.222 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000506161153 530450805 /nfs/dbraw/zinc/45/08/05/530450805.db2.gz VDXVHMIMBIHERR-AWEZNQCLSA-N 1 0 377.507 -0.058 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000506161154 530450671 /nfs/dbraw/zinc/45/06/71/530450671.db2.gz VDXVHMIMBIHERR-CQSZACIVSA-N 1 0 377.507 -0.058 20 0 GBADRO COCCN1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1C ZINC000506161851 1072859988 /nfs/dbraw/zinc/85/99/88/1072859988.db2.gz XCAZHLAKDLLXDM-HNNXBMFYSA-N 1 0 379.457 -0.147 20 0 GBADRO COCCN1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1C ZINC000506161852 1072860360 /nfs/dbraw/zinc/86/03/60/1072860360.db2.gz XCAZHLAKDLLXDM-OAHLLOKOSA-N 1 0 379.457 -0.147 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506168584 1072863040 /nfs/dbraw/zinc/86/30/40/1072863040.db2.gz MZZVEYSMXXPROQ-UHFFFAOYSA-N 1 0 393.484 -0.021 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506168612 1072862294 /nfs/dbraw/zinc/86/22/94/1072862294.db2.gz NILNFFHVHAEPOD-UHFFFAOYSA-N 1 0 379.457 -0.145 20 0 GBADRO O=C(C(=O)N1CCN(Cc2ccc(-n3cncn3)cc2)CC1)N1CCOCC1 ZINC000506181094 1072867784 /nfs/dbraw/zinc/86/77/84/1072867784.db2.gz YDVIDRISPRSOJA-UHFFFAOYSA-N 1 0 384.440 -0.230 20 0 GBADRO CC(C)(O)CN1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506184447 1072870386 /nfs/dbraw/zinc/87/03/86/1072870386.db2.gz XHKJBKYDCIMUDK-UHFFFAOYSA-N 1 0 379.457 -0.411 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1OCCO ZINC000506184640 1072869964 /nfs/dbraw/zinc/86/99/64/1072869964.db2.gz YOUMZRDYSFMRSF-UHFFFAOYSA-N 1 0 392.500 -0.230 20 0 GBADRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000506238715 1072888336 /nfs/dbraw/zinc/88/83/36/1072888336.db2.gz CHSSSIRXHNIMOY-HNNXBMFYSA-N 1 0 380.489 -0.506 20 0 GBADRO COC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000506238717 1072888139 /nfs/dbraw/zinc/88/81/39/1072888139.db2.gz CHSSSIRXHNIMOY-OAHLLOKOSA-N 1 0 380.489 -0.506 20 0 GBADRO COC(=O)[C@H]1CC12CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2 ZINC000506253940 530451268 /nfs/dbraw/zinc/45/12/68/530451268.db2.gz KICPMFBAMXGPII-CYBMUJFWSA-N 1 0 375.491 -0.341 20 0 GBADRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2 ZINC000506253941 530451304 /nfs/dbraw/zinc/45/13/04/530451304.db2.gz KICPMFBAMXGPII-ZDUSSCGKSA-N 1 0 375.491 -0.341 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@](C)(O)C[NH+](C)C)s1 ZINC000506336229 530451084 /nfs/dbraw/zinc/45/10/84/530451084.db2.gz XOFAAWCCLZKVIW-AWEZNQCLSA-N 1 0 378.520 -0.053 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)s1 ZINC000506336230 530451078 /nfs/dbraw/zinc/45/10/78/530451078.db2.gz XOFAAWCCLZKVIW-CQSZACIVSA-N 1 0 378.520 -0.053 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC1 ZINC000506342732 1072906846 /nfs/dbraw/zinc/90/68/46/1072906846.db2.gz UBROWYLXGXQBHV-UHFFFAOYSA-N 1 0 396.517 -0.052 20 0 GBADRO COC(=O)c1cnoc1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O ZINC000506385533 1072912704 /nfs/dbraw/zinc/91/27/04/1072912704.db2.gz ZELDTMRPRURHKO-UHFFFAOYSA-N 1 0 380.357 -0.526 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506406625 1072915637 /nfs/dbraw/zinc/91/56/37/1072915637.db2.gz SSGYWRUIPGJAKT-INIZCTEOSA-N 1 0 387.484 -0.268 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506406630 1072915701 /nfs/dbraw/zinc/91/57/01/1072915701.db2.gz SSGYWRUIPGJAKT-MRXNPFEDSA-N 1 0 387.484 -0.268 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](CO)O1 ZINC000506409688 1072915842 /nfs/dbraw/zinc/91/58/42/1072915842.db2.gz PNUVQOIMEMBELO-PBHICJAKSA-N 1 0 375.469 -0.190 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H](CO)O1 ZINC000506409690 1072915916 /nfs/dbraw/zinc/91/59/16/1072915916.db2.gz PNUVQOIMEMBELO-RHSMWYFYSA-N 1 0 375.469 -0.190 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H](CO)O1 ZINC000506409692 1072915894 /nfs/dbraw/zinc/91/58/94/1072915894.db2.gz PNUVQOIMEMBELO-WMLDXEAASA-N 1 0 375.469 -0.190 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](CO)O1 ZINC000506409694 1072915737 /nfs/dbraw/zinc/91/57/37/1072915737.db2.gz PNUVQOIMEMBELO-YOEHRIQHSA-N 1 0 375.469 -0.190 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)Cc2ccccc2C1 ZINC000506431581 1072920457 /nfs/dbraw/zinc/92/04/57/1072920457.db2.gz VDSQTQQKVVCKLZ-GOSISDBHSA-N 1 0 386.496 -0.255 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)Cc2ccccc2C1 ZINC000506431601 1072920195 /nfs/dbraw/zinc/92/01/95/1072920195.db2.gz VDSQTQQKVVCKLZ-SFHVURJKSA-N 1 0 386.496 -0.255 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)Cc2ccccc2C1 ZINC000506436531 1072921131 /nfs/dbraw/zinc/92/11/31/1072921131.db2.gz FONCGUGAAXUGEW-HNNXBMFYSA-N 1 0 394.497 -0.909 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)Cc2ccccc2C1 ZINC000506436532 1072921362 /nfs/dbraw/zinc/92/13/62/1072921362.db2.gz FONCGUGAAXUGEW-OAHLLOKOSA-N 1 0 394.497 -0.909 20 0 GBADRO Cn1cc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(=O)n(C)c1=O ZINC000506438466 1072920942 /nfs/dbraw/zinc/92/09/42/1072920942.db2.gz IPEXDJRMWOCZFF-UHFFFAOYSA-N 1 0 393.469 -0.946 20 0 GBADRO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506439400 1072921403 /nfs/dbraw/zinc/92/14/03/1072921403.db2.gz QNVDGGVJQUWWJD-UHFFFAOYSA-N 1 0 389.500 -0.069 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000506482043 1072930153 /nfs/dbraw/zinc/93/01/53/1072930153.db2.gz AHLCRIBQSCWGOL-IBGZPJMESA-N 1 0 392.504 -0.268 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000506482049 1072929829 /nfs/dbraw/zinc/92/98/29/1072929829.db2.gz AHLCRIBQSCWGOL-LJQANCHMSA-N 1 0 392.504 -0.268 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000506492723 1072932221 /nfs/dbraw/zinc/93/22/21/1072932221.db2.gz VNKKCPCDZZGKSU-MSOLQXFVSA-N 1 0 377.445 -0.147 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000506492724 1072932323 /nfs/dbraw/zinc/93/23/23/1072932323.db2.gz VNKKCPCDZZGKSU-QZTJIDSGSA-N 1 0 377.445 -0.147 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000506492725 1072932185 /nfs/dbraw/zinc/93/21/85/1072932185.db2.gz VNKKCPCDZZGKSU-ROUUACIJSA-N 1 0 377.445 -0.147 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000506492726 1072932507 /nfs/dbraw/zinc/93/25/07/1072932507.db2.gz VNKKCPCDZZGKSU-ZWKOTPCHSA-N 1 0 377.445 -0.147 20 0 GBADRO CCOC[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000506567032 1072949204 /nfs/dbraw/zinc/94/92/04/1072949204.db2.gz PWPGETYPQLLOSJ-GOSISDBHSA-N 1 0 396.532 -0.262 20 0 GBADRO CCOC[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000506567033 1072949327 /nfs/dbraw/zinc/94/93/27/1072949327.db2.gz PWPGETYPQLLOSJ-SFHVURJKSA-N 1 0 396.532 -0.262 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000506637678 1072962567 /nfs/dbraw/zinc/96/25/67/1072962567.db2.gz ZRDZZBIHLYUZDX-AWEZNQCLSA-N 1 0 389.456 -0.489 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000506637681 1072962657 /nfs/dbraw/zinc/96/26/57/1072962657.db2.gz ZRDZZBIHLYUZDX-CQSZACIVSA-N 1 0 389.456 -0.489 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000506739434 530451714 /nfs/dbraw/zinc/45/17/14/530451714.db2.gz RSORYPIDRGRYBH-DZGCQCFKSA-N 1 0 380.511 -0.913 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000506739435 530451578 /nfs/dbraw/zinc/45/15/78/530451578.db2.gz RSORYPIDRGRYBH-HIFRSBDPSA-N 1 0 380.511 -0.913 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000506739436 530451587 /nfs/dbraw/zinc/45/15/87/530451587.db2.gz RSORYPIDRGRYBH-UKRRQHHQSA-N 1 0 380.511 -0.913 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000506739437 530451492 /nfs/dbraw/zinc/45/14/92/530451492.db2.gz RSORYPIDRGRYBH-ZFWWWQNUSA-N 1 0 380.511 -0.913 20 0 GBADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000506740044 1072984500 /nfs/dbraw/zinc/98/45/00/1072984500.db2.gz XJDQHEPDRXAGEA-MSOLQXFVSA-N 1 0 391.516 -0.095 20 0 GBADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000506740045 1072984214 /nfs/dbraw/zinc/98/42/14/1072984214.db2.gz XJDQHEPDRXAGEA-ROUUACIJSA-N 1 0 391.516 -0.095 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000506768205 1072990374 /nfs/dbraw/zinc/99/03/74/1072990374.db2.gz SJCDGMZVPMIOMS-CYBMUJFWSA-N 1 0 380.470 -0.170 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000506768206 1072989997 /nfs/dbraw/zinc/98/99/97/1072989997.db2.gz SJCDGMZVPMIOMS-ZDUSSCGKSA-N 1 0 380.470 -0.170 20 0 GBADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCOCC1 ZINC000506793291 530451631 /nfs/dbraw/zinc/45/16/31/530451631.db2.gz FDYSBLUVVATISO-UHFFFAOYSA-N 1 0 394.563 -0.225 20 0 GBADRO C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000506922770 1073038469 /nfs/dbraw/zinc/03/84/69/1073038469.db2.gz QIRHQYAKKMWCAU-DOTOQJQBSA-N 1 0 387.484 -0.106 20 0 GBADRO C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000506922771 1073039465 /nfs/dbraw/zinc/03/94/65/1073039465.db2.gz QIRHQYAKKMWCAU-NVXWUHKLSA-N 1 0 387.484 -0.106 20 0 GBADRO C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000506922772 1073039170 /nfs/dbraw/zinc/03/91/70/1073039170.db2.gz QIRHQYAKKMWCAU-RDJZCZTQSA-N 1 0 387.484 -0.106 20 0 GBADRO C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000506922773 1073039264 /nfs/dbraw/zinc/03/92/64/1073039264.db2.gz QIRHQYAKKMWCAU-WBVHZDCISA-N 1 0 387.484 -0.106 20 0 GBADRO CN1CCN(c2ncc(C[NH+]3CCC(C(=O)NCCCO)CC3)cn2)CC1 ZINC000506925406 1073039398 /nfs/dbraw/zinc/03/93/98/1073039398.db2.gz IIFNLQULZBATGN-UHFFFAOYSA-N 1 0 376.505 -0.061 20 0 GBADRO CO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000507046364 1073044705 /nfs/dbraw/zinc/04/47/05/1073044705.db2.gz RNYSRQUIKJUJSP-OKILXGFUSA-N 1 0 380.449 -0.865 20 0 GBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCC[NH+]1CCCCC1 ZINC000507051392 1073044360 /nfs/dbraw/zinc/04/43/60/1073044360.db2.gz IVROEVCXRFNIQM-UHFFFAOYSA-N 1 0 382.442 -0.156 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(C3CCC3)C2)cn1 ZINC000507079796 1073045443 /nfs/dbraw/zinc/04/54/43/1073045443.db2.gz ZCXXLXMFBDBJAU-UHFFFAOYSA-N 1 0 376.461 -0.242 20 0 GBADRO C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000507128337 1073048120 /nfs/dbraw/zinc/04/81/20/1073048120.db2.gz KUTJGFQCMQTBBE-INIZCTEOSA-N 1 0 387.484 -0.105 20 0 GBADRO C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000507128338 1073048150 /nfs/dbraw/zinc/04/81/50/1073048150.db2.gz KUTJGFQCMQTBBE-MRXNPFEDSA-N 1 0 387.484 -0.105 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507146669 1073049217 /nfs/dbraw/zinc/04/92/17/1073049217.db2.gz VRHQVVCQGKDIMX-GFCCVEGCSA-N 1 0 392.441 -0.254 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000507155281 1073050126 /nfs/dbraw/zinc/05/01/26/1073050126.db2.gz RDTBGZVOUBUWLR-CVEARBPZSA-N 1 0 380.489 -0.173 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000507155282 1073050810 /nfs/dbraw/zinc/05/08/10/1073050810.db2.gz RDTBGZVOUBUWLR-HOTGVXAUSA-N 1 0 380.489 -0.173 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000507155283 1073050779 /nfs/dbraw/zinc/05/07/79/1073050779.db2.gz RDTBGZVOUBUWLR-HZPDHXFCSA-N 1 0 380.489 -0.173 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000507155284 1073050573 /nfs/dbraw/zinc/05/05/73/1073050573.db2.gz RDTBGZVOUBUWLR-JKSUJKDBSA-N 1 0 380.489 -0.173 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000507183768 530452049 /nfs/dbraw/zinc/45/20/49/530452049.db2.gz ZIYSILOQZICIJF-CABCVRRESA-N 1 0 376.523 -0.292 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000507183769 530451801 /nfs/dbraw/zinc/45/18/01/530451801.db2.gz ZIYSILOQZICIJF-GJZGRUSLSA-N 1 0 376.523 -0.292 20 0 GBADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000507183770 530452108 /nfs/dbraw/zinc/45/21/08/530452108.db2.gz ZIYSILOQZICIJF-HUUCEWRRSA-N 1 0 376.523 -0.292 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000507183771 530452121 /nfs/dbraw/zinc/45/21/21/530452121.db2.gz ZIYSILOQZICIJF-LSDHHAIUSA-N 1 0 376.523 -0.292 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 ZINC000507212164 1073051901 /nfs/dbraw/zinc/05/19/01/1073051901.db2.gz QOXQIJOADJDZHF-UHFFFAOYSA-N 1 0 399.451 -0.114 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000507323637 1073056474 /nfs/dbraw/zinc/05/64/74/1073056474.db2.gz FEZRIILBOKTGJX-UHFFFAOYSA-N 1 0 383.493 -0.523 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000507332759 1073056816 /nfs/dbraw/zinc/05/68/16/1073056816.db2.gz RNZKTAAIZMRDAX-UHFFFAOYSA-N 1 0 383.493 -0.524 20 0 GBADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCOCC1 ZINC000507335860 1073056796 /nfs/dbraw/zinc/05/67/96/1073056796.db2.gz JZYUQIMUILLGMC-UHFFFAOYSA-N 1 0 395.504 -0.427 20 0 GBADRO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCOCC1 ZINC000507340032 1073057263 /nfs/dbraw/zinc/05/72/63/1073057263.db2.gz SUMYZJSYGACCAZ-UHFFFAOYSA-N 1 0 381.477 -0.770 20 0 GBADRO C[C@H](NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC000507354132 1073057435 /nfs/dbraw/zinc/05/74/35/1073057435.db2.gz RNHGFFYCMHSRMV-INIZCTEOSA-N 1 0 395.548 -0.107 20 0 GBADRO C[C@@H](NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC000507354133 1073057225 /nfs/dbraw/zinc/05/72/25/1073057225.db2.gz RNHGFFYCMHSRMV-MRXNPFEDSA-N 1 0 395.548 -0.107 20 0 GBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507362178 1073058048 /nfs/dbraw/zinc/05/80/48/1073058048.db2.gz XKPCZMHXIANPGV-KRWDZBQOSA-N 1 0 381.521 -0.497 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507362179 1073058445 /nfs/dbraw/zinc/05/84/45/1073058445.db2.gz XKPCZMHXIANPGV-QGZVFWFLSA-N 1 0 381.521 -0.497 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(CC)C[C@H]2C)c1=O ZINC000507364113 1073058186 /nfs/dbraw/zinc/05/81/86/1073058186.db2.gz YKJHXRVSCOQAKU-CYBMUJFWSA-N 1 0 378.429 -0.098 20 0 GBADRO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(CC)C[C@@H]2C)c1=O ZINC000507364114 1073058322 /nfs/dbraw/zinc/05/83/22/1073058322.db2.gz YKJHXRVSCOQAKU-ZDUSSCGKSA-N 1 0 378.429 -0.098 20 0 GBADRO COC(=O)C1CCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507370452 1073058541 /nfs/dbraw/zinc/05/85/41/1073058541.db2.gz WDDPFVUPXVNQLN-UHFFFAOYSA-N 1 0 382.505 -0.212 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000507375408 1073057245 /nfs/dbraw/zinc/05/72/45/1073057245.db2.gz NVUQWDLSOPIWNQ-UHFFFAOYSA-N 1 0 397.564 -0.397 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000507377435 1073057525 /nfs/dbraw/zinc/05/75/25/1073057525.db2.gz COQPGJZWWADGDY-INIZCTEOSA-N 1 0 380.489 -0.172 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000507377436 1073057452 /nfs/dbraw/zinc/05/74/52/1073057452.db2.gz COQPGJZWWADGDY-MRXNPFEDSA-N 1 0 380.489 -0.172 20 0 GBADRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507404798 1073059652 /nfs/dbraw/zinc/05/96/52/1073059652.db2.gz QOOKMFREXCKBJO-AWEZNQCLSA-N 1 0 381.521 -0.498 20 0 GBADRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507404802 1073059893 /nfs/dbraw/zinc/05/98/93/1073059893.db2.gz QOOKMFREXCKBJO-CQSZACIVSA-N 1 0 381.521 -0.498 20 0 GBADRO CCN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000507405536 1073059870 /nfs/dbraw/zinc/05/98/70/1073059870.db2.gz QJVGYUCNDWDRSN-AWEZNQCLSA-N 1 0 393.492 -0.948 20 0 GBADRO CCN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000507405547 1073059934 /nfs/dbraw/zinc/05/99/34/1073059934.db2.gz QJVGYUCNDWDRSN-CQSZACIVSA-N 1 0 393.492 -0.948 20 0 GBADRO COc1ccc(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1S(N)(=O)=O ZINC000507416345 1073060654 /nfs/dbraw/zinc/06/06/54/1073060654.db2.gz WBIUIFINMQSMHG-INIZCTEOSA-N 1 0 386.474 -0.749 20 0 GBADRO COc1ccc(CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1S(N)(=O)=O ZINC000507416346 1073060441 /nfs/dbraw/zinc/06/04/41/1073060441.db2.gz WBIUIFINMQSMHG-MRXNPFEDSA-N 1 0 386.474 -0.749 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000507427020 1073062378 /nfs/dbraw/zinc/06/23/78/1073062378.db2.gz WCRYDHHEAWFUBY-UHFFFAOYSA-N 1 0 381.399 -0.236 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N(CCOC)CCOC)CC1 ZINC000507534200 1073066451 /nfs/dbraw/zinc/06/64/51/1073066451.db2.gz OOAJUZMVFZFHJN-UHFFFAOYSA-N 1 0 394.538 -0.688 20 0 GBADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H](C)C[NH2+]1 ZINC000507610367 1073073040 /nfs/dbraw/zinc/07/30/40/1073073040.db2.gz JDKANPTVMYJNSG-CHWSQXEVSA-N 1 0 382.486 -0.125 20 0 GBADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000507610368 1073073498 /nfs/dbraw/zinc/07/34/98/1073073498.db2.gz JDKANPTVMYJNSG-OLZOCXBDSA-N 1 0 382.486 -0.125 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000507610369 1073073013 /nfs/dbraw/zinc/07/30/13/1073073013.db2.gz JDKANPTVMYJNSG-QWHCGFSZSA-N 1 0 382.486 -0.125 20 0 GBADRO C[C@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000507610370 1073072302 /nfs/dbraw/zinc/07/23/02/1073072302.db2.gz JDKANPTVMYJNSG-STQMWFEESA-N 1 0 382.486 -0.125 20 0 GBADRO CN(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1COC[C@H]1O ZINC000507643347 1073074547 /nfs/dbraw/zinc/07/45/47/1073074547.db2.gz BLUXUPYIZPFXFW-HUUCEWRRSA-N 1 0 378.429 -0.267 20 0 GBADRO C[C@H]1CSC[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507656328 1073075583 /nfs/dbraw/zinc/07/55/83/1073075583.db2.gz CKIRQLPIOLAKAB-AAEUAGOBSA-N 1 0 382.490 -0.633 20 0 GBADRO C[C@@H]1CSC[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507656330 1073075208 /nfs/dbraw/zinc/07/52/08/1073075208.db2.gz CKIRQLPIOLAKAB-DGCLKSJQSA-N 1 0 382.490 -0.633 20 0 GBADRO C[C@H]1CSC[C@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507656331 1073075132 /nfs/dbraw/zinc/07/51/32/1073075132.db2.gz CKIRQLPIOLAKAB-WCQYABFASA-N 1 0 382.490 -0.633 20 0 GBADRO C[C@@H]1CSC[C@@H]1NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507656332 1073075072 /nfs/dbraw/zinc/07/50/72/1073075072.db2.gz CKIRQLPIOLAKAB-YPMHNXCESA-N 1 0 382.490 -0.633 20 0 GBADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000507668077 1073075398 /nfs/dbraw/zinc/07/53/98/1073075398.db2.gz OOKUPBJLKVVIHZ-DZGCQCFKSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000507668080 1073075507 /nfs/dbraw/zinc/07/55/07/1073075507.db2.gz OOKUPBJLKVVIHZ-HIFRSBDPSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000507668081 1073075407 /nfs/dbraw/zinc/07/54/07/1073075407.db2.gz OOKUPBJLKVVIHZ-UKRRQHHQSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000507668082 1073075451 /nfs/dbraw/zinc/07/54/51/1073075451.db2.gz OOKUPBJLKVVIHZ-ZFWWWQNUSA-N 1 0 376.461 -0.005 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000507668931 1073075099 /nfs/dbraw/zinc/07/50/99/1073075099.db2.gz SOOHERKNEUEXNH-UHFFFAOYSA-N 1 0 380.445 -0.242 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000507681430 1073076776 /nfs/dbraw/zinc/07/67/76/1073076776.db2.gz BBDZLEXUPOAQIB-KRWDZBQOSA-N 1 0 397.564 -0.254 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000507681431 1073076877 /nfs/dbraw/zinc/07/68/77/1073076877.db2.gz BBDZLEXUPOAQIB-QGZVFWFLSA-N 1 0 397.564 -0.254 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000507681708 1073076962 /nfs/dbraw/zinc/07/69/62/1073076962.db2.gz CLUDQCDQZQYYOO-UHFFFAOYSA-N 1 0 393.532 -0.447 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000507686802 1073075685 /nfs/dbraw/zinc/07/56/85/1073075685.db2.gz CVIXRQWIVNPACQ-KRWDZBQOSA-N 1 0 395.548 -0.010 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000507686803 1073076078 /nfs/dbraw/zinc/07/60/78/1073076078.db2.gz CVIXRQWIVNPACQ-QGZVFWFLSA-N 1 0 395.548 -0.010 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000507688485 1073076710 /nfs/dbraw/zinc/07/67/10/1073076710.db2.gz QRMAKLDOSHVIAS-UHFFFAOYSA-N 1 0 381.521 -0.399 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000507697677 1073076485 /nfs/dbraw/zinc/07/64/85/1073076485.db2.gz BRHAROVXHRSIHT-KRWDZBQOSA-N 1 0 381.521 -0.401 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000507697678 1073076728 /nfs/dbraw/zinc/07/67/28/1073076728.db2.gz BRHAROVXHRSIHT-QGZVFWFLSA-N 1 0 381.521 -0.401 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000507717872 1073077357 /nfs/dbraw/zinc/07/73/57/1073077357.db2.gz LHBAMNPQPBUVRU-UHFFFAOYSA-N 1 0 397.564 -0.301 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC2CCN(C(C)=O)CC2)CC1 ZINC000507718825 1073077790 /nfs/dbraw/zinc/07/77/90/1073077790.db2.gz PBWCPTKZIPAPRS-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000507742821 1073124493 /nfs/dbraw/zinc/12/44/93/1073124493.db2.gz WVCODAJHRQQKAM-HNNXBMFYSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000507742822 1073124577 /nfs/dbraw/zinc/12/45/77/1073124577.db2.gz WVCODAJHRQQKAM-OAHLLOKOSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000507746929 1073144906 /nfs/dbraw/zinc/14/49/06/1073144906.db2.gz JRAXPBHPSDHMOO-HNNXBMFYSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000507746930 1073145831 /nfs/dbraw/zinc/14/58/31/1073145831.db2.gz JRAXPBHPSDHMOO-OAHLLOKOSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000507749855 1073165528 /nfs/dbraw/zinc/16/55/28/1073165528.db2.gz SCXNRGPMVPRYRQ-CVEARBPZSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000507749857 1073165452 /nfs/dbraw/zinc/16/54/52/1073165452.db2.gz SCXNRGPMVPRYRQ-HOTGVXAUSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000507749858 1073165475 /nfs/dbraw/zinc/16/54/75/1073165475.db2.gz SCXNRGPMVPRYRQ-HZPDHXFCSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000507749860 1073165678 /nfs/dbraw/zinc/16/56/78/1073165678.db2.gz SCXNRGPMVPRYRQ-JKSUJKDBSA-N 1 0 381.521 -0.415 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000507766049 1073174362 /nfs/dbraw/zinc/17/43/62/1073174362.db2.gz ICWBTLARPMMOCQ-UHFFFAOYSA-N 1 0 381.399 -0.140 20 0 GBADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000507810673 1073199186 /nfs/dbraw/zinc/19/91/86/1073199186.db2.gz YZSRTGGKAWPSLV-UHFFFAOYSA-N 1 0 379.465 -0.361 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507838997 1073206869 /nfs/dbraw/zinc/20/68/69/1073206869.db2.gz UAHSZAJBVVOETQ-GOOCMWNKSA-N 1 0 386.518 -0.388 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507839868 1073207260 /nfs/dbraw/zinc/20/72/60/1073207260.db2.gz XPFKHMNZDFNFGE-ALOPSCKCSA-N 1 0 393.532 -0.213 20 0 GBADRO 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C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000509796111 1073879750 /nfs/dbraw/zinc/87/97/50/1073879750.db2.gz YSNNCXDSPOMCNP-DZGCQCFKSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000509796112 1073879589 /nfs/dbraw/zinc/87/95/89/1073879589.db2.gz YSNNCXDSPOMCNP-HIFRSBDPSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000509796113 1073879913 /nfs/dbraw/zinc/87/99/13/1073879913.db2.gz YSNNCXDSPOMCNP-UKRRQHHQSA-N 1 0 376.461 -0.005 20 0 GBADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000509796114 1073879491 /nfs/dbraw/zinc/87/94/91/1073879491.db2.gz YSNNCXDSPOMCNP-ZFWWWQNUSA-N 1 0 376.461 -0.005 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000509796409 530454957 /nfs/dbraw/zinc/45/49/57/530454957.db2.gz RRCRNDOWHQZBFE-CHWSQXEVSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000509796412 530454807 /nfs/dbraw/zinc/45/48/07/530454807.db2.gz RRCRNDOWHQZBFE-OLZOCXBDSA-N 1 0 375.495 -0.951 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000509826548 1073897058 /nfs/dbraw/zinc/89/70/58/1073897058.db2.gz HYNAVQKZLPLWHL-UHFFFAOYSA-N 1 0 396.536 -0.608 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000509828904 1073897018 /nfs/dbraw/zinc/89/70/18/1073897018.db2.gz VIZMTCSPWOYPRT-LBPRGKRZSA-N 1 0 383.474 -0.129 20 0 GBADRO O=C(CN1CCCN(CC(=O)NC[C@@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000509886520 1073911166 /nfs/dbraw/zinc/91/11/66/1073911166.db2.gz ORWFFIPAYPPJJQ-CALCHBBNSA-N 1 0 382.505 -0.416 20 0 GBADRO CN(C)CC[NH+]1CCC(CNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000509923411 1073955475 /nfs/dbraw/zinc/95/54/75/1073955475.db2.gz JBWPDOHOQLHCGA-UHFFFAOYSA-N 1 0 386.562 -0.032 20 0 GBADRO CN(C)CC[NH+]1CCC(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000509940100 1072158821 /nfs/dbraw/zinc/15/88/21/1072158821.db2.gz UCEDEEOHTVZKGR-UHFFFAOYSA-N 1 0 375.477 -0.480 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CO[C@@H](C)c1nccn1C ZINC000509942364 1072184098 /nfs/dbraw/zinc/18/40/98/1072184098.db2.gz KBGXYFCSQRBZPH-HNNXBMFYSA-N 1 0 381.477 -0.253 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CO[C@H](C)c1nccn1C ZINC000509942377 1072183968 /nfs/dbraw/zinc/18/39/68/1072183968.db2.gz KBGXYFCSQRBZPH-OAHLLOKOSA-N 1 0 381.477 -0.253 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000509971091 1072484332 /nfs/dbraw/zinc/48/43/32/1072484332.db2.gz QLLTXXHYMFRWOM-UHFFFAOYSA-N 1 0 380.411 -0.271 20 0 GBADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(F)cc1 ZINC000509999391 1072642207 /nfs/dbraw/zinc/64/22/07/1072642207.db2.gz VHTUZHREKCCNFL-AWEZNQCLSA-N 1 0 376.392 -0.135 20 0 GBADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(F)cc1 ZINC000509999400 1072642189 /nfs/dbraw/zinc/64/21/89/1072642189.db2.gz VHTUZHREKCCNFL-CQSZACIVSA-N 1 0 376.392 -0.135 20 0 GBADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510071366 530455356 /nfs/dbraw/zinc/45/53/56/530455356.db2.gz LXGGHRYJJIJVCW-UHFFFAOYSA-N 1 0 385.475 -0.387 20 0 GBADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000510072640 530455333 /nfs/dbraw/zinc/45/53/33/530455333.db2.gz QEASFFSXCJTRGA-GHMZBOCLSA-N 1 0 376.508 -0.639 20 0 GBADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000510072641 530455278 /nfs/dbraw/zinc/45/52/78/530455278.db2.gz QEASFFSXCJTRGA-MNOVXSKESA-N 1 0 376.508 -0.639 20 0 GBADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000510072642 530455337 /nfs/dbraw/zinc/45/53/37/530455337.db2.gz QEASFFSXCJTRGA-QWRGUYRKSA-N 1 0 376.508 -0.639 20 0 GBADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000510072643 530455365 /nfs/dbraw/zinc/45/53/65/530455365.db2.gz QEASFFSXCJTRGA-WDEREUQCSA-N 1 0 376.508 -0.639 20 0 GBADRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510073723 530455311 /nfs/dbraw/zinc/45/53/11/530455311.db2.gz SIAUOKLNDBFHNP-UHFFFAOYSA-N 1 0 385.475 -0.387 20 0 GBADRO CNC(=O)CN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000510154454 1072237531 /nfs/dbraw/zinc/23/75/31/1072237531.db2.gz KPHUPKYGJIZHLO-UHFFFAOYSA-N 1 0 377.401 -0.701 20 0 GBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1 ZINC000510171352 1072264833 /nfs/dbraw/zinc/26/48/33/1072264833.db2.gz WYPJGVKMTQAOQC-AWEZNQCLSA-N 1 0 398.485 -0.553 20 0 GBADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000510171353 1072265203 /nfs/dbraw/zinc/26/52/03/1072265203.db2.gz WYPJGVKMTQAOQC-CQSZACIVSA-N 1 0 398.485 -0.553 20 0 GBADRO CN1CC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1=O ZINC000510200740 1072269636 /nfs/dbraw/zinc/26/96/36/1072269636.db2.gz NONSTCQDXXSPOT-HNNXBMFYSA-N 1 0 389.456 -0.714 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CSCC1=O ZINC000510201298 1072269948 /nfs/dbraw/zinc/26/99/48/1072269948.db2.gz QJJSLIUUACFSPK-HNNXBMFYSA-N 1 0 378.498 -0.075 20 0 GBADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCOCC1 ZINC000510219969 530455910 /nfs/dbraw/zinc/45/59/10/530455910.db2.gz AAGXKMYFKLXWBI-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000510228889 1072273284 /nfs/dbraw/zinc/27/32/84/1072273284.db2.gz FHTFNUWXJPPFSC-HNNXBMFYSA-N 1 0 387.440 -0.646 20 0 GBADRO CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000510232477 1072274266 /nfs/dbraw/zinc/27/42/66/1072274266.db2.gz VMGYIELGKBCAHA-HNNXBMFYSA-N 1 0 384.502 -0.717 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000510234634 1072275218 /nfs/dbraw/zinc/27/52/18/1072275218.db2.gz CUYTYJSXLZFTAH-CVEARBPZSA-N 1 0 381.498 -0.174 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000510234635 1072275124 /nfs/dbraw/zinc/27/51/24/1072275124.db2.gz CUYTYJSXLZFTAH-HOTGVXAUSA-N 1 0 381.498 -0.174 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC(=O)NC1=O ZINC000510245540 1072278983 /nfs/dbraw/zinc/27/89/83/1072278983.db2.gz QOAUUCOXLKDAJJ-HNNXBMFYSA-N 1 0 389.456 -0.666 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCS1(=O)=O ZINC000510250668 1072281201 /nfs/dbraw/zinc/28/12/01/1072281201.db2.gz BXINKJXOJKUQQW-INIZCTEOSA-N 1 0 396.513 -0.573 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CCC1=O ZINC000510250770 1072281139 /nfs/dbraw/zinc/28/11/39/1072281139.db2.gz DJUGORVMRWVANT-INIZCTEOSA-N 1 0 388.468 -0.069 20 0 GBADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000510258677 1072286299 /nfs/dbraw/zinc/28/62/99/1072286299.db2.gz WKOHPXZNHVIDBM-INIZCTEOSA-N 1 0 398.529 -0.327 20 0 GBADRO C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)ccn2)CC1 ZINC000510262078 1072287872 /nfs/dbraw/zinc/28/78/72/1072287872.db2.gz YAEGFPOBSKQABT-OAHLLOKOSA-N 1 0 381.502 -0.013 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000510265059 1072289598 /nfs/dbraw/zinc/28/95/98/1072289598.db2.gz OOZDGYVVBWBIBD-UHFFFAOYSA-N 1 0 388.424 -0.320 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCC2(F)CCC2)cn1 ZINC000510297383 1072326144 /nfs/dbraw/zinc/32/61/44/1072326144.db2.gz UTYNZXZGDUGMCE-UHFFFAOYSA-N 1 0 382.440 -0.102 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000510338099 1072485525 /nfs/dbraw/zinc/48/55/25/1072485525.db2.gz QRMRINOYNJGLMB-HZPDHXFCSA-N 1 0 389.566 -0.017 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000510338104 1072485785 /nfs/dbraw/zinc/48/57/85/1072485785.db2.gz QRMRINOYNJGLMB-JKSUJKDBSA-N 1 0 389.566 -0.017 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339758 1072486979 /nfs/dbraw/zinc/48/69/79/1072486979.db2.gz HKYRFHUEQBJPQB-CVEARBPZSA-N 1 0 389.566 -0.159 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339760 1072486619 /nfs/dbraw/zinc/48/66/19/1072486619.db2.gz HKYRFHUEQBJPQB-HOTGVXAUSA-N 1 0 389.566 -0.159 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339761 1072486878 /nfs/dbraw/zinc/48/68/78/1072486878.db2.gz HKYRFHUEQBJPQB-HZPDHXFCSA-N 1 0 389.566 -0.159 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510339762 1072486480 /nfs/dbraw/zinc/48/64/80/1072486480.db2.gz HKYRFHUEQBJPQB-JKSUJKDBSA-N 1 0 389.566 -0.159 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510359025 1072515618 /nfs/dbraw/zinc/51/56/18/1072515618.db2.gz BJAYIFMLNVGFND-AWEZNQCLSA-N 1 0 388.534 -0.283 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510359026 1072515637 /nfs/dbraw/zinc/51/56/37/1072515637.db2.gz BJAYIFMLNVGFND-CQSZACIVSA-N 1 0 388.534 -0.283 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000510371752 1072553203 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VYUCBTWSEIDNII-OAHLLOKOSA-N 1 0 386.522 -0.312 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510780900 530456661 /nfs/dbraw/zinc/45/66/61/530456661.db2.gz NVQCHSBDSSKMKR-KBPBESRZSA-N 1 0 376.523 -0.191 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510780906 530456500 /nfs/dbraw/zinc/45/65/00/530456500.db2.gz NVQCHSBDSSKMKR-KGLIPLIRSA-N 1 0 376.523 -0.191 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510780907 530456678 /nfs/dbraw/zinc/45/66/78/530456678.db2.gz NVQCHSBDSSKMKR-UONOGXRCSA-N 1 0 376.523 -0.191 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510780909 530456409 /nfs/dbraw/zinc/45/64/09/530456409.db2.gz NVQCHSBDSSKMKR-ZIAGYGMSSA-N 1 0 376.523 -0.191 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NCCCC[NH+]2CCOCC2)cn1C ZINC000510879336 1072241950 /nfs/dbraw/zinc/24/19/50/1072241950.db2.gz RRSCQUBAFVHMBW-UHFFFAOYSA-N 1 0 387.506 -0.374 20 0 GBADRO CS(=O)(=O)NCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000510917264 1072245918 /nfs/dbraw/zinc/24/59/18/1072245918.db2.gz AJZLNSIZMHRBIA-UHFFFAOYSA-N 1 0 399.521 -0.773 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCCSC2)cn1 ZINC000510962746 1072253488 /nfs/dbraw/zinc/25/34/88/1072253488.db2.gz RDFYHMMBIVATPS-CYBMUJFWSA-N 1 0 396.517 -0.241 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCSC2)cn1 ZINC000510962751 1072253186 /nfs/dbraw/zinc/25/31/86/1072253186.db2.gz RDFYHMMBIVATPS-ZDUSSCGKSA-N 1 0 396.517 -0.241 20 0 GBADRO COC(=O)Cn1ncc2c1ncn(CC(=O)NC1CC[NH+](C(C)C)CC1)c2=O ZINC000511000274 1072286829 /nfs/dbraw/zinc/28/68/29/1072286829.db2.gz PUTBFWVCOMJROQ-UHFFFAOYSA-N 1 0 390.444 -0.245 20 0 GBADRO CN(C)CC[NH+]1CCC(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000511045088 1072299879 /nfs/dbraw/zinc/29/98/79/1072299879.db2.gz JPWQHYLQQLTFRT-UHFFFAOYSA-N 1 0 386.522 -0.690 20 0 GBADRO CN(C)CC[NH+]1CCC(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000511046124 1072299861 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1073561031 /nfs/dbraw/zinc/56/10/31/1073561031.db2.gz UEYJLTVYHSLGFL-SLTAFYQDSA-N 1 0 386.518 -0.340 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511969264 1073565397 /nfs/dbraw/zinc/56/53/97/1073565397.db2.gz XYPTUYMFTIBJRC-SHARSMKWSA-N 1 0 386.518 -0.340 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511971914 1073569736 /nfs/dbraw/zinc/56/97/36/1073569736.db2.gz KPOOPAGCUHLNSA-AQEOSJORSA-N 1 0 397.516 -0.008 20 0 GBADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511971915 1073569512 /nfs/dbraw/zinc/56/95/12/1073569512.db2.gz KPOOPAGCUHLNSA-BFWZDYSYSA-N 1 0 397.516 -0.008 20 0 GBADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511971916 1073569558 /nfs/dbraw/zinc/56/95/58/1073569558.db2.gz KPOOPAGCUHLNSA-CPFNUKBASA-N 1 0 397.516 -0.008 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000511971917 1073570054 /nfs/dbraw/zinc/57/00/54/1073570054.db2.gz 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Cn1cc(N2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2=O)cn1 ZINC000511982325 1073588387 /nfs/dbraw/zinc/58/83/87/1073588387.db2.gz LHWAJRTUEZLIKC-UHFFFAOYSA-N 1 0 388.472 -0.272 20 0 GBADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000511982748 1073588408 /nfs/dbraw/zinc/58/84/08/1073588408.db2.gz NGORBUYTPMTPMI-JCYILVPMSA-N 1 0 392.500 -0.031 20 0 GBADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000511982756 1073588504 /nfs/dbraw/zinc/58/85/04/1073588504.db2.gz NGORBUYTPMTPMI-OFLPRAFFSA-N 1 0 392.500 -0.031 20 0 GBADRO O=C(NCCNc1cc[nH+]cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000512061078 1073625887 /nfs/dbraw/zinc/62/58/87/1073625887.db2.gz WYZFYWTZPVGBPB-UHFFFAOYSA-N 1 0 379.442 -0.306 20 0 GBADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000512078443 1073629703 /nfs/dbraw/zinc/62/97/03/1073629703.db2.gz UALORVNTHHPWRF-CYBMUJFWSA-N 1 0 376.461 -0.328 20 0 GBADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000512078452 1073629745 /nfs/dbraw/zinc/62/97/45/1073629745.db2.gz UALORVNTHHPWRF-ZDUSSCGKSA-N 1 0 376.461 -0.328 20 0 GBADRO C[NH+]1CCC2(CCCN2C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000512101139 1073636660 /nfs/dbraw/zinc/63/66/60/1073636660.db2.gz WSZFJZZLSJLNBN-UHFFFAOYSA-N 1 0 383.474 -0.521 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1COCCO1 ZINC000512104643 1073637346 /nfs/dbraw/zinc/63/73/46/1073637346.db2.gz HARGPOGTXOQMLZ-IRXDYDNUSA-N 1 0 378.473 -0.010 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1COCCO1 ZINC000512104644 1073637461 /nfs/dbraw/zinc/63/74/61/1073637461.db2.gz HARGPOGTXOQMLZ-SJORKVTESA-N 1 0 378.473 -0.010 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(C(=O)OC)n1C ZINC000512117177 1073640291 /nfs/dbraw/zinc/64/02/91/1073640291.db2.gz ZQWUOTARCUEMIF-UHFFFAOYSA-N 1 0 380.445 -0.326 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C(=O)OC)n(C)c1 ZINC000512117686 1073640381 /nfs/dbraw/zinc/64/03/81/1073640381.db2.gz YQHUPWCQJBEWGX-UHFFFAOYSA-N 1 0 380.445 -0.326 20 0 GBADRO Cn1ncc2c1ncc(C(=O)NCCCC[NH+]1CCN(CCO)CC1)c2O ZINC000512153091 1073648386 /nfs/dbraw/zinc/64/83/86/1073648386.db2.gz HGZXEABPRKEFKQ-UHFFFAOYSA-N 1 0 376.461 -0.206 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000512156070 1073649709 /nfs/dbraw/zinc/64/97/09/1073649709.db2.gz XOPPLIAEPCKVHD-ZWKOTPCHSA-N 1 0 396.532 -0.073 20 0 GBADRO COCC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000512159774 1073650736 /nfs/dbraw/zinc/65/07/36/1073650736.db2.gz UCFPZJMTXURFBC-UHFFFAOYSA-N 1 0 387.506 -0.376 20 0 GBADRO CC[NH+]1CCN(CCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000512207868 1073672981 /nfs/dbraw/zinc/67/29/81/1073672981.db2.gz WWKYEGGTKQIRLB-UHFFFAOYSA-N 1 0 375.521 -0.258 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)cn1 ZINC000512216019 1073674244 /nfs/dbraw/zinc/67/42/44/1073674244.db2.gz WYTLJKNILMHYNZ-UHFFFAOYSA-N 1 0 399.517 -0.003 20 0 GBADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000512263578 530458925 /nfs/dbraw/zinc/45/89/25/530458925.db2.gz JCGQFGORYOPSLZ-GFCCVEGCSA-N 1 0 390.487 -0.585 20 0 GBADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000512263609 530458915 /nfs/dbraw/zinc/45/89/15/530458915.db2.gz JCGQFGORYOPSLZ-LBPRGKRZSA-N 1 0 390.487 -0.585 20 0 GBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000512277219 1073692381 /nfs/dbraw/zinc/69/23/81/1073692381.db2.gz FZOAXYKSKINXCX-AWEZNQCLSA-N 1 0 377.445 -0.511 20 0 GBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000512277223 1073692750 /nfs/dbraw/zinc/69/27/50/1073692750.db2.gz FZOAXYKSKINXCX-CQSZACIVSA-N 1 0 377.445 -0.511 20 0 GBADRO C[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCN1CCC(=O)N1CCOCC1 ZINC000512295925 1073694413 /nfs/dbraw/zinc/69/44/13/1073694413.db2.gz OANFBDYMVYXVHE-KRWDZBQOSA-N 1 0 382.505 -0.510 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000512306323 1073694605 /nfs/dbraw/zinc/69/46/05/1073694605.db2.gz LTYNIDBWNVTRDN-UHFFFAOYSA-N 1 0 394.501 -0.405 20 0 GBADRO COC(=O)CCN1CC[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1=O ZINC000512315789 1073694518 /nfs/dbraw/zinc/69/45/18/1073694518.db2.gz VTMQXWMKQMFRAY-AWEZNQCLSA-N 1 0 378.429 -0.084 20 0 GBADRO COC(=O)CCN1CC[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1=O ZINC000512315790 1073694234 /nfs/dbraw/zinc/69/42/34/1073694234.db2.gz VTMQXWMKQMFRAY-CQSZACIVSA-N 1 0 378.429 -0.084 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331724 1073697737 /nfs/dbraw/zinc/69/77/37/1073697737.db2.gz PMJFYRBEVQGMRI-DLBZAZTESA-N 1 0 388.578 -0.020 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000512331725 1073698146 /nfs/dbraw/zinc/69/81/46/1073698146.db2.gz PMJFYRBEVQGMRI-IAGOWNOFSA-N 1 0 388.578 -0.020 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331726 1073697931 /nfs/dbraw/zinc/69/79/31/1073697931.db2.gz PMJFYRBEVQGMRI-IRXDYDNUSA-N 1 0 388.578 -0.020 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000512331727 1073697822 /nfs/dbraw/zinc/69/78/22/1073697822.db2.gz PMJFYRBEVQGMRI-SJORKVTESA-N 1 0 388.578 -0.020 20 0 GBADRO C[NH+](C)CCOc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccn1 ZINC000512345043 1073701256 /nfs/dbraw/zinc/70/12/56/1073701256.db2.gz BBVHDCVMDOEBBY-AWEZNQCLSA-N 1 0 398.485 -0.555 20 0 GBADRO C[NH+](C)CCOc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccn1 ZINC000512345044 1073700959 /nfs/dbraw/zinc/70/09/59/1073700959.db2.gz BBVHDCVMDOEBBY-CQSZACIVSA-N 1 0 398.485 -0.555 20 0 GBADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000512350623 1073704700 /nfs/dbraw/zinc/70/47/00/1073704700.db2.gz RXHCGOYMOCIYQA-HNNXBMFYSA-N 1 0 388.476 -0.301 20 0 GBADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000512350624 1073705142 /nfs/dbraw/zinc/70/51/42/1073705142.db2.gz RXHCGOYMOCIYQA-OAHLLOKOSA-N 1 0 388.476 -0.301 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCNC(=O)C3)cn2)CC1 ZINC000512381899 1073714390 /nfs/dbraw/zinc/71/43/90/1073714390.db2.gz ASPLDCCGONJFDB-UHFFFAOYSA-N 1 0 389.504 -0.546 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512384124 1073713450 /nfs/dbraw/zinc/71/34/50/1073713450.db2.gz KRAZOGQJULEXEI-GXTWGEPZSA-N 1 0 388.490 -0.079 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512384125 1073713416 /nfs/dbraw/zinc/71/34/16/1073713416.db2.gz KRAZOGQJULEXEI-JSGCOSHPSA-N 1 0 388.490 -0.079 20 0 GBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCCN1CCNC(=O)C1 ZINC000512396869 1073720711 /nfs/dbraw/zinc/72/07/11/1073720711.db2.gz VOWIENLYYWZAJO-UHFFFAOYSA-N 1 0 388.516 -0.465 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512436716 1073740423 /nfs/dbraw/zinc/74/04/23/1073740423.db2.gz MYJWLCXCLBGCEB-KKUMJFAQSA-N 1 0 391.538 -0.382 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512436719 1073740112 /nfs/dbraw/zinc/74/01/12/1073740112.db2.gz MYJWLCXCLBGCEB-RRFJBIMHSA-N 1 0 391.538 -0.382 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512436721 1073740210 /nfs/dbraw/zinc/74/02/10/1073740210.db2.gz MYJWLCXCLBGCEB-SOUVJXGZSA-N 1 0 391.538 -0.382 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000512440495 530458695 /nfs/dbraw/zinc/45/86/95/530458695.db2.gz BPCZIYKCLLPEQS-OAHLLOKOSA-N 1 0 376.523 -0.101 20 0 GBADRO C[C@@H]1C[C@H](N2CCOCC2)CN1CC(O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461528 1073750104 /nfs/dbraw/zinc/75/01/04/1073750104.db2.gz DSWHHONLVKYXCL-ZRNYENFQSA-N 1 0 396.576 -0.063 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467466 530458872 /nfs/dbraw/zinc/45/88/72/530458872.db2.gz FVMFOAZKMMTZRX-AWEZNQCLSA-N 1 0 376.523 -0.198 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467467 530458746 /nfs/dbraw/zinc/45/87/46/530458746.db2.gz FVMFOAZKMMTZRX-CQSZACIVSA-N 1 0 376.523 -0.198 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467681 1073756230 /nfs/dbraw/zinc/75/62/30/1073756230.db2.gz HWSVSWIOVMXCDS-AWEZNQCLSA-N 1 0 389.522 -0.927 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000512467686 1073756606 /nfs/dbraw/zinc/75/66/06/1073756606.db2.gz HWSVSWIOVMXCDS-CQSZACIVSA-N 1 0 389.522 -0.927 20 0 GBADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585688 1073846131 /nfs/dbraw/zinc/84/61/31/1073846131.db2.gz DSORJWJIFDTJAT-MSOLQXFVSA-N 1 0 385.553 -0.215 20 0 GBADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@@H](C)N1CCOCC1 ZINC000512585690 1073846806 /nfs/dbraw/zinc/84/68/06/1073846806.db2.gz DSORJWJIFDTJAT-QZTJIDSGSA-N 1 0 385.553 -0.215 20 0 GBADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(CCO)CC1)[C@H](C)N1CCOCC1 ZINC000512585691 1073846448 /nfs/dbraw/zinc/84/64/48/1073846448.db2.gz DSORJWJIFDTJAT-ROUUACIJSA-N 1 0 385.553 -0.215 20 0 GBADRO C[C@H]([C@H](C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CCOCC1 ZINC000512585692 1073846779 /nfs/dbraw/zinc/84/67/79/1073846779.db2.gz DSORJWJIFDTJAT-ZWKOTPCHSA-N 1 0 385.553 -0.215 20 0 GBADRO CC1(C)COCCN1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512606324 1073855335 /nfs/dbraw/zinc/85/53/35/1073855335.db2.gz MUPMUERHTDQFAJ-UHFFFAOYSA-N 1 0 385.553 -0.214 20 0 GBADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512628002 1073862275 /nfs/dbraw/zinc/86/22/75/1073862275.db2.gz CLGDNXHZQNMYKA-HIFRSBDPSA-N 1 0 384.502 -0.671 20 0 GBADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512628003 1073862628 /nfs/dbraw/zinc/86/26/28/1073862628.db2.gz CLGDNXHZQNMYKA-ZFWWWQNUSA-N 1 0 384.502 -0.671 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000512636141 1073863562 /nfs/dbraw/zinc/86/35/62/1073863562.db2.gz WXUZDLRKGKGLHT-LBPRGKRZSA-N 1 0 388.428 -0.511 20 0 GBADRO CC(C)(CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)N1CCOCC1 ZINC000512643096 1073865027 /nfs/dbraw/zinc/86/50/27/1073865027.db2.gz VNFSLOVKRSZGRP-UHFFFAOYSA-N 1 0 385.553 -0.214 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000512689741 1073867808 /nfs/dbraw/zinc/86/78/08/1073867808.db2.gz SPKFZWZFARUSRB-UHFFFAOYSA-N 1 0 381.521 -0.048 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000512692755 530459104 /nfs/dbraw/zinc/45/91/04/530459104.db2.gz DYFJMCJOGRIJEG-CQSZACIVSA-N 1 0 379.527 -0.523 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000512703095 1073870484 /nfs/dbraw/zinc/87/04/84/1073870484.db2.gz OSYTWPIQHSQUIJ-MSOLQXFVSA-N 1 0 389.500 -0.400 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000512703096 1073870183 /nfs/dbraw/zinc/87/01/83/1073870183.db2.gz OSYTWPIQHSQUIJ-QZTJIDSGSA-N 1 0 389.500 -0.400 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000512703097 1073870225 /nfs/dbraw/zinc/87/02/25/1073870225.db2.gz 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O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCCC[NH+]1CCC(O)CC1 ZINC000512729439 1073874050 /nfs/dbraw/zinc/87/40/50/1073874050.db2.gz QLRVGNZEKMHYTQ-UHFFFAOYSA-N 1 0 395.485 -0.196 20 0 GBADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[C@H]1c1cccs1 ZINC000512756504 1073876809 /nfs/dbraw/zinc/87/68/09/1073876809.db2.gz VEPBOSPYYBVPRP-IPYPFGDCSA-N 1 0 394.497 -0.040 20 0 GBADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[C@H]1c1cccs1 ZINC000512756505 1073876465 /nfs/dbraw/zinc/87/64/65/1073876465.db2.gz VEPBOSPYYBVPRP-NFAWXSAZSA-N 1 0 394.497 -0.040 20 0 GBADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)[C@@H]1c1cccs1 ZINC000512756506 1073876519 /nfs/dbraw/zinc/87/65/19/1073876519.db2.gz VEPBOSPYYBVPRP-UMVBOHGHSA-N 1 0 394.497 -0.040 20 0 GBADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)[C@@H]1c1cccs1 ZINC000512756507 1073876578 /nfs/dbraw/zinc/87/65/78/1073876578.db2.gz VEPBOSPYYBVPRP-VNHYZAJKSA-N 1 0 394.497 -0.040 20 0 GBADRO 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377.401 -0.066 20 0 GBADRO Cn1cnc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000513056861 1073914990 /nfs/dbraw/zinc/91/49/90/1073914990.db2.gz BLOIKRDGHRVEKM-HNNXBMFYSA-N 1 0 379.486 -0.013 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000513080181 1073927759 /nfs/dbraw/zinc/92/77/59/1073927759.db2.gz LRSPFDAADWWCKZ-INIZCTEOSA-N 1 0 384.502 -0.558 20 0 GBADRO COCCN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000513085831 1073927597 /nfs/dbraw/zinc/92/75/97/1073927597.db2.gz HVZDIZORVDIIIT-INIZCTEOSA-N 1 0 386.518 -0.312 20 0 GBADRO O=C(CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000513106632 1073934642 /nfs/dbraw/zinc/93/46/42/1073934642.db2.gz OYXPOPDTMUCSLO-LSDHHAIUSA-N 1 0 379.486 -0.366 20 0 GBADRO CC[NH+]1CCN(c2ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc2)CC1 ZINC000513111536 1073933661 /nfs/dbraw/zinc/93/36/61/1073933661.db2.gz HDAQEWORZQSJTE-UHFFFAOYSA-N 1 0 383.518 -0.046 20 0 GBADRO NS(=O)(=O)c1cnn(CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000513113026 1073933264 /nfs/dbraw/zinc/93/32/64/1073933264.db2.gz IQVVMDJWBJAWMD-UHFFFAOYSA-N 1 0 384.506 -0.839 20 0 GBADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000513179508 530459520 /nfs/dbraw/zinc/45/95/20/530459520.db2.gz ZJLWSJHJWFILGS-AWEZNQCLSA-N 1 0 376.523 -0.235 20 0 GBADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000513179509 530459449 /nfs/dbraw/zinc/45/94/49/530459449.db2.gz ZJLWSJHJWFILGS-CQSZACIVSA-N 1 0 376.523 -0.235 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)cc1 ZINC000513192667 1073952784 /nfs/dbraw/zinc/95/27/84/1073952784.db2.gz ONPRUAUQXQCWKL-UHFFFAOYSA-N 1 0 398.485 -0.665 20 0 GBADRO C[N@H+](CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000513195859 1073953935 /nfs/dbraw/zinc/95/39/35/1073953935.db2.gz IQWBFSFSYMRSJM-UHFFFAOYSA-N 1 0 386.449 -0.534 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)CN3CCS(=O)(=O)CC3)cn2)CC1 ZINC000513197648 1073953336 /nfs/dbraw/zinc/95/33/36/1073953336.db2.gz SRZDCZIFJYQNKA-UHFFFAOYSA-N 1 0 395.529 -0.430 20 0 GBADRO C[N@H+](CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000513200386 1073954510 /nfs/dbraw/zinc/95/45/10/1073954510.db2.gz IVWQAEHKCNXSRE-UHFFFAOYSA-N 1 0 386.449 -0.534 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)cc1C ZINC000513219514 1073954882 /nfs/dbraw/zinc/95/48/82/1073954882.db2.gz SMZZTGUKRUQHBB-UHFFFAOYSA-N 1 0 396.513 -0.056 20 0 GBADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000513224267 1073954838 /nfs/dbraw/zinc/95/48/38/1073954838.db2.gz SQHWLDZUSKLBSA-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000513224268 1073954361 /nfs/dbraw/zinc/95/43/61/1073954361.db2.gz SQHWLDZUSKLBSA-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO CCC(CC)(NC(=O)C1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1)C(N)=O ZINC000513229029 1073955365 /nfs/dbraw/zinc/95/53/65/1073955365.db2.gz PYZTVKLEJGFYJF-UHFFFAOYSA-N 1 0 393.532 -0.179 20 0 GBADRO CCC(CC)(NC(=O)C1C[NH+](CCCN2C(=O)NC(C)(C)C2=O)C1)C(N)=O ZINC000513261192 1073957383 /nfs/dbraw/zinc/95/73/83/1073957383.db2.gz MCZWHXKVBIDRSK-UHFFFAOYSA-N 1 0 381.477 -0.201 20 0 GBADRO CCC(CC)(NC(=O)C1C[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1)C(N)=O ZINC000513267372 1073958982 /nfs/dbraw/zinc/95/89/82/1073958982.db2.gz QAIDVVOKYGFWRH-CYBMUJFWSA-N 1 0 388.534 -0.250 20 0 GBADRO CCC(CC)(NC(=O)C1C[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1)C(N)=O ZINC000513267373 1073958909 /nfs/dbraw/zinc/95/89/09/1073958909.db2.gz QAIDVVOKYGFWRH-ZDUSSCGKSA-N 1 0 388.534 -0.250 20 0 GBADRO Cn1nnnc1SCCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000513291716 530459420 /nfs/dbraw/zinc/45/94/20/530459420.db2.gz LDGGXCXOCIHZMI-GFCCVEGCSA-N 1 0 390.535 -0.340 20 0 GBADRO Cn1nnnc1SCCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000513291717 530459453 /nfs/dbraw/zinc/45/94/53/530459453.db2.gz LDGGXCXOCIHZMI-LBPRGKRZSA-N 1 0 390.535 -0.340 20 0 GBADRO CC[NH+]1CCN(c2ccc(C(=O)NCCOCCS(N)(=O)=O)cc2)CC1 ZINC000513320087 1073961915 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530459996 /nfs/dbraw/zinc/45/99/96/530459996.db2.gz ABPIMLFLUKDWMP-ZDUSSCGKSA-N 1 0 376.523 -0.427 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000513457102 1073971401 /nfs/dbraw/zinc/97/14/01/1073971401.db2.gz HNYNQYZMWOKWPM-CABCVRRESA-N 1 0 382.505 -0.071 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000513457114 1073971393 /nfs/dbraw/zinc/97/13/93/1073971393.db2.gz HNYNQYZMWOKWPM-GJZGRUSLSA-N 1 0 382.505 -0.071 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000513457116 1073971552 /nfs/dbraw/zinc/97/15/52/1073971552.db2.gz HNYNQYZMWOKWPM-HUUCEWRRSA-N 1 0 382.505 -0.071 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000513457118 1073971500 /nfs/dbraw/zinc/97/15/00/1073971500.db2.gz HNYNQYZMWOKWPM-LSDHHAIUSA-N 1 0 382.505 -0.071 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)C(C)(C)C[NH+](C)C ZINC000513458106 1073971666 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/nfs/dbraw/zinc/97/23/94/1073972394.db2.gz TWBBSNKFCUNLOA-ZIAGYGMSSA-N 1 0 390.550 -0.133 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(C)(C)C[NH+](C)C ZINC000513459157 1073972724 /nfs/dbraw/zinc/97/27/24/1073972724.db2.gz XZJXGGVHACRTDM-LLVKDONJSA-N 1 0 383.522 -0.139 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(C)(C)C[NH+](C)C ZINC000513459158 1073972321 /nfs/dbraw/zinc/97/23/21/1073972321.db2.gz XZJXGGVHACRTDM-NSHDSACASA-N 1 0 383.522 -0.139 20 0 GBADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000513462041 530459861 /nfs/dbraw/zinc/45/98/61/530459861.db2.gz BKIHBRRYGFQFRX-CHWSQXEVSA-N 1 0 376.523 -0.381 20 0 GBADRO C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000513462042 530459969 /nfs/dbraw/zinc/45/99/69/530459969.db2.gz BKIHBRRYGFQFRX-QWHCGFSZSA-N 1 0 376.523 -0.381 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000513462545 1073972409 /nfs/dbraw/zinc/97/24/09/1073972409.db2.gz WHZXMPSLEIXBDA-BBWFWOEESA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000513462546 1073972579 /nfs/dbraw/zinc/97/25/79/1073972579.db2.gz WHZXMPSLEIXBDA-BRWVUGGUSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000513462547 1073972468 /nfs/dbraw/zinc/97/24/68/1073972468.db2.gz WHZXMPSLEIXBDA-IXDOHACOSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000513462548 1073972759 /nfs/dbraw/zinc/97/27/59/1073972759.db2.gz WHZXMPSLEIXBDA-ZACQAIPSSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513462796 1073971686 /nfs/dbraw/zinc/97/16/86/1073971686.db2.gz GTSSGLDEMYLNEH-CABCVRRESA-N 1 0 395.548 -0.110 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462799 1073971658 /nfs/dbraw/zinc/97/16/58/1073971658.db2.gz GTSSGLDEMYLNEH-GJZGRUSLSA-N 1 0 395.548 -0.110 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462800 1073971568 /nfs/dbraw/zinc/97/15/68/1073971568.db2.gz GTSSGLDEMYLNEH-HUUCEWRRSA-N 1 0 395.548 -0.110 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513462801 1073972591 /nfs/dbraw/zinc/97/25/91/1073972591.db2.gz GTSSGLDEMYLNEH-LSDHHAIUSA-N 1 0 395.548 -0.110 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463379 1073971792 /nfs/dbraw/zinc/97/17/92/1073971792.db2.gz MCFVONLWZJRSSD-CYBMUJFWSA-N 1 0 395.504 -0.972 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463380 1073971785 /nfs/dbraw/zinc/97/17/85/1073971785.db2.gz MCFVONLWZJRSSD-ZDUSSCGKSA-N 1 0 395.504 -0.972 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513464252 1073972612 /nfs/dbraw/zinc/97/26/12/1073972612.db2.gz WDJPTCIJVHLNCD-HNNXBMFYSA-N 1 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GBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513468423 1073972298 /nfs/dbraw/zinc/97/22/98/1073972298.db2.gz HFKABJLIWIVGJF-INIZCTEOSA-N 1 0 395.548 -0.155 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513468424 1073972428 /nfs/dbraw/zinc/97/24/28/1073972428.db2.gz HFKABJLIWIVGJF-MRXNPFEDSA-N 1 0 395.548 -0.155 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513470131 530459918 /nfs/dbraw/zinc/45/99/18/530459918.db2.gz UYZKUEWCANYISX-CHWSQXEVSA-N 1 0 376.523 -0.381 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513470132 530459924 /nfs/dbraw/zinc/45/99/24/530459924.db2.gz UYZKUEWCANYISX-OLZOCXBDSA-N 1 0 376.523 -0.381 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513470133 530459983 /nfs/dbraw/zinc/45/99/83/530459983.db2.gz UYZKUEWCANYISX-QWHCGFSZSA-N 1 0 376.523 -0.381 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513470134 530459999 /nfs/dbraw/zinc/45/99/99/530459999.db2.gz UYZKUEWCANYISX-STQMWFEESA-N 1 0 376.523 -0.381 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2 ZINC000513477564 1073973536 /nfs/dbraw/zinc/97/35/36/1073973536.db2.gz SYKZWPSMIDZCIK-CHWSQXEVSA-N 1 0 380.493 -0.052 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2 ZINC000513477565 1073973633 /nfs/dbraw/zinc/97/36/33/1073973633.db2.gz SYKZWPSMIDZCIK-OLZOCXBDSA-N 1 0 380.493 -0.052 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2 ZINC000513477566 1073973443 /nfs/dbraw/zinc/97/34/43/1073973443.db2.gz SYKZWPSMIDZCIK-QWHCGFSZSA-N 1 0 380.493 -0.052 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2 ZINC000513477567 1073973546 /nfs/dbraw/zinc/97/35/46/1073973546.db2.gz SYKZWPSMIDZCIK-STQMWFEESA-N 1 0 380.493 -0.052 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000513480144 1073974194 /nfs/dbraw/zinc/97/41/94/1073974194.db2.gz XKWAAXYFPZJYFK-BBWFWOEESA-N 1 0 398.529 -0.142 20 0 GBADRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H](C)O1 ZINC000513480145 1073974106 /nfs/dbraw/zinc/97/41/06/1073974106.db2.gz XKWAAXYFPZJYFK-BRWVUGGUSA-N 1 0 398.529 -0.142 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000513480146 1073974084 /nfs/dbraw/zinc/97/40/84/1073974084.db2.gz XKWAAXYFPZJYFK-IXDOHACOSA-N 1 0 398.529 -0.142 20 0 GBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)C[C@@H](C)O1 ZINC000513480147 1073974572 /nfs/dbraw/zinc/97/45/72/1073974572.db2.gz XKWAAXYFPZJYFK-ZACQAIPSSA-N 1 0 398.529 -0.142 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513481794 1073974556 /nfs/dbraw/zinc/97/45/56/1073974556.db2.gz CRPQWDNOODBITO-AWEZNQCLSA-N 1 0 381.521 -0.498 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513481795 1073974582 /nfs/dbraw/zinc/97/45/82/1073974582.db2.gz CRPQWDNOODBITO-CQSZACIVSA-N 1 0 381.521 -0.498 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513483539 1073973638 /nfs/dbraw/zinc/97/36/38/1073973638.db2.gz KGUMQRCMXVYYHT-HNNXBMFYSA-N 1 0 383.537 -0.252 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513483540 1073973557 /nfs/dbraw/zinc/97/35/57/1073973557.db2.gz KGUMQRCMXVYYHT-OAHLLOKOSA-N 1 0 383.537 -0.252 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513485198 1073973563 /nfs/dbraw/zinc/97/35/63/1073973563.db2.gz QNZCYJXJNJJULQ-ARFHVFGLSA-N 1 0 387.521 -0.049 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513485199 1073973591 /nfs/dbraw/zinc/97/35/91/1073973591.db2.gz QNZCYJXJNJJULQ-BZUAXINKSA-N 1 0 387.521 -0.049 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513485200 1073973747 /nfs/dbraw/zinc/97/37/47/1073973747.db2.gz QNZCYJXJNJJULQ-HRCADAONSA-N 1 0 387.521 -0.049 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000513485201 1073973422 /nfs/dbraw/zinc/97/34/22/1073973422.db2.gz QNZCYJXJNJJULQ-OWCLPIDISA-N 1 0 387.521 -0.049 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513491792 530459854 /nfs/dbraw/zinc/45/98/54/530459854.db2.gz JQCFITCYKHHFFD-CHWSQXEVSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513491793 530459830 /nfs/dbraw/zinc/45/98/30/530459830.db2.gz JQCFITCYKHHFFD-OLZOCXBDSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513491794 530459997 /nfs/dbraw/zinc/45/99/97/530459997.db2.gz JQCFITCYKHHFFD-QWHCGFSZSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513491795 530459939 /nfs/dbraw/zinc/45/99/39/530459939.db2.gz JQCFITCYKHHFFD-STQMWFEESA-N 1 0 376.523 -0.381 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000513491822 1073974552 /nfs/dbraw/zinc/97/45/52/1073974552.db2.gz JSJMTCLPXLNAIA-CYBMUJFWSA-N 1 0 378.477 -0.312 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000513491823 1073974172 /nfs/dbraw/zinc/97/41/72/1073974172.db2.gz JSJMTCLPXLNAIA-ZDUSSCGKSA-N 1 0 378.477 -0.312 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 ZINC000513507685 1073975316 /nfs/dbraw/zinc/97/53/16/1073975316.db2.gz IUJLZEVGSDSXDI-BZUAXINKSA-N 1 0 389.504 -0.045 20 0 GBADRO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)C[C@@H](C)O1 ZINC000513507686 1073975001 /nfs/dbraw/zinc/97/50/01/1073975001.db2.gz IUJLZEVGSDSXDI-OAGGEKHMSA-N 1 0 389.504 -0.045 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000513507687 1073975333 /nfs/dbraw/zinc/97/53/33/1073975333.db2.gz IUJLZEVGSDSXDI-OWCLPIDISA-N 1 0 389.504 -0.045 20 0 GBADRO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000513507688 1073975050 /nfs/dbraw/zinc/97/50/50/1073975050.db2.gz IUJLZEVGSDSXDI-XHSDSOJGSA-N 1 0 389.504 -0.045 20 0 GBADRO COC[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)OC ZINC000513558544 1073978607 /nfs/dbraw/zinc/97/86/07/1073978607.db2.gz CPRBZZGEKRRTPC-CYBMUJFWSA-N 1 0 394.428 -0.128 20 0 GBADRO COC[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)OC ZINC000513558545 1073979218 /nfs/dbraw/zinc/97/92/18/1073979218.db2.gz CPRBZZGEKRRTPC-ZDUSSCGKSA-N 1 0 394.428 -0.128 20 0 GBADRO C[N@H+](CCc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1)C1CC1 ZINC000513597995 1073979686 /nfs/dbraw/zinc/97/96/86/1073979686.db2.gz OTHGRKHDSKKJIZ-UHFFFAOYSA-N 1 0 387.484 -0.190 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 ZINC000513625852 1073981815 /nfs/dbraw/zinc/98/18/15/1073981815.db2.gz TWBBNLFAYZHMNX-UHFFFAOYSA-N 1 0 377.445 -0.887 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1S(N)(=O)=O ZINC000513675806 1073982505 /nfs/dbraw/zinc/98/25/05/1073982505.db2.gz WQENVGSOKMOBRY-CYBMUJFWSA-N 1 0 383.474 -0.527 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1S(N)(=O)=O ZINC000513675807 1073982420 /nfs/dbraw/zinc/98/24/20/1073982420.db2.gz WQENVGSOKMOBRY-ZDUSSCGKSA-N 1 0 383.474 -0.527 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000513698164 1072157539 /nfs/dbraw/zinc/15/75/39/1072157539.db2.gz XHNNTYILJPBDAI-UHFFFAOYSA-N 1 0 381.458 -0.602 20 0 GBADRO CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000513719036 1072280062 /nfs/dbraw/zinc/28/00/62/1072280062.db2.gz STPPSNDIPDFNCT-HNNXBMFYSA-N 1 0 383.518 -0.010 20 0 GBADRO CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000513719037 1072280497 /nfs/dbraw/zinc/28/04/97/1072280497.db2.gz STPPSNDIPDFNCT-OAHLLOKOSA-N 1 0 383.518 -0.010 20 0 GBADRO CCc1c(C(=O)NCCC[N@H+](C)CCOC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513727985 1072298546 /nfs/dbraw/zinc/29/85/46/1072298546.db2.gz QCYHGMQNKLVSCP-UHFFFAOYSA-N 1 0 391.472 -0.107 20 0 GBADRO CCc1c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513776760 1072397424 /nfs/dbraw/zinc/39/74/24/1072397424.db2.gz KWVQPTHYGGFXLA-GFCCVEGCSA-N 1 0 389.456 -0.355 20 0 GBADRO CCc1c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513776761 1072397352 /nfs/dbraw/zinc/39/73/52/1072397352.db2.gz KWVQPTHYGGFXLA-LBPRGKRZSA-N 1 0 389.456 -0.355 20 0 GBADRO CCc1c(C(=O)N(CCOC)CC[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513783103 1072432258 /nfs/dbraw/zinc/43/22/58/1072432258.db2.gz QYJBXGBTAYMEOR-UHFFFAOYSA-N 1 0 391.472 -0.155 20 0 GBADRO COC(=O)c1coc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000513793556 1072473052 /nfs/dbraw/zinc/47/30/52/1072473052.db2.gz AGIBOBIXLOYGIF-UHFFFAOYSA-N 1 0 385.442 -0.005 20 0 GBADRO COC(=O)c1coc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000513793841 1072473231 /nfs/dbraw/zinc/47/32/31/1072473231.db2.gz GGTCXAGYNYNSFB-UHFFFAOYSA-N 1 0 389.474 -0.265 20 0 GBADRO CCc1c(C(=O)NCC[N@H+](C)CCOC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513822767 1072616087 /nfs/dbraw/zinc/61/60/87/1072616087.db2.gz IVIYRXGBCJXQTN-UHFFFAOYSA-N 1 0 377.445 -0.497 20 0 GBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1S(N)(=O)=O ZINC000513825688 1072615930 /nfs/dbraw/zinc/61/59/30/1072615930.db2.gz HTCMWZYBNQTZOU-CYBMUJFWSA-N 1 0 382.486 -0.040 20 0 GBADRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1S(N)(=O)=O ZINC000513825689 1072615906 /nfs/dbraw/zinc/61/59/06/1072615906.db2.gz HTCMWZYBNQTZOU-ZDUSSCGKSA-N 1 0 382.486 -0.040 20 0 GBADRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)N2CCN(C)CC2)C1 ZINC000513882009 1072617923 /nfs/dbraw/zinc/61/79/23/1072617923.db2.gz ZGOVULXGZZVNJE-INIZCTEOSA-N 1 0 382.505 -0.116 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC(=O)N2CCN(C)CC2)C1 ZINC000513882010 1072617793 /nfs/dbraw/zinc/61/77/93/1072617793.db2.gz ZGOVULXGZZVNJE-MRXNPFEDSA-N 1 0 382.505 -0.116 20 0 GBADRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000513896624 1072617750 /nfs/dbraw/zinc/61/77/50/1072617750.db2.gz BSIZOFHQJZDUEB-UHFFFAOYSA-N 1 0 382.505 -0.116 20 0 GBADRO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513968977 1072622413 /nfs/dbraw/zinc/62/24/13/1072622413.db2.gz NSVODAJVLGNGPM-CYBMUJFWSA-N 1 0 379.490 -0.233 20 0 GBADRO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000513968978 1072622495 /nfs/dbraw/zinc/62/24/95/1072622495.db2.gz NSVODAJVLGNGPM-ZDUSSCGKSA-N 1 0 379.490 -0.233 20 0 GBADRO CN1CCN(C(=O)CC[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000513969285 1072621776 /nfs/dbraw/zinc/62/17/76/1072621776.db2.gz SQYJYOPQFDHYEU-UHFFFAOYSA-N 1 0 395.529 -0.380 20 0 GBADRO CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1CCCO1 ZINC000514003200 1072623964 /nfs/dbraw/zinc/62/39/64/1072623964.db2.gz IQRFVFUHRBJZJF-KRWDZBQOSA-N 1 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CCc1c(C(=O)NC[C@](C)(O)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514034359 1072624842 /nfs/dbraw/zinc/62/48/42/1072624842.db2.gz HYOUIZXBPPXJHF-SFHVURJKSA-N 1 0 377.445 -0.763 20 0 GBADRO CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000514037666 1072625185 /nfs/dbraw/zinc/62/51/85/1072625185.db2.gz ICWUKYLYIKVXTD-RBSFLKMASA-N 1 0 397.472 -0.118 20 0 GBADRO CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000514037667 1072625199 /nfs/dbraw/zinc/62/51/99/1072625199.db2.gz ICWUKYLYIKVXTD-RRFJBIMHSA-N 1 0 397.472 -0.118 20 0 GBADRO CN1CCN(C(=O)CC[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1 ZINC000514095819 1072628762 /nfs/dbraw/zinc/62/87/62/1072628762.db2.gz QLJSOLGFIQNLED-UHFFFAOYSA-N 1 0 398.515 -0.056 20 0 GBADRO C[C@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CCN1c1nccn2cnnc12 ZINC000514119341 1072631094 /nfs/dbraw/zinc/63/10/94/1072631094.db2.gz UVGLATVIUGXRES-KBPBESRZSA-N 1 0 379.490 -0.084 20 0 GBADRO C[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CCN1c1nccn2cnnc12 ZINC000514119342 1072631159 /nfs/dbraw/zinc/63/11/59/1072631159.db2.gz UVGLATVIUGXRES-KGLIPLIRSA-N 1 0 379.490 -0.084 20 0 GBADRO C[C@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CCN1c1nccn2cnnc12 ZINC000514119343 1072631197 /nfs/dbraw/zinc/63/11/97/1072631197.db2.gz UVGLATVIUGXRES-UONOGXRCSA-N 1 0 379.490 -0.084 20 0 GBADRO C[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CCN1c1nccn2cnnc12 ZINC000514119344 1073510168 /nfs/dbraw/zinc/51/01/68/1073510168.db2.gz UVGLATVIUGXRES-ZIAGYGMSSA-N 1 0 379.490 -0.084 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000514122902 530299675 /nfs/dbraw/zinc/29/96/75/530299675.db2.gz PQUUWZUYFZVBHP-UHFFFAOYSA-N 1 0 375.539 -0.217 20 0 GBADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000514216342 1072636606 /nfs/dbraw/zinc/63/66/06/1072636606.db2.gz UQKABQYKMXNVLW-AWEZNQCLSA-N 1 0 387.444 -0.012 20 0 GBADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000514216343 1072636347 /nfs/dbraw/zinc/63/63/47/1072636347.db2.gz UQKABQYKMXNVLW-CQSZACIVSA-N 1 0 387.444 -0.012 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000514226227 1072637350 /nfs/dbraw/zinc/63/73/50/1072637350.db2.gz HOCNFEZAEHSCCI-INIZCTEOSA-N 1 0 384.502 -0.851 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000514226228 1072637544 /nfs/dbraw/zinc/63/75/44/1072637544.db2.gz HOCNFEZAEHSCCI-MRXNPFEDSA-N 1 0 384.502 -0.851 20 0 GBADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235634 1072637739 /nfs/dbraw/zinc/63/77/39/1072637739.db2.gz GLDLCXMUSKHKRC-CVEARBPZSA-N 1 0 398.504 -0.833 20 0 GBADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235635 1072637139 /nfs/dbraw/zinc/63/71/39/1072637139.db2.gz GLDLCXMUSKHKRC-HOTGVXAUSA-N 1 0 398.504 -0.833 20 0 GBADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235636 1072637226 /nfs/dbraw/zinc/63/72/26/1072637226.db2.gz GLDLCXMUSKHKRC-HZPDHXFCSA-N 1 0 398.504 -0.833 20 0 GBADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514235637 1072637506 /nfs/dbraw/zinc/63/75/06/1072637506.db2.gz GLDLCXMUSKHKRC-JKSUJKDBSA-N 1 0 398.504 -0.833 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000514421202 1072648239 /nfs/dbraw/zinc/64/82/39/1072648239.db2.gz XXBRIPAMFQBTCV-UHFFFAOYSA-N 1 0 386.460 -0.337 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000514541793 1072657177 /nfs/dbraw/zinc/65/71/77/1072657177.db2.gz NTTILCSELCMQDK-UHFFFAOYSA-N 1 0 393.473 -0.516 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000514551569 1072659899 /nfs/dbraw/zinc/65/98/99/1072659899.db2.gz FHNNWHOMGFEJNQ-CYBMUJFWSA-N 1 0 386.474 -0.777 20 0 GBADRO Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000514551572 1072659752 /nfs/dbraw/zinc/65/97/52/1072659752.db2.gz FHNNWHOMGFEJNQ-ZDUSSCGKSA-N 1 0 386.474 -0.777 20 0 GBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000514552357 1072659662 /nfs/dbraw/zinc/65/96/62/1072659662.db2.gz RPKQKZXAEIEOGL-AWEZNQCLSA-N 1 0 398.485 -0.552 20 0 GBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000514552367 1072659647 /nfs/dbraw/zinc/65/96/47/1072659647.db2.gz RPKQKZXAEIEOGL-CQSZACIVSA-N 1 0 398.485 -0.552 20 0 GBADRO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514567049 1072660904 /nfs/dbraw/zinc/66/09/04/1072660904.db2.gz IMFMUUBLRQVDCI-UHFFFAOYSA-N 1 0 383.493 -0.569 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000514587988 1072661082 /nfs/dbraw/zinc/66/10/82/1072661082.db2.gz JKYXMDBDCBPINL-DLBZAZTESA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000514587989 1072661073 /nfs/dbraw/zinc/66/10/73/1072661073.db2.gz JKYXMDBDCBPINL-IAGOWNOFSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000514587990 1072661019 /nfs/dbraw/zinc/66/10/19/1072661019.db2.gz JKYXMDBDCBPINL-IRXDYDNUSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000514587991 1072661030 /nfs/dbraw/zinc/66/10/30/1072661030.db2.gz JKYXMDBDCBPINL-SJORKVTESA-N 1 0 392.500 -0.221 20 0 GBADRO CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000514591327 1072661872 /nfs/dbraw/zinc/66/18/72/1072661872.db2.gz VUNSGZRPTZDBCH-CABCVRRESA-N 1 0 395.529 -0.661 20 0 GBADRO CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000514591338 1072661637 /nfs/dbraw/zinc/66/16/37/1072661637.db2.gz VUNSGZRPTZDBCH-GJZGRUSLSA-N 1 0 395.529 -0.661 20 0 GBADRO CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000514591339 1072661484 /nfs/dbraw/zinc/66/14/84/1072661484.db2.gz VUNSGZRPTZDBCH-HUUCEWRRSA-N 1 0 395.529 -0.661 20 0 GBADRO CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000514591340 1072661697 /nfs/dbraw/zinc/66/16/97/1072661697.db2.gz VUNSGZRPTZDBCH-LSDHHAIUSA-N 1 0 395.529 -0.661 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2cccs2)CC1 ZINC000514596351 1072661564 /nfs/dbraw/zinc/66/15/64/1072661564.db2.gz SVJQKIICQRZWED-HNNXBMFYSA-N 1 0 377.514 -0.097 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2cccs2)CC1 ZINC000514596352 1072661878 /nfs/dbraw/zinc/66/18/78/1072661878.db2.gz SVJQKIICQRZWED-OAHLLOKOSA-N 1 0 377.514 -0.097 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)[C@H](C[NH3+])C1 ZINC000514596454 1072661441 /nfs/dbraw/zinc/66/14/41/1072661441.db2.gz RZGMZJSGQVNBNB-CYBMUJFWSA-N 1 0 399.446 -0.976 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000514596455 1073517255 /nfs/dbraw/zinc/51/72/55/1073517255.db2.gz RZGMZJSGQVNBNB-ZDUSSCGKSA-N 1 0 399.446 -0.976 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000514602082 1072662370 /nfs/dbraw/zinc/66/23/70/1072662370.db2.gz JPSGBKUBEBFNAC-WBVHZDCISA-N 1 0 394.497 -0.029 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000514605894 1072663211 /nfs/dbraw/zinc/66/32/11/1072663211.db2.gz SKYMALDOQXFTEL-HNNXBMFYSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000514605900 1072663224 /nfs/dbraw/zinc/66/32/24/1072663224.db2.gz SKYMALDOQXFTEL-OAHLLOKOSA-N 1 0 394.497 -0.222 20 0 GBADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)([NH+](C)C)C1 ZINC000514608665 1072663317 /nfs/dbraw/zinc/66/33/17/1072663317.db2.gz ICUZAVITNBDYBC-BFUOFWGJSA-N 1 0 391.472 -0.101 20 0 GBADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)([NH+](C)C)C1 ZINC000514608666 1072663451 /nfs/dbraw/zinc/66/34/51/1072663451.db2.gz ICUZAVITNBDYBC-DJJJIMSYSA-N 1 0 391.472 -0.101 20 0 GBADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)([NH+](C)C)C1 ZINC000514608667 1072663443 /nfs/dbraw/zinc/66/34/43/1072663443.db2.gz ICUZAVITNBDYBC-ORAYPTAESA-N 1 0 391.472 -0.101 20 0 GBADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)([NH+](C)C)C1 ZINC000514608668 1072663338 /nfs/dbraw/zinc/66/33/38/1072663338.db2.gz ICUZAVITNBDYBC-YJYMSZOUSA-N 1 0 391.472 -0.101 20 0 GBADRO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCNC2=O)[C@@H](C)CN1CC[C@H]1CCNC1=O ZINC000514610997 1072663184 /nfs/dbraw/zinc/66/31/84/1072663184.db2.gz FTWUIVYIQNKHGM-JONQDZQNSA-N 1 0 380.489 -0.414 20 0 GBADRO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCNC2=O)[C@H](C)CN1CC[C@H]1CCNC1=O ZINC000514610998 1072663240 /nfs/dbraw/zinc/66/32/40/1072663240.db2.gz FTWUIVYIQNKHGM-QXSJWSMHSA-N 1 0 380.489 -0.414 20 0 GBADRO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCNC2=O)[C@H](C)CN1CC[C@@H]1CCNC1=O ZINC000514610999 1072663505 /nfs/dbraw/zinc/66/35/05/1072663505.db2.gz FTWUIVYIQNKHGM-UGUYLWEFSA-N 1 0 380.489 -0.414 20 0 GBADRO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCNC2=O)[C@@H](C)CN1CC[C@@H]1CCNC1=O ZINC000514611000 1072663472 /nfs/dbraw/zinc/66/34/72/1072663472.db2.gz FTWUIVYIQNKHGM-VGWMRTNUSA-N 1 0 380.489 -0.414 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000514614800 1072664107 /nfs/dbraw/zinc/66/41/07/1072664107.db2.gz LEJXMPGWZFFHBK-GXTWGEPZSA-N 1 0 395.485 -0.867 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000514614801 1072664052 /nfs/dbraw/zinc/66/40/52/1072664052.db2.gz LEJXMPGWZFFHBK-JSGCOSHPSA-N 1 0 395.485 -0.867 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000514614902 1072664137 /nfs/dbraw/zinc/66/41/37/1072664137.db2.gz LEJXMPGWZFFHBK-OCCSQVGLSA-N 1 0 395.485 -0.867 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000514614903 1072664328 /nfs/dbraw/zinc/66/43/28/1072664328.db2.gz LEJXMPGWZFFHBK-TZMCWYRMSA-N 1 0 395.485 -0.867 20 0 GBADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000514615661 1073516817 /nfs/dbraw/zinc/51/68/17/1073516817.db2.gz CUZVSASZHKXMCO-UHFFFAOYSA-N 1 0 378.429 -0.330 20 0 GBADRO CNC(=O)C(C)(C)CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000514619610 1072664153 /nfs/dbraw/zinc/66/41/53/1072664153.db2.gz MRKHEOTUJHHVJY-UHFFFAOYSA-N 1 0 390.488 -0.662 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C[NH+]1CCCC1 ZINC000514626565 1072665256 /nfs/dbraw/zinc/66/52/56/1072665256.db2.gz ZEWKCISCGSUKLL-UHFFFAOYSA-N 1 0 381.521 -0.367 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000514658705 1072666906 /nfs/dbraw/zinc/66/69/06/1072666906.db2.gz HVMRYDBRMVIEOX-KRWDZBQOSA-N 1 0 393.532 -0.304 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000514658706 1072666749 /nfs/dbraw/zinc/66/67/49/1072666749.db2.gz HVMRYDBRMVIEOX-QGZVFWFLSA-N 1 0 393.532 -0.304 20 0 GBADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000514662654 1072667079 /nfs/dbraw/zinc/66/70/79/1072667079.db2.gz KTWGBMQQGOJKLD-INIZCTEOSA-N 1 0 392.456 -0.654 20 0 GBADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000514662655 1072667117 /nfs/dbraw/zinc/66/71/17/1072667117.db2.gz KTWGBMQQGOJKLD-MRXNPFEDSA-N 1 0 392.456 -0.654 20 0 GBADRO COC[C@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000514663570 1072668141 /nfs/dbraw/zinc/66/81/41/1072668141.db2.gz HJGYCZWWLIIFAD-AWEZNQCLSA-N 1 0 382.848 -0.308 20 0 GBADRO COC[C@@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000514663571 1072667679 /nfs/dbraw/zinc/66/76/79/1072667679.db2.gz HJGYCZWWLIIFAD-CQSZACIVSA-N 1 0 382.848 -0.308 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000514663821 1072667581 /nfs/dbraw/zinc/66/75/81/1072667581.db2.gz TYLZBXRKLLZRRB-KRWDZBQOSA-N 1 0 387.484 -0.474 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000514663822 1072667864 /nfs/dbraw/zinc/66/78/64/1072667864.db2.gz TYLZBXRKLLZRRB-QGZVFWFLSA-N 1 0 387.484 -0.474 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000514668714 1072669061 /nfs/dbraw/zinc/66/90/61/1072669061.db2.gz KYRLBRPJXQJYLG-DZGCQCFKSA-N 1 0 396.469 -0.265 20 0 GBADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000514668715 1072668745 /nfs/dbraw/zinc/66/87/45/1072668745.db2.gz KYRLBRPJXQJYLG-HIFRSBDPSA-N 1 0 396.469 -0.265 20 0 GBADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000514668716 1072669138 /nfs/dbraw/zinc/66/91/38/1072669138.db2.gz KYRLBRPJXQJYLG-UKRRQHHQSA-N 1 0 396.469 -0.265 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000514668717 1072668583 /nfs/dbraw/zinc/66/85/83/1072668583.db2.gz KYRLBRPJXQJYLG-ZFWWWQNUSA-N 1 0 396.469 -0.265 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000514671634 1072668978 /nfs/dbraw/zinc/66/89/78/1072668978.db2.gz XPSQQSYZSKSDJR-ZBFHGGJFSA-N 1 0 380.493 -0.358 20 0 GBADRO C[C@H]1C[NH2+]CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000514672954 1072669110 /nfs/dbraw/zinc/66/91/10/1072669110.db2.gz CVTGXKHUDNSNAC-AWEZNQCLSA-N 1 0 384.477 -0.048 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCN1CC[NH2+]CC1 ZINC000514673441 1072669100 /nfs/dbraw/zinc/66/91/00/1072669100.db2.gz KUUQNVOTBFATBX-KRWDZBQOSA-N 1 0 381.521 -0.889 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCN1CC[NH2+]CC1 ZINC000514673442 1072668708 /nfs/dbraw/zinc/66/87/08/1072668708.db2.gz KUUQNVOTBFATBX-QGZVFWFLSA-N 1 0 381.521 -0.889 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000514673852 530328757 /nfs/dbraw/zinc/32/87/57/530328757.db2.gz SJASTQXNSCGLDK-LLVKDONJSA-N 1 0 378.401 -0.180 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000514673855 530328810 /nfs/dbraw/zinc/32/88/10/530328810.db2.gz SJASTQXNSCGLDK-NSHDSACASA-N 1 0 378.401 -0.180 20 0 GBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000514675535 1072668470 /nfs/dbraw/zinc/66/84/70/1072668470.db2.gz GYORRGOWMLPOEX-GFCCVEGCSA-N 1 0 385.442 -0.477 20 0 GBADRO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000514675536 1073886275 /nfs/dbraw/zinc/88/62/75/1073886275.db2.gz GYORRGOWMLPOEX-LBPRGKRZSA-N 1 0 385.442 -0.477 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676604 1072668775 /nfs/dbraw/zinc/66/87/75/1072668775.db2.gz CQMWQJFGKXGBHX-CHWSQXEVSA-N 1 0 377.445 -0.491 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676605 1073889633 /nfs/dbraw/zinc/88/96/33/1073889633.db2.gz CQMWQJFGKXGBHX-OLZOCXBDSA-N 1 0 377.445 -0.491 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676606 1073889989 /nfs/dbraw/zinc/88/99/89/1073889989.db2.gz CQMWQJFGKXGBHX-QWHCGFSZSA-N 1 0 377.445 -0.491 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000514676607 1072668593 /nfs/dbraw/zinc/66/85/93/1072668593.db2.gz CQMWQJFGKXGBHX-STQMWFEESA-N 1 0 377.445 -0.491 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514677356 1073891255 /nfs/dbraw/zinc/89/12/55/1073891255.db2.gz GSRDPKOTJUTDCB-ILXRZTDVSA-N 1 0 384.444 -0.955 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514677380 1073891151 /nfs/dbraw/zinc/89/11/51/1073891151.db2.gz GSRDPKOTJUTDCB-KFWWJZLASA-N 1 0 384.444 -0.955 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514677383 1072667953 /nfs/dbraw/zinc/66/79/53/1072667953.db2.gz GSRDPKOTJUTDCB-KKUMJFAQSA-N 1 0 384.444 -0.955 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514677385 1072668129 /nfs/dbraw/zinc/66/81/29/1072668129.db2.gz GSRDPKOTJUTDCB-ZNMIVQPWSA-N 1 0 384.444 -0.955 20 0 GBADRO NS(=O)(=O)c1cc(Br)cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514677730 530331423 /nfs/dbraw/zinc/33/14/23/530331423.db2.gz KPFAYCFGDALGFE-BDAKNGLRSA-N 1 0 390.263 -0.760 20 0 GBADRO NS(=O)(=O)c1cc(Br)cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514677736 530331393 /nfs/dbraw/zinc/33/13/93/530331393.db2.gz KPFAYCFGDALGFE-DTWKUNHWSA-N 1 0 390.263 -0.760 20 0 GBADRO NS(=O)(=O)c1cc(Br)cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514677740 530331471 /nfs/dbraw/zinc/33/14/71/530331471.db2.gz KPFAYCFGDALGFE-IUCAKERBSA-N 1 0 390.263 -0.760 20 0 GBADRO NS(=O)(=O)c1cc(Br)cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514677742 530331446 /nfs/dbraw/zinc/33/14/46/530331446.db2.gz KPFAYCFGDALGFE-RKDXNWHRSA-N 1 0 390.263 -0.760 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678751 530331857 /nfs/dbraw/zinc/33/18/57/530331857.db2.gz VDLIQNRYHBPUOU-CHWSQXEVSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678758 530331735 /nfs/dbraw/zinc/33/17/35/530331735.db2.gz VDLIQNRYHBPUOU-OLZOCXBDSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678759 530332014 /nfs/dbraw/zinc/33/20/14/530332014.db2.gz VDLIQNRYHBPUOU-QWHCGFSZSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000514678760 530331966 /nfs/dbraw/zinc/33/19/66/530331966.db2.gz VDLIQNRYHBPUOU-STQMWFEESA-N 1 0 395.257 -0.051 20 0 GBADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514678857 1073894639 /nfs/dbraw/zinc/89/46/39/1073894639.db2.gz WBPLACGLLRPXAK-BMFZPTHFSA-N 1 0 388.468 -0.251 20 0 GBADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514678860 1072667996 /nfs/dbraw/zinc/66/79/96/1072667996.db2.gz WBPLACGLLRPXAK-FVQBIDKESA-N 1 0 388.468 -0.251 20 0 GBADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514678863 1072668023 /nfs/dbraw/zinc/66/80/23/1072668023.db2.gz WBPLACGLLRPXAK-KBMXLJTQSA-N 1 0 388.468 -0.251 20 0 GBADRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514678868 1072667916 /nfs/dbraw/zinc/66/79/16/1072667916.db2.gz WBPLACGLLRPXAK-VNQPRFMTSA-N 1 0 388.468 -0.251 20 0 GBADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1)C(=O)N1CCOCC1 ZINC000514683523 1072667793 /nfs/dbraw/zinc/66/77/93/1072667793.db2.gz CYAYVFCFYHVPGC-INIZCTEOSA-N 1 0 398.504 -0.643 20 0 GBADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1)C(=O)N1CCOCC1 ZINC000514683524 1072668657 /nfs/dbraw/zinc/66/86/57/1072668657.db2.gz CYAYVFCFYHVPGC-MRXNPFEDSA-N 1 0 398.504 -0.643 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000514688632 1072671539 /nfs/dbraw/zinc/67/15/39/1072671539.db2.gz RKPHPJAIZLMFAE-HNNXBMFYSA-N 1 0 383.493 -0.478 20 0 GBADRO Cn1c2c(ccn2CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(=O)n(C)c1=O ZINC000514708439 1072671647 /nfs/dbraw/zinc/67/16/47/1072671647.db2.gz USFVXFLVEFJBSP-UHFFFAOYSA-N 1 0 390.488 -0.819 20 0 GBADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000514717476 1072671499 /nfs/dbraw/zinc/67/14/99/1072671499.db2.gz AHBLOMAKJHFHDL-BEFAXECRSA-N 1 0 378.473 -0.610 20 0 GBADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000514717477 1072671580 /nfs/dbraw/zinc/67/15/80/1072671580.db2.gz AHBLOMAKJHFHDL-DNVCBOLYSA-N 1 0 378.473 -0.610 20 0 GBADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000514717478 1072671633 /nfs/dbraw/zinc/67/16/33/1072671633.db2.gz AHBLOMAKJHFHDL-HNAYVOBHSA-N 1 0 378.473 -0.610 20 0 GBADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000514717479 1072671528 /nfs/dbraw/zinc/67/15/28/1072671528.db2.gz AHBLOMAKJHFHDL-KXBFYZLASA-N 1 0 378.473 -0.610 20 0 GBADRO [NH3+][C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000514720785 1072672392 /nfs/dbraw/zinc/67/23/92/1072672392.db2.gz DLCRQKXVCNPLHR-AWEZNQCLSA-N 1 0 382.490 -0.724 20 0 GBADRO CC1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]CC1 ZINC000514721913 1072672385 /nfs/dbraw/zinc/67/23/85/1072672385.db2.gz GRYDBRAXVXABSP-UHFFFAOYSA-N 1 0 389.522 -0.720 20 0 GBADRO O=C(CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000514722145 1072672253 /nfs/dbraw/zinc/67/22/53/1072672253.db2.gz RFVGQNJGLSPIEB-BRWVUGGUSA-N 1 0 385.468 -0.126 20 0 GBADRO O=C(CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000514722146 1072672584 /nfs/dbraw/zinc/67/25/84/1072672584.db2.gz RFVGQNJGLSPIEB-IKGGRYGDSA-N 1 0 385.468 -0.126 20 0 GBADRO O=C(CNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000514722147 1072672400 /nfs/dbraw/zinc/67/24/00/1072672400.db2.gz RFVGQNJGLSPIEB-IXDOHACOSA-N 1 0 385.468 -0.126 20 0 GBADRO O=C(CNC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000514722148 1072672480 /nfs/dbraw/zinc/67/24/80/1072672480.db2.gz RFVGQNJGLSPIEB-ZACQAIPSSA-N 1 0 385.468 -0.126 20 0 GBADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000514722223 1072672711 /nfs/dbraw/zinc/67/27/11/1072672711.db2.gz XOCXZXOTQLAOPN-AWEZNQCLSA-N 1 0 385.534 -0.368 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000514722232 1072672677 /nfs/dbraw/zinc/67/26/77/1072672677.db2.gz XOCXZXOTQLAOPN-CQSZACIVSA-N 1 0 385.534 -0.368 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000514722277 1072672547 /nfs/dbraw/zinc/67/25/47/1072672547.db2.gz YSQMYOFWWXQWIB-UHFFFAOYSA-N 1 0 389.500 -0.003 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000514722372 1072672360 /nfs/dbraw/zinc/67/23/60/1072672360.db2.gz JSBIILJRBKSUBX-KRWDZBQOSA-N 1 0 389.500 -0.005 20 0 GBADRO COc1cccc(CC(=O)N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000514722373 1072672510 /nfs/dbraw/zinc/67/25/10/1072672510.db2.gz JSBIILJRBKSUBX-QGZVFWFLSA-N 1 0 389.500 -0.005 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000514727239 1072673874 /nfs/dbraw/zinc/67/38/74/1072673874.db2.gz PMDOBLBNQPFCOC-BNOWGMLFSA-N 1 0 380.470 -0.195 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000514727241 1072673975 /nfs/dbraw/zinc/67/39/75/1072673975.db2.gz PMDOBLBNQPFCOC-YUTCNCBUSA-N 1 0 380.470 -0.195 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000514732364 1072674692 /nfs/dbraw/zinc/67/46/92/1072674692.db2.gz KQMARBQGDHKICD-UHFFFAOYSA-N 1 0 393.532 -0.270 20 0 GBADRO COc1ccccc1CC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000514735909 1072675690 /nfs/dbraw/zinc/67/56/90/1072675690.db2.gz FIEXNNNDUNKLSC-INIZCTEOSA-N 1 0 388.468 -0.177 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000514749458 1072675648 /nfs/dbraw/zinc/67/56/48/1072675648.db2.gz QSTVNTUUKXMCNV-CABCVRRESA-N 1 0 392.522 -0.865 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000514749459 1072675707 /nfs/dbraw/zinc/67/57/07/1072675707.db2.gz QSTVNTUUKXMCNV-GJZGRUSLSA-N 1 0 392.522 -0.865 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000514749460 1072675567 /nfs/dbraw/zinc/67/55/67/1072675567.db2.gz QSTVNTUUKXMCNV-HUUCEWRRSA-N 1 0 392.522 -0.865 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000514749461 1072675609 /nfs/dbraw/zinc/67/56/09/1072675609.db2.gz QSTVNTUUKXMCNV-LSDHHAIUSA-N 1 0 392.522 -0.865 20 0 GBADRO O=C(NCC1CCSCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514784373 1072679282 /nfs/dbraw/zinc/67/92/82/1072679282.db2.gz LDZZVBJJTAYNNF-HNNXBMFYSA-N 1 0 382.530 -0.084 20 0 GBADRO O=C(NCC1CCSCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514784374 1072679378 /nfs/dbraw/zinc/67/93/78/1072679378.db2.gz LDZZVBJJTAYNNF-OAHLLOKOSA-N 1 0 382.530 -0.084 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000514784450 1072679707 /nfs/dbraw/zinc/67/97/07/1072679707.db2.gz ZESIHEHOPWWBEU-GFCCVEGCSA-N 1 0 382.486 -0.018 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000514784451 1072679819 /nfs/dbraw/zinc/67/98/19/1072679819.db2.gz ZESIHEHOPWWBEU-LBPRGKRZSA-N 1 0 382.486 -0.018 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(nnc3C3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000514787746 1072679329 /nfs/dbraw/zinc/67/93/29/1072679329.db2.gz MNPKTTCUSFGSJS-AWEZNQCLSA-N 1 0 375.477 -0.621 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(nnc3C3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000514787747 1072679807 /nfs/dbraw/zinc/67/98/07/1072679807.db2.gz MNPKTTCUSFGSJS-CQSZACIVSA-N 1 0 375.477 -0.621 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000514787802 1072679790 /nfs/dbraw/zinc/67/97/90/1072679790.db2.gz YFIINKMVLHJDJR-BEFAXECRSA-N 1 0 378.473 -0.562 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000514787803 1072679854 /nfs/dbraw/zinc/67/98/54/1072679854.db2.gz YFIINKMVLHJDJR-DNVCBOLYSA-N 1 0 378.473 -0.562 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000514787804 1072679834 /nfs/dbraw/zinc/67/98/34/1072679834.db2.gz YFIINKMVLHJDJR-HNAYVOBHSA-N 1 0 378.473 -0.562 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000514787805 1072679404 /nfs/dbraw/zinc/67/94/04/1072679404.db2.gz YFIINKMVLHJDJR-KXBFYZLASA-N 1 0 378.473 -0.562 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000514788349 1072679849 /nfs/dbraw/zinc/67/98/49/1072679849.db2.gz JRYXOIKOUMCFNT-AWEZNQCLSA-N 1 0 397.501 -0.208 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000514788353 1072679812 /nfs/dbraw/zinc/67/98/12/1072679812.db2.gz JRYXOIKOUMCFNT-CQSZACIVSA-N 1 0 397.501 -0.208 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514789494 1072679830 /nfs/dbraw/zinc/67/98/30/1072679830.db2.gz LNEKIDLRHDCCOQ-DOMZBBRYSA-N 1 0 382.486 -0.219 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514789500 1072679857 /nfs/dbraw/zinc/67/98/57/1072679857.db2.gz LNEKIDLRHDCCOQ-IUODEOHRSA-N 1 0 382.486 -0.219 20 0 GBADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514789501 1072679753 /nfs/dbraw/zinc/67/97/53/1072679753.db2.gz LNEKIDLRHDCCOQ-SWLSCSKDSA-N 1 0 382.486 -0.219 20 0 GBADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514789503 1072680670 /nfs/dbraw/zinc/68/06/70/1072680670.db2.gz LNEKIDLRHDCCOQ-WFASDCNBSA-N 1 0 382.486 -0.219 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000514792050 1072680751 /nfs/dbraw/zinc/68/07/51/1072680751.db2.gz DMCGSIIJDRCVIN-HNNXBMFYSA-N 1 0 396.517 -0.334 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000514792051 1072680920 /nfs/dbraw/zinc/68/09/20/1072680920.db2.gz DMCGSIIJDRCVIN-OAHLLOKOSA-N 1 0 396.517 -0.334 20 0 GBADRO CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC[NH2+]1 ZINC000514792072 1072680581 /nfs/dbraw/zinc/68/05/81/1072680581.db2.gz GXEHWKUMKRIAJI-UHFFFAOYSA-N 1 0 382.486 -0.005 20 0 GBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000514792439 1072680588 /nfs/dbraw/zinc/68/05/88/1072680588.db2.gz MOZNCPNJEYEQNC-KRWDZBQOSA-N 1 0 396.513 -0.449 20 0 GBADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000514792440 1072680467 /nfs/dbraw/zinc/68/04/67/1072680467.db2.gz MOZNCPNJEYEQNC-QGZVFWFLSA-N 1 0 396.513 -0.449 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000514793901 1072680771 /nfs/dbraw/zinc/68/07/71/1072680771.db2.gz UVQVAIYDTWFCQV-UHFFFAOYSA-N 1 0 388.472 -0.584 20 0 GBADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H](C)CO ZINC000514802056 1072682803 /nfs/dbraw/zinc/68/28/03/1072682803.db2.gz QPPXIIAYTXKJHU-LBPRGKRZSA-N 1 0 388.490 -0.173 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000514806209 1072682829 /nfs/dbraw/zinc/68/28/29/1072682829.db2.gz SSGKCJKYNSFBIX-HNNXBMFYSA-N 1 0 393.532 -0.402 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000514806210 1072682723 /nfs/dbraw/zinc/68/27/23/1072682723.db2.gz SSGKCJKYNSFBIX-OAHLLOKOSA-N 1 0 393.532 -0.402 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1)NC1CC1 ZINC000514817160 1072684674 /nfs/dbraw/zinc/68/46/74/1072684674.db2.gz CFMNXMWIOSDQSP-KRWDZBQOSA-N 1 0 391.516 -0.458 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1)NC1CC1 ZINC000514817161 1072684449 /nfs/dbraw/zinc/68/44/49/1072684449.db2.gz CFMNXMWIOSDQSP-QGZVFWFLSA-N 1 0 391.516 -0.458 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000514817700 1072684226 /nfs/dbraw/zinc/68/42/26/1072684226.db2.gz AKQKJUPEORILQK-UHFFFAOYSA-N 1 0 381.521 -0.937 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000514822850 1072683600 /nfs/dbraw/zinc/68/36/00/1072683600.db2.gz HFHPVTVDBDDSIR-ZDUSSCGKSA-N 1 0 385.490 -0.368 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cccc(-c2cccnc2)c1)N1CC[NH2+]CC1 ZINC000514824268 1072683777 /nfs/dbraw/zinc/68/37/77/1072683777.db2.gz AKNVSSRKMAWJNE-UHFFFAOYSA-N 1 0 381.436 -0.087 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000514824359 1072683133 /nfs/dbraw/zinc/68/31/33/1072683133.db2.gz DYTQNFIGSVSBOE-DLBZAZTESA-N 1 0 390.484 -0.120 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000514824361 1072683702 /nfs/dbraw/zinc/68/37/02/1072683702.db2.gz DYTQNFIGSVSBOE-IAGOWNOFSA-N 1 0 390.484 -0.120 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000514824362 1072683572 /nfs/dbraw/zinc/68/35/72/1072683572.db2.gz DYTQNFIGSVSBOE-IRXDYDNUSA-N 1 0 390.484 -0.120 20 0 GBADRO Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000514824363 1072683383 /nfs/dbraw/zinc/68/33/83/1072683383.db2.gz DYTQNFIGSVSBOE-SJORKVTESA-N 1 0 390.484 -0.120 20 0 GBADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)n(C)n1 ZINC000514824499 1072683410 /nfs/dbraw/zinc/68/34/10/1072683410.db2.gz JBTZNEDZTWXFFN-QLFBSQMISA-N 1 0 388.472 -0.307 20 0 GBADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2=O)n(C)n1 ZINC000514824501 1072683612 /nfs/dbraw/zinc/68/36/12/1072683612.db2.gz JBTZNEDZTWXFFN-ZNMIVQPWSA-N 1 0 388.472 -0.307 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000514843919 1072685349 /nfs/dbraw/zinc/68/53/49/1072685349.db2.gz NJNBYIZKXSGFRC-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000514843920 1072685468 /nfs/dbraw/zinc/68/54/68/1072685468.db2.gz NJNBYIZKXSGFRC-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000514843921 1072685397 /nfs/dbraw/zinc/68/53/97/1072685397.db2.gz NJNBYIZKXSGFRC-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000514843922 1072685434 /nfs/dbraw/zinc/68/54/34/1072685434.db2.gz NJNBYIZKXSGFRC-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO O=C(NCC1(N2CCOCC2)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514848177 1072687528 /nfs/dbraw/zinc/68/75/28/1072687528.db2.gz JFTFRFPWKLKMAT-INIZCTEOSA-N 1 0 379.505 -0.295 20 0 GBADRO O=C(NCC1(N2CCOCC2)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000514848185 1072687555 /nfs/dbraw/zinc/68/75/55/1072687555.db2.gz JFTFRFPWKLKMAT-MRXNPFEDSA-N 1 0 379.505 -0.295 20 0 GBADRO O=S(=O)(c1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1)N1CCOCC1 ZINC000514855929 1072689210 /nfs/dbraw/zinc/68/92/10/1072689210.db2.gz GZVGPFGFUGOSJB-KRWDZBQOSA-N 1 0 399.513 -0.510 20 0 GBADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1)N1CCOCC1 ZINC000514855930 1072688951 /nfs/dbraw/zinc/68/89/51/1072688951.db2.gz GZVGPFGFUGOSJB-QGZVFWFLSA-N 1 0 399.513 -0.510 20 0 GBADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856098 530372612 /nfs/dbraw/zinc/37/26/12/530372612.db2.gz QRSPFACCKWTVKT-KBPBESRZSA-N 1 0 377.532 -0.266 20 0 GBADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856099 530372965 /nfs/dbraw/zinc/37/29/65/530372965.db2.gz QRSPFACCKWTVKT-KGLIPLIRSA-N 1 0 377.532 -0.266 20 0 GBADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856100 530372710 /nfs/dbraw/zinc/37/27/10/530372710.db2.gz QRSPFACCKWTVKT-UONOGXRCSA-N 1 0 377.532 -0.266 20 0 GBADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000514856101 530372681 /nfs/dbraw/zinc/37/26/81/530372681.db2.gz QRSPFACCKWTVKT-ZIAGYGMSSA-N 1 0 377.532 -0.266 20 0 GBADRO O=C(CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1)N1CCCCC1 ZINC000514860501 1072689642 /nfs/dbraw/zinc/68/96/42/1072689642.db2.gz XWCKWYFGJNFOCW-INIZCTEOSA-N 1 0 389.504 -0.200 20 0 GBADRO O=C(CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1)N1CCCCC1 ZINC000514860506 1072689771 /nfs/dbraw/zinc/68/97/71/1072689771.db2.gz XWCKWYFGJNFOCW-MRXNPFEDSA-N 1 0 389.504 -0.200 20 0 GBADRO CNC(=O)[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)Cc1ccc(OC)c(F)c1 ZINC000514861067 1072690584 /nfs/dbraw/zinc/69/05/84/1072690584.db2.gz 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IRGFLRFIUUMGBB-CORIIIEPSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515356793 1072721182 /nfs/dbraw/zinc/72/11/82/1072721182.db2.gz IRGFLRFIUUMGBB-LNSITVRQSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515356794 1072721324 /nfs/dbraw/zinc/72/13/24/1072721324.db2.gz IRGFLRFIUUMGBB-NJZAAPMLSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515356795 1072721516 /nfs/dbraw/zinc/72/15/16/1072721516.db2.gz IRGFLRFIUUMGBB-WHOFXGATSA-N 1 0 395.485 -0.391 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1OC ZINC000515357019 1072721437 /nfs/dbraw/zinc/72/14/37/1072721437.db2.gz QMAFGORUPDUOAF-UHFFFAOYSA-N 1 0 376.417 -0.310 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000515374533 1072722012 /nfs/dbraw/zinc/72/20/12/1072722012.db2.gz TZJACATVCFFNJU-DLBZAZTESA-N 1 0 384.521 -0.456 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000515374534 1072721971 /nfs/dbraw/zinc/72/19/71/1072721971.db2.gz TZJACATVCFFNJU-IAGOWNOFSA-N 1 0 384.521 -0.456 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000515374535 1072722529 /nfs/dbraw/zinc/72/25/29/1072722529.db2.gz TZJACATVCFFNJU-IRXDYDNUSA-N 1 0 384.521 -0.456 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000515374536 1072722453 /nfs/dbraw/zinc/72/24/53/1072722453.db2.gz TZJACATVCFFNJU-SJORKVTESA-N 1 0 384.521 -0.456 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CCC1 ZINC000515378556 1072721962 /nfs/dbraw/zinc/72/19/62/1072721962.db2.gz VFYQYXIKLJUAKG-UHFFFAOYSA-N 1 0 379.442 -0.017 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515379524 1072722167 /nfs/dbraw/zinc/72/21/67/1072722167.db2.gz DKKHLYUYYBOLBS-INIZCTEOSA-N 1 0 399.503 -0.238 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515379525 1072722185 /nfs/dbraw/zinc/72/21/85/1072722185.db2.gz DKKHLYUYYBOLBS-MRXNPFEDSA-N 1 0 399.503 -0.238 20 0 GBADRO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[C@@H]([NH3+])C2)c(=O)[nH]c1=O ZINC000515384209 1072722513 /nfs/dbraw/zinc/72/25/13/1072722513.db2.gz DRRXYDNLSWKGSV-GFCCVEGCSA-N 1 0 382.465 -0.656 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000515384599 1072722568 /nfs/dbraw/zinc/72/25/68/1072722568.db2.gz ISYJYRUNZBQGRJ-CYBMUJFWSA-N 1 0 377.449 -0.513 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000515384600 1072722332 /nfs/dbraw/zinc/72/23/32/1072722332.db2.gz ISYJYRUNZBQGRJ-ZDUSSCGKSA-N 1 0 377.449 -0.513 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000515384934 1072722362 /nfs/dbraw/zinc/72/23/62/1072722362.db2.gz PLOWOIVCMQEHBQ-CVEARBPZSA-N 1 0 389.500 -0.311 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000515384939 1072722062 /nfs/dbraw/zinc/72/20/62/1072722062.db2.gz PLOWOIVCMQEHBQ-HOTGVXAUSA-N 1 0 389.500 -0.311 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000515384940 1072722096 /nfs/dbraw/zinc/72/20/96/1072722096.db2.gz PLOWOIVCMQEHBQ-HZPDHXFCSA-N 1 0 389.500 -0.311 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000515384941 1072721942 /nfs/dbraw/zinc/72/19/42/1072721942.db2.gz PLOWOIVCMQEHBQ-JKSUJKDBSA-N 1 0 389.500 -0.311 20 0 GBADRO Cc1nn(C)c(=O)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)c1C ZINC000515384968 1072722521 /nfs/dbraw/zinc/72/25/21/1072722521.db2.gz QLWAJBBXKYWJFN-UHFFFAOYSA-N 1 0 379.442 -0.114 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000515400344 1072722091 /nfs/dbraw/zinc/72/20/91/1072722091.db2.gz JCZZSZOLPLLVQD-GQIGUUNPSA-N 1 0 392.500 -0.391 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000515400345 1072722275 /nfs/dbraw/zinc/72/22/75/1072722275.db2.gz JCZZSZOLPLLVQD-JXXFODFXSA-N 1 0 392.500 -0.391 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000515400346 1072722106 /nfs/dbraw/zinc/72/21/06/1072722106.db2.gz JCZZSZOLPLLVQD-RZQQEMMASA-N 1 0 392.500 -0.391 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000515400347 1072722992 /nfs/dbraw/zinc/72/29/92/1072722992.db2.gz JCZZSZOLPLLVQD-TWOQFEAHSA-N 1 0 392.500 -0.391 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000515402163 1072723464 /nfs/dbraw/zinc/72/34/64/1072723464.db2.gz CEQAXYCCXOLVBS-DLBZAZTESA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000515402164 1072723088 /nfs/dbraw/zinc/72/30/88/1072723088.db2.gz CEQAXYCCXOLVBS-IAGOWNOFSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000515402165 1072723318 /nfs/dbraw/zinc/72/33/18/1072723318.db2.gz CEQAXYCCXOLVBS-IRXDYDNUSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000515402166 1072722866 /nfs/dbraw/zinc/72/28/66/1072722866.db2.gz CEQAXYCCXOLVBS-SJORKVTESA-N 1 0 392.500 -0.173 20 0 GBADRO NC(=O)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000515402635 1072723125 /nfs/dbraw/zinc/72/31/25/1072723125.db2.gz JRQHGLUUJFNBMU-CYBMUJFWSA-N 1 0 381.864 -0.285 20 0 GBADRO NC(=O)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000515402636 1072722930 /nfs/dbraw/zinc/72/29/30/1072722930.db2.gz JRQHGLUUJFNBMU-ZDUSSCGKSA-N 1 0 381.864 -0.285 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)N1CCCCCC1 ZINC000515404108 1072723414 /nfs/dbraw/zinc/72/34/14/1072723414.db2.gz PRXFGKVYYCQUKF-SJORKVTESA-N 1 0 391.516 -0.647 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cccc(CN2CCOCC2)c1 ZINC000515406000 1072723275 /nfs/dbraw/zinc/72/32/75/1072723275.db2.gz TWULFVNQYDTYQS-UHFFFAOYSA-N 1 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[NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)CCN2C1=O ZINC000515434558 530373673 /nfs/dbraw/zinc/37/36/73/530373673.db2.gz MBHHJSYYEKGVRL-STQMWFEESA-N 1 0 395.257 -0.164 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OC)c1 ZINC000515434791 1072724788 /nfs/dbraw/zinc/72/47/88/1072724788.db2.gz PLCKTTDLOATMBJ-CABCVRRESA-N 1 0 390.440 -0.022 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(OC)c1 ZINC000515434795 1072724696 /nfs/dbraw/zinc/72/46/96/1072724696.db2.gz PLCKTTDLOATMBJ-GJZGRUSLSA-N 1 0 390.440 -0.022 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(OC)c1 ZINC000515434796 1072724920 /nfs/dbraw/zinc/72/49/20/1072724920.db2.gz PLCKTTDLOATMBJ-HUUCEWRRSA-N 1 0 390.440 -0.022 20 0 GBADRO COC(=O)c1ccc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(OC)c1 ZINC000515434797 1072724893 /nfs/dbraw/zinc/72/48/93/1072724893.db2.gz PLCKTTDLOATMBJ-LSDHHAIUSA-N 1 0 390.440 -0.022 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435077 1072725102 /nfs/dbraw/zinc/72/51/02/1072725102.db2.gz WBWOSWHLYPMQLU-DUBDDPSESA-N 1 0 396.369 -0.154 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435078 1072725055 /nfs/dbraw/zinc/72/50/55/1072725055.db2.gz WBWOSWHLYPMQLU-RDBQEKCUSA-N 1 0 396.369 -0.154 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CCN2C1=O ZINC000515435080 1072724605 /nfs/dbraw/zinc/72/46/05/1072724605.db2.gz WBWOSWHLYPMQLU-XXSPCDMZSA-N 1 0 396.369 -0.154 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000515437561 1072725770 /nfs/dbraw/zinc/72/57/70/1072725770.db2.gz HMDWXPQEKNRPPE-UHFFFAOYSA-N 1 0 382.486 -0.237 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000515439669 1072724674 /nfs/dbraw/zinc/72/46/74/1072724674.db2.gz IDISOUFURACSMO-KRWDZBQOSA-N 1 0 397.564 -0.709 20 0 GBADRO 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CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000515672558 1072735538 /nfs/dbraw/zinc/73/55/38/1072735538.db2.gz DUUOEPIOGJIJFS-KGLIPLIRSA-N 1 0 398.427 -0.931 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000515672559 1072735364 /nfs/dbraw/zinc/73/53/64/1072735364.db2.gz DUUOEPIOGJIJFS-UONOGXRCSA-N 1 0 398.427 -0.931 20 0 GBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000515672560 1072735438 /nfs/dbraw/zinc/73/54/38/1072735438.db2.gz DUUOEPIOGJIJFS-ZIAGYGMSSA-N 1 0 398.427 -0.931 20 0 GBADRO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2)no1 ZINC000515672605 1072735550 /nfs/dbraw/zinc/73/55/50/1072735550.db2.gz FTUSUUWTNAUYOE-KBPBESRZSA-N 1 0 384.396 -0.246 20 0 GBADRO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2)no1 ZINC000515672606 1072735616 /nfs/dbraw/zinc/73/56/16/1072735616.db2.gz FTUSUUWTNAUYOE-KGLIPLIRSA-N 1 0 384.396 -0.246 20 0 GBADRO 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C[C@H](CNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)C[NH+]1CCN(C)CC1 ZINC000515680463 1072737832 /nfs/dbraw/zinc/73/78/32/1072737832.db2.gz LDWGHLKIPYVVEN-IAGOWNOFSA-N 1 0 390.532 -0.189 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C[NH+]1CCN(C)CC1 ZINC000515680464 1072737678 /nfs/dbraw/zinc/73/76/78/1072737678.db2.gz LDWGHLKIPYVVEN-IRXDYDNUSA-N 1 0 390.532 -0.189 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)C[NH+]1CCN(C)CC1 ZINC000515680465 1072737712 /nfs/dbraw/zinc/73/77/12/1072737712.db2.gz LDWGHLKIPYVVEN-SJORKVTESA-N 1 0 390.532 -0.189 20 0 GBADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCC(=O)N1C1CC1 ZINC000515693598 1072736573 /nfs/dbraw/zinc/73/65/73/1072736573.db2.gz XUHFHYFCPQBEAQ-BJZITVGISA-N 1 0 390.488 -0.020 20 0 GBADRO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CCC(=O)N1C1CC1 ZINC000515693599 1072736159 /nfs/dbraw/zinc/73/61/59/1072736159.db2.gz XUHFHYFCPQBEAQ-LSBZLQRGSA-N 1 0 390.488 -0.020 20 0 GBADRO 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CC(C)C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000515856456 1072743190 /nfs/dbraw/zinc/74/31/90/1072743190.db2.gz ULRIFTBABNXEKF-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869947 1072744718 /nfs/dbraw/zinc/74/47/18/1072744718.db2.gz ILGPROWOYIDNPL-GDBMZVCRSA-N 1 0 375.454 -0.136 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869950 1072744247 /nfs/dbraw/zinc/74/42/47/1072744247.db2.gz ILGPROWOYIDNPL-GOEBONIOSA-N 1 0 375.454 -0.136 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869952 1072744107 /nfs/dbraw/zinc/74/41/07/1072744107.db2.gz ILGPROWOYIDNPL-HOCLYGCPSA-N 1 0 375.454 -0.136 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CCN2C1=O ZINC000515869955 1072744087 /nfs/dbraw/zinc/74/40/87/1072744087.db2.gz ILGPROWOYIDNPL-ZBFHGGJFSA-N 1 0 375.454 -0.136 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)n1 ZINC000515870213 1072744630 /nfs/dbraw/zinc/74/46/30/1072744630.db2.gz MMSULDOVISCXTI-CABCVRRESA-N 1 0 376.461 -0.622 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)n1 ZINC000515870214 1072744501 /nfs/dbraw/zinc/74/45/01/1072744501.db2.gz MMSULDOVISCXTI-GJZGRUSLSA-N 1 0 376.461 -0.622 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)n1 ZINC000515870215 1072744068 /nfs/dbraw/zinc/74/40/68/1072744068.db2.gz MMSULDOVISCXTI-HUUCEWRRSA-N 1 0 376.461 -0.622 20 0 GBADRO CCCCn1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)n1 ZINC000515870217 1072744649 /nfs/dbraw/zinc/74/46/49/1072744649.db2.gz MMSULDOVISCXTI-LSDHHAIUSA-N 1 0 376.461 -0.622 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000515882010 1072745053 /nfs/dbraw/zinc/74/50/53/1072745053.db2.gz RXAOOHFNPGMKDX-UHFFFAOYSA-N 1 0 392.460 -0.959 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000515903603 1072746364 /nfs/dbraw/zinc/74/63/64/1072746364.db2.gz VEHWPFJYIGUFOI-BBWFWOEESA-N 1 0 394.516 -0.002 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000515903605 1072746580 /nfs/dbraw/zinc/74/65/80/1072746580.db2.gz VEHWPFJYIGUFOI-GVDBMIGSSA-N 1 0 394.516 -0.002 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000515903606 1072746038 /nfs/dbraw/zinc/74/60/38/1072746038.db2.gz VEHWPFJYIGUFOI-ULQDDVLXSA-N 1 0 394.516 -0.002 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000515903608 1072746509 /nfs/dbraw/zinc/74/65/09/1072746509.db2.gz VEHWPFJYIGUFOI-YESZJQIVSA-N 1 0 394.516 -0.002 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000515916734 1072747597 /nfs/dbraw/zinc/74/75/97/1072747597.db2.gz OBYQNRORJWSPKT-AWEZNQCLSA-N 1 0 398.485 -0.103 20 0 GBADRO 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CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ccc21 ZINC000516878402 1072814990 /nfs/dbraw/zinc/81/49/90/1072814990.db2.gz JEUCOOAOTVTFOE-UKRRQHHQSA-N 1 0 378.454 -0.472 20 0 GBADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)ccc21 ZINC000516878403 1072814603 /nfs/dbraw/zinc/81/46/03/1072814603.db2.gz JEUCOOAOTVTFOE-ZFWWWQNUSA-N 1 0 378.454 -0.472 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2ncccc12 ZINC000516878582 1072814875 /nfs/dbraw/zinc/81/48/75/1072814875.db2.gz PNPDPJOGSXHCMY-AAEUAGOBSA-N 1 0 383.408 -0.048 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2ncccc12 ZINC000516878583 1072814846 /nfs/dbraw/zinc/81/48/46/1072814846.db2.gz PNPDPJOGSXHCMY-DGCLKSJQSA-N 1 0 383.408 -0.048 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c2ncccc12 ZINC000516878584 1072814504 /nfs/dbraw/zinc/81/45/04/1072814504.db2.gz PNPDPJOGSXHCMY-WCQYABFASA-N 1 0 383.408 -0.048 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2ncccc12 ZINC000516878585 1072814974 /nfs/dbraw/zinc/81/49/74/1072814974.db2.gz PNPDPJOGSXHCMY-YPMHNXCESA-N 1 0 383.408 -0.048 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879209 1072815688 /nfs/dbraw/zinc/81/56/88/1072815688.db2.gz QXLWYNZHYSNPCN-IAOVAPTHSA-N 1 0 396.451 -0.180 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879210 1072815524 /nfs/dbraw/zinc/81/55/24/1072815524.db2.gz QXLWYNZHYSNPCN-JQFCIGGWSA-N 1 0 396.451 -0.180 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879211 1072815730 /nfs/dbraw/zinc/81/57/30/1072815730.db2.gz QXLWYNZHYSNPCN-RRQGHBQHSA-N 1 0 396.451 -0.180 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccc(-n2cccn2)c1 ZINC000516879212 1072815652 /nfs/dbraw/zinc/81/56/52/1072815652.db2.gz QXLWYNZHYSNPCN-XKQJLSEDSA-N 1 0 396.451 -0.180 20 0 GBADRO CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000516879272 1072814569 /nfs/dbraw/zinc/81/45/69/1072814569.db2.gz UHZCFGSCJLOKGA-GHMZBOCLSA-N 1 0 381.458 -0.184 20 0 GBADRO CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000516879273 1072815070 /nfs/dbraw/zinc/81/50/70/1072815070.db2.gz UHZCFGSCJLOKGA-MNOVXSKESA-N 1 0 381.458 -0.184 20 0 GBADRO CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000516879274 1072815793 /nfs/dbraw/zinc/81/57/93/1072815793.db2.gz UHZCFGSCJLOKGA-QWRGUYRKSA-N 1 0 381.458 -0.184 20 0 GBADRO CCOC(=O)c1csc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000516879275 1072815588 /nfs/dbraw/zinc/81/55/88/1072815588.db2.gz UHZCFGSCJLOKGA-WDEREUQCSA-N 1 0 381.458 -0.184 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)C1CCCC1 ZINC000516884760 1072815421 /nfs/dbraw/zinc/81/54/21/1072815421.db2.gz OVRWUULNZMHHFS-IBGZPJMESA-N 1 0 393.488 -0.186 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C1CCCC1 ZINC000516884761 1072815479 /nfs/dbraw/zinc/81/54/79/1072815479.db2.gz OVRWUULNZMHHFS-LJQANCHMSA-N 1 0 393.488 -0.186 20 0 GBADRO C[C@H](CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000516886924 1072815847 /nfs/dbraw/zinc/81/58/47/1072815847.db2.gz HHDZAFHGXAGKRJ-HUUCEWRRSA-N 1 0 388.534 -0.093 20 0 GBADRO C[C@@H](CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000516886925 1072815834 /nfs/dbraw/zinc/81/58/34/1072815834.db2.gz HHDZAFHGXAGKRJ-LSDHHAIUSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC2([S@@](C)=O)CC2)ccn1 ZINC000516889391 1072816259 /nfs/dbraw/zinc/81/62/59/1072816259.db2.gz AIQLVAPZWWEGOA-AREMUKBSSA-N 1 0 382.486 -0.335 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC2([S@](C)=O)CC2)ccn1 ZINC000516889392 1072816827 /nfs/dbraw/zinc/81/68/27/1072816827.db2.gz AIQLVAPZWWEGOA-SANMLTNESA-N 1 0 382.486 -0.335 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000516892557 1072816496 /nfs/dbraw/zinc/81/64/96/1072816496.db2.gz QXCDPPQZWUOTRY-ARFHVFGLSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000516892558 1072816721 /nfs/dbraw/zinc/81/67/21/1072816721.db2.gz QXCDPPQZWUOTRY-HRCADAONSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000516892559 1072816535 /nfs/dbraw/zinc/81/65/35/1072816535.db2.gz QXCDPPQZWUOTRY-JYJNAYRXSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000516892560 1072816923 /nfs/dbraw/zinc/81/69/23/1072816923.db2.gz QXCDPPQZWUOTRY-XHSDSOJGSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000516895004 1072816562 /nfs/dbraw/zinc/81/65/62/1072816562.db2.gz BVIDSXCQLHRHMR-CABCVRRESA-N 1 0 381.521 -0.356 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000516895005 1072816482 /nfs/dbraw/zinc/81/64/82/1072816482.db2.gz BVIDSXCQLHRHMR-HUUCEWRRSA-N 1 0 381.521 -0.356 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000516912847 1072817769 /nfs/dbraw/zinc/81/77/69/1072817769.db2.gz JIDKCFKNTZPLBV-MSOLQXFVSA-N 1 0 377.533 -0.079 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000516912848 1072818026 /nfs/dbraw/zinc/81/80/26/1072818026.db2.gz JIDKCFKNTZPLBV-QZTJIDSGSA-N 1 0 377.533 -0.079 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000516912849 1072817666 /nfs/dbraw/zinc/81/76/66/1072817666.db2.gz JIDKCFKNTZPLBV-ROUUACIJSA-N 1 0 377.533 -0.079 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000516912850 1072817634 /nfs/dbraw/zinc/81/76/34/1072817634.db2.gz JIDKCFKNTZPLBV-ZWKOTPCHSA-N 1 0 377.533 -0.079 20 0 GBADRO O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000516912961 1072817370 /nfs/dbraw/zinc/81/73/70/1072817370.db2.gz ZAEWAZBMXDMHHD-GOSISDBHSA-N 1 0 394.516 -0.510 20 0 GBADRO O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000516912962 1072817519 /nfs/dbraw/zinc/81/75/19/1072817519.db2.gz ZAEWAZBMXDMHHD-SFHVURJKSA-N 1 0 394.516 -0.510 20 0 GBADRO O=C(CNC(=O)N(CCN1CCOCC1)Cc1ccco1)N1CC[NH2+]CC1 ZINC000516916619 1072817412 /nfs/dbraw/zinc/81/74/12/1072817412.db2.gz CAGQWPKEQUGTNZ-UHFFFAOYSA-N 1 0 379.461 -0.445 20 0 GBADRO CN(CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)S(=O)(=O)c1ccc(F)cc1 ZINC000516916796 1072817291 /nfs/dbraw/zinc/81/72/91/1072817291.db2.gz UBWPHDYGINHFNO-AWEZNQCLSA-N 1 0 387.481 -0.351 20 0 GBADRO CN(CCNC(=O)NC[C@H]1C[NH2+]CCN1C)S(=O)(=O)c1ccc(F)cc1 ZINC000516916797 1072817684 /nfs/dbraw/zinc/81/76/84/1072817684.db2.gz UBWPHDYGINHFNO-CQSZACIVSA-N 1 0 387.481 -0.351 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000516918992 1072817930 /nfs/dbraw/zinc/81/79/30/1072817930.db2.gz KPLCTARFAFWVGV-DZGCQCFKSA-N 1 0 376.461 -0.059 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000516918993 1072817493 /nfs/dbraw/zinc/81/74/93/1072817493.db2.gz KPLCTARFAFWVGV-ZFWWWQNUSA-N 1 0 376.461 -0.059 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000516921056 1072818941 /nfs/dbraw/zinc/81/89/41/1072818941.db2.gz SJEJPHMRUJTHQJ-QLFBSQMISA-N 1 0 384.502 -0.634 20 0 GBADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000516921057 1072818579 /nfs/dbraw/zinc/81/85/79/1072818579.db2.gz SJEJPHMRUJTHQJ-ZNMIVQPWSA-N 1 0 384.502 -0.634 20 0 GBADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516923660 1072818909 /nfs/dbraw/zinc/81/89/09/1072818909.db2.gz KRQUXYAVIGJISO-CVEARBPZSA-N 1 0 381.521 -0.450 20 0 GBADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516923661 1072818750 /nfs/dbraw/zinc/81/87/50/1072818750.db2.gz KRQUXYAVIGJISO-HOTGVXAUSA-N 1 0 381.521 -0.450 20 0 GBADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516923662 1072818453 /nfs/dbraw/zinc/81/84/53/1072818453.db2.gz KRQUXYAVIGJISO-HZPDHXFCSA-N 1 0 381.521 -0.450 20 0 GBADRO CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516923663 1072818760 /nfs/dbraw/zinc/81/87/60/1072818760.db2.gz KRQUXYAVIGJISO-JKSUJKDBSA-N 1 0 381.521 -0.450 20 0 GBADRO CN1CCN(C(=O)c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000516924432 1072818875 /nfs/dbraw/zinc/81/88/75/1072818875.db2.gz LZLJKOYCLFJKKQ-UHFFFAOYSA-N 1 0 385.472 -0.056 20 0 GBADRO [NH3+]CCCn1cc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)nn1 ZINC000516924682 1072818493 /nfs/dbraw/zinc/81/84/93/1072818493.db2.gz VOKIUFNUUMKYQT-UHFFFAOYSA-N 1 0 377.493 -0.166 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000516925414 1072818850 /nfs/dbraw/zinc/81/88/50/1072818850.db2.gz OQVZSKZKUWCSQO-CYBMUJFWSA-N 1 0 383.474 -0.551 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000516925415 1072818549 /nfs/dbraw/zinc/81/85/49/1072818549.db2.gz OQVZSKZKUWCSQO-ZDUSSCGKSA-N 1 0 383.474 -0.551 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516927858 1072818867 /nfs/dbraw/zinc/81/88/67/1072818867.db2.gz ODZFFNOLHMCUSZ-HNNXBMFYSA-N 1 0 396.513 -0.269 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516927859 1072818825 /nfs/dbraw/zinc/81/88/25/1072818825.db2.gz ODZFFNOLHMCUSZ-OAHLLOKOSA-N 1 0 396.513 -0.269 20 0 GBADRO COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000516937908 1072819485 /nfs/dbraw/zinc/81/94/85/1072819485.db2.gz GPSWXMSAMKJJBS-GXTWGEPZSA-N 1 0 391.453 -0.187 20 0 GBADRO COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000516937910 1072819447 /nfs/dbraw/zinc/81/94/47/1072819447.db2.gz GPSWXMSAMKJJBS-JSGCOSHPSA-N 1 0 391.453 -0.187 20 0 GBADRO COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000516937911 1072820049 /nfs/dbraw/zinc/82/00/49/1072820049.db2.gz GPSWXMSAMKJJBS-OCCSQVGLSA-N 1 0 391.453 -0.187 20 0 GBADRO COc1ccccc1-n1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000516937912 1072819876 /nfs/dbraw/zinc/81/98/76/1072819876.db2.gz GPSWXMSAMKJJBS-TZMCWYRMSA-N 1 0 391.453 -0.187 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000516938909 1072819375 /nfs/dbraw/zinc/81/93/75/1072819375.db2.gz FCBXLOCUQWJAHF-GJZGRUSLSA-N 1 0 375.477 -0.057 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000516938910 1072819957 /nfs/dbraw/zinc/81/99/57/1072819957.db2.gz FCBXLOCUQWJAHF-LSDHHAIUSA-N 1 0 375.477 -0.057 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939144 1072819674 /nfs/dbraw/zinc/81/96/74/1072819674.db2.gz NWJFTIVSYBYOOO-FRRDWIJNSA-N 1 0 390.465 -0.574 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CSc4ccccc4O3)CCN2C1=O ZINC000516939145 1072820033 /nfs/dbraw/zinc/82/00/33/1072820033.db2.gz 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[NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041629 1072827657 /nfs/dbraw/zinc/82/76/57/1072827657.db2.gz CSQFVGVZRXYIHS-CVEARBPZSA-N 1 0 386.452 -0.138 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041630 1072827494 /nfs/dbraw/zinc/82/74/94/1072827494.db2.gz CSQFVGVZRXYIHS-HOTGVXAUSA-N 1 0 386.452 -0.138 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041632 1072827708 /nfs/dbraw/zinc/82/77/08/1072827708.db2.gz CSQFVGVZRXYIHS-HZPDHXFCSA-N 1 0 386.452 -0.138 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccccc3OCC3CC3)CCN2C1=O ZINC000517041634 1072827767 /nfs/dbraw/zinc/82/77/67/1072827767.db2.gz CSQFVGVZRXYIHS-JKSUJKDBSA-N 1 0 386.452 -0.138 20 0 GBADRO CN(CCC[NH3+])C(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000517041956 1072827386 /nfs/dbraw/zinc/82/73/86/1072827386.db2.gz GRQCRJZAWVZLHX-UHFFFAOYSA-N 1 0 378.473 -0.179 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Oc1ccccc1Cl ZINC000517042386 1072828328 /nfs/dbraw/zinc/82/83/28/1072828328.db2.gz SVUSVFOTVIRJCS-BZPMIXESSA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Oc1ccccc1Cl ZINC000517042387 1072828548 /nfs/dbraw/zinc/82/85/48/1072828548.db2.gz SVUSVFOTVIRJCS-DYEKYZERSA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Oc1ccccc1Cl ZINC000517042388 1072828219 /nfs/dbraw/zinc/82/82/19/1072828219.db2.gz SVUSVFOTVIRJCS-MBNYWOFBSA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Oc1ccccc1Cl ZINC000517042389 1072828686 /nfs/dbraw/zinc/82/86/86/1072828686.db2.gz SVUSVFOTVIRJCS-YRGRVCCFSA-N 1 0 394.859 -0.006 20 0 GBADRO CSc1ccc(F)cc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517042496 1072828453 /nfs/dbraw/zinc/82/84/53/1072828453.db2.gz WVPANKIPFQLXNW-OLZOCXBDSA-N 1 0 380.445 -0.066 20 0 GBADRO 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C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000517058092 1072830319 /nfs/dbraw/zinc/83/03/19/1072830319.db2.gz ZWNYIDYHEFMYPN-SOUVJXGZSA-N 1 0 388.534 -0.094 20 0 GBADRO CO[C@@H](C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000517063558 530461068 /nfs/dbraw/zinc/46/10/68/530461068.db2.gz OBJZEEBNFICVDK-KGLIPLIRSA-N 1 0 377.511 -0.771 20 0 GBADRO CO[C@H](C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000517063559 530460916 /nfs/dbraw/zinc/46/09/16/530460916.db2.gz OBJZEEBNFICVDK-ZIAGYGMSSA-N 1 0 377.511 -0.771 20 0 GBADRO C[C@H](CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)S(N)(=O)=O ZINC000517069654 1072830775 /nfs/dbraw/zinc/83/07/75/1072830775.db2.gz RQYLOGZKDJGJAG-GDBMZVCRSA-N 1 0 383.518 -0.049 20 0 GBADRO C[C@@H](CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)S(N)(=O)=O ZINC000517069655 1072830405 /nfs/dbraw/zinc/83/04/05/1072830405.db2.gz RQYLOGZKDJGJAG-GOEBONIOSA-N 1 0 383.518 -0.049 20 0 GBADRO C[C@@H](CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)S(N)(=O)=O 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JKAVMWXYHQHQGA-LSDHHAIUSA-N 1 0 377.507 -0.057 20 0 GBADRO COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1OC ZINC000517076984 1072831110 /nfs/dbraw/zinc/83/11/10/1072831110.db2.gz PLPVBXPQZYTIGS-UHFFFAOYSA-N 1 0 392.456 -0.334 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000517082861 530460858 /nfs/dbraw/zinc/46/08/58/530460858.db2.gz UZGCYNYPKKWMIJ-CYBMUJFWSA-N 1 0 377.511 -0.798 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000517082862 530461032 /nfs/dbraw/zinc/46/10/32/530461032.db2.gz UZGCYNYPKKWMIJ-ZDUSSCGKSA-N 1 0 377.511 -0.798 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000517082989 1072831632 /nfs/dbraw/zinc/83/16/32/1072831632.db2.gz QTSLMXNHLFWCMG-AWEZNQCLSA-N 1 0 382.486 -0.123 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000517082990 1072831290 /nfs/dbraw/zinc/83/12/90/1072831290.db2.gz QTSLMXNHLFWCMG-CQSZACIVSA-N 1 0 382.486 -0.123 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000517085570 1072831877 /nfs/dbraw/zinc/83/18/77/1072831877.db2.gz ZRRFLFQWSLKOPW-AWEZNQCLSA-N 1 0 391.538 -0.455 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000517085572 1072831564 /nfs/dbraw/zinc/83/15/64/1072831564.db2.gz ZRRFLFQWSLKOPW-CQSZACIVSA-N 1 0 391.538 -0.455 20 0 GBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000517091442 1072833551 /nfs/dbraw/zinc/83/35/51/1072833551.db2.gz ABCUYNFGNBITOX-UHFFFAOYSA-N 1 0 390.550 -0.132 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000517093116 1072832989 /nfs/dbraw/zinc/83/29/89/1072832989.db2.gz VYKUGMWYFBSCQY-UHFFFAOYSA-N 1 0 376.465 -0.228 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000517100520 1072832234 /nfs/dbraw/zinc/83/22/34/1072832234.db2.gz VCIRFDADICJVNL-HNNXBMFYSA-N 1 0 395.891 -0.393 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000517100522 1072832629 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ZINC000517175592 1072841249 /nfs/dbraw/zinc/84/12/49/1072841249.db2.gz HHBZMORGZZDXQN-HIFRSBDPSA-N 1 0 380.470 -0.702 20 0 GBADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000517175593 1072841297 /nfs/dbraw/zinc/84/12/97/1072841297.db2.gz HHBZMORGZZDXQN-UKRRQHHQSA-N 1 0 380.470 -0.702 20 0 GBADRO CNS(=O)(=O)c1ccc(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000517175595 1072841404 /nfs/dbraw/zinc/84/14/04/1072841404.db2.gz HHBZMORGZZDXQN-ZFWWWQNUSA-N 1 0 380.470 -0.702 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176729 1072841267 /nfs/dbraw/zinc/84/12/67/1072841267.db2.gz QTABBPGFOVVDIS-GDBMZVCRSA-N 1 0 375.448 -0.282 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176730 1072841458 /nfs/dbraw/zinc/84/14/58/1072841458.db2.gz QTABBPGFOVVDIS-GOEBONIOSA-N 1 0 375.448 -0.282 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccccc4F)CC3)CCN2C1=O ZINC000517176731 1072841311 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[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000517235997 1072850888 /nfs/dbraw/zinc/85/08/88/1072850888.db2.gz FQJMUESPUYGUNZ-PMPSAXMXSA-N 1 0 380.489 -0.283 20 0 GBADRO CCN(C(=O)CN1CC[C@H]([NH3+])C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000517236702 1072850972 /nfs/dbraw/zinc/85/09/72/1072850972.db2.gz HJGZHNINOZELNK-AWEZNQCLSA-N 1 0 386.456 -0.035 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000517236837 1072850518 /nfs/dbraw/zinc/85/05/18/1072850518.db2.gz PTADQGCFOCNZCW-CYBMUJFWSA-N 1 0 396.469 -0.057 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000517236842 1072850397 /nfs/dbraw/zinc/85/03/97/1072850397.db2.gz PTADQGCFOCNZCW-ZDUSSCGKSA-N 1 0 396.469 -0.057 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1OC ZINC000517236916 1072850962 /nfs/dbraw/zinc/85/09/62/1072850962.db2.gz WRXPALDFLYUENI-GFCCVEGCSA-N 1 0 386.474 -0.917 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1OC 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1 0 382.486 -0.023 20 0 GBADRO O=C(CNS(=O)(=O)c1cccnc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000517266130 1072857497 /nfs/dbraw/zinc/85/74/97/1072857497.db2.gz LDDQYARUGGUTTM-CQSZACIVSA-N 1 0 382.486 -0.023 20 0 GBADRO CN(C)CC[N@H+](C)CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000517268062 1072857403 /nfs/dbraw/zinc/85/74/03/1072857403.db2.gz VQJTVCNGITZZDO-UHFFFAOYSA-N 1 0 396.517 -0.159 20 0 GBADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000517269109 1072857243 /nfs/dbraw/zinc/85/72/43/1072857243.db2.gz YBSUFONEQMNWOV-AWEZNQCLSA-N 1 0 395.508 -0.221 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)ccc2oc1=O ZINC000517277127 1072856243 /nfs/dbraw/zinc/85/62/43/1072856243.db2.gz ADDPUZVMVXSZFM-LLVKDONJSA-N 1 0 389.412 -0.572 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)ccc2oc1=O ZINC000517277133 1072855910 /nfs/dbraw/zinc/85/59/10/1072855910.db2.gz ADDPUZVMVXSZFM-NSHDSACASA-N 1 0 389.412 -0.572 20 0 GBADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3ccc4nncn4n3)CC2)C[C@@H](C)O1 ZINC000517321851 1072859072 /nfs/dbraw/zinc/85/90/72/1072859072.db2.gz KWMICYPCLOHMFD-OAGGEKHMSA-N 1 0 375.477 -0.284 20 0 GBADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3ccc4nncn4n3)CC2)C[C@H](C)O1 ZINC000517321855 1072859567 /nfs/dbraw/zinc/85/95/67/1072859567.db2.gz KWMICYPCLOHMFD-XHSDSOJGSA-N 1 0 375.477 -0.284 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000517331527 530461473 /nfs/dbraw/zinc/46/14/73/530461473.db2.gz KKAKEYOTEKACKE-LLVKDONJSA-N 1 0 375.520 -0.169 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000517331530 530461409 /nfs/dbraw/zinc/46/14/09/530461409.db2.gz KKAKEYOTEKACKE-NSHDSACASA-N 1 0 375.520 -0.169 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517342717 1072858926 /nfs/dbraw/zinc/85/89/26/1072858926.db2.gz OHCQFHCMGXUVAG-BRWVUGGUSA-N 1 0 391.516 -0.743 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000517355591 1072861071 /nfs/dbraw/zinc/86/10/71/1072861071.db2.gz RWFGGMCZLVFHJE-CYBMUJFWSA-N 1 0 386.522 -0.851 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn1C ZINC000517355592 1072861831 /nfs/dbraw/zinc/86/18/31/1072861831.db2.gz RWFGGMCZLVFHJE-ZDUSSCGKSA-N 1 0 386.522 -0.851 20 0 GBADRO [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 ZINC000517358748 1072860593 /nfs/dbraw/zinc/86/05/93/1072860593.db2.gz QODISYFQUKERRM-UHFFFAOYSA-N 1 0 386.412 -0.046 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000517366603 1072861638 /nfs/dbraw/zinc/86/16/38/1072861638.db2.gz JUZXAXSKVLDCLD-ACJLOTCBSA-N 1 0 381.477 -0.201 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000517366604 1072861415 /nfs/dbraw/zinc/86/14/15/1072861415.db2.gz JUZXAXSKVLDCLD-FZKQIMNGSA-N 1 0 381.477 -0.201 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000517366605 1072861589 /nfs/dbraw/zinc/86/15/89/1072861589.db2.gz JUZXAXSKVLDCLD-SCLBCKFNSA-N 1 0 381.477 -0.201 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000517366606 1072861208 /nfs/dbraw/zinc/86/12/08/1072861208.db2.gz JUZXAXSKVLDCLD-UGSOOPFHSA-N 1 0 381.477 -0.201 20 0 GBADRO [NH3+]CC(=O)NCC(=O)NCCOc1ccc(I)cc1 ZINC000517367753 530461418 /nfs/dbraw/zinc/46/14/18/530461418.db2.gz RNMXUBPKKSVDJU-UHFFFAOYSA-N 1 0 377.182 -0.139 20 0 GBADRO CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517368266 530461431 /nfs/dbraw/zinc/46/14/31/530461431.db2.gz RXOSQLJWOBNCLI-GJZGRUSLSA-N 1 0 376.523 -0.174 20 0 GBADRO CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517368267 530461348 /nfs/dbraw/zinc/46/13/48/530461348.db2.gz RXOSQLJWOBNCLI-HUUCEWRRSA-N 1 0 376.523 -0.174 20 0 GBADRO COCC[C@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000517372040 530461550 /nfs/dbraw/zinc/46/15/50/530461550.db2.gz RCFLZYPKHMTCHY-CYBMUJFWSA-N 1 0 394.515 -0.302 20 0 GBADRO COCC[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000517372041 530461426 /nfs/dbraw/zinc/46/14/26/530461426.db2.gz RCFLZYPKHMTCHY-ZDUSSCGKSA-N 1 0 394.515 -0.302 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000517382256 1072861138 /nfs/dbraw/zinc/86/11/38/1072861138.db2.gz UEFAEDWHBVMQNE-UHFFFAOYSA-N 1 0 398.529 -0.132 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000517384724 1072861476 /nfs/dbraw/zinc/86/14/76/1072861476.db2.gz LDXDPSMAONVNAU-UHFFFAOYSA-N 1 0 397.497 -0.197 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000517393344 530461591 /nfs/dbraw/zinc/46/15/91/530461591.db2.gz LBGSDMDOOAQESE-CYBMUJFWSA-N 1 0 377.511 -0.703 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000517393345 530461502 /nfs/dbraw/zinc/46/15/02/530461502.db2.gz LBGSDMDOOAQESE-ZDUSSCGKSA-N 1 0 377.511 -0.703 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000517399656 1072862575 /nfs/dbraw/zinc/86/25/75/1072862575.db2.gz OSZRTUDIJBFTPC-HNNXBMFYSA-N 1 0 387.440 -0.192 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000517399657 1072862984 /nfs/dbraw/zinc/86/29/84/1072862984.db2.gz OSZRTUDIJBFTPC-OAHLLOKOSA-N 1 0 387.440 -0.192 20 0 GBADRO CC1CC[NH+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000517407475 1072863609 /nfs/dbraw/zinc/86/36/09/1072863609.db2.gz GQHKFOKPHWBLIV-UHFFFAOYSA-N 1 0 393.488 -0.279 20 0 GBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000517408199 1072863752 /nfs/dbraw/zinc/86/37/52/1072863752.db2.gz HHHHONTXDIDSIG-CABCVRRESA-N 1 0 388.534 -0.094 20 0 GBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000517408200 1072864071 /nfs/dbraw/zinc/86/40/71/1072864071.db2.gz HHHHONTXDIDSIG-GJZGRUSLSA-N 1 0 388.534 -0.094 20 0 GBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000517408201 1072864118 /nfs/dbraw/zinc/86/41/18/1072864118.db2.gz HHHHONTXDIDSIG-HUUCEWRRSA-N 1 0 388.534 -0.094 20 0 GBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000517408202 1072863340 /nfs/dbraw/zinc/86/33/40/1072863340.db2.gz HHHHONTXDIDSIG-LSDHHAIUSA-N 1 0 388.534 -0.094 20 0 GBADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000517413443 1072864157 /nfs/dbraw/zinc/86/41/57/1072864157.db2.gz BTDHCMBZAJZRKW-UHFFFAOYSA-N 1 0 388.490 -0.748 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000517417719 1072863579 /nfs/dbraw/zinc/86/35/79/1072863579.db2.gz AIZAYKOEMFASJK-UHFFFAOYSA-N 1 0 396.536 -0.608 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)n(C)n1 ZINC000517421581 1072863683 /nfs/dbraw/zinc/86/36/83/1072863683.db2.gz OTFMXVLDJPSJRG-CABCVRRESA-N 1 0 388.472 -0.355 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)C2=O)n(C)n1 ZINC000517421582 1072863407 /nfs/dbraw/zinc/86/34/07/1072863407.db2.gz OTFMXVLDJPSJRG-GJZGRUSLSA-N 1 0 388.472 -0.355 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)n(C)n1 ZINC000517421583 1072863870 /nfs/dbraw/zinc/86/38/70/1072863870.db2.gz OTFMXVLDJPSJRG-HUUCEWRRSA-N 1 0 388.472 -0.355 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)C2=O)n(C)n1 ZINC000517421584 1072863271 /nfs/dbraw/zinc/86/32/71/1072863271.db2.gz OTFMXVLDJPSJRG-LSDHHAIUSA-N 1 0 388.472 -0.355 20 0 GBADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000517426158 1072864720 /nfs/dbraw/zinc/86/47/20/1072864720.db2.gz MIYGCHJLTRQKDR-GASCZTMLSA-N 1 0 378.481 -0.210 20 0 GBADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000517426159 1072864683 /nfs/dbraw/zinc/86/46/83/1072864683.db2.gz MIYGCHJLTRQKDR-GJZGRUSLSA-N 1 0 378.481 -0.210 20 0 GBADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000517426160 1072864749 /nfs/dbraw/zinc/86/47/49/1072864749.db2.gz MIYGCHJLTRQKDR-HUUCEWRRSA-N 1 0 378.481 -0.210 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCn3cc(CO)nn3)cn2)CC1 ZINC000517449627 1072864884 /nfs/dbraw/zinc/86/48/84/1072864884.db2.gz BRGOMUVXJUSBIX-UHFFFAOYSA-N 1 0 388.476 -0.193 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(CCC(=O)NC3CCCC3)CC2)CC1 ZINC000517520888 1072867166 /nfs/dbraw/zinc/86/71/66/1072867166.db2.gz PKRGEOWPAGIIHB-UHFFFAOYSA-N 1 0 387.550 -0.455 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000517534410 1072868747 /nfs/dbraw/zinc/86/87/47/1072868747.db2.gz ZNXWJXRHWJAJOR-UHFFFAOYSA-N 1 0 387.484 -0.060 20 0 GBADRO COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000517536582 1072867810 /nfs/dbraw/zinc/86/78/10/1072867810.db2.gz GHSPWMKPEBMHBE-KRWDZBQOSA-N 1 0 390.484 -0.302 20 0 GBADRO COc1cc(C[NH2+]CCN2CCCS2(=O)=O)cc(OC)c1OCC(N)=O ZINC000517546950 1072869657 /nfs/dbraw/zinc/86/96/57/1072869657.db2.gz ABIHXIFDNWVNFL-UHFFFAOYSA-N 1 0 387.458 -0.307 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000517554002 1072868702 /nfs/dbraw/zinc/86/87/02/1072868702.db2.gz MTTRLIAJTAQNDZ-INIZCTEOSA-N 1 0 396.513 -0.096 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000517554003 1072869115 /nfs/dbraw/zinc/86/91/15/1072869115.db2.gz MTTRLIAJTAQNDZ-MRXNPFEDSA-N 1 0 396.513 -0.096 20 0 GBADRO CCCCCC(=O)NC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000517554115 1072868500 /nfs/dbraw/zinc/86/85/00/1072868500.db2.gz PJEPRNXLVZMTBU-INIZCTEOSA-N 1 0 381.521 -0.225 20 0 GBADRO CCCCCC(=O)NC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000517554119 1072868485 /nfs/dbraw/zinc/86/84/85/1072868485.db2.gz PJEPRNXLVZMTBU-MRXNPFEDSA-N 1 0 381.521 -0.225 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)N2CC[NH2+]CC2)cc1C ZINC000517555485 1072869073 /nfs/dbraw/zinc/86/90/73/1072869073.db2.gz BZCIODFWVILMEI-UHFFFAOYSA-N 1 0 382.486 -0.528 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C1 ZINC000517560877 1072869309 /nfs/dbraw/zinc/86/93/09/1072869309.db2.gz BBLGAGDIDAFVHI-HOTGVXAUSA-N 1 0 391.520 -0.111 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C1 ZINC000517560878 1072869875 /nfs/dbraw/zinc/86/98/75/1072869875.db2.gz BBLGAGDIDAFVHI-HZPDHXFCSA-N 1 0 391.520 -0.111 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C1 ZINC000517560879 1072869385 /nfs/dbraw/zinc/86/93/85/1072869385.db2.gz BBLGAGDIDAFVHI-IYBDPMFKSA-N 1 0 391.520 -0.111 20 0 GBADRO CC(=O)NCCN(C)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517564897 1072871189 /nfs/dbraw/zinc/87/11/89/1072871189.db2.gz LDHQKNBUMYWODY-GOSISDBHSA-N 1 0 389.500 -0.314 20 0 GBADRO CC(=O)NCCN(C)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517564898 1072871169 /nfs/dbraw/zinc/87/11/69/1072871169.db2.gz LDHQKNBUMYWODY-SFHVURJKSA-N 1 0 389.500 -0.314 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000517567398 1072871204 /nfs/dbraw/zinc/87/12/04/1072871204.db2.gz LPNTYEWLTJPHMS-DLBZAZTESA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000517567400 1072871863 /nfs/dbraw/zinc/87/18/63/1072871863.db2.gz LPNTYEWLTJPHMS-IAGOWNOFSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000517567403 1072871359 /nfs/dbraw/zinc/87/13/59/1072871359.db2.gz LPNTYEWLTJPHMS-IRXDYDNUSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000517567404 1072871405 /nfs/dbraw/zinc/87/14/05/1072871405.db2.gz LPNTYEWLTJPHMS-SJORKVTESA-N 1 0 392.500 -0.221 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000517576033 1072870801 /nfs/dbraw/zinc/87/08/01/1072870801.db2.gz IDVBZVGGSVRGAR-UHFFFAOYSA-N 1 0 389.522 -0.736 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)(N2CCOCC2)C1 ZINC000517578450 1072870542 /nfs/dbraw/zinc/87/05/42/1072870542.db2.gz YSJDYZUQWLGNLZ-UHFFFAOYSA-N 1 0 396.532 -0.040 20 0 GBADRO C[C@@H](CCNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)[NH+]1CCCCC1 ZINC000517579674 1072872673 /nfs/dbraw/zinc/87/26/73/1072872673.db2.gz XIDMJTPPCUZJFX-HNNXBMFYSA-N 1 0 381.521 -0.225 20 0 GBADRO C[C@H](CCNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)[NH+]1CCCCC1 ZINC000517579675 1072872765 /nfs/dbraw/zinc/87/27/65/1072872765.db2.gz XIDMJTPPCUZJFX-OAHLLOKOSA-N 1 0 381.521 -0.225 20 0 GBADRO C[N@@H+]1CCC[C@H](CN[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582601 1072872427 /nfs/dbraw/zinc/87/24/27/1072872427.db2.gz KMUFLQLHISMMNO-DOMZBBRYSA-N 1 0 380.470 -0.103 20 0 GBADRO C[N@@H+]1CCC[C@H](CN[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582604 1072872692 /nfs/dbraw/zinc/87/26/92/1072872692.db2.gz KMUFLQLHISMMNO-IUODEOHRSA-N 1 0 380.470 -0.103 20 0 GBADRO C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582606 1072872306 /nfs/dbraw/zinc/87/23/06/1072872306.db2.gz KMUFLQLHISMMNO-SWLSCSKDSA-N 1 0 380.470 -0.103 20 0 GBADRO C[N@@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000517582607 1072872446 /nfs/dbraw/zinc/87/24/46/1072872446.db2.gz KMUFLQLHISMMNO-WFASDCNBSA-N 1 0 380.470 -0.103 20 0 GBADRO COc1c(F)cc(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1S(N)(=O)=O ZINC000517584221 530461978 /nfs/dbraw/zinc/46/19/78/530461978.db2.gz LMELAOYQGLCAAT-RYUDHWBXSA-N 1 0 375.422 -0.843 20 0 GBADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000517587771 1072872529 /nfs/dbraw/zinc/87/25/29/1072872529.db2.gz GDSNKSHMDXIQAJ-FSDCSDTHSA-N 1 0 386.452 -0.315 20 0 GBADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000517587774 1072873007 /nfs/dbraw/zinc/87/30/07/1072873007.db2.gz GDSNKSHMDXIQAJ-HDEZJCGLSA-N 1 0 386.452 -0.315 20 0 GBADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000517587775 1072873020 /nfs/dbraw/zinc/87/30/20/1072873020.db2.gz GDSNKSHMDXIQAJ-NXNVCVFFSA-N 1 0 386.452 -0.315 20 0 GBADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000517587776 1072872471 /nfs/dbraw/zinc/87/24/71/1072872471.db2.gz GDSNKSHMDXIQAJ-OTRWWLKZSA-N 1 0 386.452 -0.315 20 0 GBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000517588920 530461936 /nfs/dbraw/zinc/46/19/36/530461936.db2.gz UUDHLJJENYZGFH-HNNXBMFYSA-N 1 0 397.563 -0.576 20 0 GBADRO CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000517588922 530461822 /nfs/dbraw/zinc/46/18/22/530461822.db2.gz UUDHLJJENYZGFH-OAHLLOKOSA-N 1 0 397.563 -0.576 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)c2)nn1 ZINC000517589285 1072872901 /nfs/dbraw/zinc/87/29/01/1072872901.db2.gz YIZFFSSBHBPYDT-INIZCTEOSA-N 1 0 399.455 -0.123 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)c2)nn1 ZINC000517589287 1072872817 /nfs/dbraw/zinc/87/28/17/1072872817.db2.gz YIZFFSSBHBPYDT-MRXNPFEDSA-N 1 0 399.455 -0.123 20 0 GBADRO C[N@H+](CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000517589926 1072873076 /nfs/dbraw/zinc/87/30/76/1072873076.db2.gz QIKOVWXQRPVAKG-UHFFFAOYSA-N 1 0 386.460 -0.341 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000517623213 1072875190 /nfs/dbraw/zinc/87/51/90/1072875190.db2.gz OWFWENARUNEJKI-JYYAWHABSA-N 1 0 383.489 -0.400 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000517623214 1072874762 /nfs/dbraw/zinc/87/47/62/1072874762.db2.gz OWFWENARUNEJKI-LJIGWXMPSA-N 1 0 383.489 -0.400 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000517623215 1072876150 /nfs/dbraw/zinc/87/61/50/1072876150.db2.gz OWFWENARUNEJKI-QBYUYEEZSA-N 1 0 383.489 -0.400 20 0 GBADRO 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XOKQYFSKFPJLPB-CQSZACIVSA-N 1 0 379.527 -0.475 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCC[NH+](C)C)s1 ZINC000518609535 530099288 /nfs/dbraw/zinc/09/92/88/530099288.db2.gz IVPOWJLFCIJNIK-UHFFFAOYSA-N 1 0 390.531 -0.139 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000518637214 1072947960 /nfs/dbraw/zinc/94/79/60/1072947960.db2.gz DLIRCQLRIAVNDP-UHFFFAOYSA-N 1 0 397.520 -0.133 20 0 GBADRO CN(CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736810 1072952937 /nfs/dbraw/zinc/95/29/37/1072952937.db2.gz YVTNIUQZGORRPD-IXDOHACOSA-N 1 0 375.473 -0.431 20 0 GBADRO CN(CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000518736811 1072953027 /nfs/dbraw/zinc/95/30/27/1072953027.db2.gz YVTNIUQZGORRPD-YESZJQIVSA-N 1 0 375.473 -0.431 20 0 GBADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000518738340 1072952664 /nfs/dbraw/zinc/95/26/64/1072952664.db2.gz FLWASONLIFLRBA-DZGCQCFKSA-N 1 0 394.497 -0.091 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000518738341 1072953057 /nfs/dbraw/zinc/95/30/57/1072953057.db2.gz FLWASONLIFLRBA-HIFRSBDPSA-N 1 0 394.497 -0.091 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000518738342 1072952761 /nfs/dbraw/zinc/95/27/61/1072952761.db2.gz FLWASONLIFLRBA-UKRRQHHQSA-N 1 0 394.497 -0.091 20 0 GBADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000518738343 1072952701 /nfs/dbraw/zinc/95/27/01/1072952701.db2.gz FLWASONLIFLRBA-ZFWWWQNUSA-N 1 0 394.497 -0.091 20 0 GBADRO Cn1c(C(=O)NCCCC[NH+]2CCN(C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518749381 1072953641 /nfs/dbraw/zinc/95/36/41/1072953641.db2.gz MWJLFCYKORBJHN-UHFFFAOYSA-N 1 0 390.488 -0.667 20 0 GBADRO COC[C@@]1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CCC[NH2+]1 ZINC000518756626 1072953976 /nfs/dbraw/zinc/95/39/76/1072953976.db2.gz VYXCHHHNWJNEHF-INIZCTEOSA-N 1 0 392.441 -0.404 20 0 GBADRO 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C[NH+](C)CC(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000518766663 1072955290 /nfs/dbraw/zinc/95/52/90/1072955290.db2.gz AJDZKWIASCBDGS-GJZGRUSLSA-N 1 0 378.473 -0.216 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000518766664 1072955116 /nfs/dbraw/zinc/95/51/16/1072955116.db2.gz AJDZKWIASCBDGS-HUUCEWRRSA-N 1 0 378.473 -0.216 20 0 GBADRO O=C(COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1)NC1CC1 ZINC000518769304 1072956808 /nfs/dbraw/zinc/95/68/08/1072956808.db2.gz MKJCMQKSDZWNMM-UHFFFAOYSA-N 1 0 396.469 -0.946 20 0 GBADRO [NH3+]C1(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC000518769420 530134872 /nfs/dbraw/zinc/13/48/72/530134872.db2.gz UVZDXMFYHFXRAZ-UHFFFAOYSA-N 1 0 389.499 -0.133 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000518770385 530134839 /nfs/dbraw/zinc/13/48/39/530134839.db2.gz RLRORQMYOCAUAE-CYBMUJFWSA-N 1 0 383.536 -0.715 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000518770386 530134772 /nfs/dbraw/zinc/13/47/72/530134772.db2.gz RLRORQMYOCAUAE-ZDUSSCGKSA-N 1 0 383.536 -0.715 20 0 GBADRO COCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000518772265 1072955918 /nfs/dbraw/zinc/95/59/18/1072955918.db2.gz GUZIVRPVIGIKEJ-UHFFFAOYSA-N 1 0 387.458 -0.522 20 0 GBADRO COCC1(CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC[NH2+]CC1 ZINC000518776427 1072955732 /nfs/dbraw/zinc/95/57/32/1072955732.db2.gz BEWMHKHGBHMYGT-UHFFFAOYSA-N 1 0 389.456 -0.313 20 0 GBADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000518782140 1072957277 /nfs/dbraw/zinc/95/72/77/1072957277.db2.gz LCSWCDJVGKSRHO-CYBMUJFWSA-N 1 0 390.550 -0.133 20 0 GBADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000518782144 1072957586 /nfs/dbraw/zinc/95/75/86/1072957586.db2.gz LCSWCDJVGKSRHO-ZDUSSCGKSA-N 1 0 390.550 -0.133 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000518783832 1072957624 /nfs/dbraw/zinc/95/76/24/1072957624.db2.gz ALFPEJUNPJSYDI-UHFFFAOYSA-N 1 0 386.460 -0.640 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796983 1072959077 /nfs/dbraw/zinc/95/90/77/1072959077.db2.gz GYTJTPFQJPAXHA-MSOLQXFVSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796984 1072958909 /nfs/dbraw/zinc/95/89/09/1072958909.db2.gz GYTJTPFQJPAXHA-QZTJIDSGSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796985 1072959248 /nfs/dbraw/zinc/95/92/48/1072959248.db2.gz GYTJTPFQJPAXHA-ROUUACIJSA-N 1 0 399.495 -0.114 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000518796986 1073607194 /nfs/dbraw/zinc/60/71/94/1073607194.db2.gz GYTJTPFQJPAXHA-ZWKOTPCHSA-N 1 0 399.495 -0.114 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000518797802 1072959228 /nfs/dbraw/zinc/95/92/28/1072959228.db2.gz PHEJSDYDVHBCJQ-INIZCTEOSA-N 1 0 381.521 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CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000518805056 1072958551 /nfs/dbraw/zinc/95/85/51/1072958551.db2.gz ZQUSSEOYBRNCKD-UHFFFAOYSA-N 1 0 396.536 -0.608 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000518805572 1072958427 /nfs/dbraw/zinc/95/84/27/1072958427.db2.gz KABFRONRLICMMI-UHFFFAOYSA-N 1 0 391.538 -0.442 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000518810082 1072960259 /nfs/dbraw/zinc/96/02/59/1072960259.db2.gz SKKBMVQZWKHJHW-INIZCTEOSA-N 1 0 376.457 -0.138 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000518810083 1072960273 /nfs/dbraw/zinc/96/02/73/1072960273.db2.gz SKKBMVQZWKHJHW-MRXNPFEDSA-N 1 0 376.457 -0.138 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](C)C1 ZINC000518824798 1073179082 /nfs/dbraw/zinc/17/90/82/1073179082.db2.gz OPKGBKXYVQZDCO-SPYBWZPUSA-N 1 0 397.472 -0.464 20 0 GBADRO COc1cc(C(=O)NCC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc(OC)c1OC ZINC000518890627 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VDPAHJYVWQUJCM-QGZVFWFLSA-N 1 0 381.521 -0.937 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000518926173 1072965923 /nfs/dbraw/zinc/96/59/23/1072965923.db2.gz HQWBIKACZPFUKD-UHFFFAOYSA-N 1 0 391.516 -0.550 20 0 GBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000518936029 1072965893 /nfs/dbraw/zinc/96/58/93/1072965893.db2.gz QISYSJYCTNEMRD-UHFFFAOYSA-N 1 0 398.485 -0.919 20 0 GBADRO O=C(CNC(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12)N1CC[NH2+]CC1 ZINC000518942781 1072966563 /nfs/dbraw/zinc/96/65/63/1072966563.db2.gz SQAAQBFFAQTITJ-UHFFFAOYSA-N 1 0 375.404 -0.486 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000518947181 1072969188 /nfs/dbraw/zinc/96/91/88/1072969188.db2.gz POFRQRNYFZGQNG-ARFHVFGLSA-N 1 0 379.505 -0.887 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000518947182 1072968949 /nfs/dbraw/zinc/96/89/49/1072968949.db2.gz POFRQRNYFZGQNG-BZUAXINKSA-N 1 0 379.505 -0.887 20 0 GBADRO 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COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)C1 ZINC000518950465 1072967415 /nfs/dbraw/zinc/96/74/15/1072967415.db2.gz QDQFPTNRFCLSAW-ZIAGYGMSSA-N 1 0 394.476 -0.322 20 0 GBADRO COCCN(C)S(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518954034 1072968537 /nfs/dbraw/zinc/96/85/37/1072968537.db2.gz FKFYISWRUDHCGN-UHFFFAOYSA-N 1 0 386.522 -0.209 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2F)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000518960505 1072969346 /nfs/dbraw/zinc/96/93/46/1072969346.db2.gz AEMFGFUGWCLGMH-INIZCTEOSA-N 1 0 389.475 -0.020 20 0 GBADRO O=C(C(=O)N1CCN(c2ccccc2F)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000518960506 1072969000 /nfs/dbraw/zinc/96/90/00/1072969000.db2.gz AEMFGFUGWCLGMH-MRXNPFEDSA-N 1 0 389.475 -0.020 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C[C@H]1[NH3+] ZINC000518960850 1072968964 /nfs/dbraw/zinc/96/89/64/1072968964.db2.gz XMHKORLIDDOHAP-GXTWGEPZSA-N 1 0 388.424 -0.495 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C[C@@H]1[NH3+] ZINC000518960854 1072968991 /nfs/dbraw/zinc/96/89/91/1072968991.db2.gz XMHKORLIDDOHAP-JSGCOSHPSA-N 1 0 388.424 -0.495 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C[C@@H]1[NH3+] ZINC000518960856 1072969322 /nfs/dbraw/zinc/96/93/22/1072969322.db2.gz XMHKORLIDDOHAP-OCCSQVGLSA-N 1 0 388.424 -0.495 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C[C@H]1[NH3+] ZINC000518960858 1072968880 /nfs/dbraw/zinc/96/88/80/1072968880.db2.gz XMHKORLIDDOHAP-TZMCWYRMSA-N 1 0 388.424 -0.495 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000518963932 530285134 /nfs/dbraw/zinc/28/51/34/530285134.db2.gz TTXGXYDGAMYAHP-GFCCVEGCSA-N 1 0 375.472 -0.513 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000518963933 530285197 /nfs/dbraw/zinc/28/51/97/530285197.db2.gz TTXGXYDGAMYAHP-LBPRGKRZSA-N 1 0 375.472 -0.513 20 0 GBADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000518969659 1072969725 /nfs/dbraw/zinc/96/97/25/1072969725.db2.gz SVFKTMQRNSPWLE-INIZCTEOSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000518969664 1072970201 /nfs/dbraw/zinc/97/02/01/1072970201.db2.gz SVFKTMQRNSPWLE-MRXNPFEDSA-N 1 0 379.505 -0.599 20 0 GBADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000518980021 1073316582 /nfs/dbraw/zinc/31/65/82/1073316582.db2.gz ZNFUGJFUNJKLFQ-KBPBESRZSA-N 1 0 395.481 -0.157 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000518980022 1072972011 /nfs/dbraw/zinc/97/20/11/1072972011.db2.gz ZNFUGJFUNJKLFQ-KGLIPLIRSA-N 1 0 395.481 -0.157 20 0 GBADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000518980023 1072971657 /nfs/dbraw/zinc/97/16/57/1072971657.db2.gz ZNFUGJFUNJKLFQ-UONOGXRCSA-N 1 0 395.481 -0.157 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000518980024 1072971946 /nfs/dbraw/zinc/97/19/46/1072971946.db2.gz ZNFUGJFUNJKLFQ-ZIAGYGMSSA-N 1 0 395.481 -0.157 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000518980902 1072970833 /nfs/dbraw/zinc/97/08/33/1072970833.db2.gz UOYLNZJRIZEYOA-INIZCTEOSA-N 1 0 394.497 -0.326 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000518980903 1072971844 /nfs/dbraw/zinc/97/18/44/1072971844.db2.gz UOYLNZJRIZEYOA-MRXNPFEDSA-N 1 0 394.497 -0.326 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC[N@H+](C)C1 ZINC000518983402 1072972069 /nfs/dbraw/zinc/97/20/69/1072972069.db2.gz IDQYTYJZDDECNC-GFCCVEGCSA-N 1 0 387.433 -0.333 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC[N@H+](C)C1 ZINC000518983403 1072971754 /nfs/dbraw/zinc/97/17/54/1072971754.db2.gz IDQYTYJZDDECNC-LBPRGKRZSA-N 1 0 387.433 -0.333 20 0 GBADRO O=C(CN1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1)N1CCOCC1 ZINC000518983798 1072971669 /nfs/dbraw/zinc/97/16/69/1072971669.db2.gz SWALYYQDMRFNLR-NRFANRHFSA-N 1 0 386.496 -0.079 20 0 GBADRO O=C(CN1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1)N1CCOCC1 ZINC000518983799 1072971679 /nfs/dbraw/zinc/97/16/79/1072971679.db2.gz SWALYYQDMRFNLR-OAQYLSRUSA-N 1 0 386.496 -0.079 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000518986706 1072971775 /nfs/dbraw/zinc/97/17/75/1072971775.db2.gz AFKOEFLFDBSMKY-UHFFFAOYSA-N 1 0 388.472 -0.055 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C1 ZINC000519001362 1072971950 /nfs/dbraw/zinc/97/19/50/1072971950.db2.gz YBTIIXAGPHWTNS-KSZLIROESA-N 1 0 375.469 -0.427 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C1 ZINC000519001363 1072972544 /nfs/dbraw/zinc/97/25/44/1072972544.db2.gz YBTIIXAGPHWTNS-KURKYZTESA-N 1 0 375.469 -0.427 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)C1 ZINC000519001364 1072972815 /nfs/dbraw/zinc/97/28/15/1072972815.db2.gz YBTIIXAGPHWTNS-KZNAEPCWSA-N 1 0 375.469 -0.427 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)C1 ZINC000519001365 1072972460 /nfs/dbraw/zinc/97/24/60/1072972460.db2.gz YBTIIXAGPHWTNS-RCCFBDPRSA-N 1 0 375.469 -0.427 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000519001977 530285762 /nfs/dbraw/zinc/28/57/62/530285762.db2.gz OJICPIJNBQQCBK-QMMMGPOBSA-N 1 0 378.380 -0.316 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)OC)[C@@H]2C)CC1 ZINC000519002130 1072972469 /nfs/dbraw/zinc/97/24/69/1072972469.db2.gz UCDSNLLHSWHHMG-DZGCQCFKSA-N 1 0 396.488 -0.497 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)OC)[C@H]2C)CC1 ZINC000519002131 1072972559 /nfs/dbraw/zinc/97/25/59/1072972559.db2.gz UCDSNLLHSWHHMG-HIFRSBDPSA-N 1 0 396.488 -0.497 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)OC)[C@H]2C)CC1 ZINC000519002132 1072972565 /nfs/dbraw/zinc/97/25/65/1072972565.db2.gz UCDSNLLHSWHHMG-UKRRQHHQSA-N 1 0 396.488 -0.497 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)OC)[C@@H]2C)CC1 ZINC000519002133 1072972837 /nfs/dbraw/zinc/97/28/37/1072972837.db2.gz UCDSNLLHSWHHMG-ZFWWWQNUSA-N 1 0 396.488 -0.497 20 0 GBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000519007027 1072973298 /nfs/dbraw/zinc/97/32/98/1072973298.db2.gz BJPBEYUJTXMBQA-UHFFFAOYSA-N 1 0 383.489 -0.129 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)CN1CCOCC1 ZINC000519007487 1072973309 /nfs/dbraw/zinc/97/33/09/1072973309.db2.gz VACAFWVZHRYRAE-INIZCTEOSA-N 1 0 383.537 -0.787 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)CN1CCOCC1 ZINC000519007488 1072973369 /nfs/dbraw/zinc/97/33/69/1072973369.db2.gz VACAFWVZHRYRAE-MRXNPFEDSA-N 1 0 383.537 -0.787 20 0 GBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)C2=O)cn1 ZINC000519013042 1072973395 /nfs/dbraw/zinc/97/33/95/1072973395.db2.gz KNSKCZFUSFILPB-XUJLQICISA-N 1 0 390.488 -0.122 20 0 GBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)C2=O)cn1 ZINC000519013043 1072973451 /nfs/dbraw/zinc/97/34/51/1072973451.db2.gz KNSKCZFUSFILPB-ZBCRRDGASA-N 1 0 390.488 -0.122 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000519021987 1072974288 /nfs/dbraw/zinc/97/42/88/1072974288.db2.gz OYSUFMOUOFTADA-UHFFFAOYSA-N 1 0 394.520 -0.854 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000519024211 1072975291 /nfs/dbraw/zinc/97/52/91/1072975291.db2.gz GHQVJDUOENTPHS-HNNXBMFYSA-N 1 0 393.554 -0.085 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000519024212 1072974997 /nfs/dbraw/zinc/97/49/97/1072974997.db2.gz GHQVJDUOENTPHS-OAHLLOKOSA-N 1 0 393.554 -0.085 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)C2)CC1 ZINC000519029568 1072975443 /nfs/dbraw/zinc/97/54/43/1072975443.db2.gz HIQFJTOWNCOYKK-BZUAXINKSA-N 1 0 379.505 -0.744 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]3C(=O)NC)C2)CC1 ZINC000519029572 1072975346 /nfs/dbraw/zinc/97/53/46/1072975346.db2.gz HIQFJTOWNCOYKK-OAGGEKHMSA-N 1 0 379.505 -0.744 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)C2)CC1 ZINC000519029573 1072975019 /nfs/dbraw/zinc/97/50/19/1072975019.db2.gz HIQFJTOWNCOYKK-OWCLPIDISA-N 1 0 379.505 -0.744 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)C2)CC1 ZINC000519029575 1072975177 /nfs/dbraw/zinc/97/51/77/1072975177.db2.gz HIQFJTOWNCOYKK-PMPSAXMXSA-N 1 0 379.505 -0.744 20 0 GBADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000519038946 1072976140 /nfs/dbraw/zinc/97/61/40/1072976140.db2.gz SYIPFYYBIOVSSM-NSHDSACASA-N 1 0 390.444 -0.584 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000519047278 1072975466 /nfs/dbraw/zinc/97/54/66/1072975466.db2.gz HCYBCMAVZQKVTI-INIZCTEOSA-N 1 0 382.505 -0.260 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000519047279 1072976162 /nfs/dbraw/zinc/97/61/62/1072976162.db2.gz HCYBCMAVZQKVTI-MRXNPFEDSA-N 1 0 382.505 -0.260 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000519058884 530285519 /nfs/dbraw/zinc/28/55/19/530285519.db2.gz BJVCJWKPEYVWCZ-UHFFFAOYSA-N 1 0 377.555 -0.015 20 0 GBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000519106522 1072980802 /nfs/dbraw/zinc/98/08/02/1072980802.db2.gz MLOIKJKXLNCEBT-GFCCVEGCSA-N 1 0 377.445 -0.313 20 0 GBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000519106527 1072980680 /nfs/dbraw/zinc/98/06/80/1072980680.db2.gz MLOIKJKXLNCEBT-LBPRGKRZSA-N 1 0 377.445 -0.313 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000519119172 1072982059 /nfs/dbraw/zinc/98/20/59/1072982059.db2.gz FVOAOTZAGAJYRQ-UHFFFAOYSA-N 1 0 385.490 -0.540 20 0 GBADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000519120082 1072981719 /nfs/dbraw/zinc/98/17/19/1072981719.db2.gz OAFFWMXXNBXPOK-HNNXBMFYSA-N 1 0 381.477 -0.911 20 0 GBADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000519120083 1072981632 /nfs/dbraw/zinc/98/16/32/1072981632.db2.gz OAFFWMXXNBXPOK-OAHLLOKOSA-N 1 0 381.477 -0.911 20 0 GBADRO CC(=O)NCC(=O)NCC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000519121893 1072982035 /nfs/dbraw/zinc/98/20/35/1072982035.db2.gz UBLYARHGPOTYEW-UHFFFAOYSA-N 1 0 389.500 -0.485 20 0 GBADRO O=C(CN1CCCNC1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519126543 1072981751 /nfs/dbraw/zinc/98/17/51/1072981751.db2.gz BPUOYHRUJXHCNF-UHFFFAOYSA-N 1 0 375.477 -0.090 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)C1 ZINC000519139118 1072982123 /nfs/dbraw/zinc/98/21/23/1072982123.db2.gz XKYNEAPTVAWJDJ-ILXRZTDVSA-N 1 0 378.473 -0.673 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)C1 ZINC000519139121 1072982841 /nfs/dbraw/zinc/98/28/41/1072982841.db2.gz XKYNEAPTVAWJDJ-KFWWJZLASA-N 1 0 378.473 -0.673 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)C1 ZINC000519139122 1072982831 /nfs/dbraw/zinc/98/28/31/1072982831.db2.gz XKYNEAPTVAWJDJ-QLFBSQMISA-N 1 0 378.473 -0.673 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)C1 ZINC000519139123 1072982607 /nfs/dbraw/zinc/98/26/07/1072982607.db2.gz XKYNEAPTVAWJDJ-RBSFLKMASA-N 1 0 378.473 -0.673 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000519143154 530286113 /nfs/dbraw/zinc/28/61/13/530286113.db2.gz LSSWJDYCZYGDBC-GFCCVEGCSA-N 1 0 375.447 -0.423 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000519143156 530286202 /nfs/dbraw/zinc/28/62/02/530286202.db2.gz LSSWJDYCZYGDBC-LBPRGKRZSA-N 1 0 375.447 -0.423 20 0 GBADRO CCN(CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)S(C)(=O)=O ZINC000519146333 1072983310 /nfs/dbraw/zinc/98/33/10/1072983310.db2.gz OCAZBLWPWCMUNL-AWEZNQCLSA-N 1 0 391.538 -0.455 20 0 GBADRO CCN(CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)S(C)(=O)=O ZINC000519146334 1072983879 /nfs/dbraw/zinc/98/38/79/1072983879.db2.gz OCAZBLWPWCMUNL-CQSZACIVSA-N 1 0 391.538 -0.455 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)nc2n(C)c1=O ZINC000519148605 1072983486 /nfs/dbraw/zinc/98/34/86/1072983486.db2.gz PKKOBOUSJWIDFK-CYBMUJFWSA-N 1 0 389.456 -0.185 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)nc2n(C)c1=O ZINC000519148606 1072983776 /nfs/dbraw/zinc/98/37/76/1072983776.db2.gz PKKOBOUSJWIDFK-ZDUSSCGKSA-N 1 0 389.456 -0.185 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cn1 ZINC000519153293 1072982922 /nfs/dbraw/zinc/98/29/22/1072982922.db2.gz NBLPCBFFOBXLCZ-LSDHHAIUSA-N 1 0 381.433 -0.209 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000519153327 530285902 /nfs/dbraw/zinc/28/59/02/530285902.db2.gz PDRCCNLBPNNVJY-UHFFFAOYSA-N 1 0 376.523 -0.725 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000519164598 1072984700 /nfs/dbraw/zinc/98/47/00/1072984700.db2.gz OGVIODDDSGMSJR-UHFFFAOYSA-N 1 0 389.566 -0.399 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)C(=O)NCC[NH+](C)C ZINC000519180190 1072985547 /nfs/dbraw/zinc/98/55/47/1072985547.db2.gz KVANCRNQFMMNAD-LJPSSGMGSA-N 1 0 395.504 -0.084 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)C(=O)NCC[NH+](C)C ZINC000519180191 1072985202 /nfs/dbraw/zinc/98/52/02/1072985202.db2.gz KVANCRNQFMMNAD-MCIONIFRSA-N 1 0 395.504 -0.084 20 0 GBADRO C[C@@H](NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)C(=O)NCC[NH+](C)C ZINC000519180192 1072985301 /nfs/dbraw/zinc/98/53/01/1072985301.db2.gz KVANCRNQFMMNAD-MGPQQGTHSA-N 1 0 395.504 -0.084 20 0 GBADRO C[C@@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)C(=O)NCC[NH+](C)C ZINC000519180193 1072985574 /nfs/dbraw/zinc/98/55/74/1072985574.db2.gz KVANCRNQFMMNAD-ZYKCCNLVSA-N 1 0 395.504 -0.084 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3Cc4ccccc4NC(=O)C3)C[C@H]2[NH3+])cn1 ZINC000519181665 1072985478 /nfs/dbraw/zinc/98/54/78/1072985478.db2.gz MIQVPCQLQPPINS-LSDHHAIUSA-N 1 0 382.424 -0.346 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182809 1072985468 /nfs/dbraw/zinc/98/54/68/1072985468.db2.gz AOEXBIHDFLJLOF-DLBZAZTESA-N 1 0 396.451 -0.699 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182810 1072985119 /nfs/dbraw/zinc/98/51/19/1072985119.db2.gz AOEXBIHDFLJLOF-IAGOWNOFSA-N 1 0 396.451 -0.699 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182811 1072985500 /nfs/dbraw/zinc/98/55/00/1072985500.db2.gz AOEXBIHDFLJLOF-IRXDYDNUSA-N 1 0 396.451 -0.699 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(-n4cccn4)cc3)CCN2C1=O ZINC000519182812 1072985094 /nfs/dbraw/zinc/98/50/94/1072985094.db2.gz AOEXBIHDFLJLOF-SJORKVTESA-N 1 0 396.451 -0.699 20 0 GBADRO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000519182884 1072985382 /nfs/dbraw/zinc/98/53/82/1072985382.db2.gz BYEILNOHZHYGNI-CVEARBPZSA-N 1 0 396.451 -0.433 20 0 GBADRO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000519182885 1072985107 /nfs/dbraw/zinc/98/51/07/1072985107.db2.gz BYEILNOHZHYGNI-HOTGVXAUSA-N 1 0 396.451 -0.433 20 0 GBADRO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000519182886 1072985227 /nfs/dbraw/zinc/98/52/27/1072985227.db2.gz BYEILNOHZHYGNI-HZPDHXFCSA-N 1 0 396.451 -0.433 20 0 GBADRO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000519182887 1072985418 /nfs/dbraw/zinc/98/54/18/1072985418.db2.gz BYEILNOHZHYGNI-JKSUJKDBSA-N 1 0 396.451 -0.433 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000519183094 1072985177 /nfs/dbraw/zinc/98/51/77/1072985177.db2.gz IZDPZCAJFARWFR-GXTWGEPZSA-N 1 0 380.832 -0.395 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000519183095 1072985250 /nfs/dbraw/zinc/98/52/50/1072985250.db2.gz IZDPZCAJFARWFR-JSGCOSHPSA-N 1 0 380.832 -0.395 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000519183096 1072985531 /nfs/dbraw/zinc/98/55/31/1072985531.db2.gz IZDPZCAJFARWFR-OCCSQVGLSA-N 1 0 380.832 -0.395 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000519183097 1072985029 /nfs/dbraw/zinc/98/50/29/1072985029.db2.gz IZDPZCAJFARWFR-TZMCWYRMSA-N 1 0 380.832 -0.395 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000519185021 1072985955 /nfs/dbraw/zinc/98/59/55/1072985955.db2.gz WCRJOJYKJMQVML-UHFFFAOYSA-N 1 0 378.433 -0.326 20 0 GBADRO CC[NH+]1CCC(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000519201611 1072985920 /nfs/dbraw/zinc/98/59/20/1072985920.db2.gz UDQHHWFIEOMEDP-SCFUHWHPSA-N 1 0 392.460 -0.418 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000519204018 1072986790 /nfs/dbraw/zinc/98/67/90/1072986790.db2.gz 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GAJLINNLVXIRRN-WPRPVWTQSA-N 1 0 396.350 -0.540 20 0 GBADRO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519547973 1073015539 /nfs/dbraw/zinc/01/55/39/1073015539.db2.gz XSKHQOXHLJAQLE-CHWSQXEVSA-N 1 0 389.412 -0.072 20 0 GBADRO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519548119 1073016114 /nfs/dbraw/zinc/01/61/14/1073016114.db2.gz XSKHQOXHLJAQLE-OLZOCXBDSA-N 1 0 389.412 -0.072 20 0 GBADRO O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519548137 1073015560 /nfs/dbraw/zinc/01/55/60/1073015560.db2.gz XSKHQOXHLJAQLE-QWHCGFSZSA-N 1 0 389.412 -0.072 20 0 GBADRO O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519548143 1073015815 /nfs/dbraw/zinc/01/58/15/1073015815.db2.gz XSKHQOXHLJAQLE-STQMWFEESA-N 1 0 389.412 -0.072 20 0 GBADRO CCc1c(C(=O)NCCCN2CC[NH2+]CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000519548343 1073015839 /nfs/dbraw/zinc/01/58/39/1073015839.db2.gz XNQYYCJTOQUOAP-UHFFFAOYSA-N 1 0 388.472 -0.780 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)C1 ZINC000519549387 1073016024 /nfs/dbraw/zinc/01/60/24/1073016024.db2.gz RVVRAPNQCHJTSI-HBUWYVDXSA-N 1 0 379.461 -0.447 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)C1 ZINC000519549455 1073016000 /nfs/dbraw/zinc/01/60/00/1073016000.db2.gz RVVRAPNQCHJTSI-IYOUNJFTSA-N 1 0 379.461 -0.447 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)C1 ZINC000519549458 1073016123 /nfs/dbraw/zinc/01/61/23/1073016123.db2.gz RVVRAPNQCHJTSI-LBTNJELSSA-N 1 0 379.461 -0.447 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)C1 ZINC000519549461 1073016049 /nfs/dbraw/zinc/01/60/49/1073016049.db2.gz RVVRAPNQCHJTSI-PMUMKWKESA-N 1 0 379.461 -0.447 20 0 GBADRO COc1cccc(Cl)c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519550683 1073017529 /nfs/dbraw/zinc/01/75/29/1073017529.db2.gz OPYPXMPZPWTEPX-GWCFXTLKSA-N 1 0 380.832 -0.265 20 0 GBADRO COc1cccc(Cl)c1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519550709 1073017978 /nfs/dbraw/zinc/01/79/78/1073017978.db2.gz OPYPXMPZPWTEPX-GXFFZTMASA-N 1 0 380.832 -0.265 20 0 GBADRO COc1cccc(Cl)c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519550711 1073017601 /nfs/dbraw/zinc/01/76/01/1073017601.db2.gz OPYPXMPZPWTEPX-MFKMUULPSA-N 1 0 380.832 -0.265 20 0 GBADRO COc1cccc(Cl)c1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519550714 1073017567 /nfs/dbraw/zinc/01/75/67/1073017567.db2.gz OPYPXMPZPWTEPX-ZWNOBZJWSA-N 1 0 380.832 -0.265 20 0 GBADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000519552753 1073021789 /nfs/dbraw/zinc/02/17/89/1073021789.db2.gz VVRHVIAZGWJVMJ-KRWDZBQOSA-N 1 0 390.484 -0.214 20 0 GBADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000519552767 1073021667 /nfs/dbraw/zinc/02/16/67/1073021667.db2.gz VVRHVIAZGWJVMJ-QGZVFWFLSA-N 1 0 390.484 -0.214 20 0 GBADRO Cc1csc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)n1 ZINC000519554688 1073021412 /nfs/dbraw/zinc/02/14/12/1073021412.db2.gz UQKFMLDISIIBCY-FRRDWIJNSA-N 1 0 377.470 -0.211 20 0 GBADRO Cc1csc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)n1 ZINC000519554718 1073021818 /nfs/dbraw/zinc/02/18/18/1073021818.db2.gz UQKFMLDISIIBCY-JHJVBQTASA-N 1 0 377.470 -0.211 20 0 GBADRO Cc1csc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)n1 ZINC000519554731 1073021426 /nfs/dbraw/zinc/02/14/26/1073021426.db2.gz UQKFMLDISIIBCY-RWMBFGLXSA-N 1 0 377.470 -0.211 20 0 GBADRO Cc1csc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)n1 ZINC000519554738 1073021448 /nfs/dbraw/zinc/02/14/48/1073021448.db2.gz UQKFMLDISIIBCY-YNEHKIRRSA-N 1 0 377.470 -0.211 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519556313 1073021350 /nfs/dbraw/zinc/02/13/50/1073021350.db2.gz IRQJPGPQDXNSOX-DZGCQCFKSA-N 1 0 380.489 -0.129 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519556328 1073021628 /nfs/dbraw/zinc/02/16/28/1073021628.db2.gz IRQJPGPQDXNSOX-HIFRSBDPSA-N 1 0 380.489 -0.129 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519556332 1073021383 /nfs/dbraw/zinc/02/13/83/1073021383.db2.gz IRQJPGPQDXNSOX-UKRRQHHQSA-N 1 0 380.489 -0.129 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000519556361 1073021766 /nfs/dbraw/zinc/02/17/66/1073021766.db2.gz IRQJPGPQDXNSOX-ZFWWWQNUSA-N 1 0 380.489 -0.129 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000519556935 1073023464 /nfs/dbraw/zinc/02/34/64/1073023464.db2.gz QAVQEPVVXXNVFE-UHFFFAOYSA-N 1 0 395.548 -0.012 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000519561540 530287177 /nfs/dbraw/zinc/28/71/77/530287177.db2.gz ZIOBGCFEBGIBDV-AAEUAGOBSA-N 1 0 386.861 -0.611 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000519561622 530287288 /nfs/dbraw/zinc/28/72/88/530287288.db2.gz ZIOBGCFEBGIBDV-DGCLKSJQSA-N 1 0 386.861 -0.611 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000519561630 530287280 /nfs/dbraw/zinc/28/72/80/530287280.db2.gz ZIOBGCFEBGIBDV-WCQYABFASA-N 1 0 386.861 -0.611 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000519561636 530287351 /nfs/dbraw/zinc/28/73/51/530287351.db2.gz ZIOBGCFEBGIBDV-YPMHNXCESA-N 1 0 386.861 -0.611 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000519561845 1073026907 /nfs/dbraw/zinc/02/69/07/1073026907.db2.gz RMCDVKQVGKMHHA-KRWDZBQOSA-N 1 0 382.505 -0.870 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000519562096 1073027101 /nfs/dbraw/zinc/02/71/01/1073027101.db2.gz RMCDVKQVGKMHHA-QGZVFWFLSA-N 1 0 382.505 -0.870 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CSC2(C)C)cn1 ZINC000519563283 1073026768 /nfs/dbraw/zinc/02/67/68/1073026768.db2.gz XFKCYPRVKFATAK-GFCCVEGCSA-N 1 0 382.490 -0.490 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CSC2(C)C)cn1 ZINC000519563293 1073027019 /nfs/dbraw/zinc/02/70/19/1073027019.db2.gz XFKCYPRVKFATAK-LBPRGKRZSA-N 1 0 382.490 -0.490 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519569004 1073032631 /nfs/dbraw/zinc/03/26/31/1073032631.db2.gz YHCIZVSYQOUNAF-KRWDZBQOSA-N 1 0 382.505 -0.872 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519569009 1073032538 /nfs/dbraw/zinc/03/25/38/1073032538.db2.gz YHCIZVSYQOUNAF-QGZVFWFLSA-N 1 0 382.505 -0.872 20 0 GBADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000519587162 1073043403 /nfs/dbraw/zinc/04/34/03/1073043403.db2.gz VGHRKLROCQVFMH-UHFFFAOYSA-N 1 0 395.426 -0.829 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000519587332 1073043799 /nfs/dbraw/zinc/04/37/99/1073043799.db2.gz KLOPEUYFKKWQSV-CVEARBPZSA-N 1 0 382.505 -0.382 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000519587335 1073043662 /nfs/dbraw/zinc/04/36/62/1073043662.db2.gz KLOPEUYFKKWQSV-HOTGVXAUSA-N 1 0 382.505 -0.382 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000519587337 1073043738 /nfs/dbraw/zinc/04/37/38/1073043738.db2.gz KLOPEUYFKKWQSV-HZPDHXFCSA-N 1 0 382.505 -0.382 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000519587339 1073043964 /nfs/dbraw/zinc/04/39/64/1073043964.db2.gz KLOPEUYFKKWQSV-JKSUJKDBSA-N 1 0 382.505 -0.382 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000519590492 1073047907 /nfs/dbraw/zinc/04/79/07/1073047907.db2.gz GHFSSIWBUWYSLQ-UHFFFAOYSA-N 1 0 383.537 -0.956 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000519591851 1073050455 /nfs/dbraw/zinc/05/04/55/1073050455.db2.gz VKIUDVGTLYLOLA-DLBZAZTESA-N 1 0 381.521 -0.843 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000519591864 1073050385 /nfs/dbraw/zinc/05/03/85/1073050385.db2.gz VKIUDVGTLYLOLA-IAGOWNOFSA-N 1 0 381.521 -0.843 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519591867 1073050536 /nfs/dbraw/zinc/05/05/36/1073050536.db2.gz VKIUDVGTLYLOLA-IRXDYDNUSA-N 1 0 381.521 -0.843 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000519591868 1073050441 /nfs/dbraw/zinc/05/04/41/1073050441.db2.gz VKIUDVGTLYLOLA-SJORKVTESA-N 1 0 381.521 -0.843 20 0 GBADRO NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000519592519 1073048983 /nfs/dbraw/zinc/04/89/83/1073048983.db2.gz HNLROGZRBJWIJC-UHFFFAOYSA-N 1 0 383.474 -0.549 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000519594578 1073052063 /nfs/dbraw/zinc/05/20/63/1073052063.db2.gz FNDKRUQRWHOXKT-AWEZNQCLSA-N 1 0 380.470 -0.385 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000519594613 1073052361 /nfs/dbraw/zinc/05/23/61/1073052361.db2.gz FNDKRUQRWHOXKT-CQSZACIVSA-N 1 0 380.470 -0.385 20 0 GBADRO C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000519599984 1073056849 /nfs/dbraw/zinc/05/68/49/1073056849.db2.gz MEQBLUMCODSOBO-ORQFMDKSSA-N 1 0 381.498 -0.375 20 0 GBADRO C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000519599997 1073056611 /nfs/dbraw/zinc/05/66/11/1073056611.db2.gz MEQBLUMCODSOBO-PQEBFOHHSA-N 1 0 381.498 -0.375 20 0 GBADRO C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000519600002 1073056518 /nfs/dbraw/zinc/05/65/18/1073056518.db2.gz MEQBLUMCODSOBO-RKTXRCNFSA-N 1 0 381.498 -0.375 20 0 GBADRO C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000519600007 1073056710 /nfs/dbraw/zinc/05/67/10/1073056710.db2.gz MEQBLUMCODSOBO-SVGFKBNWSA-N 1 0 381.498 -0.375 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)N1CCC[NH2+]CC1 ZINC000519600724 1073057483 /nfs/dbraw/zinc/05/74/83/1073057483.db2.gz OGUFQTWPWFYIOB-UHFFFAOYSA-N 1 0 381.454 -0.076 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000519603223 530287328 /nfs/dbraw/zinc/28/73/28/530287328.db2.gz HFGXCMLVGNKEEL-NXEZZACHSA-N 1 0 376.504 -0.307 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000519603227 530287736 /nfs/dbraw/zinc/28/77/36/530287736.db2.gz HFGXCMLVGNKEEL-UWVGGRQHSA-N 1 0 376.504 -0.307 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])s1 ZINC000519603229 530287552 /nfs/dbraw/zinc/28/75/52/530287552.db2.gz HFGXCMLVGNKEEL-VHSXEESVSA-N 1 0 376.504 -0.307 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000519603230 530287617 /nfs/dbraw/zinc/28/76/17/530287617.db2.gz HFGXCMLVGNKEEL-ZJUUUORDSA-N 1 0 376.504 -0.307 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)Cc1ccc(F)cc1C ZINC000519603648 1073061324 /nfs/dbraw/zinc/06/13/24/1073061324.db2.gz ICJCCEFYEXAZBM-DUVNUKRYSA-N 1 0 378.448 -0.039 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)Cc1ccc(F)cc1C ZINC000519603694 1073060045 /nfs/dbraw/zinc/06/00/45/1073060045.db2.gz ICJCCEFYEXAZBM-INWMFGNUSA-N 1 0 378.448 -0.039 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)Cc1ccc(F)cc1C ZINC000519603696 1073060002 /nfs/dbraw/zinc/06/00/02/1073060002.db2.gz ICJCCEFYEXAZBM-IVMMDQJWSA-N 1 0 378.448 -0.039 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)Cc1ccc(F)cc1C ZINC000519603697 1073059716 /nfs/dbraw/zinc/05/97/16/1073059716.db2.gz ICJCCEFYEXAZBM-NOLJZWGESA-N 1 0 378.448 -0.039 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)COC1CC[NH2+]CC1 ZINC000519606362 1073063880 /nfs/dbraw/zinc/06/38/80/1073063880.db2.gz ZOZUQKPGYWOCMG-UHFFFAOYSA-N 1 0 385.486 -0.316 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000519612312 1073069550 /nfs/dbraw/zinc/06/95/50/1073069550.db2.gz VKXLDPYEXDQAMV-GOSISDBHSA-N 1 0 384.546 -0.102 20 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CCn1c(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc2ccccc21 ZINC000519619071 1073080812 /nfs/dbraw/zinc/08/08/12/1073080812.db2.gz SYADDRZAEBBMJH-KBPBESRZSA-N 1 0 398.467 -0.515 20 0 GBADRO CCn1c(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc2ccccc21 ZINC000519619087 1073081018 /nfs/dbraw/zinc/08/10/18/1073081018.db2.gz SYADDRZAEBBMJH-KGLIPLIRSA-N 1 0 398.467 -0.515 20 0 GBADRO CCn1c(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc2ccccc21 ZINC000519619091 1073080496 /nfs/dbraw/zinc/08/04/96/1073080496.db2.gz SYADDRZAEBBMJH-UONOGXRCSA-N 1 0 398.467 -0.515 20 0 GBADRO CCn1c(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc2ccccc21 ZINC000519619095 1073080578 /nfs/dbraw/zinc/08/05/78/1073080578.db2.gz SYADDRZAEBBMJH-ZIAGYGMSSA-N 1 0 398.467 -0.515 20 0 GBADRO COC(=O)CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519619709 1073080626 /nfs/dbraw/zinc/08/06/26/1073080626.db2.gz VJDLEPSNYXORAH-DOMZBBRYSA-N 1 0 397.453 -0.439 20 0 GBADRO COC(=O)CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519619729 1073080462 /nfs/dbraw/zinc/08/04/62/1073080462.db2.gz VJDLEPSNYXORAH-IUODEOHRSA-N 1 0 397.453 -0.439 20 0 GBADRO COC(=O)CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000519619730 1073081039 /nfs/dbraw/zinc/08/10/39/1073081039.db2.gz VJDLEPSNYXORAH-SWLSCSKDSA-N 1 0 397.453 -0.439 20 0 GBADRO COC(=O)CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000519619732 1073080751 /nfs/dbraw/zinc/08/07/51/1073080751.db2.gz VJDLEPSNYXORAH-WFASDCNBSA-N 1 0 397.453 -0.439 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000519629168 1073080716 /nfs/dbraw/zinc/08/07/16/1073080716.db2.gz QNYCAQIPVJYAOS-HNNXBMFYSA-N 1 0 386.518 -0.433 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000519629169 1073080734 /nfs/dbraw/zinc/08/07/34/1073080734.db2.gz QNYCAQIPVJYAOS-OAHLLOKOSA-N 1 0 386.518 -0.433 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634285 1073081623 /nfs/dbraw/zinc/08/16/23/1073081623.db2.gz KHVRZDBOLNTGQW-DLBZAZTESA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634286 1073081356 /nfs/dbraw/zinc/08/13/56/1073081356.db2.gz KHVRZDBOLNTGQW-IAGOWNOFSA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634287 1073081389 /nfs/dbraw/zinc/08/13/89/1073081389.db2.gz KHVRZDBOLNTGQW-IRXDYDNUSA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000519634289 1073081194 /nfs/dbraw/zinc/08/11/94/1073081194.db2.gz KHVRZDBOLNTGQW-SJORKVTESA-N 1 0 384.521 -0.626 20 0 GBADRO CC(C)c1ccc(OCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000519634770 1073081538 /nfs/dbraw/zinc/08/15/38/1073081538.db2.gz BEROGLMENHGMHZ-UHFFFAOYSA-N 1 0 376.457 -0.147 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NC2C[NH2+]C2)s1 ZINC000519635247 530287762 /nfs/dbraw/zinc/28/77/62/530287762.db2.gz OUYKNUQMOWGXLE-UHFFFAOYSA-N 1 0 388.515 -0.475 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)cc1 ZINC000519635270 1073081486 /nfs/dbraw/zinc/08/14/86/1073081486.db2.gz XRKYSPIZDQREGN-AWEZNQCLSA-N 1 0 397.501 -0.648 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)cc1 ZINC000519635286 1073081256 /nfs/dbraw/zinc/08/12/56/1073081256.db2.gz XRKYSPIZDQREGN-CQSZACIVSA-N 1 0 397.501 -0.648 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4cc(Cl)ccc4n3)CCN2C1=O ZINC000519639677 1073082309 /nfs/dbraw/zinc/08/23/09/1073082309.db2.gz AZZJWLCYWZGQFG-CHWSQXEVSA-N 1 0 390.831 -0.626 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4cc(Cl)ccc4n3)CCN2C1=O ZINC000519639699 1073082103 /nfs/dbraw/zinc/08/21/03/1073082103.db2.gz AZZJWLCYWZGQFG-OLZOCXBDSA-N 1 0 390.831 -0.626 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4cc(Cl)ccc4n3)CCN2C1=O ZINC000519639706 1073082451 /nfs/dbraw/zinc/08/24/51/1073082451.db2.gz AZZJWLCYWZGQFG-QWHCGFSZSA-N 1 0 390.831 -0.626 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4cc(Cl)ccc4n3)CCN2C1=O ZINC000519639710 1073081772 /nfs/dbraw/zinc/08/17/72/1073081772.db2.gz AZZJWLCYWZGQFG-STQMWFEESA-N 1 0 390.831 -0.626 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000519639782 1073082600 /nfs/dbraw/zinc/08/26/00/1073082600.db2.gz DQKRLNAHJSFAHJ-MSOLQXFVSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000519639794 1073082209 /nfs/dbraw/zinc/08/22/09/1073082209.db2.gz DQKRLNAHJSFAHJ-QZTJIDSGSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000519639797 1073081894 /nfs/dbraw/zinc/08/18/94/1073081894.db2.gz DQKRLNAHJSFAHJ-ROUUACIJSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000519639801 1073082393 /nfs/dbraw/zinc/08/23/93/1073082393.db2.gz DQKRLNAHJSFAHJ-ZWKOTPCHSA-N 1 0 399.495 -0.196 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000519641048 1073082469 /nfs/dbraw/zinc/08/24/69/1073082469.db2.gz DWOPIFBLICSYDK-CABCVRRESA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000519641051 1073082480 /nfs/dbraw/zinc/08/24/80/1073082480.db2.gz DWOPIFBLICSYDK-GJZGRUSLSA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000519641055 1073082381 /nfs/dbraw/zinc/08/23/81/1073082381.db2.gz DWOPIFBLICSYDK-HUUCEWRRSA-N 1 0 386.518 -0.292 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000519641058 1073081883 /nfs/dbraw/zinc/08/18/83/1073081883.db2.gz DWOPIFBLICSYDK-LSDHHAIUSA-N 1 0 386.518 -0.292 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@]1(C)C[NH3+] ZINC000519641865 1073082588 /nfs/dbraw/zinc/08/25/88/1073082588.db2.gz XFAKAQTUYHZJEG-FZKQIMNGSA-N 1 0 394.497 -0.136 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000519642747 1073082262 /nfs/dbraw/zinc/08/22/62/1073082262.db2.gz HIOAMSQRUOMUSW-UHFFFAOYSA-N 1 0 393.532 -0.210 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000519643083 1073081915 /nfs/dbraw/zinc/08/19/15/1073081915.db2.gz ZQOVZDMZFBMAEZ-JXFKEZNVSA-N 1 0 390.484 -0.281 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000519643127 1073082220 /nfs/dbraw/zinc/08/22/20/1073082220.db2.gz ZQOVZDMZFBMAEZ-OXJNMPFZSA-N 1 0 390.484 -0.281 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000519643130 1073082530 /nfs/dbraw/zinc/08/25/30/1073082530.db2.gz ZQOVZDMZFBMAEZ-OXQOHEQNSA-N 1 0 390.484 -0.281 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000519643131 1073081826 /nfs/dbraw/zinc/08/18/26/1073081826.db2.gz 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20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000519785665 1073088414 /nfs/dbraw/zinc/08/84/14/1073088414.db2.gz XVGZZQRFBMAVEE-GXFFZTMASA-N 1 0 383.426 -0.586 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000519785667 1073089457 /nfs/dbraw/zinc/08/94/57/1073089457.db2.gz XVGZZQRFBMAVEE-MFKMUULPSA-N 1 0 383.426 -0.586 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000519785668 1073089190 /nfs/dbraw/zinc/08/91/90/1073089190.db2.gz XVGZZQRFBMAVEE-ZWNOBZJWSA-N 1 0 383.426 -0.586 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000519795300 1073339190 /nfs/dbraw/zinc/33/91/90/1073339190.db2.gz ZHHGEKGZPVGEJF-CILWKZBWSA-N 1 0 391.472 -0.578 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000519795301 1073338939 /nfs/dbraw/zinc/33/89/39/1073338939.db2.gz ZHHGEKGZPVGEJF-FRGNPEFRSA-N 1 0 391.472 -0.578 20 0 GBADRO 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CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000519813662 1073090025 /nfs/dbraw/zinc/09/00/25/1073090025.db2.gz PFPLCCCRYQJJTH-CABCVRRESA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000519813667 1073089478 /nfs/dbraw/zinc/08/94/78/1073089478.db2.gz PFPLCCCRYQJJTH-GJZGRUSLSA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000519813675 1073089624 /nfs/dbraw/zinc/08/96/24/1073089624.db2.gz PFPLCCCRYQJJTH-HUUCEWRRSA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000519813678 1073089726 /nfs/dbraw/zinc/08/97/26/1073089726.db2.gz PFPLCCCRYQJJTH-LSDHHAIUSA-N 1 0 393.875 -0.337 20 0 GBADRO Cc1ccc(C)c(N2CCN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000519814922 1073090218 /nfs/dbraw/zinc/09/02/18/1073090218.db2.gz PALZTMDPWADSOK-UHFFFAOYSA-N 1 0 387.484 -0.500 20 0 GBADRO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000519820515 1073091239 /nfs/dbraw/zinc/09/12/39/1073091239.db2.gz CDKOURSILMQLMJ-AWEZNQCLSA-N 1 0 380.470 -0.306 20 0 GBADRO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000519820533 1073091303 /nfs/dbraw/zinc/09/13/03/1073091303.db2.gz CDKOURSILMQLMJ-CQSZACIVSA-N 1 0 380.470 -0.306 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000519821128 1073091502 /nfs/dbraw/zinc/09/15/02/1073091502.db2.gz ACXNWWSVSXATDA-KRWDZBQOSA-N 1 0 380.514 -0.046 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000519821135 1073091473 /nfs/dbraw/zinc/09/14/73/1073091473.db2.gz ACXNWWSVSXATDA-QGZVFWFLSA-N 1 0 380.514 -0.046 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000519824161 1073092708 /nfs/dbraw/zinc/09/27/08/1073092708.db2.gz SMVNUAYCHSWAFH-CABCVRRESA-N 1 0 386.518 -0.340 20 0 GBADRO 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ZINC000519827486 1073090343 /nfs/dbraw/zinc/09/03/43/1073090343.db2.gz WNJXWOSWTHLTAU-OAHLLOKOSA-N 1 0 385.476 -0.455 20 0 GBADRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000519828563 1073090202 /nfs/dbraw/zinc/09/02/02/1073090202.db2.gz OVGJZZLZNAUNSQ-KRWDZBQOSA-N 1 0 398.485 -0.706 20 0 GBADRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000519828582 1073090380 /nfs/dbraw/zinc/09/03/80/1073090380.db2.gz OVGJZZLZNAUNSQ-QGZVFWFLSA-N 1 0 398.485 -0.706 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000519831276 1073090106 /nfs/dbraw/zinc/09/01/06/1073090106.db2.gz GOLRUSLKOHNYQX-CVEARBPZSA-N 1 0 391.468 -0.078 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000519831290 1073090509 /nfs/dbraw/zinc/09/05/09/1073090509.db2.gz GOLRUSLKOHNYQX-HOTGVXAUSA-N 1 0 391.468 -0.078 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000519831292 1073090172 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YTCFYMPGSTWMIJ-JSGCOSHPSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000519832952 1073091750 /nfs/dbraw/zinc/09/17/50/1073091750.db2.gz YTCFYMPGSTWMIJ-OCCSQVGLSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000519832955 1073091673 /nfs/dbraw/zinc/09/16/73/1073091673.db2.gz YTCFYMPGSTWMIJ-TZMCWYRMSA-N 1 0 380.470 -0.241 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000519833077 1073090476 /nfs/dbraw/zinc/09/04/76/1073090476.db2.gz MQIYXPHDAGPVPZ-CABCVRRESA-N 1 0 386.456 -0.932 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000519833080 1073090913 /nfs/dbraw/zinc/09/09/13/1073090913.db2.gz MQIYXPHDAGPVPZ-GJZGRUSLSA-N 1 0 386.456 -0.932 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000519833082 1073091544 /nfs/dbraw/zinc/09/15/44/1073091544.db2.gz MQIYXPHDAGPVPZ-HUUCEWRRSA-N 1 0 386.456 -0.932 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CCN2C1=O ZINC000519833085 1073091386 /nfs/dbraw/zinc/09/13/86/1073091386.db2.gz MQIYXPHDAGPVPZ-LSDHHAIUSA-N 1 0 386.456 -0.932 20 0 GBADRO C[NH+](C)[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000519833319 1073090778 /nfs/dbraw/zinc/09/07/78/1073090778.db2.gz OJXKEPJVBBQYIP-ROUUACIJSA-N 1 0 390.484 -0.618 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000519838835 1073092543 /nfs/dbraw/zinc/09/25/43/1073092543.db2.gz CUOOVLNPWMJPSD-UHFFFAOYSA-N 1 0 392.504 -0.314 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000519842476 1073092668 /nfs/dbraw/zinc/09/26/68/1073092668.db2.gz LSFGJBXGLDSVRN-UHFFFAOYSA-N 1 0 386.390 -0.275 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000519848648 1073092954 /nfs/dbraw/zinc/09/29/54/1073092954.db2.gz MIGZYFIOKZHPPZ-CABCVRRESA-N 1 0 391.538 -0.333 20 0 GBADRO 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-0.537 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000520718658 530290793 /nfs/dbraw/zinc/29/07/93/530290793.db2.gz RKLLGRBQLSIFBC-SNVBAGLBSA-N 1 0 388.266 -0.537 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000520726380 1073197295 /nfs/dbraw/zinc/19/72/95/1073197295.db2.gz NJJWWAXPWICDST-DLBZAZTESA-N 1 0 382.553 -0.136 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000520726381 1073197504 /nfs/dbraw/zinc/19/75/04/1073197504.db2.gz NJJWWAXPWICDST-IAGOWNOFSA-N 1 0 382.553 -0.136 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000520726382 1073197726 /nfs/dbraw/zinc/19/77/26/1073197726.db2.gz NJJWWAXPWICDST-IRXDYDNUSA-N 1 0 382.553 -0.136 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000520726383 1073197536 /nfs/dbraw/zinc/19/75/36/1073197536.db2.gz NJJWWAXPWICDST-SJORKVTESA-N 1 0 382.553 -0.136 20 0 GBADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000520739371 1073200035 /nfs/dbraw/zinc/20/00/35/1073200035.db2.gz LCWXEKZRMGYRMQ-UHFFFAOYSA-N 1 0 379.490 -0.032 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000520740223 530290589 /nfs/dbraw/zinc/29/05/89/530290589.db2.gz FGUYTURPSTYPHZ-GFCCVEGCSA-N 1 0 376.504 -0.752 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000520740224 530290641 /nfs/dbraw/zinc/29/06/41/530290641.db2.gz FGUYTURPSTYPHZ-LBPRGKRZSA-N 1 0 376.504 -0.752 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000520752025 1073201274 /nfs/dbraw/zinc/20/12/74/1073201274.db2.gz OQMYCDMYIXXZFN-UHFFFAOYSA-N 1 0 376.461 -0.761 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000520752752 1073201113 /nfs/dbraw/zinc/20/11/13/1073201113.db2.gz KHOAOKUFADTFMH-CABCVRRESA-N 1 0 388.534 -0.141 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000520752753 1073201474 /nfs/dbraw/zinc/20/14/74/1073201474.db2.gz KHOAOKUFADTFMH-GJZGRUSLSA-N 1 0 388.534 -0.141 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000520752754 1073201418 /nfs/dbraw/zinc/20/14/18/1073201418.db2.gz KHOAOKUFADTFMH-HUUCEWRRSA-N 1 0 388.534 -0.141 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000520752755 1073201493 /nfs/dbraw/zinc/20/14/93/1073201493.db2.gz KHOAOKUFADTFMH-LSDHHAIUSA-N 1 0 388.534 -0.141 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000520757539 530345945 /nfs/dbraw/zinc/34/59/45/530345945.db2.gz LBMSFPYFTLHLSH-CHWSQXEVSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000520757540 530346019 /nfs/dbraw/zinc/34/60/19/530346019.db2.gz LBMSFPYFTLHLSH-OLZOCXBDSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000520757541 530346106 /nfs/dbraw/zinc/34/61/06/530346106.db2.gz LBMSFPYFTLHLSH-QWHCGFSZSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000520757542 530345967 /nfs/dbraw/zinc/34/59/67/530345967.db2.gz LBMSFPYFTLHLSH-STQMWFEESA-N 1 0 375.495 -0.951 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C2=O ZINC000520760090 1073201929 /nfs/dbraw/zinc/20/19/29/1073201929.db2.gz LSRXYTFHIRLVDX-BIWSTMPVSA-N 1 0 393.488 -0.057 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)C2=O ZINC000520760091 1073202072 /nfs/dbraw/zinc/20/20/72/1073202072.db2.gz LSRXYTFHIRLVDX-SHYRYGCCSA-N 1 0 393.488 -0.057 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000520768177 1073202641 /nfs/dbraw/zinc/20/26/41/1073202641.db2.gz AAYOVKNHAQDGFJ-AWEZNQCLSA-N 1 0 383.474 -0.527 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000520768179 1073202669 /nfs/dbraw/zinc/20/26/69/1073202669.db2.gz AAYOVKNHAQDGFJ-CQSZACIVSA-N 1 0 383.474 -0.527 20 0 GBADRO CCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000520768645 1073202752 /nfs/dbraw/zinc/20/27/52/1073202752.db2.gz JYATZAYFBOVIFJ-AWEZNQCLSA-N 1 0 389.522 -0.561 20 0 GBADRO CCS(=O)(=O)NC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000520768650 1073202823 /nfs/dbraw/zinc/20/28/23/1073202823.db2.gz JYATZAYFBOVIFJ-CQSZACIVSA-N 1 0 389.522 -0.561 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000520770983 1073203793 /nfs/dbraw/zinc/20/37/93/1073203793.db2.gz FCXGPBOZQYBYQE-HNNXBMFYSA-N 1 0 389.456 -0.603 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000520770984 1073203818 /nfs/dbraw/zinc/20/38/18/1073203818.db2.gz FCXGPBOZQYBYQE-OAHLLOKOSA-N 1 0 389.456 -0.603 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000520771071 1073932632 /nfs/dbraw/zinc/93/26/32/1073932632.db2.gz NSRJKKXARKJKFI-BZSNNMDCSA-N 1 0 387.484 -0.127 20 0 GBADRO COc1cc(C[C@@H](CO)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000520807706 1073229278 /nfs/dbraw/zinc/22/92/78/1073229278.db2.gz OVLMFFGSEIVTGR-PBHICJAKSA-N 1 0 379.457 -0.161 20 0 GBADRO COc1cc(C[C@@H](CO)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000520807707 1073229226 /nfs/dbraw/zinc/22/92/26/1073229226.db2.gz OVLMFFGSEIVTGR-RHSMWYFYSA-N 1 0 379.457 -0.161 20 0 GBADRO COc1cc(C[C@H](CO)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000520807708 1073228946 /nfs/dbraw/zinc/22/89/46/1073228946.db2.gz OVLMFFGSEIVTGR-WMLDXEAASA-N 1 0 379.457 -0.161 20 0 GBADRO COc1cc(C[C@H](CO)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000520807709 1073229149 /nfs/dbraw/zinc/22/91/49/1073229149.db2.gz OVLMFFGSEIVTGR-YOEHRIQHSA-N 1 0 379.457 -0.161 20 0 GBADRO Cn1c2c(ccn2CC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(=O)n(C)c1=O ZINC000520810615 1073229601 /nfs/dbraw/zinc/22/96/01/1073229601.db2.gz YJRGKIMGBFDVHB-CYBMUJFWSA-N 1 0 389.456 -0.747 20 0 GBADRO Cn1c2c(ccn2CC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(=O)n(C)c1=O ZINC000520810616 1073229693 /nfs/dbraw/zinc/22/96/93/1073229693.db2.gz YJRGKIMGBFDVHB-ZDUSSCGKSA-N 1 0 389.456 -0.747 20 0 GBADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2nccn2C)cc1S(N)(=O)=O ZINC000520812638 1073229210 /nfs/dbraw/zinc/22/92/10/1073229210.db2.gz BQFRWSJUPYAQSM-AWEZNQCLSA-N 1 0 392.485 -0.039 20 0 GBADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1S(N)(=O)=O ZINC000520812639 1073229030 /nfs/dbraw/zinc/22/90/30/1073229030.db2.gz BQFRWSJUPYAQSM-CQSZACIVSA-N 1 0 392.485 -0.039 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1=O ZINC000520813034 1073228935 /nfs/dbraw/zinc/22/89/35/1073228935.db2.gz OIVGATVVYMXVNJ-FOGDFJRCSA-N 1 0 396.469 -0.002 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000520813035 1073228830 /nfs/dbraw/zinc/22/88/30/1073228830.db2.gz OIVGATVVYMXVNJ-NHCYSSNCSA-N 1 0 396.469 -0.002 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1=O ZINC000520813036 1073229118 /nfs/dbraw/zinc/22/91/18/1073229118.db2.gz OIVGATVVYMXVNJ-SCVCMEIPSA-N 1 0 396.469 -0.002 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1=O ZINC000520813037 1073229238 /nfs/dbraw/zinc/22/92/38/1073229238.db2.gz OIVGATVVYMXVNJ-UMNHJUIQSA-N 1 0 396.469 -0.002 20 0 GBADRO C[C@H]1C[NH2+]CCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000520814228 1073228971 /nfs/dbraw/zinc/22/89/71/1073228971.db2.gz AFCVAXNCZYSODE-HNNXBMFYSA-N 1 0 396.513 -0.383 20 0 GBADRO CCc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1S(N)(=O)=O ZINC000520841223 1073231077 /nfs/dbraw/zinc/23/10/77/1073231077.db2.gz JOOCTYILSSUZRE-CHWSQXEVSA-N 1 0 381.458 -0.328 20 0 GBADRO CCc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1S(N)(=O)=O ZINC000520841224 1073231439 /nfs/dbraw/zinc/23/14/39/1073231439.db2.gz JOOCTYILSSUZRE-OLZOCXBDSA-N 1 0 381.458 -0.328 20 0 GBADRO CCc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1S(N)(=O)=O ZINC000520841225 1073230992 /nfs/dbraw/zinc/23/09/92/1073230992.db2.gz JOOCTYILSSUZRE-QWHCGFSZSA-N 1 0 381.458 -0.328 20 0 GBADRO CN(CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000520848495 1073231055 /nfs/dbraw/zinc/23/10/55/1073231055.db2.gz ASFUQVFESAMGKT-INIZCTEOSA-N 1 0 395.529 -0.432 20 0 GBADRO CN(CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000520848497 1073231098 /nfs/dbraw/zinc/23/10/98/1073231098.db2.gz ASFUQVFESAMGKT-MRXNPFEDSA-N 1 0 395.529 -0.432 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000520850996 1073232157 /nfs/dbraw/zinc/23/21/57/1073232157.db2.gz PLWZIGWWDVXZQM-DJIMGWMZSA-N 1 0 391.516 -0.459 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000520850997 1073232136 /nfs/dbraw/zinc/23/21/36/1073232136.db2.gz PLWZIGWWDVXZQM-HYVNUMGLSA-N 1 0 391.516 -0.459 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000520850998 1073232180 /nfs/dbraw/zinc/23/21/80/1073232180.db2.gz PLWZIGWWDVXZQM-OIISXLGYSA-N 1 0 391.516 -0.459 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000520850999 1073232049 /nfs/dbraw/zinc/23/20/49/1073232049.db2.gz PLWZIGWWDVXZQM-PVAVHDDUSA-N 1 0 391.516 -0.459 20 0 GBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000520935489 1073236976 /nfs/dbraw/zinc/23/69/76/1073236976.db2.gz FOFSHFYVIBWITH-GFCCVEGCSA-N 1 0 379.446 -0.639 20 0 GBADRO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000520935490 1073237164 /nfs/dbraw/zinc/23/71/64/1073237164.db2.gz FOFSHFYVIBWITH-LBPRGKRZSA-N 1 0 379.446 -0.639 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000520979552 1073243808 /nfs/dbraw/zinc/24/38/08/1073243808.db2.gz FRGAYYFOVWOIRK-UHFFFAOYSA-N 1 0 389.522 -0.690 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000520979849 1073328828 /nfs/dbraw/zinc/32/88/28/1073328828.db2.gz ROXQURGTBRCKJU-UHFFFAOYSA-N 1 0 389.522 -0.784 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000520989293 1073243155 /nfs/dbraw/zinc/24/31/55/1073243155.db2.gz MIEGNPBWBBPXJC-UHFFFAOYSA-N 1 0 377.489 -0.940 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000520989350 1073951652 /nfs/dbraw/zinc/95/16/52/1073951652.db2.gz VUBURXXYGYPIHN-UHFFFAOYSA-N 1 0 395.548 -0.010 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000520998458 1073245202 /nfs/dbraw/zinc/24/52/02/1073245202.db2.gz XRZKHTCKTNYSFK-AWEZNQCLSA-N 1 0 389.522 -0.655 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000520998459 1073245013 /nfs/dbraw/zinc/24/50/13/1073245013.db2.gz XRZKHTCKTNYSFK-CQSZACIVSA-N 1 0 389.522 -0.655 20 0 GBADRO O=C(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000521007292 1073295958 /nfs/dbraw/zinc/29/59/58/1073295958.db2.gz SEZABVQNGPKMLE-UHFFFAOYSA-N 1 0 395.485 -0.866 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000521008037 1073244123 /nfs/dbraw/zinc/24/41/23/1073244123.db2.gz KORJQZZMXAPOHW-INIZCTEOSA-N 1 0 379.505 -0.615 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@H](C[NH3+])C1 ZINC000521008039 1073299445 /nfs/dbraw/zinc/29/94/45/1073299445.db2.gz KORJQZZMXAPOHW-MRXNPFEDSA-N 1 0 379.505 -0.615 20 0 GBADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000521025872 1073287907 /nfs/dbraw/zinc/28/79/07/1073287907.db2.gz ZHWMJFVSXGPXDQ-INIZCTEOSA-N 1 0 379.505 -0.660 20 0 GBADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000521025873 1073245868 /nfs/dbraw/zinc/24/58/68/1073245868.db2.gz ZHWMJFVSXGPXDQ-MRXNPFEDSA-N 1 0 379.505 -0.660 20 0 GBADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000521029343 1073245630 /nfs/dbraw/zinc/24/56/30/1073245630.db2.gz PPMVCGCSAVDBRR-JTQLQIEISA-N 1 0 376.417 -0.973 20 0 GBADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000521029346 1073245783 /nfs/dbraw/zinc/24/57/83/1073245783.db2.gz PPMVCGCSAVDBRR-SNVBAGLBSA-N 1 0 376.417 -0.973 20 0 GBADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000521029713 1073245912 /nfs/dbraw/zinc/24/59/12/1073245912.db2.gz NVOMYBIIUXRXTA-INIZCTEOSA-N 1 0 390.488 -0.270 20 0 GBADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000521029714 1073245844 /nfs/dbraw/zinc/24/58/44/1073245844.db2.gz NVOMYBIIUXRXTA-MRXNPFEDSA-N 1 0 390.488 -0.270 20 0 GBADRO O=C(CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000521038927 1073246615 /nfs/dbraw/zinc/24/66/15/1073246615.db2.gz UHIFGDNQPJYWRX-INIZCTEOSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000521038928 1073246677 /nfs/dbraw/zinc/24/66/77/1073246677.db2.gz UHIFGDNQPJYWRX-MRXNPFEDSA-N 1 0 379.505 -0.552 20 0 GBADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000521040495 1073247216 /nfs/dbraw/zinc/24/72/16/1073247216.db2.gz JLXMGJCDISMRAG-UHFFFAOYSA-N 1 0 391.457 -0.093 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000521045580 1073247356 /nfs/dbraw/zinc/24/73/56/1073247356.db2.gz XFSBUONKKKLOSG-CHWSQXEVSA-N 1 0 383.470 -0.173 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000521045581 1073247163 /nfs/dbraw/zinc/24/71/63/1073247163.db2.gz XFSBUONKKKLOSG-OLZOCXBDSA-N 1 0 383.470 -0.173 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000521045582 1073247332 /nfs/dbraw/zinc/24/73/32/1073247332.db2.gz XFSBUONKKKLOSG-QWHCGFSZSA-N 1 0 383.470 -0.173 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000521045583 1073247311 /nfs/dbraw/zinc/24/73/11/1073247311.db2.gz XFSBUONKKKLOSG-STQMWFEESA-N 1 0 383.470 -0.173 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OC)CC1 ZINC000521056085 1073247108 /nfs/dbraw/zinc/24/71/08/1073247108.db2.gz PUMCXSOSLDBLDU-UHFFFAOYSA-N 1 0 378.429 -0.040 20 0 GBADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000521068294 530452454 /nfs/dbraw/zinc/45/24/54/530452454.db2.gz SVFJOLWNCBOGQM-GFCCVEGCSA-N 1 0 379.508 -0.103 20 0 GBADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000521068295 530452430 /nfs/dbraw/zinc/45/24/30/530452430.db2.gz SVFJOLWNCBOGQM-LBPRGKRZSA-N 1 0 379.508 -0.103 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000521070822 1073248236 /nfs/dbraw/zinc/24/82/36/1073248236.db2.gz LXMIPHDVOXWODN-CORIIIEPSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000521070823 1073248102 /nfs/dbraw/zinc/24/81/02/1073248102.db2.gz LXMIPHDVOXWODN-LNSITVRQSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000521070824 1073247894 /nfs/dbraw/zinc/24/78/94/1073247894.db2.gz LXMIPHDVOXWODN-NJZAAPMLSA-N 1 0 395.485 -0.391 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000521070825 1073247868 /nfs/dbraw/zinc/24/78/68/1073247868.db2.gz LXMIPHDVOXWODN-WHOFXGATSA-N 1 0 395.485 -0.391 20 0 GBADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521070952 1073247398 /nfs/dbraw/zinc/24/73/98/1073247398.db2.gz VJZDQEKMQNUPFO-MPKXVKKWSA-N 1 0 396.394 -0.381 20 0 GBADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521070953 1073247496 /nfs/dbraw/zinc/24/74/96/1073247496.db2.gz VJZDQEKMQNUPFO-OSMZGAPFSA-N 1 0 396.394 -0.381 20 0 GBADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521070954 1073247875 /nfs/dbraw/zinc/24/78/75/1073247875.db2.gz VJZDQEKMQNUPFO-QKCSRTOESA-N 1 0 396.394 -0.381 20 0 GBADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521070955 1073247927 /nfs/dbraw/zinc/24/79/27/1073247927.db2.gz VJZDQEKMQNUPFO-SCDSUCTJSA-N 1 0 396.394 -0.381 20 0 GBADRO CCN(CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)S(C)(=O)=O ZINC000521076660 530461793 /nfs/dbraw/zinc/46/17/93/530461793.db2.gz YFXIHHMTLHULHQ-UHFFFAOYSA-N 1 0 376.523 -0.235 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000521077985 1072222301 /nfs/dbraw/zinc/22/23/01/1072222301.db2.gz WWFZQZOLXBNBRG-CVEARBPZSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000521077987 1072222462 /nfs/dbraw/zinc/22/24/62/1072222462.db2.gz WWFZQZOLXBNBRG-HOTGVXAUSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000521077989 1072222756 /nfs/dbraw/zinc/22/27/56/1072222756.db2.gz WWFZQZOLXBNBRG-HZPDHXFCSA-N 1 0 381.521 -0.402 20 0 GBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000521077990 1072222231 /nfs/dbraw/zinc/22/22/31/1072222231.db2.gz WWFZQZOLXBNBRG-JKSUJKDBSA-N 1 0 381.521 -0.402 20 0 GBADRO COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000521092453 1073249710 /nfs/dbraw/zinc/24/97/10/1073249710.db2.gz CLEVFLADXFIEFO-AWEZNQCLSA-N 1 0 392.456 -0.092 20 0 GBADRO COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000521092454 1073249604 /nfs/dbraw/zinc/24/96/04/1073249604.db2.gz CLEVFLADXFIEFO-CQSZACIVSA-N 1 0 392.456 -0.092 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000521093132 1073249333 /nfs/dbraw/zinc/24/93/33/1073249333.db2.gz AQAAYJZIFZDFIL-KBPBESRZSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000521093137 1073249443 /nfs/dbraw/zinc/24/94/43/1073249443.db2.gz AQAAYJZIFZDFIL-KGLIPLIRSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000521093138 1073249274 /nfs/dbraw/zinc/24/92/74/1073249274.db2.gz AQAAYJZIFZDFIL-UONOGXRCSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000521093139 1072245313 /nfs/dbraw/zinc/24/53/13/1072245313.db2.gz AQAAYJZIFZDFIL-ZIAGYGMSSA-N 1 0 381.477 -0.053 20 0 GBADRO COCC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521102298 1073248574 /nfs/dbraw/zinc/24/85/74/1073248574.db2.gz WMNHUPLYQUVCPS-SFHVURJKSA-N 1 0 396.532 -0.073 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000521102856 1073248795 /nfs/dbraw/zinc/24/87/95/1073248795.db2.gz LOKMNJIDEVUJNX-MSOLQXFVSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000521102857 1073248594 /nfs/dbraw/zinc/24/85/94/1073248594.db2.gz LOKMNJIDEVUJNX-QZTJIDSGSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000521102858 1073248720 /nfs/dbraw/zinc/24/87/20/1073248720.db2.gz LOKMNJIDEVUJNX-ROUUACIJSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000521102859 1073248558 /nfs/dbraw/zinc/24/85/58/1073248558.db2.gz LOKMNJIDEVUJNX-ZWKOTPCHSA-N 1 0 396.532 -0.075 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000521143365 1073251110 /nfs/dbraw/zinc/25/11/10/1073251110.db2.gz APFLJALRROHAFI-UHFFFAOYSA-N 1 0 390.488 -0.715 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000521183316 1073258356 /nfs/dbraw/zinc/25/83/56/1073258356.db2.gz NTVUKENHXBKNTA-UHFFFAOYSA-N 1 0 397.520 -0.715 20 0 GBADRO C[C@@H]1CC(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000521217996 1073260097 /nfs/dbraw/zinc/26/00/97/1073260097.db2.gz SUYOPHNMIIWNLK-BFYDXBDKSA-N 1 0 394.516 -0.023 20 0 GBADRO C[C@@H]1CC(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC000521217997 1073260328 /nfs/dbraw/zinc/26/03/28/1073260328.db2.gz SUYOPHNMIIWNLK-INMHGKMJSA-N 1 0 394.516 -0.023 20 0 GBADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000521217998 1073260371 /nfs/dbraw/zinc/26/03/71/1073260371.db2.gz SUYOPHNMIIWNLK-YVSFHVDLSA-N 1 0 394.516 -0.023 20 0 GBADRO C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000521217999 1073260179 /nfs/dbraw/zinc/26/01/79/1073260179.db2.gz SUYOPHNMIIWNLK-YYIAUSFCSA-N 1 0 394.516 -0.023 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000521218207 1073260237 /nfs/dbraw/zinc/26/02/37/1073260237.db2.gz IJDSLSZIOCQCRT-UHFFFAOYSA-N 1 0 396.451 -0.695 20 0 GBADRO Cc1cccc(N2CCN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000521218208 1073260255 /nfs/dbraw/zinc/26/02/55/1073260255.db2.gz INPWAHSJANBWDA-UHFFFAOYSA-N 1 0 387.484 -0.500 20 0 GBADRO O=C(CNC(=O)C(=O)NCCCc1nc2c(s1)CCCC2)N1CC[NH2+]CC1 ZINC000521218221 1073260315 /nfs/dbraw/zinc/26/03/15/1073260315.db2.gz JYVCCMXBBVJYRM-UHFFFAOYSA-N 1 0 393.513 -0.381 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CCCO1 ZINC000521218320 1073260020 /nfs/dbraw/zinc/26/00/20/1073260020.db2.gz ZFYPUKHQXMOYKU-GOSISDBHSA-N 1 0 389.500 -0.499 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CCCO1 ZINC000521218321 1073260036 /nfs/dbraw/zinc/26/00/36/1073260036.db2.gz ZFYPUKHQXMOYKU-SFHVURJKSA-N 1 0 389.500 -0.499 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC(=O)N1C ZINC000521221988 1073261125 /nfs/dbraw/zinc/26/11/25/1073261125.db2.gz FQQSTQSZCYHSQJ-BMFZPTHFSA-N 1 0 380.489 -0.440 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC(=O)N1C ZINC000521221989 1073260833 /nfs/dbraw/zinc/26/08/33/1073260833.db2.gz FQQSTQSZCYHSQJ-FVQBIDKESA-N 1 0 380.489 -0.440 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC(=O)N1C ZINC000521221990 1073261011 /nfs/dbraw/zinc/26/10/11/1073261011.db2.gz FQQSTQSZCYHSQJ-KBMXLJTQSA-N 1 0 380.489 -0.440 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC(=O)N1C ZINC000521221991 1073261099 /nfs/dbraw/zinc/26/10/99/1073261099.db2.gz FQQSTQSZCYHSQJ-VNQPRFMTSA-N 1 0 380.489 -0.440 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000521225857 1073259366 /nfs/dbraw/zinc/25/93/66/1073259366.db2.gz AWAWXEQCVDASJR-KRWDZBQOSA-N 1 0 387.484 -0.999 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000521225858 1073259392 /nfs/dbraw/zinc/25/93/92/1073259392.db2.gz AWAWXEQCVDASJR-QGZVFWFLSA-N 1 0 387.484 -0.999 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000521227277 530462295 /nfs/dbraw/zinc/46/22/95/530462295.db2.gz CBXKNAPFTSBVSA-CYBMUJFWSA-N 1 0 388.515 -0.598 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000521227278 530462432 /nfs/dbraw/zinc/46/24/32/530462432.db2.gz CBXKNAPFTSBVSA-ZDUSSCGKSA-N 1 0 388.515 -0.598 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000521228648 530462121 /nfs/dbraw/zinc/46/21/21/530462121.db2.gz IUOJBFJGMKIKTM-CABCVRRESA-N 1 0 379.523 -0.207 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000521228649 530462199 /nfs/dbraw/zinc/46/21/99/530462199.db2.gz IUOJBFJGMKIKTM-GJZGRUSLSA-N 1 0 379.523 -0.207 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000521228650 530462202 /nfs/dbraw/zinc/46/22/02/530462202.db2.gz IUOJBFJGMKIKTM-HUUCEWRRSA-N 1 0 379.523 -0.207 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000521228651 530462356 /nfs/dbraw/zinc/46/23/56/530462356.db2.gz IUOJBFJGMKIKTM-LSDHHAIUSA-N 1 0 379.523 -0.207 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000521231877 530462326 /nfs/dbraw/zinc/46/23/26/530462326.db2.gz VBVAXFOBOCATJF-HNNXBMFYSA-N 1 0 375.539 -0.263 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000521231878 530462149 /nfs/dbraw/zinc/46/21/49/530462149.db2.gz VBVAXFOBOCATJF-OAHLLOKOSA-N 1 0 375.539 -0.263 20 0 GBADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC000521242599 1073260795 /nfs/dbraw/zinc/26/07/95/1073260795.db2.gz MJJYLFGBKSNGFM-UHFFFAOYSA-N 1 0 396.513 -0.675 20 0 GBADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC000521247930 1073260688 /nfs/dbraw/zinc/26/06/88/1073260688.db2.gz CAFIRULRCIBDAA-UHFFFAOYSA-N 1 0 377.445 -0.630 20 0 GBADRO CN(C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H](CO)Cc1ccccc1 ZINC000521272875 1073263189 /nfs/dbraw/zinc/26/31/89/1073263189.db2.gz HHVOFRVQVLCJIE-KRWDZBQOSA-N 1 0 398.467 -0.113 20 0 GBADRO CN(C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@H](CO)Cc1ccccc1 ZINC000521272883 1073263223 /nfs/dbraw/zinc/26/32/23/1073263223.db2.gz HHVOFRVQVLCJIE-QGZVFWFLSA-N 1 0 398.467 -0.113 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCN2C1=O ZINC000521273104 1073262455 /nfs/dbraw/zinc/26/24/55/1073262455.db2.gz KZXNHUNFJHSZGX-GDBMZVCRSA-N 1 0 392.481 -0.241 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCN2C1=O ZINC000521273106 1073262378 /nfs/dbraw/zinc/26/23/78/1073262378.db2.gz KZXNHUNFJHSZGX-GOEBONIOSA-N 1 0 392.481 -0.241 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCN2C1=O ZINC000521273107 1073262442 /nfs/dbraw/zinc/26/24/42/1073262442.db2.gz KZXNHUNFJHSZGX-HOCLYGCPSA-N 1 0 392.481 -0.241 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CCN2C1=O ZINC000521273108 1073262661 /nfs/dbraw/zinc/26/26/61/1073262661.db2.gz KZXNHUNFJHSZGX-ZBFHGGJFSA-N 1 0 392.481 -0.241 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000521273151 1073263259 /nfs/dbraw/zinc/26/32/59/1073263259.db2.gz LGTINHKYSCWPBN-GXSJLCMTSA-N 1 0 380.426 -0.766 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000521273154 1073262339 /nfs/dbraw/zinc/26/23/39/1073262339.db2.gz LGTINHKYSCWPBN-ONGXEEELSA-N 1 0 380.426 -0.766 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCCn2ccnn2)c2ccccc2)CC1 ZINC000521281733 1073262280 /nfs/dbraw/zinc/26/22/80/1073262280.db2.gz WHKBRLKKEMLHJQ-GOSISDBHSA-N 1 0 399.499 -0.111 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCCn2ccnn2)c2ccccc2)CC1 ZINC000521281734 1073262324 /nfs/dbraw/zinc/26/23/24/1073262324.db2.gz WHKBRLKKEMLHJQ-SFHVURJKSA-N 1 0 399.499 -0.111 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000521282010 1073262749 /nfs/dbraw/zinc/26/27/49/1073262749.db2.gz DHFNTKSKVVZCRW-GDBMZVCRSA-N 1 0 376.505 -0.227 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000521282015 1073262652 /nfs/dbraw/zinc/26/26/52/1073262652.db2.gz DHFNTKSKVVZCRW-GOEBONIOSA-N 1 0 376.505 -0.227 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000521282016 1073262429 /nfs/dbraw/zinc/26/24/29/1073262429.db2.gz DHFNTKSKVVZCRW-HOCLYGCPSA-N 1 0 376.505 -0.227 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000521282018 1073262687 /nfs/dbraw/zinc/26/26/87/1073262687.db2.gz DHFNTKSKVVZCRW-ZBFHGGJFSA-N 1 0 376.505 -0.227 20 0 GBADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000521282728 1073262696 /nfs/dbraw/zinc/26/26/96/1073262696.db2.gz RJANSAWFNQLMBU-INIZCTEOSA-N 1 0 380.489 -0.127 20 0 GBADRO COCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000521282729 1073262355 /nfs/dbraw/zinc/26/23/55/1073262355.db2.gz RJANSAWFNQLMBU-MRXNPFEDSA-N 1 0 380.489 -0.127 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000521341949 1073265114 /nfs/dbraw/zinc/26/51/14/1073265114.db2.gz HAILDBIAVIHAOS-INIZCTEOSA-N 1 0 387.444 -0.190 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000521341950 1073265153 /nfs/dbraw/zinc/26/51/53/1073265153.db2.gz HAILDBIAVIHAOS-MRXNPFEDSA-N 1 0 387.444 -0.190 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000521342799 1073265330 /nfs/dbraw/zinc/26/53/30/1073265330.db2.gz BUUFIDTYAQTUDT-UHFFFAOYSA-N 1 0 399.517 -0.063 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000521343053 1073265437 /nfs/dbraw/zinc/26/54/37/1073265437.db2.gz OWMSFCFJOGYPHF-UHFFFAOYSA-N 1 0 393.488 -0.090 20 0 GBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000521348929 1073266572 /nfs/dbraw/zinc/26/65/72/1073266572.db2.gz XYYIUNOXFNHFST-FCGDIQPGSA-N 1 0 398.548 -0.679 20 0 GBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000521348930 1073266621 /nfs/dbraw/zinc/26/66/21/1073266621.db2.gz XYYIUNOXFNHFST-NCXUSEDFSA-N 1 0 398.548 -0.679 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000521368919 1072236325 /nfs/dbraw/zinc/23/63/25/1072236325.db2.gz WURLQZKBILPXPJ-UHFFFAOYSA-N 1 0 397.501 -0.241 20 0 GBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521371590 1073267811 /nfs/dbraw/zinc/26/78/11/1073267811.db2.gz HWJPBDLILCHOBO-KBPBESRZSA-N 1 0 389.456 -0.853 20 0 GBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521371591 1073267721 /nfs/dbraw/zinc/26/77/21/1073267721.db2.gz HWJPBDLILCHOBO-KGLIPLIRSA-N 1 0 389.456 -0.853 20 0 GBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521371592 1073267741 /nfs/dbraw/zinc/26/77/41/1073267741.db2.gz HWJPBDLILCHOBO-UONOGXRCSA-N 1 0 389.456 -0.853 20 0 GBADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521371593 1073267754 /nfs/dbraw/zinc/26/77/54/1073267754.db2.gz HWJPBDLILCHOBO-ZIAGYGMSSA-N 1 0 389.456 -0.853 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000521410698 1073269203 /nfs/dbraw/zinc/26/92/03/1073269203.db2.gz OJCPYDUPXPYWDD-HLLBOEOZSA-N 1 0 393.492 -0.522 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000521410700 1073269288 /nfs/dbraw/zinc/26/92/88/1073269288.db2.gz OJCPYDUPXPYWDD-UXLLHSPISA-N 1 0 393.492 -0.522 20 0 GBADRO C[C@H](OCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000521412824 1073269014 /nfs/dbraw/zinc/26/90/14/1073269014.db2.gz FXZZRDHKMMDBTG-HNNXBMFYSA-N 1 0 376.457 -0.182 20 0 GBADRO C[C@@H](OCCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000521412825 1073269344 /nfs/dbraw/zinc/26/93/44/1073269344.db2.gz FXZZRDHKMMDBTG-OAHLLOKOSA-N 1 0 376.457 -0.182 20 0 GBADRO O=C(CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000521412896 1073268955 /nfs/dbraw/zinc/26/89/55/1073268955.db2.gz VBYKGHVORITPLM-UHFFFAOYSA-N 1 0 387.484 -0.433 20 0 GBADRO CCN(CCCNC(=O)NCCCC[NH+]1CCN(C)CC1)S(C)(=O)=O ZINC000521412928 530188520 /nfs/dbraw/zinc/18/85/20/530188520.db2.gz BICPLEFSFAAQAE-UHFFFAOYSA-N 1 0 377.555 -0.015 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC000521414152 1073268908 /nfs/dbraw/zinc/26/89/08/1073268908.db2.gz YEPSRDXXMGBTKH-HNNXBMFYSA-N 1 0 384.440 -0.226 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC000521414153 1073269336 /nfs/dbraw/zinc/26/93/36/1073269336.db2.gz YEPSRDXXMGBTKH-OAHLLOKOSA-N 1 0 384.440 -0.226 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CCN1CC(C)(C)O ZINC000521416982 1073269256 /nfs/dbraw/zinc/26/92/56/1073269256.db2.gz HSHTZZJMGAXQAV-KBPBESRZSA-N 1 0 380.489 -0.583 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000521417641 1073269766 /nfs/dbraw/zinc/26/97/66/1073269766.db2.gz CQPRNKCRLPWFGY-CVEARBPZSA-N 1 0 380.489 -0.412 20 0 GBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000521417642 1073269602 /nfs/dbraw/zinc/26/96/02/1073269602.db2.gz CQPRNKCRLPWFGY-HOTGVXAUSA-N 1 0 380.489 -0.412 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000521417643 1073270095 /nfs/dbraw/zinc/27/00/95/1073270095.db2.gz CQPRNKCRLPWFGY-HZPDHXFCSA-N 1 0 380.489 -0.412 20 0 GBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000521417644 1073269754 /nfs/dbraw/zinc/26/97/54/1073269754.db2.gz CQPRNKCRLPWFGY-JKSUJKDBSA-N 1 0 380.489 -0.412 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000521431239 1073270065 /nfs/dbraw/zinc/27/00/65/1073270065.db2.gz KMKDFAKMWSJXAZ-ALOPSCKCSA-N 1 0 386.500 -0.080 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000521436239 1073270229 /nfs/dbraw/zinc/27/02/29/1073270229.db2.gz QBZCZGLRAQJICJ-UONOGXRCSA-N 1 0 394.447 -0.195 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000521436240 1073269555 /nfs/dbraw/zinc/26/95/55/1073269555.db2.gz QBZCZGLRAQJICJ-ZIAGYGMSSA-N 1 0 394.447 -0.195 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000521441243 1073270010 /nfs/dbraw/zinc/27/00/10/1073270010.db2.gz IBCMSZABVYCKHS-UHFFFAOYSA-N 1 0 398.529 -0.529 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3nc(CN4CCOCC4)cs3)CCN2C1=O ZINC000521464269 1073270809 /nfs/dbraw/zinc/27/08/09/1073270809.db2.gz PSIXUJQACFOHOT-CHWSQXEVSA-N 1 0 380.474 -0.249 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3nc(CN4CCOCC4)cs3)CCN2C1=O ZINC000521464270 1073270616 /nfs/dbraw/zinc/27/06/16/1073270616.db2.gz PSIXUJQACFOHOT-OLZOCXBDSA-N 1 0 380.474 -0.249 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3nc(CN4CCOCC4)cs3)CCN2C1=O ZINC000521464271 1073270785 /nfs/dbraw/zinc/27/07/85/1073270785.db2.gz PSIXUJQACFOHOT-QWHCGFSZSA-N 1 0 380.474 -0.249 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3nc(CN4CCOCC4)cs3)CCN2C1=O ZINC000521464272 1073270793 /nfs/dbraw/zinc/27/07/93/1073270793.db2.gz PSIXUJQACFOHOT-STQMWFEESA-N 1 0 380.474 -0.249 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(C)C)C(=O)C2)CC1 ZINC000521471607 1073271264 /nfs/dbraw/zinc/27/12/64/1073271264.db2.gz KEFUCNRAMFGDJC-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO COC(=O)[C@]1(C)CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000521471608 1073271274 /nfs/dbraw/zinc/27/12/74/1073271274.db2.gz KEHRLYHDYWJZBJ-DNVCBOLYSA-N 1 0 382.505 -0.212 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000521472764 1073271180 /nfs/dbraw/zinc/27/11/80/1073271180.db2.gz DZPNDYWSAHKHKJ-AEFFLSMTSA-N 1 0 395.548 -0.249 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000521472765 1073271601 /nfs/dbraw/zinc/27/16/01/1073271601.db2.gz DZPNDYWSAHKHKJ-FUHWJXTLSA-N 1 0 395.548 -0.249 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000521472766 1073271468 /nfs/dbraw/zinc/27/14/68/1073271468.db2.gz DZPNDYWSAHKHKJ-SJLPKXTDSA-N 1 0 395.548 -0.249 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000521472767 1073271218 /nfs/dbraw/zinc/27/12/18/1073271218.db2.gz DZPNDYWSAHKHKJ-WMZOPIPTSA-N 1 0 395.548 -0.249 20 0 GBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000521474048 1073951165 /nfs/dbraw/zinc/95/11/65/1073951165.db2.gz KERXKKVINGDYMZ-IRXDYDNUSA-N 1 0 377.489 -0.198 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000521474608 1073951177 /nfs/dbraw/zinc/95/11/77/1073951177.db2.gz QFIJQXSJNRLCQC-UHFFFAOYSA-N 1 0 396.517 -0.286 20 0 GBADRO Cc1cnc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000521490982 1073271358 /nfs/dbraw/zinc/27/13/58/1073271358.db2.gz AXRBXFQBKRTWSG-UHFFFAOYSA-N 1 0 379.486 -0.166 20 0 GBADRO CS(=O)(=O)NCCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000521492575 1073271244 /nfs/dbraw/zinc/27/12/44/1073271244.db2.gz 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KEHUETXJXCKJHK-OSAQELSMSA-N 1 0 375.404 -0.685 20 0 GBADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000521860120 1073280782 /nfs/dbraw/zinc/28/07/82/1073280782.db2.gz VMZISQWFVGCRKZ-UHFFFAOYSA-N 1 0 398.460 -0.520 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000521885707 1073281643 /nfs/dbraw/zinc/28/16/43/1073281643.db2.gz XBAMODHFPZLEJU-UHFFFAOYSA-N 1 0 378.477 -0.561 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)nn1 ZINC000521900527 1073282352 /nfs/dbraw/zinc/28/23/52/1073282352.db2.gz PCIHOELEMXQDEY-INIZCTEOSA-N 1 0 383.456 -0.073 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)nn1 ZINC000521900528 1073282196 /nfs/dbraw/zinc/28/21/96/1073282196.db2.gz PCIHOELEMXQDEY-MRXNPFEDSA-N 1 0 383.456 -0.073 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CCN2C1=O ZINC000521900584 1073282383 /nfs/dbraw/zinc/28/23/83/1073282383.db2.gz RCJQEQJNBWLMMN-NEPJUHHUSA-N 1 0 393.494 -0.240 20 0 GBADRO 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ZINC000523890943 1073570493 /nfs/dbraw/zinc/57/04/93/1073570493.db2.gz YMXXQNHIZLKDEB-KRWDZBQOSA-N 1 0 395.548 -0.153 20 0 GBADRO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000523890944 1073570344 /nfs/dbraw/zinc/57/03/44/1073570344.db2.gz YMXXQNHIZLKDEB-QGZVFWFLSA-N 1 0 395.548 -0.153 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)(C)C ZINC000523910742 1073569819 /nfs/dbraw/zinc/56/98/19/1073569819.db2.gz XTRDDGGVJGOVPI-AWEZNQCLSA-N 1 0 380.497 -0.107 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)(C)C ZINC000523910743 1073570273 /nfs/dbraw/zinc/57/02/73/1073570273.db2.gz XTRDDGGVJGOVPI-CQSZACIVSA-N 1 0 380.497 -0.107 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000523912140 1073570017 /nfs/dbraw/zinc/57/00/17/1073570017.db2.gz HYCFLIDOXITEBT-UHFFFAOYSA-N 1 0 382.486 -0.123 20 0 GBADRO CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000523939935 1073570922 /nfs/dbraw/zinc/57/09/22/1073570922.db2.gz 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CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000524017329 1073573398 /nfs/dbraw/zinc/57/33/98/1073573398.db2.gz HDWNKADIVVCCAF-KRWDZBQOSA-N 1 0 392.456 -0.071 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000524017330 1073573255 /nfs/dbraw/zinc/57/32/55/1073573255.db2.gz HDWNKADIVVCCAF-QGZVFWFLSA-N 1 0 392.456 -0.071 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC000524031878 1073574247 /nfs/dbraw/zinc/57/42/47/1073574247.db2.gz NBIQAEFCLVKFFC-UHFFFAOYSA-N 1 0 397.520 -0.134 20 0 GBADRO Cn1c2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc2n(C)c1=O ZINC000524032319 1073574192 /nfs/dbraw/zinc/57/41/92/1073574192.db2.gz NDLICYQEHLSSCH-UHFFFAOYSA-N 1 0 389.456 -0.222 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C[NH+]1CCN(C)CC1 ZINC000524035050 1073574029 /nfs/dbraw/zinc/57/40/29/1073574029.db2.gz PDALOBWVDVXGAF-AWEZNQCLSA-N 1 0 386.460 -0.400 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)C[NH+]1CCN(C)CC1 ZINC000524035051 1073574485 /nfs/dbraw/zinc/57/44/85/1073574485.db2.gz PDALOBWVDVXGAF-CQSZACIVSA-N 1 0 386.460 -0.400 20 0 GBADRO COCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000524035822 1073573886 /nfs/dbraw/zinc/57/38/86/1073573886.db2.gz FPTKBZHPRPWACS-UHFFFAOYSA-N 1 0 385.490 -0.324 20 0 GBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524040824 1073574165 /nfs/dbraw/zinc/57/41/65/1073574165.db2.gz WZRBNVSYRQHTSE-GFCCVEGCSA-N 1 0 394.453 -0.061 20 0 GBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524040825 1073573846 /nfs/dbraw/zinc/57/38/46/1073573846.db2.gz WZRBNVSYRQHTSE-LBPRGKRZSA-N 1 0 394.453 -0.061 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000524106737 1073575061 /nfs/dbraw/zinc/57/50/61/1073575061.db2.gz FWRYZZGKHWAAIX-HNNXBMFYSA-N 1 0 387.440 -0.034 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000524106741 1073575004 /nfs/dbraw/zinc/57/50/04/1073575004.db2.gz FWRYZZGKHWAAIX-OAHLLOKOSA-N 1 0 387.440 -0.034 20 0 GBADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000524108968 1073575265 /nfs/dbraw/zinc/57/52/65/1073575265.db2.gz GTNQOMASGQZTFY-HNNXBMFYSA-N 1 0 389.456 -0.251 20 0 GBADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000524108969 1073575031 /nfs/dbraw/zinc/57/50/31/1073575031.db2.gz GTNQOMASGQZTFY-OAHLLOKOSA-N 1 0 389.456 -0.251 20 0 GBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1C ZINC000524109953 1073574865 /nfs/dbraw/zinc/57/48/65/1073574865.db2.gz FMMPIAFPMJRAQP-HNNXBMFYSA-N 1 0 389.456 -0.251 20 0 GBADRO CNC(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000524109954 1073575110 /nfs/dbraw/zinc/57/51/10/1073575110.db2.gz FMMPIAFPMJRAQP-OAHLLOKOSA-N 1 0 389.456 -0.251 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000524121121 1073575203 /nfs/dbraw/zinc/57/52/03/1073575203.db2.gz LAJHTWPEHWDFSV-GFCCVEGCSA-N 1 0 385.490 -0.750 20 0 GBADRO CNC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1C ZINC000524121127 1073575084 /nfs/dbraw/zinc/57/50/84/1073575084.db2.gz LAJHTWPEHWDFSV-LBPRGKRZSA-N 1 0 385.490 -0.750 20 0 GBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1OCC(N)=O ZINC000524132523 1073575967 /nfs/dbraw/zinc/57/59/67/1073575967.db2.gz IAQSHBSENHXONP-AWEZNQCLSA-N 1 0 392.456 -0.124 20 0 GBADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1OCC(N)=O ZINC000524132526 1073576496 /nfs/dbraw/zinc/57/64/96/1073576496.db2.gz IAQSHBSENHXONP-CQSZACIVSA-N 1 0 392.456 -0.124 20 0 GBADRO CCC1(CC)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524133641 1073575908 /nfs/dbraw/zinc/57/59/08/1073575908.db2.gz UIOHBXUCTWCHMR-CYBMUJFWSA-N 1 0 381.477 -0.199 20 0 GBADRO CCC1(CC)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000524133647 1073576479 /nfs/dbraw/zinc/57/64/79/1073576479.db2.gz UIOHBXUCTWCHMR-ZDUSSCGKSA-N 1 0 381.477 -0.199 20 0 GBADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000524135255 1073576219 /nfs/dbraw/zinc/57/62/19/1073576219.db2.gz XKIPICQWNASDML-KPZWWZAWSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524135256 1073576394 /nfs/dbraw/zinc/57/63/94/1073576394.db2.gz XKIPICQWNASDML-KZULUSFZSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000524135257 1073576189 /nfs/dbraw/zinc/57/61/89/1073576189.db2.gz XKIPICQWNASDML-SGTLLEGYSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524135258 1073575807 /nfs/dbraw/zinc/57/58/07/1073575807.db2.gz XKIPICQWNASDML-XIKOKIGWSA-N 1 0 379.461 -0.590 20 0 GBADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136391 1073575523 /nfs/dbraw/zinc/57/55/23/1073575523.db2.gz YVFAROBPSNUHGH-KBPBESRZSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136392 1073575237 /nfs/dbraw/zinc/57/52/37/1073575237.db2.gz YVFAROBPSNUHGH-KGLIPLIRSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136393 1073575399 /nfs/dbraw/zinc/57/53/99/1073575399.db2.gz YVFAROBPSNUHGH-UONOGXRCSA-N 1 0 393.488 -0.057 20 0 GBADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000524136394 1073575934 /nfs/dbraw/zinc/57/59/34/1073575934.db2.gz YVFAROBPSNUHGH-ZIAGYGMSSA-N 1 0 393.488 -0.057 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000524146704 530465459 /nfs/dbraw/zinc/46/54/59/530465459.db2.gz XIGDVMQXKYXGMX-UHFFFAOYSA-N 1 0 388.515 -0.351 20 0 GBADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524206778 1073577549 /nfs/dbraw/zinc/57/75/49/1073577549.db2.gz KXDYKOFZIAOQEK-AWEZNQCLSA-N 1 0 382.490 -0.861 20 0 GBADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000524206779 1073577570 /nfs/dbraw/zinc/57/75/70/1073577570.db2.gz KXDYKOFZIAOQEK-CQSZACIVSA-N 1 0 382.490 -0.861 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000524217750 1073578457 /nfs/dbraw/zinc/57/84/57/1073578457.db2.gz JYJFDPCRLCGAGF-CYBMUJFWSA-N 1 0 387.440 -0.194 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000524217751 1073578547 /nfs/dbraw/zinc/57/85/47/1073578547.db2.gz JYJFDPCRLCGAGF-ZDUSSCGKSA-N 1 0 387.440 -0.194 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000524220081 1073578040 /nfs/dbraw/zinc/57/80/40/1073578040.db2.gz UENBBNIHTVEDOZ-GFCCVEGCSA-N 1 0 398.485 -0.340 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000524220082 1073578370 /nfs/dbraw/zinc/57/83/70/1073578370.db2.gz UENBBNIHTVEDOZ-LBPRGKRZSA-N 1 0 398.485 -0.340 20 0 GBADRO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000524220095 1073578312 /nfs/dbraw/zinc/57/83/12/1073578312.db2.gz UVFOBLQIGWSJGX-HNNXBMFYSA-N 1 0 388.534 -0.248 20 0 GBADRO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000524220096 1073578145 /nfs/dbraw/zinc/57/81/45/1073578145.db2.gz UVFOBLQIGWSJGX-OAHLLOKOSA-N 1 0 388.534 -0.248 20 0 GBADRO COCC[N@H+](C)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000524234459 530465478 /nfs/dbraw/zinc/46/54/78/530465478.db2.gz RBHMMTMJQKUNHA-UHFFFAOYSA-N 1 0 377.438 -0.281 20 0 GBADRO CN(CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1cccnc1 ZINC000524263975 1073578567 /nfs/dbraw/zinc/57/85/67/1073578567.db2.gz OHBYVRHAYGTLCG-AWEZNQCLSA-N 1 0 397.501 -0.594 20 0 GBADRO CN(CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1cccnc1 ZINC000524263976 1073577973 /nfs/dbraw/zinc/57/79/73/1073577973.db2.gz OHBYVRHAYGTLCG-CQSZACIVSA-N 1 0 397.501 -0.594 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000524264513 530465560 /nfs/dbraw/zinc/46/55/60/530465560.db2.gz NRYFEQWACRIYPV-GFCCVEGCSA-N 1 0 388.515 -0.270 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000524264514 530465542 /nfs/dbraw/zinc/46/55/42/530465542.db2.gz NRYFEQWACRIYPV-LBPRGKRZSA-N 1 0 388.515 -0.270 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000524319131 1073580966 /nfs/dbraw/zinc/58/09/66/1073580966.db2.gz OBBJDAUAZLKRHS-GASCZTMLSA-N 1 0 380.493 -0.262 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000524319132 1073580891 /nfs/dbraw/zinc/58/08/91/1073580891.db2.gz OBBJDAUAZLKRHS-GJZGRUSLSA-N 1 0 380.493 -0.262 20 0 GBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000524319133 1073581122 /nfs/dbraw/zinc/58/11/22/1073581122.db2.gz OBBJDAUAZLKRHS-HUUCEWRRSA-N 1 0 380.493 -0.262 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000524351675 1073582097 /nfs/dbraw/zinc/58/20/97/1073582097.db2.gz NISZUZZHZQNQSJ-LLVKDONJSA-N 1 0 378.433 -0.478 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000524351676 1073581937 /nfs/dbraw/zinc/58/19/37/1073581937.db2.gz NISZUZZHZQNQSJ-NSHDSACASA-N 1 0 378.433 -0.478 20 0 GBADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCOCC1 ZINC000524388839 530465295 /nfs/dbraw/zinc/46/52/95/530465295.db2.gz OUQHNIGQGXBCBF-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C[NH+]1CCN(C)CC1 ZINC000524416870 1073583520 /nfs/dbraw/zinc/58/35/20/1073583520.db2.gz JUBXQLVCHVGBLR-CYBMUJFWSA-N 1 0 390.488 -0.811 20 0 GBADRO C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C[NH+]1CCN(C)CC1 ZINC000524416871 1073582790 /nfs/dbraw/zinc/58/27/90/1073582790.db2.gz JUBXQLVCHVGBLR-ZDUSSCGKSA-N 1 0 390.488 -0.811 20 0 GBADRO CC1CCC(NS(=O)(=O)CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000524418740 1073584525 /nfs/dbraw/zinc/58/45/25/1073584525.db2.gz BQOHRYCJEYHBEU-UHFFFAOYSA-N 1 0 388.534 -0.283 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000524418844 1073584568 /nfs/dbraw/zinc/58/45/68/1073584568.db2.gz IOEKVHFTERNXGM-HNNXBMFYSA-N 1 0 382.486 -0.208 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000524418845 1073584018 /nfs/dbraw/zinc/58/40/18/1073584018.db2.gz IOEKVHFTERNXGM-OAHLLOKOSA-N 1 0 382.486 -0.208 20 0 GBADRO CC1(C)NC(=O)N(CCCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000524419025 1073583157 /nfs/dbraw/zinc/58/31/57/1073583157.db2.gz RZOXQNLYCGDTCW-CYBMUJFWSA-N 1 0 381.477 -0.199 20 0 GBADRO CC1(C)NC(=O)N(CCCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000524419026 1073583378 /nfs/dbraw/zinc/58/33/78/1073583378.db2.gz RZOXQNLYCGDTCW-ZDUSSCGKSA-N 1 0 381.477 -0.199 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000524419537 1073583791 /nfs/dbraw/zinc/58/37/91/1073583791.db2.gz PDQSCXUXKGIWQI-HNNXBMFYSA-N 1 0 382.486 -0.208 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000524419538 1073584660 /nfs/dbraw/zinc/58/46/60/1073584660.db2.gz PDQSCXUXKGIWQI-OAHLLOKOSA-N 1 0 382.486 -0.208 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000524419710 1073584271 /nfs/dbraw/zinc/58/42/71/1073584271.db2.gz YJNOEIGJMBARDX-HNNXBMFYSA-N 1 0 388.534 -0.104 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000524419711 1073584195 /nfs/dbraw/zinc/58/41/95/1073584195.db2.gz YJNOEIGJMBARDX-OAHLLOKOSA-N 1 0 388.534 -0.104 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cn1C ZINC000524420882 1073584470 /nfs/dbraw/zinc/58/44/70/1073584470.db2.gz BOKJNRNDTOVSHS-CYBMUJFWSA-N 1 0 386.522 -0.851 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cn1C ZINC000524420883 1073584622 /nfs/dbraw/zinc/58/46/22/1073584622.db2.gz BOKJNRNDTOVSHS-ZDUSSCGKSA-N 1 0 386.522 -0.851 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(CC[NH+](C)C)CC2)cn1C ZINC000524430226 1073584324 /nfs/dbraw/zinc/58/43/24/1073584324.db2.gz IVJFKTPVCFUJFN-UHFFFAOYSA-N 1 0 386.522 -0.897 20 0 GBADRO CC(C)(O)C[NH+]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000524435919 1073583970 /nfs/dbraw/zinc/58/39/70/1073583970.db2.gz VDLRIWHDRNHTTE-UHFFFAOYSA-N 1 0 378.473 -0.048 20 0 GBADRO CC(C)(O)C[NH+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000524437080 1073583863 /nfs/dbraw/zinc/58/38/63/1073583863.db2.gz XPAGUFKYICRAQO-UHFFFAOYSA-N 1 0 394.501 -0.046 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000524490441 1073585796 /nfs/dbraw/zinc/58/57/96/1073585796.db2.gz QVWHMEKTCXJAIB-CYBMUJFWSA-N 1 0 377.445 -0.774 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000524490442 1073585706 /nfs/dbraw/zinc/58/57/06/1073585706.db2.gz QVWHMEKTCXJAIB-ZDUSSCGKSA-N 1 0 377.445 -0.774 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000524498888 1073586880 /nfs/dbraw/zinc/58/68/80/1073586880.db2.gz HYCXWCVAMLUIHR-UHFFFAOYSA-N 1 0 387.440 -0.309 20 0 GBADRO O=C(NCCN1CCN(c2ncccn2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000524503709 1073587338 /nfs/dbraw/zinc/58/73/38/1073587338.db2.gz IDAQRMYWBUPRHU-UHFFFAOYSA-N 1 0 387.488 -0.138 20 0 GBADRO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000524527005 1073587920 /nfs/dbraw/zinc/58/79/20/1073587920.db2.gz OFSALPHSDZWORZ-CYBMUJFWSA-N 1 0 386.456 -0.086 20 0 GBADRO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000524527006 1073588339 /nfs/dbraw/zinc/58/83/39/1073588339.db2.gz OFSALPHSDZWORZ-ZDUSSCGKSA-N 1 0 386.456 -0.086 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000524561447 1073589963 /nfs/dbraw/zinc/58/99/63/1073589963.db2.gz JUKLAGVPXKEQQI-INIZCTEOSA-N 1 0 393.440 -0.010 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 ZINC000524561448 1073590394 /nfs/dbraw/zinc/59/03/94/1073590394.db2.gz JUKLAGVPXKEQQI-MRXNPFEDSA-N 1 0 393.440 -0.010 20 0 GBADRO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000524566838 1073589439 /nfs/dbraw/zinc/58/94/39/1073589439.db2.gz CRDGRRMKGISYNQ-GDBMZVCRSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000524566840 1073588784 /nfs/dbraw/zinc/58/87/84/1073588784.db2.gz CRDGRRMKGISYNQ-GOEBONIOSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000524566842 1073589098 /nfs/dbraw/zinc/58/90/98/1073589098.db2.gz CRDGRRMKGISYNQ-HOCLYGCPSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000524566845 1073589075 /nfs/dbraw/zinc/58/90/75/1073589075.db2.gz CRDGRRMKGISYNQ-ZBFHGGJFSA-N 1 0 380.489 -0.269 20 0 GBADRO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000524597144 1073592200 /nfs/dbraw/zinc/59/22/00/1073592200.db2.gz LSMZDEQKSDYTGP-UHFFFAOYSA-N 1 0 381.477 -0.279 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000524610327 1073592336 /nfs/dbraw/zinc/59/23/36/1073592336.db2.gz MWZPNAAWMVORPB-HNNXBMFYSA-N 1 0 387.440 -0.078 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000524610328 1073592014 /nfs/dbraw/zinc/59/20/14/1073592014.db2.gz MWZPNAAWMVORPB-OAHLLOKOSA-N 1 0 387.440 -0.078 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000524617156 1073591846 /nfs/dbraw/zinc/59/18/46/1073591846.db2.gz DJVQTGVQDPRILL-AWEZNQCLSA-N 1 0 375.429 -0.008 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000524617157 1073591917 /nfs/dbraw/zinc/59/19/17/1073591917.db2.gz DJVQTGVQDPRILL-CQSZACIVSA-N 1 0 375.429 -0.008 20 0 GBADRO C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000524652585 1073593917 /nfs/dbraw/zinc/59/39/17/1073593917.db2.gz TVOZCZZDGMLESD-GFCCVEGCSA-N 1 0 376.417 -0.089 20 0 GBADRO C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000524652586 1073593960 /nfs/dbraw/zinc/59/39/60/1073593960.db2.gz TVOZCZZDGMLESD-LBPRGKRZSA-N 1 0 376.417 -0.089 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000524676091 1073593752 /nfs/dbraw/zinc/59/37/52/1073593752.db2.gz FYGAUAXNZOEEOB-UHFFFAOYSA-N 1 0 375.429 -0.213 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000524681582 1073593795 /nfs/dbraw/zinc/59/37/95/1073593795.db2.gz NVASOLULDABVNV-INIZCTEOSA-N 1 0 387.444 -0.190 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000524681583 1073593952 /nfs/dbraw/zinc/59/39/52/1073593952.db2.gz NVASOLULDABVNV-MRXNPFEDSA-N 1 0 387.444 -0.190 20 0 GBADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000524682199 1073593766 /nfs/dbraw/zinc/59/37/66/1073593766.db2.gz NSZPLJALOSJEQO-HNNXBMFYSA-N 1 0 392.456 -0.302 20 0 GBADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000524682200 1073593772 /nfs/dbraw/zinc/59/37/72/1073593772.db2.gz NSZPLJALOSJEQO-OAHLLOKOSA-N 1 0 392.456 -0.302 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000524682384 1073594230 /nfs/dbraw/zinc/59/42/30/1073594230.db2.gz XPJXJRBMJWGTHA-INIZCTEOSA-N 1 0 389.456 -0.430 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000524682385 1073593824 /nfs/dbraw/zinc/59/38/24/1073593824.db2.gz XPJXJRBMJWGTHA-MRXNPFEDSA-N 1 0 389.456 -0.430 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000524685059 1073594171 /nfs/dbraw/zinc/59/41/71/1073594171.db2.gz ZIKZQTUXFMIXJD-UHFFFAOYSA-N 1 0 377.449 -0.273 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000524697061 1073594543 /nfs/dbraw/zinc/59/45/43/1073594543.db2.gz XWHQOUXQNPZPKF-UHFFFAOYSA-N 1 0 388.472 -0.101 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000524722138 1073594623 /nfs/dbraw/zinc/59/46/23/1073594623.db2.gz IDLIVVMQNNOTFF-INIZCTEOSA-N 1 0 392.504 -0.031 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000524722139 1073594933 /nfs/dbraw/zinc/59/49/33/1073594933.db2.gz IDLIVVMQNNOTFF-MRXNPFEDSA-N 1 0 392.504 -0.031 20 0 GBADRO Cn1ncc2c1ncn(CC(=O)NC[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)c2=O ZINC000524747868 1073597861 /nfs/dbraw/zinc/59/78/61/1073597861.db2.gz SGIORCWJUWDWKB-FQEVSTJZSA-N 1 0 396.451 -0.117 20 0 GBADRO Cn1ncc2c1ncn(CC(=O)NC[C@]1(O)CC[N@H+](Cc3ccccc3)C1)c2=O ZINC000524747869 1073598130 /nfs/dbraw/zinc/59/81/30/1073598130.db2.gz SGIORCWJUWDWKB-HXUWFJFHSA-N 1 0 396.451 -0.117 20 0 GBADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524748204 1073597994 /nfs/dbraw/zinc/59/79/94/1073597994.db2.gz VMOJSDXDLHCVFD-GOSISDBHSA-N 1 0 381.498 -0.530 20 0 GBADRO O=C(CN1CCS(=O)(=O)CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524748205 1073598160 /nfs/dbraw/zinc/59/81/60/1073598160.db2.gz VMOJSDXDLHCVFD-SFHVURJKSA-N 1 0 381.498 -0.530 20 0 GBADRO C[C@H]1C[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)S1 ZINC000524755013 1073597680 /nfs/dbraw/zinc/59/76/80/1073597680.db2.gz OVNQXRCCQLGYNM-HOTGVXAUSA-N 1 0 384.546 -0.185 20 0 GBADRO C[C@@H]1C[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)S1 ZINC000524755014 1073597841 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/nfs/dbraw/zinc/66/43/74/1073664374.db2.gz QVIBDPXMJOUCMX-CQSZACIVSA-N 1 0 393.492 -0.612 20 0 GBADRO CCC[NH+]1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000526964298 1073664173 /nfs/dbraw/zinc/66/41/73/1073664173.db2.gz JLZNUNWHQGZYSU-UHFFFAOYSA-N 1 0 393.492 -0.467 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1=O ZINC000527017488 1073665976 /nfs/dbraw/zinc/66/59/76/1073665976.db2.gz AIUXXEZKXNNIFK-CYBMUJFWSA-N 1 0 388.424 -0.075 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1=O ZINC000527017490 1073665790 /nfs/dbraw/zinc/66/57/90/1073665790.db2.gz AIUXXEZKXNNIFK-ZDUSSCGKSA-N 1 0 388.424 -0.075 20 0 GBADRO CCN1CCN(CC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C(=O)C1=O ZINC000527029271 1073666854 /nfs/dbraw/zinc/66/68/54/1073666854.db2.gz ZVJCLVDWOPCLFF-UHFFFAOYSA-N 1 0 375.429 -0.571 20 0 GBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCC1 ZINC000527103386 1073673978 /nfs/dbraw/zinc/67/39/78/1073673978.db2.gz NMRUMYTZNPNPLO-UHFFFAOYSA-N 1 0 389.522 -0.625 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000527121237 1073674770 /nfs/dbraw/zinc/67/47/70/1073674770.db2.gz LLZDRWKOIOYZNF-INIZCTEOSA-N 1 0 383.518 -0.177 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000527121238 1073674857 /nfs/dbraw/zinc/67/48/57/1073674857.db2.gz LLZDRWKOIOYZNF-MRXNPFEDSA-N 1 0 383.518 -0.177 20 0 GBADRO COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)nn1C ZINC000527146614 1073674573 /nfs/dbraw/zinc/67/45/73/1073674573.db2.gz UTJZGJOOQLEKAJ-LBPRGKRZSA-N 1 0 382.465 -0.424 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000527149397 1073675908 /nfs/dbraw/zinc/67/59/08/1073675908.db2.gz CJCPZHKZWRGJMP-AWEZNQCLSA-N 1 0 392.456 -0.205 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000527149402 1073675809 /nfs/dbraw/zinc/67/58/09/1073675809.db2.gz CJCPZHKZWRGJMP-CQSZACIVSA-N 1 0 392.456 -0.205 20 0 GBADRO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000527160795 1073675764 /nfs/dbraw/zinc/67/57/64/1073675764.db2.gz WLXYHFUHFPTXIF-ULQDDVLXSA-N 1 0 381.500 -0.123 20 0 GBADRO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000527160798 1073675630 /nfs/dbraw/zinc/67/56/30/1073675630.db2.gz WLXYHFUHFPTXIF-YESZJQIVSA-N 1 0 381.500 -0.123 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000527161388 1073675423 /nfs/dbraw/zinc/67/54/23/1073675423.db2.gz UMTKNZLTEDHPTL-BBRMVZONSA-N 1 0 390.406 -0.020 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000527161392 1073675458 /nfs/dbraw/zinc/67/54/58/1073675458.db2.gz UMTKNZLTEDHPTL-CJNGLKHVSA-N 1 0 390.406 -0.020 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000527161394 1073675591 /nfs/dbraw/zinc/67/55/91/1073675591.db2.gz UMTKNZLTEDHPTL-CZUORRHYSA-N 1 0 390.406 -0.020 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000527161396 1073675862 /nfs/dbraw/zinc/67/58/62/1073675862.db2.gz UMTKNZLTEDHPTL-XJKSGUPXSA-N 1 0 390.406 -0.020 20 0 GBADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC000527206223 1073677244 /nfs/dbraw/zinc/67/72/44/1073677244.db2.gz OXZBBVSLICWDJA-CYBMUJFWSA-N 1 0 388.472 -0.229 20 0 GBADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC000527206224 1073677358 /nfs/dbraw/zinc/67/73/58/1073677358.db2.gz OXZBBVSLICWDJA-ZDUSSCGKSA-N 1 0 388.472 -0.229 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cs1 ZINC000527210573 1073677490 /nfs/dbraw/zinc/67/74/90/1073677490.db2.gz JZOFOAYFHQMNMU-AWEZNQCLSA-N 1 0 399.542 -0.326 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cs1 ZINC000527210574 1073677266 /nfs/dbraw/zinc/67/72/66/1073677266.db2.gz JZOFOAYFHQMNMU-CQSZACIVSA-N 1 0 399.542 -0.326 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1CCC[N@H+](C)C1)C2 ZINC000527210797 1073677344 /nfs/dbraw/zinc/67/73/44/1073677344.db2.gz AIFZOSCFCHQASL-CYBMUJFWSA-N 1 0 379.465 -1.000 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000527210798 1073677250 /nfs/dbraw/zinc/67/72/50/1073677250.db2.gz AIFZOSCFCHQASL-ZDUSSCGKSA-N 1 0 379.465 -1.000 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000527211134 1073677527 /nfs/dbraw/zinc/67/75/27/1073677527.db2.gz OGYCAUAELAJVJV-CYBMUJFWSA-N 1 0 391.476 -0.858 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000527211135 1073677384 /nfs/dbraw/zinc/67/73/84/1073677384.db2.gz OGYCAUAELAJVJV-ZDUSSCGKSA-N 1 0 391.476 -0.858 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC(=O)N(C)C)cn2)CC1 ZINC000527322256 1073681622 /nfs/dbraw/zinc/68/16/22/1073681622.db2.gz YVSRJSRFGOODGY-UHFFFAOYSA-N 1 0 376.461 -0.956 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000527329776 1073681219 /nfs/dbraw/zinc/68/12/19/1073681219.db2.gz YYMOQVKNFDTVPL-UHFFFAOYSA-N 1 0 397.520 -0.867 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCC[NH+](C)C)CC2 ZINC000527353117 1073683144 /nfs/dbraw/zinc/68/31/44/1073683144.db2.gz YEBUPHPXNKXSAO-UHFFFAOYSA-N 1 0 382.486 -0.106 20 0 GBADRO CN(CC1([NH+](C)C)CCC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000527363772 1073682982 /nfs/dbraw/zinc/68/29/82/1073682982.db2.gz UICSFICDZYLLLY-UHFFFAOYSA-N 1 0 376.461 -0.234 20 0 GBADRO CC[C@@H]1CN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CC[N@@H+]1C[C@H](C)O ZINC000527382088 530287347 /nfs/dbraw/zinc/28/73/47/530287347.db2.gz IFXAXZOTTLTQRN-DZGCQCFKSA-N 1 0 376.523 -0.246 20 0 GBADRO CC[C@H]1CN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CC[N@@H+]1C[C@@H](C)O ZINC000527382089 530287132 /nfs/dbraw/zinc/28/71/32/530287132.db2.gz IFXAXZOTTLTQRN-HIFRSBDPSA-N 1 0 376.523 -0.246 20 0 GBADRO CC[C@@H]1CN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CC[N@@H+]1C[C@@H](C)O ZINC000527382090 530287213 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389.412 -0.542 20 0 GBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)c1=O ZINC000527441791 1073686001 /nfs/dbraw/zinc/68/60/01/1073686001.db2.gz ZRRJADQBEJADNG-UHFFFAOYSA-N 1 0 398.427 -0.094 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527446170 1073684062 /nfs/dbraw/zinc/68/40/62/1073684062.db2.gz FGIVTCXOWPTTBO-UHFFFAOYSA-N 1 0 391.428 -0.629 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000527446363 1073684288 /nfs/dbraw/zinc/68/42/88/1073684288.db2.gz MAJXTHCJXXIOIP-UHFFFAOYSA-N 1 0 398.485 -0.240 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000527446492 1073684040 /nfs/dbraw/zinc/68/40/40/1073684040.db2.gz RVIGDWVYNSKNPW-UHFFFAOYSA-N 1 0 387.440 -0.024 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000527446537 1073684936 /nfs/dbraw/zinc/68/49/36/1073684936.db2.gz QEBAOJLFUHECTI-UHFFFAOYSA-N 1 0 395.548 -0.155 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000527457346 1073685115 /nfs/dbraw/zinc/68/51/15/1073685115.db2.gz AOPLDZITNSDQQE-DLBZAZTESA-N 1 0 393.488 -0.330 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CS(N)(=O)=O)cn2)CC1 ZINC000527492528 1073687933 /nfs/dbraw/zinc/68/79/33/1073687933.db2.gz LHDCBZGOIQKUJP-HNNXBMFYSA-N 1 0 396.517 -0.204 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)CC1 ZINC000527492529 1073687775 /nfs/dbraw/zinc/68/77/75/1073687775.db2.gz LHDCBZGOIQKUJP-OAHLLOKOSA-N 1 0 396.517 -0.204 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1([NH+](C)C)CCC1)C2 ZINC000527501506 1073687024 /nfs/dbraw/zinc/68/70/24/1073687024.db2.gz DJYGVNDMVLKMSK-UHFFFAOYSA-N 1 0 379.465 -0.858 20 0 GBADRO C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1=CC[N@H+](C)CC1 ZINC000527501702 1073686808 /nfs/dbraw/zinc/68/68/08/1073686808.db2.gz SLCVRPGPIZZPSA-CYBMUJFWSA-N 1 0 391.476 -0.691 20 0 GBADRO 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CC[NH+]1CCN(CCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000530819282 1073783323 /nfs/dbraw/zinc/78/33/23/1073783323.db2.gz DMGUEYLZGBBGNC-INIZCTEOSA-N 1 0 390.550 -0.381 20 0 GBADRO CC[NH+]1CCN(CCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000530819283 1073783600 /nfs/dbraw/zinc/78/36/00/1073783600.db2.gz DMGUEYLZGBBGNC-MRXNPFEDSA-N 1 0 390.550 -0.381 20 0 GBADRO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000530824177 1073784011 /nfs/dbraw/zinc/78/40/11/1073784011.db2.gz KLNDHWPEUGSLST-AWEZNQCLSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000530824184 1073784652 /nfs/dbraw/zinc/78/46/52/1073784652.db2.gz KLNDHWPEUGSLST-CQSZACIVSA-N 1 0 388.534 -0.235 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)c(=O)n2C ZINC000530827192 1073784228 /nfs/dbraw/zinc/78/42/28/1073784228.db2.gz LTGGUYTUCZDPMJ-AWEZNQCLSA-N 1 0 388.472 -0.376 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)c(=O)n2C ZINC000530827193 1073784617 /nfs/dbraw/zinc/78/46/17/1073784617.db2.gz LTGGUYTUCZDPMJ-CQSZACIVSA-N 1 0 388.472 -0.376 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000530859217 1073785033 /nfs/dbraw/zinc/78/50/33/1073785033.db2.gz AXXIJAVCGLVLMT-GFCCVEGCSA-N 1 0 387.506 -0.723 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000530859218 1073785139 /nfs/dbraw/zinc/78/51/39/1073785139.db2.gz AXXIJAVCGLVLMT-LBPRGKRZSA-N 1 0 387.506 -0.723 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000530865663 1073785248 /nfs/dbraw/zinc/78/52/48/1073785248.db2.gz IFLVEHXAPZYXEI-INIZCTEOSA-N 1 0 376.505 -0.483 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000530865664 1073785418 /nfs/dbraw/zinc/78/54/18/1073785418.db2.gz IFLVEHXAPZYXEI-MRXNPFEDSA-N 1 0 376.505 -0.483 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000530871254 1073784926 /nfs/dbraw/zinc/78/49/26/1073784926.db2.gz UTWMUPFOLSAFLD-AWEZNQCLSA-N 1 0 380.497 -0.239 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000530881787 1073785821 /nfs/dbraw/zinc/78/58/21/1073785821.db2.gz AQQGSRBXOQMXFP-KRWDZBQOSA-N 1 0 395.529 -0.274 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000530881788 1073785674 /nfs/dbraw/zinc/78/56/74/1073785674.db2.gz AQQGSRBXOQMXFP-QGZVFWFLSA-N 1 0 395.529 -0.274 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000530916699 530081336 /nfs/dbraw/zinc/08/13/36/530081336.db2.gz PWRLOHNIIKWBFB-HNNXBMFYSA-N 1 0 375.539 -0.263 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000530916716 530081448 /nfs/dbraw/zinc/08/14/48/530081448.db2.gz PWRLOHNIIKWBFB-OAHLLOKOSA-N 1 0 375.539 -0.263 20 0 GBADRO CC(C)OC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000530925262 1073786404 /nfs/dbraw/zinc/78/64/04/1073786404.db2.gz NDUFEVCZUNCLCX-UHFFFAOYSA-N 1 0 396.532 -0.121 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958175 1073788751 /nfs/dbraw/zinc/78/87/51/1073788751.db2.gz SLXUWUQQOZMJJJ-AZUAARDMSA-N 1 0 377.485 -0.225 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958176 1073788050 /nfs/dbraw/zinc/78/80/50/1073788050.db2.gz SLXUWUQQOZMJJJ-ICSRJNTNSA-N 1 0 377.485 -0.225 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958177 1073788713 /nfs/dbraw/zinc/78/87/13/1073788713.db2.gz SLXUWUQQOZMJJJ-QUCCMNQESA-N 1 0 377.485 -0.225 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530958178 1073788479 /nfs/dbraw/zinc/78/84/79/1073788479.db2.gz SLXUWUQQOZMJJJ-UYAOXDASSA-N 1 0 377.485 -0.225 20 0 GBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)c1 ZINC000530971592 1073788442 /nfs/dbraw/zinc/78/84/42/1073788442.db2.gz IJUXWDCGTGMNLK-CYBMUJFWSA-N 1 0 391.472 -0.053 20 0 GBADRO C[C@@]1(C2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)NC(=O)NC1=O ZINC000530994446 1073790120 /nfs/dbraw/zinc/79/01/20/1073790120.db2.gz DJDSAMXXESSZNG-IBGZPJMESA-N 1 0 391.472 -0.623 20 0 GBADRO C[C@]1(C2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)NC(=O)NC1=O ZINC000530994447 1073790511 /nfs/dbraw/zinc/79/05/11/1073790511.db2.gz DJDSAMXXESSZNG-LJQANCHMSA-N 1 0 391.472 -0.623 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531005473 1073790394 /nfs/dbraw/zinc/79/03/94/1073790394.db2.gz BWVLACKUANAYQF-AWEZNQCLSA-N 1 0 387.550 -0.122 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531005474 1073790159 /nfs/dbraw/zinc/79/01/59/1073790159.db2.gz BWVLACKUANAYQF-CQSZACIVSA-N 1 0 387.550 -0.122 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000531011581 530102151 /nfs/dbraw/zinc/10/21/51/530102151.db2.gz ZBPFWAAPBQRJLO-UHFFFAOYSA-N 1 0 380.536 -0.631 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000531034793 530102121 /nfs/dbraw/zinc/10/21/21/530102121.db2.gz XZIVENVORIPXLG-BXUZGUMPSA-N 1 0 375.520 -0.360 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000531034794 530102148 /nfs/dbraw/zinc/10/21/48/530102148.db2.gz XZIVENVORIPXLG-FZMZJTMJSA-N 1 0 375.520 -0.360 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000531034795 530102066 /nfs/dbraw/zinc/10/20/66/530102066.db2.gz XZIVENVORIPXLG-RISCZKNCSA-N 1 0 375.520 -0.360 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000531034796 530101930 /nfs/dbraw/zinc/10/19/30/530101930.db2.gz XZIVENVORIPXLG-SMDDNHRTSA-N 1 0 375.520 -0.360 20 0 GBADRO CC1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000531043821 1073791413 /nfs/dbraw/zinc/79/14/13/1073791413.db2.gz LCODQHLIBGBUEE-UHFFFAOYSA-N 1 0 386.474 -0.105 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1)CC2 ZINC000531044816 1073791274 /nfs/dbraw/zinc/79/12/74/1073791274.db2.gz YSDOGGAEMIHLEN-CYBMUJFWSA-N 1 0 394.497 -0.058 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1)CC2 ZINC000531044817 1073791384 /nfs/dbraw/zinc/79/13/84/1073791384.db2.gz YSDOGGAEMIHLEN-ZDUSSCGKSA-N 1 0 394.497 -0.058 20 0 GBADRO CC(=O)N[C@@H](CC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)C(N)=O ZINC000531049494 1072292639 /nfs/dbraw/zinc/29/26/39/1072292639.db2.gz LVESZEGZHIPKQA-ROUUACIJSA-N 1 0 389.500 -0.139 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000531050614 530103106 /nfs/dbraw/zinc/10/31/06/530103106.db2.gz MBGGSLYYXZYOFG-AWEZNQCLSA-N 1 0 376.523 -0.189 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000531050618 530103043 /nfs/dbraw/zinc/10/30/43/530103043.db2.gz MBGGSLYYXZYOFG-CQSZACIVSA-N 1 0 376.523 -0.189 20 0 GBADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000531052098 1073791954 /nfs/dbraw/zinc/79/19/54/1073791954.db2.gz SDYQBSRIQSFZEN-GFCCVEGCSA-N 1 0 386.474 -0.107 20 0 GBADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C1 ZINC000531052099 1073792473 /nfs/dbraw/zinc/79/24/73/1073792473.db2.gz SDYQBSRIQSFZEN-LBPRGKRZSA-N 1 0 386.474 -0.107 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000531055440 1073792557 /nfs/dbraw/zinc/79/25/57/1073792557.db2.gz YLTOEOISQBHHFU-UHFFFAOYSA-N 1 0 385.490 -0.714 20 0 GBADRO CCN(CC)S(=O)(=O)CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531057301 530103121 /nfs/dbraw/zinc/10/31/21/530103121.db2.gz WQFFRPHMYGYYAW-UHFFFAOYSA-N 1 0 376.523 -0.283 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000531077124 1073792169 /nfs/dbraw/zinc/79/21/69/1073792169.db2.gz KXLZTOUPQOPATA-HNNXBMFYSA-N 1 0 389.566 -0.017 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000531077128 1072299703 /nfs/dbraw/zinc/29/97/03/1072299703.db2.gz KXLZTOUPQOPATA-OAHLLOKOSA-N 1 0 389.566 -0.017 20 0 GBADRO Cn1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000531124267 1072464118 /nfs/dbraw/zinc/46/41/18/1072464118.db2.gz HEQJFNQDYGUDTN-KRWDZBQOSA-N 1 0 379.486 -0.257 20 0 GBADRO Cn1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000531124272 1073793710 /nfs/dbraw/zinc/79/37/10/1073793710.db2.gz HEQJFNQDYGUDTN-QGZVFWFLSA-N 1 0 379.486 -0.257 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531133430 1073794113 /nfs/dbraw/zinc/79/41/13/1073794113.db2.gz XBVZFJUUXDZOTL-KRWDZBQOSA-N 1 0 385.534 -0.196 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531133434 1072519135 /nfs/dbraw/zinc/51/91/35/1072519135.db2.gz XBVZFJUUXDZOTL-QGZVFWFLSA-N 1 0 385.534 -0.196 20 0 GBADRO Cn1c2c(ccn2CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000531155655 1073794736 /nfs/dbraw/zinc/79/47/36/1073794736.db2.gz FQHOFODFWWLZBW-AWEZNQCLSA-N 1 0 389.456 -0.781 20 0 GBADRO Cn1c2c(ccn2CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000531155659 1073794923 /nfs/dbraw/zinc/79/49/23/1073794923.db2.gz 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1073812723 /nfs/dbraw/zinc/81/27/23/1073812723.db2.gz OHKVGRACHFHJGL-HIFRSBDPSA-N 1 0 391.472 -0.528 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000531558327 1073812051 /nfs/dbraw/zinc/81/20/51/1073812051.db2.gz OHKVGRACHFHJGL-UKRRQHHQSA-N 1 0 391.472 -0.528 20 0 GBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000531558328 1073812133 /nfs/dbraw/zinc/81/21/33/1073812133.db2.gz OHKVGRACHFHJGL-ZFWWWQNUSA-N 1 0 391.472 -0.528 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000531599671 1073814817 /nfs/dbraw/zinc/81/48/17/1073814817.db2.gz YIPKCGCITXQTTP-DOMZBBRYSA-N 1 0 378.429 -0.156 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000531599674 1073814580 /nfs/dbraw/zinc/81/45/80/1073814580.db2.gz YIPKCGCITXQTTP-IUODEOHRSA-N 1 0 378.429 -0.156 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000531599675 1073814352 /nfs/dbraw/zinc/81/43/52/1073814352.db2.gz YIPKCGCITXQTTP-SWLSCSKDSA-N 1 0 378.429 -0.156 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000531599676 1073814522 /nfs/dbraw/zinc/81/45/22/1073814522.db2.gz YIPKCGCITXQTTP-WFASDCNBSA-N 1 0 378.429 -0.156 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000531604402 1073813437 /nfs/dbraw/zinc/81/34/37/1073813437.db2.gz SXZIENPIYWBWNK-UHFFFAOYSA-N 1 0 383.493 -0.835 20 0 GBADRO CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531645217 1073815164 /nfs/dbraw/zinc/81/51/64/1073815164.db2.gz YJATVTDJAQQXJU-KRWDZBQOSA-N 1 0 379.505 -0.647 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000531645218 1073815364 /nfs/dbraw/zinc/81/53/64/1073815364.db2.gz YJATVTDJAQQXJU-QGZVFWFLSA-N 1 0 379.505 -0.647 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531647174 1073815144 /nfs/dbraw/zinc/81/51/44/1073815144.db2.gz YFDRVBFFZNQKHL-CHWSQXEVSA-N 1 0 382.486 -0.090 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000531647177 1073815474 /nfs/dbraw/zinc/81/54/74/1073815474.db2.gz YFDRVBFFZNQKHL-OLZOCXBDSA-N 1 0 382.486 -0.090 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531647178 1073816779 /nfs/dbraw/zinc/81/67/79/1073816779.db2.gz YFDRVBFFZNQKHL-QWHCGFSZSA-N 1 0 382.486 -0.090 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000531647180 1073816526 /nfs/dbraw/zinc/81/65/26/1073816526.db2.gz YFDRVBFFZNQKHL-STQMWFEESA-N 1 0 382.486 -0.090 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000531655192 530205063 /nfs/dbraw/zinc/20/50/63/530205063.db2.gz OXFNOKCJZCZRSY-CYBMUJFWSA-N 1 0 387.527 -0.069 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000531655193 530205096 /nfs/dbraw/zinc/20/50/96/530205096.db2.gz OXFNOKCJZCZRSY-ZDUSSCGKSA-N 1 0 387.527 -0.069 20 0 GBADRO Cc1nc(NCCCNS(C)(=O)=O)cc(NCCCNS(C)(=O)=O)[nH+]1 ZINC000531679832 530181639 /nfs/dbraw/zinc/18/16/39/530181639.db2.gz KVXOUHGABOSXRU-UHFFFAOYSA-N 1 0 394.523 -0.513 20 0 GBADRO C[C@@H](CC(=O)N(C)C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000531683714 1073817261 /nfs/dbraw/zinc/81/72/61/1073817261.db2.gz LWLVBFBJUGMVPO-HNNXBMFYSA-N 1 0 383.518 -0.010 20 0 GBADRO C[C@H](CC(=O)N(C)C)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000531683715 1073817061 /nfs/dbraw/zinc/81/70/61/1073817061.db2.gz LWLVBFBJUGMVPO-OAHLLOKOSA-N 1 0 383.518 -0.010 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000531714028 1073817119 /nfs/dbraw/zinc/81/71/19/1073817119.db2.gz HUHWVVWOILBLHE-HNNXBMFYSA-N 1 0 391.476 -0.258 20 0 GBADRO CN(C)C(=O)Cn1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000531714029 1073817546 /nfs/dbraw/zinc/81/75/46/1073817546.db2.gz HUHWVVWOILBLHE-OAHLLOKOSA-N 1 0 391.476 -0.258 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cn1C 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/nfs/dbraw/zinc/81/91/84/1073819184.db2.gz GINPSCOBWHQJJC-OKZBNKHCSA-N 1 0 384.521 -0.301 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000531770931 1073819471 /nfs/dbraw/zinc/81/94/71/1073819471.db2.gz GINPSCOBWHQJJC-RCCFBDPRSA-N 1 0 384.521 -0.301 20 0 GBADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000531798691 1073819421 /nfs/dbraw/zinc/81/94/21/1073819421.db2.gz XDHUAFJOMHKFLT-HNNXBMFYSA-N 1 0 378.481 -0.495 20 0 GBADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000531798692 1073819530 /nfs/dbraw/zinc/81/95/30/1073819530.db2.gz XDHUAFJOMHKFLT-OAHLLOKOSA-N 1 0 378.481 -0.495 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000531821783 530205627 /nfs/dbraw/zinc/20/56/27/530205627.db2.gz VBNRAUJPCVAPKI-UHFFFAOYSA-N 1 0 377.507 -0.487 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000531837420 1073820594 /nfs/dbraw/zinc/82/05/94/1073820594.db2.gz SVRZSULRQQRPKM-HNNXBMFYSA-N 1 0 398.533 -0.675 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000531837421 1073820575 /nfs/dbraw/zinc/82/05/75/1073820575.db2.gz SVRZSULRQQRPKM-OAHLLOKOSA-N 1 0 398.533 -0.675 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531843086 1073820619 /nfs/dbraw/zinc/82/06/19/1073820619.db2.gz PQHNSHUQAMLMJP-HNNXBMFYSA-N 1 0 383.470 -0.168 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000531843087 1073820667 /nfs/dbraw/zinc/82/06/67/1073820667.db2.gz PQHNSHUQAMLMJP-OAHLLOKOSA-N 1 0 383.470 -0.168 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000531845605 1073821317 /nfs/dbraw/zinc/82/13/17/1073821317.db2.gz KKXXKMKDAIFBGA-UHFFFAOYSA-N 1 0 395.529 -0.261 20 0 GBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531845880 1073821245 /nfs/dbraw/zinc/82/12/45/1073821245.db2.gz DRNGNRLXCDHEDB-UHFFFAOYSA-N 1 0 389.566 -0.952 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531854525 1073821370 /nfs/dbraw/zinc/82/13/70/1073821370.db2.gz MDZCTVAAYHMNHK-UHFFFAOYSA-N 1 0 384.502 -0.025 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cn1C ZINC000531865547 1073822736 /nfs/dbraw/zinc/82/27/36/1073822736.db2.gz WAQPCXSPKXTOPA-UHFFFAOYSA-N 1 0 387.506 -0.642 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000531880156 1073823536 /nfs/dbraw/zinc/82/35/36/1073823536.db2.gz QXHIIDLBTPCXRV-UHFFFAOYSA-N 1 0 397.520 -0.398 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000531886882 1073821977 /nfs/dbraw/zinc/82/19/77/1073821977.db2.gz CYSZMFRSWMJJBJ-KRWDZBQOSA-N 1 0 397.520 -0.717 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000531886883 1073822058 /nfs/dbraw/zinc/82/20/58/1073822058.db2.gz CYSZMFRSWMJJBJ-QGZVFWFLSA-N 1 0 397.520 -0.717 20 0 GBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000531898716 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398.529 -0.355 20 0 GBADRO COCCN1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532464095 1073923290 /nfs/dbraw/zinc/92/32/90/1073923290.db2.gz GCRMFNVXDFEPJT-OAHLLOKOSA-N 1 0 398.529 -0.355 20 0 GBADRO NC(=O)CC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532477187 1073928084 /nfs/dbraw/zinc/92/80/84/1073928084.db2.gz IOCLOOLISOQUGF-UHFFFAOYSA-N 1 0 396.513 -0.030 20 0 GBADRO NC(=O)c1ccc(NC(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000532477305 1073928202 /nfs/dbraw/zinc/92/82/02/1073928202.db2.gz FRIXGELPIPAYLS-UHFFFAOYSA-N 1 0 387.440 -0.463 20 0 GBADRO CCOC(=O)CN(CC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000532483554 1073928147 /nfs/dbraw/zinc/92/81/47/1073928147.db2.gz OLIZISKJTATROA-UHFFFAOYSA-N 1 0 389.460 -0.103 20 0 GBADRO CCCN(CC(=O)NC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000532484361 1073928630 /nfs/dbraw/zinc/92/86/30/1073928630.db2.gz RTXDJXZXWZQGFH-UHFFFAOYSA-N 1 0 388.476 -0.530 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000532493468 1073928216 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ZINC000536237738 1073826018 /nfs/dbraw/zinc/82/60/18/1073826018.db2.gz HRWSUIKJRUGAMP-CQSZACIVSA-N 1 0 399.513 -0.146 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000536312696 1073154422 /nfs/dbraw/zinc/15/44/22/1073154422.db2.gz XHJIMHWTEUTVHM-UHFFFAOYSA-N 1 0 375.429 -0.113 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000536343277 1073168666 /nfs/dbraw/zinc/16/86/66/1073168666.db2.gz IBGMKHZWFKPLCB-UHFFFAOYSA-N 1 0 376.417 -0.363 20 0 GBADRO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)N1 ZINC000536343585 1073168788 /nfs/dbraw/zinc/16/87/88/1073168788.db2.gz PVYHRSCPXREVJA-CYBMUJFWSA-N 1 0 387.396 -0.462 20 0 GBADRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)N1 ZINC000536343588 1073168587 /nfs/dbraw/zinc/16/85/87/1073168587.db2.gz PVYHRSCPXREVJA-ZDUSSCGKSA-N 1 0 387.396 -0.462 20 0 GBADRO CC(C)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[NH+](C)C ZINC000536348534 1072412361 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393.532 -0.258 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000536371946 1073171668 /nfs/dbraw/zinc/17/16/68/1073171668.db2.gz SVZUCQPXNQMJRK-HNNXBMFYSA-N 1 0 394.497 -0.311 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000536371952 1073171434 /nfs/dbraw/zinc/17/14/34/1073171434.db2.gz SVZUCQPXNQMJRK-OAHLLOKOSA-N 1 0 394.497 -0.311 20 0 GBADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)ccn1 ZINC000536501972 530103604 /nfs/dbraw/zinc/10/36/04/530103604.db2.gz IHLHBGGWAZTVPU-UHFFFAOYSA-N 1 0 392.503 -0.913 20 0 GBADRO C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536542371 1073420123 /nfs/dbraw/zinc/42/01/23/1073420123.db2.gz IXJZQSPVOQROKT-DOTOQJQBSA-N 1 0 389.504 -0.126 20 0 GBADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536542386 1073942242 /nfs/dbraw/zinc/94/22/42/1073942242.db2.gz IXJZQSPVOQROKT-NVXWUHKLSA-N 1 0 389.504 -0.126 20 0 GBADRO C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536542387 1073419688 /nfs/dbraw/zinc/41/96/88/1073419688.db2.gz IXJZQSPVOQROKT-RDJZCZTQSA-N 1 0 389.504 -0.126 20 0 GBADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536542388 1073942273 /nfs/dbraw/zinc/94/22/73/1073942273.db2.gz IXJZQSPVOQROKT-WBVHZDCISA-N 1 0 389.504 -0.126 20 0 GBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2)CC1 ZINC000536549524 1073941901 /nfs/dbraw/zinc/94/19/01/1073941901.db2.gz JOXXZRPMXRQLBW-UHFFFAOYSA-N 1 0 394.497 -0.075 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000536604099 530286772 /nfs/dbraw/zinc/28/67/72/530286772.db2.gz FBIVVORUQOGXHL-CYBMUJFWSA-N 1 0 383.536 -0.717 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000536604105 530286892 /nfs/dbraw/zinc/28/68/92/530286892.db2.gz FBIVVORUQOGXHL-ZDUSSCGKSA-N 1 0 383.536 -0.717 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 ZINC000536626624 1073951490 /nfs/dbraw/zinc/95/14/90/1073951490.db2.gz NTDHUXFYGMANRC-UHFFFAOYSA-N 1 0 378.429 -0.642 20 0 GBADRO CC(C)[C@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CC[NH+](C)CC1 ZINC000536648465 530286906 /nfs/dbraw/zinc/28/69/06/530286906.db2.gz NXJIGRRHQJHBKT-CABCVRRESA-N 1 0 376.523 -0.629 20 0 GBADRO CC(C)[C@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CC[NH+](C)CC1 ZINC000536648468 530286930 /nfs/dbraw/zinc/28/69/30/530286930.db2.gz NXJIGRRHQJHBKT-GJZGRUSLSA-N 1 0 376.523 -0.629 20 0 GBADRO CC(C)[C@@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CC[NH+](C)CC1 ZINC000536648469 530286864 /nfs/dbraw/zinc/28/68/64/530286864.db2.gz NXJIGRRHQJHBKT-HUUCEWRRSA-N 1 0 376.523 -0.629 20 0 GBADRO CC(C)[C@@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CC[NH+](C)CC1 ZINC000536648471 530286898 /nfs/dbraw/zinc/28/68/98/530286898.db2.gz NXJIGRRHQJHBKT-LSDHHAIUSA-N 1 0 376.523 -0.629 20 0 GBADRO COCCN(CCOC)S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537032195 530362749 /nfs/dbraw/zinc/36/27/49/530362749.db2.gz APPANOQSSRTEHW-UHFFFAOYSA-N 1 0 380.555 -0.216 20 0 GBADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000537105063 530363182 /nfs/dbraw/zinc/36/31/82/530363182.db2.gz KSFJKOVPRJENDZ-AWEZNQCLSA-N 1 0 390.531 -0.444 20 0 GBADRO C[C@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000537105064 530363133 /nfs/dbraw/zinc/36/31/33/530363133.db2.gz KSFJKOVPRJENDZ-CQSZACIVSA-N 1 0 390.531 -0.444 20 0 GBADRO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1S(C)(=O)=O ZINC000537353293 530367171 /nfs/dbraw/zinc/36/71/71/530367171.db2.gz RUSQMUYFEDXCDH-HNNXBMFYSA-N 1 0 375.539 -0.311 20 0 GBADRO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCS(=O)(=O)CC1 ZINC000537868850 530372132 /nfs/dbraw/zinc/37/21/32/530372132.db2.gz KFKUBSUHDKTRPI-UHFFFAOYSA-N 1 0 388.515 -0.137 20 0 GBADRO CS[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1[NH+](C)C ZINC000537924215 530470949 /nfs/dbraw/zinc/47/09/49/530470949.db2.gz WXGKWXYKVBBWCL-CHWSQXEVSA-N 1 0 394.563 -0.676 20 0 GBADRO CS[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1[NH+](C)C ZINC000537924216 530471013 /nfs/dbraw/zinc/47/10/13/530471013.db2.gz WXGKWXYKVBBWCL-OLZOCXBDSA-N 1 0 394.563 -0.676 20 0 GBADRO CS[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1[NH+](C)C ZINC000537924217 530470881 /nfs/dbraw/zinc/47/08/81/530470881.db2.gz WXGKWXYKVBBWCL-QWHCGFSZSA-N 1 0 394.563 -0.676 20 0 GBADRO CS[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1[NH+](C)C ZINC000537924218 530470841 /nfs/dbraw/zinc/47/08/41/530470841.db2.gz WXGKWXYKVBBWCL-STQMWFEESA-N 1 0 394.563 -0.676 20 0 GBADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H]1[NH+](C)C ZINC000537925602 530470992 /nfs/dbraw/zinc/47/09/92/530470992.db2.gz JYSIJYIRNFRFHD-GXSJLCMTSA-N 1 0 390.487 -0.839 20 0 GBADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1[NH+](C)C ZINC000537925603 530470816 /nfs/dbraw/zinc/47/08/16/530470816.db2.gz JYSIJYIRNFRFHD-KOLCDFICSA-N 1 0 390.487 -0.839 20 0 GBADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H]1[NH+](C)C ZINC000537925604 530470745 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-0.056 20 0 GBADRO C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000539577640 530474250 /nfs/dbraw/zinc/47/42/50/530474250.db2.gz ZNRMWIDKCYFEBU-AWEZNQCLSA-N 1 0 375.539 -0.312 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000539955448 530474621 /nfs/dbraw/zinc/47/46/21/530474621.db2.gz RHLKUCYDQACOAY-HNNXBMFYSA-N 1 0 375.539 -0.263 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000539955453 530474313 /nfs/dbraw/zinc/47/43/13/530474313.db2.gz RHLKUCYDQACOAY-OAHLLOKOSA-N 1 0 375.539 -0.263 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000540337101 530145515 /nfs/dbraw/zinc/14/55/15/530145515.db2.gz VBJBANAIBZAAKQ-UHFFFAOYSA-N 1 0 384.568 -0.787 20 0 GBADRO C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000540675172 530475257 /nfs/dbraw/zinc/47/52/57/530475257.db2.gz FXDLXDWHGSGODV-AWEZNQCLSA-N 1 0 375.539 -0.312 20 0 GBADRO CC1(C)CN(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)CCO1 ZINC000540737014 530475383 /nfs/dbraw/zinc/47/53/83/530475383.db2.gz HNLPELDPIPBEIO-UHFFFAOYSA-N 1 0 378.539 -0.678 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000540917525 530475487 /nfs/dbraw/zinc/47/54/87/530475487.db2.gz NHMHKOTZRQASIJ-UHFFFAOYSA-N 1 0 377.555 -0.017 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)S(N)(=O)=O ZINC000541017734 530475795 /nfs/dbraw/zinc/47/57/95/530475795.db2.gz ZAPBECRRLTVZFO-GWCFXTLKSA-N 1 0 390.893 -0.148 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)S(N)(=O)=O ZINC000541017739 530476019 /nfs/dbraw/zinc/47/60/19/530476019.db2.gz ZAPBECRRLTVZFO-GXFFZTMASA-N 1 0 390.893 -0.148 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)S(N)(=O)=O ZINC000541017741 530475875 /nfs/dbraw/zinc/47/58/75/530475875.db2.gz ZAPBECRRLTVZFO-MFKMUULPSA-N 1 0 390.893 -0.148 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)S(N)(=O)=O ZINC000541017743 530475888 /nfs/dbraw/zinc/47/58/88/530475888.db2.gz 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C[C@@H](C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000541254217 530476070 /nfs/dbraw/zinc/47/60/70/530476070.db2.gz VEIWFDFOOLSUOI-GJZGRUSLSA-N 1 0 377.507 -0.441 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000541254218 530476025 /nfs/dbraw/zinc/47/60/25/530476025.db2.gz VEIWFDFOOLSUOI-HUUCEWRRSA-N 1 0 377.507 -0.441 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000541254219 530475870 /nfs/dbraw/zinc/47/58/70/530475870.db2.gz VEIWFDFOOLSUOI-LSDHHAIUSA-N 1 0 377.507 -0.441 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000541455506 530476276 /nfs/dbraw/zinc/47/62/76/530476276.db2.gz MLOGJVMHUSOBDN-CYBMUJFWSA-N 1 0 383.536 -0.765 20 0 GBADRO CC[NH+](CC)CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000541455507 530476427 /nfs/dbraw/zinc/47/64/27/530476427.db2.gz MLOGJVMHUSOBDN-ZDUSSCGKSA-N 1 0 383.536 -0.765 20 0 GBADRO CN(C)S(=O)(=O)CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000541474314 530476413 /nfs/dbraw/zinc/47/64/13/530476413.db2.gz CYVDNDGYKRQNGM-UHFFFAOYSA-N 1 0 376.523 -0.379 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)S(N)(=O)=O ZINC000541942814 530476736 /nfs/dbraw/zinc/47/67/36/530476736.db2.gz FETSBTAFUXTCID-NEPJUHHUSA-N 1 0 388.515 -0.206 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)S(N)(=O)=O ZINC000541942821 530476705 /nfs/dbraw/zinc/47/67/05/530476705.db2.gz FETSBTAFUXTCID-NWDGAFQWSA-N 1 0 388.515 -0.206 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)S(N)(=O)=O ZINC000541942822 530476801 /nfs/dbraw/zinc/47/68/01/530476801.db2.gz FETSBTAFUXTCID-RYUDHWBXSA-N 1 0 388.515 -0.206 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)S(N)(=O)=O ZINC000541942823 530476988 /nfs/dbraw/zinc/47/69/88/530476988.db2.gz FETSBTAFUXTCID-VXGBXAGGSA-N 1 0 388.515 -0.206 20 0 GBADRO C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)S(N)(=O)=O ZINC000541948802 530477033 /nfs/dbraw/zinc/47/70/33/530477033.db2.gz QNHWLCBECLUHNK-LLVKDONJSA-N 1 0 376.504 -0.569 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)S(N)(=O)=O ZINC000541948803 530477098 /nfs/dbraw/zinc/47/70/98/530477098.db2.gz QNHWLCBECLUHNK-NSHDSACASA-N 1 0 376.504 -0.569 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)S(N)(=O)=O ZINC000541956856 530476974 /nfs/dbraw/zinc/47/69/74/530476974.db2.gz AIQUNVVSFDQTJM-GFCCVEGCSA-N 1 0 392.547 -0.743 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)S(N)(=O)=O ZINC000541956857 530477192 /nfs/dbraw/zinc/47/71/92/530477192.db2.gz AIQUNVVSFDQTJM-LBPRGKRZSA-N 1 0 392.547 -0.743 20 0 GBADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000541960479 530477184 /nfs/dbraw/zinc/47/71/84/530477184.db2.gz BDRWICZVUQARMQ-CHWSQXEVSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000541960480 530477177 /nfs/dbraw/zinc/47/71/77/530477177.db2.gz BDRWICZVUQARMQ-OLZOCXBDSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000541960481 530477023 /nfs/dbraw/zinc/47/70/23/530477023.db2.gz BDRWICZVUQARMQ-QWHCGFSZSA-N 1 0 376.523 -0.204 20 0 GBADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000541960482 530477165 /nfs/dbraw/zinc/47/71/65/530477165.db2.gz BDRWICZVUQARMQ-STQMWFEESA-N 1 0 376.523 -0.204 20 0 GBADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000541960982 530477108 /nfs/dbraw/zinc/47/71/08/530477108.db2.gz IVKHBFDYHIRSRS-CYBMUJFWSA-N 1 0 376.523 -0.250 20 0 GBADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000541960984 530477150 /nfs/dbraw/zinc/47/71/50/530477150.db2.gz IVKHBFDYHIRSRS-ZDUSSCGKSA-N 1 0 376.523 -0.250 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000542165717 530477563 /nfs/dbraw/zinc/47/75/63/530477563.db2.gz HAAPDDTYYFSZJP-HNNXBMFYSA-N 1 0 377.507 -0.535 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000542165718 530477590 /nfs/dbraw/zinc/47/75/90/530477590.db2.gz HAAPDDTYYFSZJP-OAHLLOKOSA-N 1 0 377.507 -0.535 20 0 GBADRO CC(=O)NC1CCC([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000542247651 530477573 /nfs/dbraw/zinc/47/75/73/530477573.db2.gz DXXQADFZNGQRJF-UHFFFAOYSA-N 1 0 376.523 -0.237 20 0 GBADRO COc1c(F)cc(CC(=O)NCCOCC[NH+](C)C)cc1S(N)(=O)=O ZINC000542462226 530477509 /nfs/dbraw/zinc/47/75/09/530477509.db2.gz UFGGBDHWMFDZLJ-UHFFFAOYSA-N 1 0 377.438 -0.281 20 0 GBADRO COCCN1CC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000542480626 530477500 /nfs/dbraw/zinc/47/75/00/530477500.db2.gz IPPFGUXFOUPYFF-INIZCTEOSA-N 1 0 376.523 -0.662 20 0 GBADRO COCCN1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000542480627 530477581 /nfs/dbraw/zinc/47/75/81/530477581.db2.gz IPPFGUXFOUPYFF-MRXNPFEDSA-N 1 0 376.523 -0.662 20 0 GBADRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000542522565 530478053 /nfs/dbraw/zinc/47/80/53/530478053.db2.gz OZHKNVGTZIRDNY-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000542545831 530478003 /nfs/dbraw/zinc/47/80/03/530478003.db2.gz SCFYKEILZIMGID-HNNXBMFYSA-N 1 0 375.539 -0.407 20 0 GBADRO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000542545853 530477837 /nfs/dbraw/zinc/47/78/37/530477837.db2.gz SCFYKEILZIMGID-OAHLLOKOSA-N 1 0 375.539 -0.407 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000542887619 530478407 /nfs/dbraw/zinc/47/84/07/530478407.db2.gz KWRNATHBTUELPV-GXTWGEPZSA-N 1 0 376.523 -0.204 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000542887623 530478234 /nfs/dbraw/zinc/47/82/34/530478234.db2.gz KWRNATHBTUELPV-JSGCOSHPSA-N 1 0 376.523 -0.204 20 0 GBADRO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000542887625 530478304 /nfs/dbraw/zinc/47/83/04/530478304.db2.gz KWRNATHBTUELPV-OCCSQVGLSA-N 1 0 376.523 -0.204 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[NH+]1CCCC1 ZINC000542887627 530478238 /nfs/dbraw/zinc/47/82/38/530478238.db2.gz KWRNATHBTUELPV-TZMCWYRMSA-N 1 0 376.523 -0.204 20 0 GBADRO COC(=O)CN1CCC([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000543097671 530478448 /nfs/dbraw/zinc/47/84/48/530478448.db2.gz UDJUMSILLWFAGM-HNNXBMFYSA-N 1 0 377.507 -0.298 20 0 GBADRO COC(=O)CN1CCC([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000543097672 530478438 /nfs/dbraw/zinc/47/84/38/530478438.db2.gz UDJUMSILLWFAGM-OAHLLOKOSA-N 1 0 377.507 -0.298 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000543388156 530478645 /nfs/dbraw/zinc/47/86/45/530478645.db2.gz QWVALENQXMJXFZ-GFCCVEGCSA-N 1 0 375.495 -0.602 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000543388157 530478775 /nfs/dbraw/zinc/47/87/75/530478775.db2.gz QWVALENQXMJXFZ-LBPRGKRZSA-N 1 0 375.495 -0.602 20 0 GBADRO C[C@H](CCN1CCC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441842 530478650 /nfs/dbraw/zinc/47/86/50/530478650.db2.gz VOVOPDZLXWRVHO-HZSPNIEDSA-N 1 0 382.552 -0.729 20 0 GBADRO C[C@H](CCN1CCC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441843 530478904 /nfs/dbraw/zinc/47/89/04/530478904.db2.gz VOVOPDZLXWRVHO-MCIONIFRSA-N 1 0 382.552 -0.729 20 0 GBADRO C[C@H](CCN1CCC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000543441844 530478636 /nfs/dbraw/zinc/47/86/36/530478636.db2.gz VOVOPDZLXWRVHO-MGPQQGTHSA-N 1 0 382.552 -0.729 20 0 GBADRO C[C@H](CCN1CCC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000543441845 530478741 /nfs/dbraw/zinc/47/87/41/530478741.db2.gz VOVOPDZLXWRVHO-RDBSUJKOSA-N 1 0 382.552 -0.729 20 0 GBADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000543805836 530478994 /nfs/dbraw/zinc/47/89/94/530478994.db2.gz VDOWLVVUOYLKHD-CYBMUJFWSA-N 1 0 376.523 -0.346 20 0 GBADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000543805837 530479020 /nfs/dbraw/zinc/47/90/20/530479020.db2.gz VDOWLVVUOYLKHD-ZDUSSCGKSA-N 1 0 376.523 -0.346 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)S(N)(=O)=O ZINC000543817073 530479323 /nfs/dbraw/zinc/47/93/23/530479323.db2.gz QAAJWSPIUYGAPP-HZSPNIEDSA-N 1 0 376.523 -0.346 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)S(N)(=O)=O ZINC000543817074 530479203 /nfs/dbraw/zinc/47/92/03/530479203.db2.gz QAAJWSPIUYGAPP-MCIONIFRSA-N 1 0 376.523 -0.346 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)S(N)(=O)=O ZINC000543817075 530479253 /nfs/dbraw/zinc/47/92/53/530479253.db2.gz QAAJWSPIUYGAPP-MGPQQGTHSA-N 1 0 376.523 -0.346 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)S(N)(=O)=O ZINC000543817076 530479260 /nfs/dbraw/zinc/47/92/60/530479260.db2.gz QAAJWSPIUYGAPP-MJBXVCDLSA-N 1 0 376.523 -0.346 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)S(N)(=O)=O ZINC000543819459 530479083 /nfs/dbraw/zinc/47/90/83/530479083.db2.gz VJNQLWINGOZVSB-FRRDWIJNSA-N 1 0 376.523 -0.348 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)S(N)(=O)=O ZINC000543819460 530479332 /nfs/dbraw/zinc/47/93/32/530479332.db2.gz VJNQLWINGOZVSB-JHJVBQTASA-N 1 0 376.523 -0.348 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)S(N)(=O)=O ZINC000543819461 530479206 /nfs/dbraw/zinc/47/92/06/530479206.db2.gz VJNQLWINGOZVSB-UPJWGTAASA-N 1 0 376.523 -0.348 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)S(N)(=O)=O ZINC000543819463 530479275 /nfs/dbraw/zinc/47/92/75/530479275.db2.gz VJNQLWINGOZVSB-XQQFMLRXSA-N 1 0 376.523 -0.348 20 0 GBADRO O=C(C[NH2+][C@H](CO)C1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543840749 1072181912 /nfs/dbraw/zinc/18/19/12/1072181912.db2.gz VYPBSLPBZNMZEU-GOSISDBHSA-N 1 0 396.532 -0.480 20 0 GBADRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543840750 1072181891 /nfs/dbraw/zinc/18/18/91/1072181891.db2.gz VYPBSLPBZNMZEU-SFHVURJKSA-N 1 0 396.532 -0.480 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(N3CCOCC3)CCC2)cn1 ZINC000543891246 1072913755 /nfs/dbraw/zinc/91/37/55/1072913755.db2.gz ZPTJSXBYQFPJJY-UHFFFAOYSA-N 1 0 378.477 -0.246 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000544115357 1073290917 /nfs/dbraw/zinc/29/09/17/1073290917.db2.gz QRKJPRLNIZJUNP-HNNXBMFYSA-N 1 0 386.518 -0.097 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000544115363 1073290676 /nfs/dbraw/zinc/29/06/76/1073290676.db2.gz QRKJPRLNIZJUNP-OAHLLOKOSA-N 1 0 386.518 -0.097 20 0 GBADRO C[C@@H](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000544186892 530479367 /nfs/dbraw/zinc/47/93/67/530479367.db2.gz HRMLTEBWNHWDCC-AWEZNQCLSA-N 1 0 382.552 -0.338 20 0 GBADRO C[C@H](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000544186893 530479522 /nfs/dbraw/zinc/47/95/22/530479522.db2.gz HRMLTEBWNHWDCC-CQSZACIVSA-N 1 0 382.552 -0.338 20 0 GBADRO CCCCS(=O)(=O)NCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000544242422 530479749 /nfs/dbraw/zinc/47/97/49/530479749.db2.gz VQMIRNAVDHHDRL-UHFFFAOYSA-N 1 0 377.507 -0.608 20 0 GBADRO CN(C)S(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000544325342 1073170262 /nfs/dbraw/zinc/17/02/62/1073170262.db2.gz SAURKBXVUAWGEL-HNNXBMFYSA-N 1 0 384.502 -0.717 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCOCC[NH+](C)C ZINC000544346032 1073264011 /nfs/dbraw/zinc/26/40/11/1073264011.db2.gz HGBKCMXLENBTDP-GFCCVEGCSA-N 1 0 386.474 -0.853 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCOCC[NH+](C)C ZINC000544346033 1073264013 /nfs/dbraw/zinc/26/40/13/1073264013.db2.gz HGBKCMXLENBTDP-LBPRGKRZSA-N 1 0 386.474 -0.853 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1 ZINC000544389458 530479491 /nfs/dbraw/zinc/47/94/91/530479491.db2.gz KJSOHIMDWUFIGK-UHFFFAOYSA-N 1 0 379.504 -0.207 20 0 GBADRO C[NH+](C)CCOCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000544389529 530479609 /nfs/dbraw/zinc/47/96/09/530479609.db2.gz PZTBKOLCWPJDMF-UHFFFAOYSA-N 1 0 379.504 -0.538 20 0 GBADRO CC(CN1CCC[C@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397325 530479771 /nfs/dbraw/zinc/47/97/71/530479771.db2.gz DHDLKNOLNIVENY-KBPBESRZSA-N 1 0 382.552 -0.872 20 0 GBADRO CC(CN1CCC[C@@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544397326 530479681 /nfs/dbraw/zinc/47/96/81/530479681.db2.gz DHDLKNOLNIVENY-ZIAGYGMSSA-N 1 0 382.552 -0.872 20 0 GBADRO C[C@H](CN1CCC[C@@H](S(N)(=O)=O)C1)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544397327 530479717 /nfs/dbraw/zinc/47/97/17/530479717.db2.gz DHDLKNOLNIVENY-ZSOGYDGISA-N 1 0 382.552 -0.872 20 0 GBADRO CN(CCCNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)S(C)(=O)=O ZINC000544453428 530479576 /nfs/dbraw/zinc/47/95/76/530479576.db2.gz AISNPGBXYSSGGC-AWEZNQCLSA-N 1 0 376.523 -0.202 20 0 GBADRO CN(CCCNC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)S(C)(=O)=O ZINC000544453429 530479677 /nfs/dbraw/zinc/47/96/77/530479677.db2.gz AISNPGBXYSSGGC-CQSZACIVSA-N 1 0 376.523 -0.202 20 0 GBADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000544556306 530479970 /nfs/dbraw/zinc/47/99/70/530479970.db2.gz XJHYCOQLGHRKNA-AWEZNQCLSA-N 1 0 376.523 -0.331 20 0 GBADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1 ZINC000544556313 530479953 /nfs/dbraw/zinc/47/99/53/530479953.db2.gz XJHYCOQLGHRKNA-CQSZACIVSA-N 1 0 376.523 -0.331 20 0 GBADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000544657711 530479830 /nfs/dbraw/zinc/47/98/30/530479830.db2.gz ZUKWMPHQMKSZTK-CYBMUJFWSA-N 1 0 382.552 -0.530 20 0 GBADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000544657712 530479879 /nfs/dbraw/zinc/47/98/79/530479879.db2.gz ZUKWMPHQMKSZTK-ZDUSSCGKSA-N 1 0 382.552 -0.530 20 0 GBADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000544670080 530480120 /nfs/dbraw/zinc/48/01/20/530480120.db2.gz WMNHKEUCKCHAHN-UHFFFAOYSA-N 1 0 379.504 -0.029 20 0 GBADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000544672023 530480125 /nfs/dbraw/zinc/48/01/25/530480125.db2.gz WVHZOPQUOBLCCU-UHFFFAOYSA-N 1 0 379.504 -0.029 20 0 GBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000544689315 530480131 /nfs/dbraw/zinc/48/01/31/530480131.db2.gz HAMJFOMHUIZQBV-UHFFFAOYSA-N 1 0 376.523 -0.196 20 0 GBADRO C[NH+](C)CC1(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCC1 ZINC000544816494 1073819505 /nfs/dbraw/zinc/81/95/05/1073819505.db2.gz CNIXJEHFWDJMSU-UHFFFAOYSA-N 1 0 378.481 -0.351 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cncnc1 ZINC000544857061 1072240912 /nfs/dbraw/zinc/24/09/12/1072240912.db2.gz YINBWCVQLRICRA-UHFFFAOYSA-N 1 0 376.442 -0.247 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545153568 530480023 /nfs/dbraw/zinc/48/00/23/530480023.db2.gz NSWVSXVTVAPBOE-HNNXBMFYSA-N 1 0 389.499 -0.435 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000545153569 530480149 /nfs/dbraw/zinc/48/01/49/530480149.db2.gz NSWVSXVTVAPBOE-OAHLLOKOSA-N 1 0 389.499 -0.435 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545158496 530480115 /nfs/dbraw/zinc/48/01/15/530480115.db2.gz SWMMPXCPRQSCEA-AWEZNQCLSA-N 1 0 377.488 -0.718 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545158499 530479887 /nfs/dbraw/zinc/47/98/87/530479887.db2.gz SWMMPXCPRQSCEA-CQSZACIVSA-N 1 0 377.488 -0.718 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000545158514 530480153 /nfs/dbraw/zinc/48/01/53/530480153.db2.gz UMLZVYDOFHDWRO-HNNXBMFYSA-N 1 0 389.499 -0.528 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000545158521 530480086 /nfs/dbraw/zinc/48/00/86/530480086.db2.gz UMLZVYDOFHDWRO-OAHLLOKOSA-N 1 0 389.499 -0.528 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000545158936 530480142 /nfs/dbraw/zinc/48/01/42/530480142.db2.gz PCTPUVIOCHWPMK-HNNXBMFYSA-N 1 0 389.499 -0.528 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000545158937 530479858 /nfs/dbraw/zinc/47/98/58/530479858.db2.gz PCTPUVIOCHWPMK-OAHLLOKOSA-N 1 0 389.499 -0.528 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000545160459 530479932 /nfs/dbraw/zinc/47/99/32/530479932.db2.gz SIINQKAYLXSZSO-AWEZNQCLSA-N 1 0 377.850 -0.451 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000545160460 530480374 /nfs/dbraw/zinc/48/03/74/530480374.db2.gz SIINQKAYLXSZSO-CQSZACIVSA-N 1 0 377.850 -0.451 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000545167168 530480530 /nfs/dbraw/zinc/48/05/30/530480530.db2.gz QYWGZPPBBNSVNN-HNNXBMFYSA-N 1 0 389.861 -0.135 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000545167169 530480499 /nfs/dbraw/zinc/48/04/99/530480499.db2.gz QYWGZPPBBNSVNN-OAHLLOKOSA-N 1 0 389.861 -0.135 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)[C@H](C)O)cc1 ZINC000545174532 1072502888 /nfs/dbraw/zinc/50/28/88/1072502888.db2.gz KOPACLVTRLPBNL-QRTARXTBSA-N 1 0 385.486 -0.794 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)[C@@H](C)O)cc1 ZINC000545174533 1072503255 /nfs/dbraw/zinc/50/32/55/1072503255.db2.gz KOPACLVTRLPBNL-UKPHBRMFSA-N 1 0 385.486 -0.794 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H](C)C(F)(F)F ZINC000545349184 530480461 /nfs/dbraw/zinc/48/04/61/530480461.db2.gz AYIVJOQCNHQCPR-LLVKDONJSA-N 1 0 375.413 -0.011 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000545349185 530480274 /nfs/dbraw/zinc/48/02/74/530480274.db2.gz AYIVJOQCNHQCPR-NSHDSACASA-N 1 0 375.413 -0.011 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000545349277 530480524 /nfs/dbraw/zinc/48/05/24/530480524.db2.gz GMCFNSXNYGBZSI-HNNXBMFYSA-N 1 0 377.507 -0.392 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000545349278 530480494 /nfs/dbraw/zinc/48/04/94/530480494.db2.gz GMCFNSXNYGBZSI-OAHLLOKOSA-N 1 0 377.507 -0.392 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000545351487 530480480 /nfs/dbraw/zinc/48/04/80/530480480.db2.gz HTTDJSXJDKHGNM-UHFFFAOYSA-N 1 0 393.897 -0.515 20 0 GBADRO CCn1cc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)nc1C ZINC000545351564 1073130417 /nfs/dbraw/zinc/13/04/17/1073130417.db2.gz LEQBXVSFLWTUGZ-UHFFFAOYSA-N 1 0 387.506 -0.377 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000545352678 530480482 /nfs/dbraw/zinc/48/04/82/530480482.db2.gz OMWYETDXYVKDNB-AWEZNQCLSA-N 1 0 376.523 -0.316 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000545352679 530480548 /nfs/dbraw/zinc/48/05/48/530480548.db2.gz OMWYETDXYVKDNB-CQSZACIVSA-N 1 0 376.523 -0.316 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)ccn2)CC1 ZINC000545413083 1073218203 /nfs/dbraw/zinc/21/82/03/1073218203.db2.gz QYCHAIHBVJWBJT-AWEZNQCLSA-N 1 0 387.444 -0.721 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)ccn2)CC1 ZINC000545413089 1073218177 /nfs/dbraw/zinc/21/81/77/1073218177.db2.gz QYCHAIHBVJWBJT-CQSZACIVSA-N 1 0 387.444 -0.721 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000545862031 530480756 /nfs/dbraw/zinc/48/07/56/530480756.db2.gz JPJFIDRHEFPHDN-HNNXBMFYSA-N 1 0 377.413 -0.184 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000545862037 530480836 /nfs/dbraw/zinc/48/08/36/530480836.db2.gz JPJFIDRHEFPHDN-OAHLLOKOSA-N 1 0 377.413 -0.184 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 ZINC000545864305 1072179816 /nfs/dbraw/zinc/17/98/16/1072179816.db2.gz UXGJNEPFPGIYSB-GOSISDBHSA-N 1 0 381.498 -0.287 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 ZINC000545864307 1072179772 /nfs/dbraw/zinc/17/97/72/1072179772.db2.gz UXGJNEPFPGIYSB-SFHVURJKSA-N 1 0 381.498 -0.287 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866411 530480742 /nfs/dbraw/zinc/48/07/42/530480742.db2.gz DVLCTJRMLBLZOZ-AWEZNQCLSA-N 1 0 377.488 -0.718 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545866412 530480876 /nfs/dbraw/zinc/48/08/76/530480876.db2.gz DVLCTJRMLBLZOZ-CQSZACIVSA-N 1 0 377.488 -0.718 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000545868626 530480765 /nfs/dbraw/zinc/48/07/65/530480765.db2.gz VQJCRXHJUHZCHZ-CYBMUJFWSA-N 1 0 381.451 -0.458 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000545868627 530480933 /nfs/dbraw/zinc/48/09/33/530480933.db2.gz VQJCRXHJUHZCHZ-ZDUSSCGKSA-N 1 0 381.451 -0.458 20 0 GBADRO COC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545880038 1072281200 /nfs/dbraw/zinc/28/12/00/1072281200.db2.gz NAKBSYXPNTTXPQ-GOSISDBHSA-N 1 0 379.413 -0.250 20 0 GBADRO COC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545880039 1072281275 /nfs/dbraw/zinc/28/12/75/1072281275.db2.gz NAKBSYXPNTTXPQ-SFHVURJKSA-N 1 0 379.413 -0.250 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)nn1 ZINC000545883576 1072284306 /nfs/dbraw/zinc/28/43/06/1072284306.db2.gz NNAFGAMZCXSTNU-KBPBESRZSA-N 1 0 379.465 -0.343 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)nn1 ZINC000545883577 1072284443 /nfs/dbraw/zinc/28/44/43/1072284443.db2.gz NNAFGAMZCXSTNU-KGLIPLIRSA-N 1 0 379.465 -0.343 20 0 GBADRO COC(=O)c1cn([C@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)nn1 ZINC000545883578 1072284102 /nfs/dbraw/zinc/28/41/02/1072284102.db2.gz NNAFGAMZCXSTNU-UONOGXRCSA-N 1 0 379.465 -0.343 20 0 GBADRO COC(=O)c1cn([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)nn1 ZINC000545883579 1072284171 /nfs/dbraw/zinc/28/41/71/1072284171.db2.gz NNAFGAMZCXSTNU-ZIAGYGMSSA-N 1 0 379.465 -0.343 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000545984089 1072660867 /nfs/dbraw/zinc/66/08/67/1072660867.db2.gz UQWYICOQIVLJRK-UHFFFAOYSA-N 1 0 382.505 -0.510 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000546027512 530480883 /nfs/dbraw/zinc/48/08/83/530480883.db2.gz GPJGMRHJQHRIJT-CYBMUJFWSA-N 1 0 390.531 -0.362 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000546027513 530480671 /nfs/dbraw/zinc/48/06/71/530480671.db2.gz GPJGMRHJQHRIJT-ZDUSSCGKSA-N 1 0 390.531 -0.362 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000546055183 1072812286 /nfs/dbraw/zinc/81/22/86/1072812286.db2.gz MTDGHBJAZUYUEH-GASCZTMLSA-N 1 0 392.522 -0.937 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000546055184 1072812278 /nfs/dbraw/zinc/81/22/78/1072812278.db2.gz MTDGHBJAZUYUEH-GJZGRUSLSA-N 1 0 392.522 -0.937 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000546055185 1072812201 /nfs/dbraw/zinc/81/22/01/1072812201.db2.gz MTDGHBJAZUYUEH-HUUCEWRRSA-N 1 0 392.522 -0.937 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC1CCOCC1 ZINC000546058108 530480955 /nfs/dbraw/zinc/48/09/55/530480955.db2.gz ITEQZNRFVQHNSM-UHFFFAOYSA-N 1 0 377.507 -0.535 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000546058747 1072819409 /nfs/dbraw/zinc/81/94/09/1072819409.db2.gz XZDJJBYPNDEGEX-UHFFFAOYSA-N 1 0 398.485 -0.803 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000546071145 530480857 /nfs/dbraw/zinc/48/08/57/530480857.db2.gz OXBZVTLXKFUSLS-UHFFFAOYSA-N 1 0 399.535 -0.880 20 0 GBADRO COC(=O)CCN(C)S(=O)(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000546073100 530480879 /nfs/dbraw/zinc/48/08/79/530480879.db2.gz GMPMEVGDSBRZEQ-UHFFFAOYSA-N 1 0 379.479 -0.409 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(=O)n4[nH]cnc4n3)cn2)CC1 ZINC000546083026 1072871626 /nfs/dbraw/zinc/87/16/26/1072871626.db2.gz GSTXUUJGAIODFT-UHFFFAOYSA-N 1 0 382.428 -0.116 20 0 GBADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(NC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000546134846 530175015 /nfs/dbraw/zinc/17/50/15/530175015.db2.gz VFSWACBXPUDRPF-GFCCVEGCSA-N 1 0 389.547 0.480 20 0 GBADRO CC[NH+](CC)CCN(C(=O)Cc1nnc(NC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000546134847 530175033 /nfs/dbraw/zinc/17/50/33/530175033.db2.gz VFSWACBXPUDRPF-LBPRGKRZSA-N 1 0 389.547 0.480 20 0 GBADRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000546225314 1073063773 /nfs/dbraw/zinc/06/37/73/1073063773.db2.gz KNXNDGLZAMMUPV-INIZCTEOSA-N 1 0 384.521 -0.624 20 0 GBADRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000546225315 1073064268 /nfs/dbraw/zinc/06/42/68/1073064268.db2.gz KNXNDGLZAMMUPV-MRXNPFEDSA-N 1 0 384.521 -0.624 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000546567298 530481272 /nfs/dbraw/zinc/48/12/72/530481272.db2.gz ZIWYYJKRIDAGTG-HNNXBMFYSA-N 1 0 389.499 -0.429 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000546567299 530481214 /nfs/dbraw/zinc/48/12/14/530481214.db2.gz ZIWYYJKRIDAGTG-OAHLLOKOSA-N 1 0 389.499 -0.429 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000546570031 530481373 /nfs/dbraw/zinc/48/13/73/530481373.db2.gz QTWHJDUXWKNDEW-HNNXBMFYSA-N 1 0 389.861 -0.135 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000546570035 530481184 /nfs/dbraw/zinc/48/11/84/530481184.db2.gz QTWHJDUXWKNDEW-OAHLLOKOSA-N 1 0 389.861 -0.135 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000546573645 530481360 /nfs/dbraw/zinc/48/13/60/530481360.db2.gz GUBOXVPUUOXUDK-AWEZNQCLSA-N 1 0 395.478 -0.068 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000546573646 530481165 /nfs/dbraw/zinc/48/11/65/530481165.db2.gz GUBOXVPUUOXUDK-CQSZACIVSA-N 1 0 395.478 -0.068 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(C(=O)OC)s1 ZINC000546574252 530481175 /nfs/dbraw/zinc/48/11/75/530481175.db2.gz HZYPDCZZDOXIFD-AWEZNQCLSA-N 1 0 392.455 -0.334 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C(=O)OC)s1 ZINC000546574253 530481110 /nfs/dbraw/zinc/48/11/10/530481110.db2.gz HZYPDCZZDOXIFD-CQSZACIVSA-N 1 0 392.455 -0.334 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCNS(C)(=O)=O)c1 ZINC000546613639 530481181 /nfs/dbraw/zinc/48/11/81/530481181.db2.gz JISSKDLSQLDDON-UHFFFAOYSA-N 1 0 392.503 -0.596 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000546689250 1073925352 /nfs/dbraw/zinc/92/53/52/1073925352.db2.gz VOYHAGBMLNXWCP-HNNXBMFYSA-N 1 0 379.413 -0.616 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 ZINC000546689251 1073924767 /nfs/dbraw/zinc/92/47/67/1073924767.db2.gz VOYHAGBMLNXWCP-OAHLLOKOSA-N 1 0 379.413 -0.616 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000546733474 530481222 /nfs/dbraw/zinc/48/12/22/530481222.db2.gz QIUZUJZQVOAPOX-HUUCEWRRSA-N 1 0 375.539 -0.264 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000546733475 530481130 /nfs/dbraw/zinc/48/11/30/530481130.db2.gz QIUZUJZQVOAPOX-LSDHHAIUSA-N 1 0 375.539 -0.264 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000546761422 530481147 /nfs/dbraw/zinc/48/11/47/530481147.db2.gz LOPRKXRHKXALDJ-HNNXBMFYSA-N 1 0 376.523 -0.172 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCCC[C@H]1C ZINC000546761452 530481401 /nfs/dbraw/zinc/48/14/01/530481401.db2.gz LOPRKXRHKXALDJ-OAHLLOKOSA-N 1 0 376.523 -0.172 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000546763558 530481139 /nfs/dbraw/zinc/48/11/39/530481139.db2.gz SECNAOBVZDVKLE-HNNXBMFYSA-N 1 0 376.523 -0.315 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000546763559 530481252 /nfs/dbraw/zinc/48/12/52/530481252.db2.gz SECNAOBVZDVKLE-OAHLLOKOSA-N 1 0 376.523 -0.315 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCCCCC1 ZINC000546766848 530481202 /nfs/dbraw/zinc/48/12/02/530481202.db2.gz FEVYWQXIRPWFSG-UHFFFAOYSA-N 1 0 376.523 -0.170 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000547274842 530481683 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-0.266 20 0 GBADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C ZINC000547682295 1072184687 /nfs/dbraw/zinc/18/46/87/1072184687.db2.gz WZDUYNGOKSPEJL-DZGCQCFKSA-N 1 0 387.444 -0.405 20 0 GBADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)cnn1C ZINC000547683077 1072185719 /nfs/dbraw/zinc/18/57/19/1072185719.db2.gz VSNWMRIRAHUGRC-QFBILLFUSA-N 1 0 392.504 -0.619 20 0 GBADRO CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698779 1072195373 /nfs/dbraw/zinc/19/53/73/1072195373.db2.gz YMSZKHIZQRVNSM-CABCVRRESA-N 1 0 375.477 -0.813 20 0 GBADRO CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698780 1072195596 /nfs/dbraw/zinc/19/55/96/1072195596.db2.gz YMSZKHIZQRVNSM-GJZGRUSLSA-N 1 0 375.477 -0.813 20 0 GBADRO CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698781 1072195908 /nfs/dbraw/zinc/19/59/08/1072195908.db2.gz YMSZKHIZQRVNSM-HUUCEWRRSA-N 1 0 375.477 -0.813 20 0 GBADRO 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ZINC000547883648 1072299654 /nfs/dbraw/zinc/29/96/54/1072299654.db2.gz PJJZSMJYXBLNKP-IAGOWNOFSA-N 1 0 397.589 -0.270 20 0 GBADRO CS[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000547883649 1072299863 /nfs/dbraw/zinc/29/98/63/1072299863.db2.gz PJJZSMJYXBLNKP-IRXDYDNUSA-N 1 0 397.589 -0.270 20 0 GBADRO CS[C@H]1CN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000547883650 1072299612 /nfs/dbraw/zinc/29/96/12/1072299612.db2.gz PJJZSMJYXBLNKP-SJORKVTESA-N 1 0 397.589 -0.270 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000547949977 530483759 /nfs/dbraw/zinc/48/37/59/530483759.db2.gz BBZXPNXJMGQWCM-KBPBESRZSA-N 1 0 379.548 -0.020 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000547949978 530483869 /nfs/dbraw/zinc/48/38/69/530483869.db2.gz BBZXPNXJMGQWCM-KGLIPLIRSA-N 1 0 379.548 -0.020 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000547949979 530483978 /nfs/dbraw/zinc/48/39/78/530483978.db2.gz BBZXPNXJMGQWCM-UONOGXRCSA-N 1 0 379.548 -0.020 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000547949980 530484042 /nfs/dbraw/zinc/48/40/42/530484042.db2.gz BBZXPNXJMGQWCM-ZIAGYGMSSA-N 1 0 379.548 -0.020 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000548044534 530483789 /nfs/dbraw/zinc/48/37/89/530483789.db2.gz GTPNWBGXMYSQHV-HNNXBMFYSA-N 1 0 389.499 -0.528 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000548044535 530483911 /nfs/dbraw/zinc/48/39/11/530483911.db2.gz GTPNWBGXMYSQHV-OAHLLOKOSA-N 1 0 389.499 -0.528 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c(=O)n2C ZINC000548066436 1072432582 /nfs/dbraw/zinc/43/25/82/1072432582.db2.gz QOFYYDXHTBLIBH-GFCCVEGCSA-N 1 0 376.461 -0.330 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c(=O)n2C ZINC000548066437 1072432557 /nfs/dbraw/zinc/43/25/57/1072432557.db2.gz QOFYYDXHTBLIBH-LBPRGKRZSA-N 1 0 376.461 -0.330 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000548076809 1072443164 /nfs/dbraw/zinc/44/31/64/1072443164.db2.gz MIQXBVMEHZSVKS-INIZCTEOSA-N 1 0 384.521 -0.481 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000548076810 1072443213 /nfs/dbraw/zinc/44/32/13/1072443213.db2.gz MIQXBVMEHZSVKS-MRXNPFEDSA-N 1 0 384.521 -0.481 20 0 GBADRO C[C@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000548078847 1072444873 /nfs/dbraw/zinc/44/48/73/1072444873.db2.gz MYMWKSLXQXFCER-INIZCTEOSA-N 1 0 394.520 0.524 20 0 GBADRO C[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000548078848 1072444754 /nfs/dbraw/zinc/44/47/54/1072444754.db2.gz MYMWKSLXQXFCER-MRXNPFEDSA-N 1 0 394.520 0.524 20 0 GBADRO COc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1C ZINC000548128773 1072482989 /nfs/dbraw/zinc/48/29/89/1072482989.db2.gz ZXCNMSXKAPYTPR-GFCCVEGCSA-N 1 0 380.449 -0.574 20 0 GBADRO COc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1C ZINC000548128774 1072482956 /nfs/dbraw/zinc/48/29/56/1072482956.db2.gz ZXCNMSXKAPYTPR-LBPRGKRZSA-N 1 0 380.449 -0.574 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000548128858 1072482197 /nfs/dbraw/zinc/48/21/97/1072482197.db2.gz SRLKVQLBLBLOJM-AWEZNQCLSA-N 1 0 380.493 -0.214 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000548128859 1072482389 /nfs/dbraw/zinc/48/23/89/1072482389.db2.gz SRLKVQLBLBLOJM-CQSZACIVSA-N 1 0 380.493 -0.214 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000548129756 1072483258 /nfs/dbraw/zinc/48/32/58/1072483258.db2.gz GXXLIXOILLVZAZ-AWEZNQCLSA-N 1 0 378.477 -0.004 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000548129757 1072482979 /nfs/dbraw/zinc/48/29/79/1072482979.db2.gz GXXLIXOILLVZAZ-CQSZACIVSA-N 1 0 378.477 -0.004 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(OC)n(C)n2)CC1 ZINC000548130887 1072483942 /nfs/dbraw/zinc/48/39/42/1072483942.db2.gz FZCQPEHOLQXLFD-UHFFFAOYSA-N 1 0 380.449 -0.620 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000548136840 1072502121 /nfs/dbraw/zinc/50/21/21/1072502121.db2.gz QJLNBMDDIHKGCY-GFCCVEGCSA-N 1 0 378.433 -0.868 20 0 GBADRO COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000548136841 1072502645 /nfs/dbraw/zinc/50/26/45/1072502645.db2.gz QJLNBMDDIHKGCY-LBPRGKRZSA-N 1 0 378.433 -0.868 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000548189641 1072606598 /nfs/dbraw/zinc/60/65/98/1072606598.db2.gz LPIPMHMYCKIPEL-UHFFFAOYSA-N 1 0 381.477 -0.051 20 0 GBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000548277161 1072182390 /nfs/dbraw/zinc/18/23/90/1072182390.db2.gz BLEMEDCQUXPLRY-BRWVUGGUSA-N 1 0 398.504 -0.245 20 0 GBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000548277162 1072182373 /nfs/dbraw/zinc/18/23/73/1072182373.db2.gz BLEMEDCQUXPLRY-GVDBMIGSSA-N 1 0 398.504 -0.245 20 0 GBADRO COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000548277163 1072182263 /nfs/dbraw/zinc/18/22/63/1072182263.db2.gz BLEMEDCQUXPLRY-IXDOHACOSA-N 1 0 398.504 -0.245 20 0 GBADRO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000548277164 1072182341 /nfs/dbraw/zinc/18/23/41/1072182341.db2.gz BLEMEDCQUXPLRY-YESZJQIVSA-N 1 0 398.504 -0.245 20 0 GBADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000548364426 1072207409 /nfs/dbraw/zinc/20/74/09/1072207409.db2.gz RIRZOYXWVDWODD-AWEZNQCLSA-N 1 0 399.517 -0.154 20 0 GBADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000548364427 1072207312 /nfs/dbraw/zinc/20/73/12/1072207312.db2.gz RIRZOYXWVDWODD-CQSZACIVSA-N 1 0 399.517 -0.154 20 0 GBADRO C[C@@H]1CN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC[N@@H+]1CC(C)(C)O ZINC000548385048 1072215447 /nfs/dbraw/zinc/21/54/47/1072215447.db2.gz BGDSBHYKUGPUQU-GFCCVEGCSA-N 1 0 391.472 -0.507 20 0 GBADRO C[C@H]1CN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC[N@@H+]1CC(C)(C)O ZINC000548385054 1072214735 /nfs/dbraw/zinc/21/47/35/1072214735.db2.gz BGDSBHYKUGPUQU-LBPRGKRZSA-N 1 0 391.472 -0.507 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)c2c(=O)n(C)c1=O ZINC000548404407 1072223511 /nfs/dbraw/zinc/22/35/11/1072223511.db2.gz FLPPFMDFQYNQOA-GFCCVEGCSA-N 1 0 376.461 -0.330 20 0 GBADRO Cn1c2ncn(CC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)c2c(=O)n(C)c1=O ZINC000548404408 1072223268 /nfs/dbraw/zinc/22/32/68/1072223268.db2.gz FLPPFMDFQYNQOA-LBPRGKRZSA-N 1 0 376.461 -0.330 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000548417737 1072229482 /nfs/dbraw/zinc/22/94/82/1072229482.db2.gz JIPDDEZXTLHCOH-CYBMUJFWSA-N 1 0 395.485 -0.244 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000548417738 1072229529 /nfs/dbraw/zinc/22/95/29/1072229529.db2.gz JIPDDEZXTLHCOH-ZDUSSCGKSA-N 1 0 395.485 -0.244 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000548419466 1072229145 /nfs/dbraw/zinc/22/91/45/1072229145.db2.gz QICUTHOGFSSJBQ-UHFFFAOYSA-N 1 0 395.485 -0.244 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548420200 1072230576 /nfs/dbraw/zinc/23/05/76/1072230576.db2.gz JABAUFUXPMFVCJ-CYBMUJFWSA-N 1 0 394.501 -0.407 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548420201 1072230529 /nfs/dbraw/zinc/23/05/29/1072230529.db2.gz JABAUFUXPMFVCJ-ZDUSSCGKSA-N 1 0 394.501 -0.407 20 0 GBADRO C[NH+](C)CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000548456199 1072242515 /nfs/dbraw/zinc/24/25/15/1072242515.db2.gz VZNAUGYVEDCKSO-UHFFFAOYSA-N 1 0 394.497 -0.027 20 0 GBADRO C[N@H+](CCO)C1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000548517494 1072281042 /nfs/dbraw/zinc/28/10/42/1072281042.db2.gz FLKVMWYPACDJIN-UHFFFAOYSA-N 1 0 381.477 -0.051 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000548517516 1072281742 /nfs/dbraw/zinc/28/17/42/1072281742.db2.gz QIWRBFHJSNYISW-KBPBESRZSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000548517517 1072281838 /nfs/dbraw/zinc/28/18/38/1072281838.db2.gz QIWRBFHJSNYISW-KGLIPLIRSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1C ZINC000548517518 1072282137 /nfs/dbraw/zinc/28/21/37/1072282137.db2.gz QIWRBFHJSNYISW-UONOGXRCSA-N 1 0 381.477 -0.053 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC000548517519 1072281908 /nfs/dbraw/zinc/28/19/08/1072281908.db2.gz QIWRBFHJSNYISW-ZIAGYGMSSA-N 1 0 381.477 -0.053 20 0 GBADRO C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1O ZINC000548681598 1072313285 /nfs/dbraw/zinc/31/32/85/1072313285.db2.gz VVFQYIFYWGLBQE-BRWVUGGUSA-N 1 0 376.457 -0.118 20 0 GBADRO C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1O ZINC000548681599 1072313530 /nfs/dbraw/zinc/31/35/30/1072313530.db2.gz VVFQYIFYWGLBQE-GVDBMIGSSA-N 1 0 376.457 -0.118 20 0 GBADRO C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1O ZINC000548681600 1072313824 /nfs/dbraw/zinc/31/38/24/1072313824.db2.gz VVFQYIFYWGLBQE-IXDOHACOSA-N 1 0 376.457 -0.118 20 0 GBADRO C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1O ZINC000548681601 1072313738 /nfs/dbraw/zinc/31/37/38/1072313738.db2.gz VVFQYIFYWGLBQE-YESZJQIVSA-N 1 0 376.457 -0.118 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000548704068 1072324092 /nfs/dbraw/zinc/32/40/92/1072324092.db2.gz KJMMVSWMBKYPDC-HNNXBMFYSA-N 1 0 397.520 -0.446 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000548704069 1072323801 /nfs/dbraw/zinc/32/38/01/1072323801.db2.gz KJMMVSWMBKYPDC-OAHLLOKOSA-N 1 0 397.520 -0.446 20 0 GBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000548706299 1072325042 /nfs/dbraw/zinc/32/50/42/1072325042.db2.gz YTGYPONLUPYCGM-GFCCVEGCSA-N 1 0 391.472 -0.507 20 0 GBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000548706300 1072324899 /nfs/dbraw/zinc/32/48/99/1072324899.db2.gz YTGYPONLUPYCGM-LBPRGKRZSA-N 1 0 391.472 -0.507 20 0 GBADRO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000548716128 1072329617 /nfs/dbraw/zinc/32/96/17/1072329617.db2.gz SHBNMKZMAQQERO-IBGZPJMESA-N 1 0 376.457 -0.634 20 0 GBADRO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000548716130 1072329867 /nfs/dbraw/zinc/32/98/67/1072329867.db2.gz SHBNMKZMAQQERO-LJQANCHMSA-N 1 0 376.457 -0.634 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719604 1072332411 /nfs/dbraw/zinc/33/24/11/1072332411.db2.gz UEJPWTVZSJXUBZ-BEFAXECRSA-N 1 0 376.457 -0.636 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548719605 1072332558 /nfs/dbraw/zinc/33/25/58/1072332558.db2.gz 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C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000548804844 1072497019 /nfs/dbraw/zinc/49/70/19/1072497019.db2.gz TVSCZRPTADVQOK-DLBZAZTESA-N 1 0 383.489 -0.038 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000548813088 1072509585 /nfs/dbraw/zinc/50/95/85/1072509585.db2.gz QGIPEUILNBSKIX-CYBMUJFWSA-N 1 0 389.456 -0.441 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000548813089 1072509491 /nfs/dbraw/zinc/50/94/91/1072509491.db2.gz QGIPEUILNBSKIX-ZDUSSCGKSA-N 1 0 389.456 -0.441 20 0 GBADRO Cn1cc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000548813207 1072507590 /nfs/dbraw/zinc/50/75/90/1072507590.db2.gz LFWRYYLKQKGVLY-KBPBESRZSA-N 1 0 378.454 -0.540 20 0 GBADRO Cn1cc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000548813208 1072507800 /nfs/dbraw/zinc/50/78/00/1072507800.db2.gz LFWRYYLKQKGVLY-KGLIPLIRSA-N 1 0 378.454 -0.540 20 0 GBADRO 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ZINC000548937702 1072827836 /nfs/dbraw/zinc/82/78/36/1072827836.db2.gz OFDXICAKZNUQHB-UHFFFAOYSA-N 1 0 399.517 -0.119 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000548956122 530486756 /nfs/dbraw/zinc/48/67/56/530486756.db2.gz UWEJWYSBFWTBJA-UHFFFAOYSA-N 1 0 391.515 -0.376 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000548958224 530486575 /nfs/dbraw/zinc/48/65/75/530486575.db2.gz ZHPCLMRSGVMRGY-UHFFFAOYSA-N 1 0 380.488 -0.045 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000549139989 1073134363 /nfs/dbraw/zinc/13/43/63/1073134363.db2.gz OQBVOXBVXVNNMN-KRWDZBQOSA-N 1 0 383.537 -0.691 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000549139990 1073134298 /nfs/dbraw/zinc/13/42/98/1073134298.db2.gz OQBVOXBVXVNNMN-QGZVFWFLSA-N 1 0 383.537 -0.691 20 0 GBADRO CCCN(CC(O)C[N@H+](CCC)[C@H]1CC(=O)N(C)C1=O)[C@H]1CC(=O)N(C)C1=O ZINC000549144658 1073136733 /nfs/dbraw/zinc/13/67/33/1073136733.db2.gz 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530487118 /nfs/dbraw/zinc/48/71/18/530487118.db2.gz BJLOOBGHOPWUGE-MFKMUULPSA-N 1 0 390.893 -0.148 20 0 GBADRO C[C@H](CNC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)S(N)(=O)=O ZINC000549383772 530487097 /nfs/dbraw/zinc/48/70/97/530487097.db2.gz BJLOOBGHOPWUGE-ZWNOBZJWSA-N 1 0 390.893 -0.148 20 0 GBADRO CN1CCO[C@@H](C(=O)N2CCC(CCNC(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000549408071 1073252320 /nfs/dbraw/zinc/25/23/20/1073252320.db2.gz DBOMQKVTYGULBO-DLBZAZTESA-N 1 0 382.505 -0.608 20 0 GBADRO CN1CCO[C@@H](C(=O)NCCC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC000549408089 1073252152 /nfs/dbraw/zinc/25/21/52/1073252152.db2.gz DBOMQKVTYGULBO-IAGOWNOFSA-N 1 0 382.505 -0.608 20 0 GBADRO CN1CCO[C@H](C(=O)NCCC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000549408090 1073252267 /nfs/dbraw/zinc/25/22/67/1073252267.db2.gz DBOMQKVTYGULBO-IRXDYDNUSA-N 1 0 382.505 -0.608 20 0 GBADRO CN1CCO[C@@H](C(=O)NCCC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000549408091 1073252202 /nfs/dbraw/zinc/25/22/02/1073252202.db2.gz 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O=C(CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000549512773 1073357393 /nfs/dbraw/zinc/35/73/93/1073357393.db2.gz JCOYQHRZDAJQIL-MRXNPFEDSA-N 1 0 394.497 -0.222 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000549513298 1073358023 /nfs/dbraw/zinc/35/80/23/1073358023.db2.gz VOCGAZMWOPSQAF-UHFFFAOYSA-N 1 0 389.500 -0.404 20 0 GBADRO O=C(CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)N1CC[NH2+]CC1 ZINC000549514544 530486841 /nfs/dbraw/zinc/48/68/41/530486841.db2.gz QSYDESPXDXYGDH-UHFFFAOYSA-N 1 0 386.499 -0.306 20 0 GBADRO Cc1oc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1S(=O)(=O)N1CCCC1 ZINC000549514712 1073360211 /nfs/dbraw/zinc/36/02/11/1073360211.db2.gz ZVPCUZXUYPLOTD-UHFFFAOYSA-N 1 0 384.458 -0.466 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)N2CC[NH2+]CC2)cc1C ZINC000549526365 1073399017 /nfs/dbraw/zinc/39/90/17/1073399017.db2.gz GHFKEJGJBUPZKW-UHFFFAOYSA-N 1 0 382.486 -0.480 20 0 GBADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000549526684 530486967 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ZINC000549790964 1073827674 /nfs/dbraw/zinc/82/76/74/1073827674.db2.gz LBLYAIHYAZSZQQ-OAHLLOKOSA-N 1 0 379.461 -0.033 20 0 GBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000549791282 1073826797 /nfs/dbraw/zinc/82/67/97/1073826797.db2.gz SBXIOOYIVICLJF-CVEARBPZSA-N 1 0 383.489 -0.254 20 0 GBADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000549791283 1073826456 /nfs/dbraw/zinc/82/64/56/1073826456.db2.gz SBXIOOYIVICLJF-HOTGVXAUSA-N 1 0 383.489 -0.254 20 0 GBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000549791284 1073826935 /nfs/dbraw/zinc/82/69/35/1073826935.db2.gz SBXIOOYIVICLJF-HZPDHXFCSA-N 1 0 383.489 -0.254 20 0 GBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000549791285 1073826360 /nfs/dbraw/zinc/82/63/60/1073826360.db2.gz SBXIOOYIVICLJF-JKSUJKDBSA-N 1 0 383.489 -0.254 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 ZINC000549793505 1073828006 /nfs/dbraw/zinc/82/80/06/1073828006.db2.gz 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C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000549799834 1073829260 /nfs/dbraw/zinc/82/92/60/1073829260.db2.gz GWSIQIBUGKPNHN-INIZCTEOSA-N 1 0 399.499 -0.026 20 0 GBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000549799835 1073828636 /nfs/dbraw/zinc/82/86/36/1073828636.db2.gz GWSIQIBUGKPNHN-MRXNPFEDSA-N 1 0 399.499 -0.026 20 0 GBADRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000549800496 530487476 /nfs/dbraw/zinc/48/74/76/530487476.db2.gz PJCNKVHLLZQDST-UHFFFAOYSA-N 1 0 376.460 -0.556 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)CC1 ZINC000549800847 1073828951 /nfs/dbraw/zinc/82/89/51/1073828951.db2.gz VJZJAIFSMNMJOL-DLBZAZTESA-N 1 0 384.521 -0.481 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000549800848 1073829174 /nfs/dbraw/zinc/82/91/74/1073829174.db2.gz VJZJAIFSMNMJOL-IAGOWNOFSA-N 1 0 384.521 -0.481 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000549800849 1073829092 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RMHOAINIZWIUEP-BRWVUGGUSA-N 1 0 376.505 -0.128 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000549809396 1073828743 /nfs/dbraw/zinc/82/87/43/1073828743.db2.gz RMHOAINIZWIUEP-GVDBMIGSSA-N 1 0 376.505 -0.128 20 0 GBADRO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000549809399 1073828720 /nfs/dbraw/zinc/82/87/20/1073828720.db2.gz RMHOAINIZWIUEP-ZACQAIPSSA-N 1 0 376.505 -0.128 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000549824020 1073832458 /nfs/dbraw/zinc/83/24/58/1073832458.db2.gz MAJMURGQSGYIKB-MCIONIFRSA-N 1 0 376.461 -0.449 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000549824024 1073831267 /nfs/dbraw/zinc/83/12/67/1073831267.db2.gz MAJMURGQSGYIKB-MJBXVCDLSA-N 1 0 376.461 -0.449 20 0 GBADRO CNS(=O)(=O)NCC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549854641 1073833484 /nfs/dbraw/zinc/83/34/84/1073833484.db2.gz VQITVPNTYITSEO-UHFFFAOYSA-N 1 0 383.518 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GBADRO CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCCC1=O)N1CC[NH+](C)CC1 ZINC000549918162 1073939588 /nfs/dbraw/zinc/93/95/88/1073939588.db2.gz JARHFICCLBFLHC-MRXNPFEDSA-N 1 0 381.521 -0.497 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000549935895 1073964372 /nfs/dbraw/zinc/96/43/72/1073964372.db2.gz HKRFKXVIPJMIOL-INIZCTEOSA-N 1 0 384.521 -0.481 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000549935896 1073964515 /nfs/dbraw/zinc/96/45/15/1073964515.db2.gz HKRFKXVIPJMIOL-MRXNPFEDSA-N 1 0 384.521 -0.481 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCCCC1 ZINC000549937167 1073973473 /nfs/dbraw/zinc/97/34/73/1073973473.db2.gz KMTSKJISHVBNCA-UHFFFAOYSA-N 1 0 381.521 -0.225 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549938378 1073974638 /nfs/dbraw/zinc/97/46/38/1073974638.db2.gz XZEYWVHPEORDFH-UHFFFAOYSA-N 1 0 395.548 -0.010 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCCCC1 ZINC000549944288 1073988261 /nfs/dbraw/zinc/98/82/61/1073988261.db2.gz BEDWVQIHBOWLMJ-CQSZACIVSA-N 1 0 388.534 -0.093 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549944658 1073984127 /nfs/dbraw/zinc/98/41/27/1073984127.db2.gz KUHCCXFWPBUYCO-UHFFFAOYSA-N 1 0 381.521 -0.353 20 0 GBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000549945001 1072160219 /nfs/dbraw/zinc/16/02/19/1072160219.db2.gz VIIOFWIRGSLGHZ-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000549960831 1072433347 /nfs/dbraw/zinc/43/33/47/1072433347.db2.gz ZEEPUWLEZWYVFU-UHFFFAOYSA-N 1 0 384.521 -0.168 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000549963846 1072481786 /nfs/dbraw/zinc/48/17/86/1072481786.db2.gz FQYAPTQUKOEIMU-UHFFFAOYSA-N 1 0 383.537 -0.110 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000549964499 1072514612 /nfs/dbraw/zinc/51/46/12/1072514612.db2.gz JBDAAOAXZMCKQW-UHFFFAOYSA-N 1 0 395.548 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CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000550348402 1073123647 /nfs/dbraw/zinc/12/36/47/1073123647.db2.gz HGGWEGKJVNLXIH-KRWDZBQOSA-N 1 0 389.500 -0.314 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000550348403 1073123398 /nfs/dbraw/zinc/12/33/98/1073123398.db2.gz HGGWEGKJVNLXIH-QGZVFWFLSA-N 1 0 389.500 -0.314 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1ccccc1 ZINC000550352469 1073124609 /nfs/dbraw/zinc/12/46/09/1073124609.db2.gz COPJKILIKXXNOM-INIZCTEOSA-N 1 0 384.440 -0.258 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cnccn1)c1ccccc1 ZINC000550352470 1073124424 /nfs/dbraw/zinc/12/44/24/1073124424.db2.gz COPJKILIKXXNOM-MRXNPFEDSA-N 1 0 384.440 -0.258 20 0 GBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000550352919 1073124482 /nfs/dbraw/zinc/12/44/82/1073124482.db2.gz BTHBBLXMEFFCCG-GFCCVEGCSA-N 1 0 381.433 -0.286 20 0 GBADRO COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000550352920 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000550364832 1073126185 /nfs/dbraw/zinc/12/61/85/1073126185.db2.gz NWDKMZLNFMVPFJ-MRXNPFEDSA-N 1 0 384.521 -0.217 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000550365647 1073126253 /nfs/dbraw/zinc/12/62/53/1073126253.db2.gz OMHXZLUNNBVPDL-CABCVRRESA-N 1 0 388.534 -0.107 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000550365648 1073126322 /nfs/dbraw/zinc/12/63/22/1073126322.db2.gz OMHXZLUNNBVPDL-GJZGRUSLSA-N 1 0 388.534 -0.107 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000550365649 1073126286 /nfs/dbraw/zinc/12/62/86/1073126286.db2.gz OMHXZLUNNBVPDL-HUUCEWRRSA-N 1 0 388.534 -0.107 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[NH+]1CCCCCC1 ZINC000550365650 1073125807 /nfs/dbraw/zinc/12/58/07/1073125807.db2.gz OMHXZLUNNBVPDL-LSDHHAIUSA-N 1 0 388.534 -0.107 20 0 GBADRO 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CWDMHPZOXLQNQL-ZACQAIPSSA-N 1 0 383.537 -0.789 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)CC1 ZINC000560014987 1072353293 /nfs/dbraw/zinc/35/32/93/1072353293.db2.gz ACIJUXKOQVYSEI-KRWDZBQOSA-N 1 0 395.548 -0.297 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033363 1072354260 /nfs/dbraw/zinc/35/42/60/1072354260.db2.gz NKSQVLDDOFEMJV-HZPDHXFCSA-N 1 0 382.505 -0.070 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000560033366 1072354501 /nfs/dbraw/zinc/35/45/01/1072354501.db2.gz NKSQVLDDOFEMJV-JKSUJKDBSA-N 1 0 382.505 -0.070 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)CC1 ZINC000560035929 1072354376 /nfs/dbraw/zinc/35/43/76/1072354376.db2.gz RTZKVPZCHGNZCR-CVEARBPZSA-N 1 0 382.505 -0.212 20 0 GBADRO CC(C)C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)NCC[NH+](C)C ZINC000560037077 530105654 /nfs/dbraw/zinc/10/56/54/530105654.db2.gz LDMQCSDHHICABW-KBPBESRZSA-N 1 0 376.523 -0.093 20 0 GBADRO CC(C)C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[NH+](C)C ZINC000560037081 530105602 /nfs/dbraw/zinc/10/56/02/530105602.db2.gz LDMQCSDHHICABW-KGLIPLIRSA-N 1 0 376.523 -0.093 20 0 GBADRO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000560225764 1072367448 /nfs/dbraw/zinc/36/74/48/1072367448.db2.gz PCDZZCGYPOIKGB-UHFFFAOYSA-N 1 0 391.472 -0.114 20 0 GBADRO COCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000560251189 1072369158 /nfs/dbraw/zinc/36/91/58/1072369158.db2.gz KHUODBHDDFEZNJ-MRXNPFEDSA-N 1 0 398.504 -0.691 20 0 GBADRO C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)C(C)(C)C[NH+](C)C ZINC000560288619 1072372500 /nfs/dbraw/zinc/37/25/00/1072372500.db2.gz QHDYGMGBCBTNFK-AWEZNQCLSA-N 1 0 394.520 -0.020 20 0 GBADRO CCN(CCCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)S(C)(=O)=O ZINC000560303970 530106501 /nfs/dbraw/zinc/10/65/01/530106501.db2.gz BKVGURYCFQVLRB-UHFFFAOYSA-N 1 0 376.523 -0.282 20 0 GBADRO CCN(CCCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)S(C)(=O)=O ZINC000560304905 530106413 /nfs/dbraw/zinc/10/64/13/530106413.db2.gz QVGBSRGOGNDNNO-UHFFFAOYSA-N 1 0 376.523 -0.235 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC000560308530 1072372867 /nfs/dbraw/zinc/37/28/67/1072372867.db2.gz CXEGZCAZDJIWDP-HUUCEWRRSA-N 1 0 388.534 -0.283 20 0 GBADRO C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NCC[NH+](C)C ZINC000560566591 530107043 /nfs/dbraw/zinc/10/70/43/530107043.db2.gz UWSWYROKUXHHHQ-SECBINFHSA-N 1 0 389.250 -0.046 20 0 GBADRO C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NCC[NH+](C)C ZINC000560566593 530107174 /nfs/dbraw/zinc/10/71/74/530107174.db2.gz UWSWYROKUXHHHQ-VIFPVBQESA-N 1 0 389.250 -0.046 20 0 GBADRO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000560589613 1072396533 /nfs/dbraw/zinc/39/65/33/1072396533.db2.gz KXNMNTFHVIZKFB-HOTGVXAUSA-N 1 0 382.505 -0.070 20 0 GBADRO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)C1 ZINC000560589616 1072396712 /nfs/dbraw/zinc/39/67/12/1072396712.db2.gz KXNMNTFHVIZKFB-HZPDHXFCSA-N 1 0 382.505 -0.070 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000560778289 1072407775 /nfs/dbraw/zinc/40/77/75/1072407775.db2.gz SSNSXUUOQXHDNV-GJZGRUSLSA-N 1 0 388.534 -0.237 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000560778290 1072407244 /nfs/dbraw/zinc/40/72/44/1072407244.db2.gz SSNSXUUOQXHDNV-HUUCEWRRSA-N 1 0 388.534 -0.237 20 0 GBADRO Cc1nnc(N(C)S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)s1 ZINC000560817130 530107291 /nfs/dbraw/zinc/10/72/91/530107291.db2.gz TXKWWFSVWMHWIG-UHFFFAOYSA-N 1 0 385.537 -0.516 20 0 GBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000560901302 530107805 /nfs/dbraw/zinc/10/78/05/530107805.db2.gz XINAMDFPVKAUHD-AWEZNQCLSA-N 1 0 376.523 -0.378 20 0 GBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000560901306 530107864 /nfs/dbraw/zinc/10/78/64/530107864.db2.gz XINAMDFPVKAUHD-CQSZACIVSA-N 1 0 376.523 -0.378 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000561038404 530107719 /nfs/dbraw/zinc/10/77/19/530107719.db2.gz CDVRLIWHANKISZ-YIONKMFJSA-N 1 0 397.563 -0.171 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000561119769 1072429973 /nfs/dbraw/zinc/42/99/73/1072429973.db2.gz AKPSCCWWKGJQNI-ZDUSSCGKSA-N 1 0 380.411 -0.080 20 0 GBADRO O=C(NCCOc1ccc(I)cc1)C(=O)NC1C[NH2+]C1 ZINC000561239241 530108610 /nfs/dbraw/zinc/10/86/10/530108610.db2.gz JIDBLISERDKCMW-UHFFFAOYSA-N 1 0 389.193 -0.126 20 0 GBADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)C(=O)NC1C[NH2+]C1 ZINC000561239360 530108741 /nfs/dbraw/zinc/10/87/41/530108741.db2.gz CIRIQRYGSCFCBP-UHFFFAOYSA-N 1 0 397.273 -0.010 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1ccsc1Br)N1CC[NH2+]CC1 ZINC000561239423 530108842 /nfs/dbraw/zinc/10/88/42/530108842.db2.gz QKWLZWRXVODGDL-UHFFFAOYSA-N 1 0 389.275 -0.325 20 0 GBADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)C(=O)NC1C[NH2+]C1 ZINC000561252196 530108648 /nfs/dbraw/zinc/10/86/48/530108648.db2.gz HBXKCSMMWNCZTI-UHFFFAOYSA-N 1 0 379.218 -0.062 20 0 GBADRO CC[NH2+]CCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000561252668 530108675 /nfs/dbraw/zinc/10/86/75/530108675.db2.gz XWZLVZCEUDKJAU-UHFFFAOYSA-N 1 0 396.922 -0.088 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000561253264 530108636 /nfs/dbraw/zinc/10/86/36/530108636.db2.gz FHCVPGRQUTVRMX-UHFFFAOYSA-N 1 0 390.531 -0.011 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 ZINC000561307930 530109167 /nfs/dbraw/zinc/10/91/67/530109167.db2.gz FKNXKWWDZPRWLY-UHFFFAOYSA-N 1 0 379.523 -0.146 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000561308604 530109092 /nfs/dbraw/zinc/10/90/92/530109092.db2.gz WSQNIHPHGITWCH-UHFFFAOYSA-N 1 0 379.523 -0.100 20 0 GBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459034 530109562 /nfs/dbraw/zinc/10/95/62/530109562.db2.gz GLUVESMMWIAYIT-CYBMUJFWSA-N 1 0 392.547 -0.966 20 0 GBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459037 530109612 /nfs/dbraw/zinc/10/96/12/530109612.db2.gz GLUVESMMWIAYIT-ZDUSSCGKSA-N 1 0 392.547 -0.966 20 0 GBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459326 530109455 /nfs/dbraw/zinc/10/94/55/530109455.db2.gz QWQAKKULOQYOGD-CYBMUJFWSA-N 1 0 392.547 -0.966 20 0 GBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459327 530109661 /nfs/dbraw/zinc/10/96/61/530109661.db2.gz QWQAKKULOQYOGD-ZDUSSCGKSA-N 1 0 392.547 -0.966 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459509 530109652 /nfs/dbraw/zinc/10/96/52/530109652.db2.gz LVNYJFJRPMDYMK-CYBMUJFWSA-N 1 0 394.563 -0.672 20 0 GBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459703 530109579 /nfs/dbraw/zinc/10/95/79/530109579.db2.gz WREXFQFEMSNQFE-UHFFFAOYSA-N 1 0 392.547 -0.965 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460336 530109551 /nfs/dbraw/zinc/10/95/51/530109551.db2.gz WCPFUEOURHXSTN-CYBMUJFWSA-N 1 0 392.547 -0.918 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561460338 530109587 /nfs/dbraw/zinc/10/95/87/530109587.db2.gz WCPFUEOURHXSTN-ZDUSSCGKSA-N 1 0 392.547 -0.918 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)s1 ZINC000561513714 530110032 /nfs/dbraw/zinc/11/00/32/530110032.db2.gz GISOXQAEFCQPEV-UHFFFAOYSA-N 1 0 380.492 -0.337 20 0 GBADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000561530861 530109890 /nfs/dbraw/zinc/10/98/90/530109890.db2.gz AILYJHGYHSYPEY-HNNXBMFYSA-N 1 0 391.515 -0.280 20 0 GBADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000561530864 530109926 /nfs/dbraw/zinc/10/99/26/530109926.db2.gz AILYJHGYHSYPEY-OAHLLOKOSA-N 1 0 391.515 -0.280 20 0 GBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000561582285 530110274 /nfs/dbraw/zinc/11/02/74/530110274.db2.gz ILSRQRWLPYRBMH-CYBMUJFWSA-N 1 0 377.511 -0.987 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561641066 530110367 /nfs/dbraw/zinc/11/03/67/530110367.db2.gz TZINTAOLKCCVBP-HUUCEWRRSA-N 1 0 375.539 -0.312 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000561641067 530110354 /nfs/dbraw/zinc/11/03/54/530110354.db2.gz TZINTAOLKCCVBP-LSDHHAIUSA-N 1 0 375.539 -0.312 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000561644879 530110332 /nfs/dbraw/zinc/11/03/32/530110332.db2.gz HHBJQIBRBRCGGT-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000561644880 530110208 /nfs/dbraw/zinc/11/02/08/530110208.db2.gz HHBJQIBRBRCGGT-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000561730199 530110705 /nfs/dbraw/zinc/11/07/05/530110705.db2.gz LZCDQHFZUVWZHB-UHFFFAOYSA-N 1 0 378.520 -0.504 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccncc1OCC[NH+](C)C ZINC000561730508 530110713 /nfs/dbraw/zinc/11/07/13/530110713.db2.gz QRSOUUGPZXNKOC-UHFFFAOYSA-N 1 0 394.519 -0.619 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000561748370 530110725 /nfs/dbraw/zinc/11/07/25/530110725.db2.gz HJFASELGUCOZEX-UHFFFAOYSA-N 1 0 380.511 -0.696 20 0 GBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000561758419 1072472414 /nfs/dbraw/zinc/47/24/14/1072472414.db2.gz PCUGCBLBSSVOSC-HNNXBMFYSA-N 1 0 381.521 -0.545 20 0 GBADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561921984 530110869 /nfs/dbraw/zinc/11/08/69/530110869.db2.gz DEBKFVHFGUZRSD-GASCZTMLSA-N 1 0 376.523 -0.127 20 0 GBADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000561921986 530111028 /nfs/dbraw/zinc/11/10/28/530111028.db2.gz DEBKFVHFGUZRSD-GJZGRUSLSA-N 1 0 376.523 -0.127 20 0 GBADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000561921987 530110979 /nfs/dbraw/zinc/11/09/79/530110979.db2.gz DEBKFVHFGUZRSD-HUUCEWRRSA-N 1 0 376.523 -0.127 20 0 GBADRO CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000561946361 530111241 /nfs/dbraw/zinc/11/12/41/530111241.db2.gz HBSTXPRWKNSGKC-CQSZACIVSA-N 1 0 376.523 -0.235 20 0 GBADRO CCCCS(=O)(=O)NCC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000562181325 530111886 /nfs/dbraw/zinc/11/18/86/530111886.db2.gz GUDOWTAGTCXGRN-UHFFFAOYSA-N 1 0 376.523 -0.186 20 0 GBADRO Cc1oc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1S(N)(=O)=O ZINC000562195333 1072515047 /nfs/dbraw/zinc/51/50/47/1072515047.db2.gz WAWDMPUQCCJMJF-UHFFFAOYSA-N 1 0 386.474 -0.043 20 0 GBADRO COCCN(C(=O)C[NH2+][C@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562585081 530112636 /nfs/dbraw/zinc/11/26/36/530112636.db2.gz PFJGVEXTPFFMPH-GDBMZVCRSA-N 1 0 378.491 -0.566 20 0 GBADRO COCCN(C(=O)C[NH2+][C@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000562585082 530112701 /nfs/dbraw/zinc/11/27/01/530112701.db2.gz PFJGVEXTPFFMPH-GOEBONIOSA-N 1 0 378.491 -0.566 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000562585083 530112727 /nfs/dbraw/zinc/11/27/27/530112727.db2.gz PFJGVEXTPFFMPH-HOCLYGCPSA-N 1 0 378.491 -0.566 20 0 GBADRO COCCN(C(=O)C[NH2+][C@@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562585084 530112760 /nfs/dbraw/zinc/11/27/60/530112760.db2.gz PFJGVEXTPFFMPH-ZBFHGGJFSA-N 1 0 378.491 -0.566 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000562745893 530113282 /nfs/dbraw/zinc/11/32/82/530113282.db2.gz SKHAYJFLAVZDMP-JTQLQIEISA-N 1 0 389.250 -0.326 20 0 GBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000562745894 530112998 /nfs/dbraw/zinc/11/29/98/530112998.db2.gz SKHAYJFLAVZDMP-SNVBAGLBSA-N 1 0 389.250 -0.326 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000562778124 1072549961 /nfs/dbraw/zinc/54/99/61/1072549961.db2.gz FECDNMLJVQVNIM-QWHCGFSZSA-N 1 0 395.485 -0.245 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000562778126 1072549563 /nfs/dbraw/zinc/54/95/63/1072549563.db2.gz FECDNMLJVQVNIM-STQMWFEESA-N 1 0 395.485 -0.245 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000562832423 530113263 /nfs/dbraw/zinc/11/32/63/530113263.db2.gz FDSOWVSKXGOWJU-UHFFFAOYSA-N 1 0 376.523 -0.283 20 0 GBADRO [NH3+]CCCCNC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000562833193 1072554160 /nfs/dbraw/zinc/55/41/60/1072554160.db2.gz XRUSBPHNDBDIPZ-UHFFFAOYSA-N 1 0 376.457 -0.043 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2 ZINC000562836928 1072552899 /nfs/dbraw/zinc/55/28/99/1072552899.db2.gz FMMPZILOXAFGKK-SJCJKPOMSA-N 1 0 396.517 -0.591 20 0 GBADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000562905621 1072563972 /nfs/dbraw/zinc/56/39/72/1072563972.db2.gz SYMJSPPPZYSRKX-WBVHZDCISA-N 1 0 390.488 -0.200 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000562961707 1072227082 /nfs/dbraw/zinc/22/70/82/1072227082.db2.gz SMZTXXIWJHEVII-KRWDZBQOSA-N 1 0 393.532 -0.225 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000562961708 1072227047 /nfs/dbraw/zinc/22/70/47/1072227047.db2.gz SMZTXXIWJHEVII-QGZVFWFLSA-N 1 0 393.532 -0.225 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)[C@@H](C[NH3+])C1 ZINC000562961711 1072227136 /nfs/dbraw/zinc/22/71/36/1072227136.db2.gz UTBBVCUVRRKGGS-INIZCTEOSA-N 1 0 391.447 -0.789 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)[C@H](C[NH3+])C1 ZINC000562961712 1072227152 /nfs/dbraw/zinc/22/71/52/1072227152.db2.gz UTBBVCUVRRKGGS-MRXNPFEDSA-N 1 0 391.447 -0.789 20 0 GBADRO COc1cccc(C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)n2nnnc2C)c1 ZINC000562973374 1072229491 /nfs/dbraw/zinc/22/94/91/1072229491.db2.gz CURHVJCCDYQTSA-INIZCTEOSA-N 1 0 387.444 -0.678 20 0 GBADRO COc1cccc(C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)n2nnnc2C)c1 ZINC000562973375 1072229390 /nfs/dbraw/zinc/22/93/90/1072229390.db2.gz CURHVJCCDYQTSA-MRXNPFEDSA-N 1 0 387.444 -0.678 20 0 GBADRO O=C(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000562973510 530128906 /nfs/dbraw/zinc/12/89/06/530128906.db2.gz OKVLXRILSGPOTP-GFCCVEGCSA-N 1 0 386.499 -0.551 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000562973511 530128941 /nfs/dbraw/zinc/12/89/41/530128941.db2.gz OKVLXRILSGPOTP-LBPRGKRZSA-N 1 0 386.499 -0.551 20 0 GBADRO CSC[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000562973548 1072229120 /nfs/dbraw/zinc/22/91/20/1072229120.db2.gz JXBLYDDVUWLHKS-HZSPNIEDSA-N 1 0 396.513 -0.559 20 0 GBADRO CSC[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000562973549 1072229347 /nfs/dbraw/zinc/22/93/47/1072229347.db2.gz JXBLYDDVUWLHKS-MELADBBJSA-N 1 0 396.513 -0.559 20 0 GBADRO CSC[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000562973550 1072229426 /nfs/dbraw/zinc/22/94/26/1072229426.db2.gz JXBLYDDVUWLHKS-MGPQQGTHSA-N 1 0 396.513 -0.559 20 0 GBADRO CSC[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000562973551 1072229271 /nfs/dbraw/zinc/22/92/71/1072229271.db2.gz JXBLYDDVUWLHKS-MJBXVCDLSA-N 1 0 396.513 -0.559 20 0 GBADRO CCOc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1OCC(=O)OC ZINC000562973609 1072229310 /nfs/dbraw/zinc/22/93/10/1072229310.db2.gz PANFTMLTRLLYGZ-UHFFFAOYSA-N 1 0 379.413 -0.201 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cn1C ZINC000562976791 530131051 /nfs/dbraw/zinc/13/10/51/530131051.db2.gz YNPUAAPGIBONNE-CYBMUJFWSA-N 1 0 387.531 -0.343 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cn1C ZINC000562976794 530130869 /nfs/dbraw/zinc/13/08/69/530130869.db2.gz YNPUAAPGIBONNE-ZDUSSCGKSA-N 1 0 387.531 -0.343 20 0 GBADRO CN(CC[NH2+]C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000563002208 530133513 /nfs/dbraw/zinc/13/35/13/530133513.db2.gz CTIQGXBMCAQZGN-HNNXBMFYSA-N 1 0 375.466 -0.271 20 0 GBADRO CN(CC[NH2+]C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000563002209 530133466 /nfs/dbraw/zinc/13/34/66/530133466.db2.gz CTIQGXBMCAQZGN-OAHLLOKOSA-N 1 0 375.466 -0.271 20 0 GBADRO CN1CC[C@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000563023557 1072241857 /nfs/dbraw/zinc/24/18/57/1072241857.db2.gz IAANTEJVNWSPEQ-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CN1CC[C@@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000563023558 1072241692 /nfs/dbraw/zinc/24/16/92/1072241692.db2.gz IAANTEJVNWSPEQ-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000563056308 530144750 /nfs/dbraw/zinc/14/47/50/530144750.db2.gz IPFYXICCDPOKAG-NSHDSACASA-N 1 0 375.472 -0.092 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000563056733 1073299387 /nfs/dbraw/zinc/29/93/87/1073299387.db2.gz OZDPARONMFLLAU-AWEZNQCLSA-N 1 0 387.433 -0.015 20 0 GBADRO CN1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000563060740 1073300350 /nfs/dbraw/zinc/30/03/50/1073300350.db2.gz NFCOKQXTEHCVKC-KRWDZBQOSA-N 1 0 387.484 -0.441 20 0 GBADRO CN1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000563060741 1073300331 /nfs/dbraw/zinc/30/03/31/1073300331.db2.gz NFCOKQXTEHCVKC-QGZVFWFLSA-N 1 0 387.484 -0.441 20 0 GBADRO [NH3+]CCCn1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)nn1 ZINC000563063979 1073309383 /nfs/dbraw/zinc/30/93/83/1073309383.db2.gz CVFKISVIIVJQIM-UHFFFAOYSA-N 1 0 385.472 -0.299 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000563065434 530146119 /nfs/dbraw/zinc/14/61/19/530146119.db2.gz VREKZQVVQXSOQP-NSHDSACASA-N 1 0 391.471 -0.724 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)s1 ZINC000563065661 530146112 /nfs/dbraw/zinc/14/61/12/530146112.db2.gz AULRTSKKBAVXIE-JTQLQIEISA-N 1 0 384.487 -0.070 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)s1 ZINC000563065668 530146455 /nfs/dbraw/zinc/14/64/55/530146455.db2.gz AULRTSKKBAVXIE-SNVBAGLBSA-N 1 0 384.487 -0.070 20 0 GBADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000563083262 530177129 /nfs/dbraw/zinc/17/71/29/530177129.db2.gz DAAMRZAYOZVSLG-BYNSBNAKSA-N 1 0 376.475 -0.816 20 0 GBADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000563083263 530177133 /nfs/dbraw/zinc/17/71/33/530177133.db2.gz DAAMRZAYOZVSLG-GBJTYRQASA-N 1 0 376.475 -0.816 20 0 GBADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000563083264 530176958 /nfs/dbraw/zinc/17/69/58/530176958.db2.gz DAAMRZAYOZVSLG-KBUPBQIOSA-N 1 0 376.475 -0.816 20 0 GBADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000563083265 530177005 /nfs/dbraw/zinc/17/70/05/530177005.db2.gz DAAMRZAYOZVSLG-LXTVHRRPSA-N 1 0 376.475 -0.816 20 0 GBADRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000563083629 1073500486 /nfs/dbraw/zinc/50/04/86/1073500486.db2.gz RZPYNYAFPWSJSE-IAGOWNOFSA-N 1 0 377.441 -0.221 20 0 GBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563088521 1072261600 /nfs/dbraw/zinc/26/16/00/1072261600.db2.gz JQCWQMYECUNWNF-HNNXBMFYSA-N 1 0 399.499 -0.116 20 0 GBADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563088522 1072261737 /nfs/dbraw/zinc/26/17/37/1072261737.db2.gz JQCWQMYECUNWNF-OAHLLOKOSA-N 1 0 399.499 -0.116 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)COC3CC[NH2+]CC3)CC2)cn1C ZINC000563089838 1072262130 /nfs/dbraw/zinc/26/21/30/1072262130.db2.gz BGBMUDNKKIXKGU-UHFFFAOYSA-N 1 0 385.490 -0.670 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)cn1C ZINC000563091007 1073576233 /nfs/dbraw/zinc/57/62/33/1073576233.db2.gz YNMMLKGZDSMIEP-UHFFFAOYSA-N 1 0 399.517 -0.152 20 0 GBADRO O=C(N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000563094283 1072262504 /nfs/dbraw/zinc/26/25/04/1072262504.db2.gz ABVQUHAVODXIOB-AOIWGVFYSA-N 1 0 393.509 -0.780 20 0 GBADRO O=C(N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000563094287 1073584339 /nfs/dbraw/zinc/58/43/39/1073584339.db2.gz ABVQUHAVODXIOB-LMMKCTJWSA-N 1 0 393.509 -0.780 20 0 GBADRO O=C(N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000563094288 1073583742 /nfs/dbraw/zinc/58/37/42/1073583742.db2.gz ABVQUHAVODXIOB-ZHALLVOQSA-N 1 0 393.509 -0.780 20 0 GBADRO O=C(N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000563094289 1073584329 /nfs/dbraw/zinc/58/43/29/1073584329.db2.gz ABVQUHAVODXIOB-ZIFCJYIRSA-N 1 0 393.509 -0.780 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000563096959 1072262570 /nfs/dbraw/zinc/26/25/70/1072262570.db2.gz ORIHRTIKQOMPPW-CVEARBPZSA-N 1 0 392.504 -0.268 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000563096964 1072263098 /nfs/dbraw/zinc/26/30/98/1072263098.db2.gz ORIHRTIKQOMPPW-HOTGVXAUSA-N 1 0 392.504 -0.268 20 0 GBADRO CO[C@@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000563096967 1072262960 /nfs/dbraw/zinc/26/29/60/1072262960.db2.gz ORIHRTIKQOMPPW-HZPDHXFCSA-N 1 0 392.504 -0.268 20 0 GBADRO CO[C@H](C[NH3+])CC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000563096969 1072262794 /nfs/dbraw/zinc/26/27/94/1072262794.db2.gz ORIHRTIKQOMPPW-JKSUJKDBSA-N 1 0 392.504 -0.268 20 0 GBADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000563098940 1072263031 /nfs/dbraw/zinc/26/30/31/1072263031.db2.gz DDUFLOOMWGSIDY-UHFFFAOYSA-N 1 0 388.472 -0.010 20 0 GBADRO COCCN1C(=O)C[C@H](CNC(=O)COC2C[NH2+]C2)[C@H]1c1cnn(C)c1C ZINC000563099649 1072262821 /nfs/dbraw/zinc/26/28/21/1072262821.db2.gz LHSVKULSNMXHCC-ACJLOTCBSA-N 1 0 379.461 -0.631 20 0 GBADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)[NH2+]1 ZINC000563100438 1072262695 /nfs/dbraw/zinc/26/26/95/1072262695.db2.gz QZWXCCBQECXFJH-BETUJISGSA-N 1 0 382.486 -0.125 20 0 GBADRO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)[NH2+]1 ZINC000563100439 1072262511 /nfs/dbraw/zinc/26/25/11/1072262511.db2.gz QZWXCCBQECXFJH-CHWSQXEVSA-N 1 0 382.486 -0.125 20 0 GBADRO C[C@H]1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)[NH2+]1 ZINC000563100440 1073587634 /nfs/dbraw/zinc/58/76/34/1073587634.db2.gz QZWXCCBQECXFJH-STQMWFEESA-N 1 0 382.486 -0.125 20 0 GBADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000563100584 1073587238 /nfs/dbraw/zinc/58/72/38/1073587238.db2.gz YJZKUWUJKMZFKG-KRWDZBQOSA-N 1 0 381.521 -0.096 20 0 GBADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000563100589 1073587690 /nfs/dbraw/zinc/58/76/90/1073587690.db2.gz YJZKUWUJKMZFKG-QGZVFWFLSA-N 1 0 381.521 -0.096 20 0 GBADRO CN1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000563101316 530191788 /nfs/dbraw/zinc/19/17/88/530191788.db2.gz BQOBGASUSRALFU-CYBMUJFWSA-N 1 0 388.515 -0.516 20 0 GBADRO CN1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000563101317 530191701 /nfs/dbraw/zinc/19/17/01/530191701.db2.gz BQOBGASUSRALFU-ZDUSSCGKSA-N 1 0 388.515 -0.516 20 0 GBADRO C[C@@]1(c2ccc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)cc2)NC(=O)NC1=O ZINC000563101555 1072262873 /nfs/dbraw/zinc/26/28/73/1072262873.db2.gz AKPBMEIJGLYXQD-KRWDZBQOSA-N 1 0 384.400 -0.479 20 0 GBADRO C[C@]1(c2ccc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)cc2)NC(=O)NC1=O ZINC000563101556 1072262922 /nfs/dbraw/zinc/26/29/22/1072262922.db2.gz AKPBMEIJGLYXQD-QGZVFWFLSA-N 1 0 384.400 -0.479 20 0 GBADRO C[C@@]1(c2cccc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)c2)NC(=O)NC1=O ZINC000563101565 1072262726 /nfs/dbraw/zinc/26/27/26/1072262726.db2.gz ATMOPPAQDALEJS-KRWDZBQOSA-N 1 0 384.400 -0.479 20 0 GBADRO C[C@]1(c2cccc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)c2)NC(=O)NC1=O ZINC000563101566 1072262786 /nfs/dbraw/zinc/26/27/86/1072262786.db2.gz ATMOPPAQDALEJS-QGZVFWFLSA-N 1 0 384.400 -0.479 20 0 GBADRO CC(=O)NCCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000563102168 1072262534 /nfs/dbraw/zinc/26/25/34/1072262534.db2.gz MAIUDDPPYGLTFI-UHFFFAOYSA-N 1 0 391.428 -0.311 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000563102218 1072262585 /nfs/dbraw/zinc/26/25/85/1072262585.db2.gz XYUPJTCUCNOLTH-UHFFFAOYSA-N 1 0 379.446 -0.283 20 0 GBADRO C[NH2+]CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000563104979 1073587980 /nfs/dbraw/zinc/58/79/80/1073587980.db2.gz YKWMNECHCBKUMV-UHFFFAOYSA-N 1 0 382.486 -0.088 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC2(CCC2)O1 ZINC000563107136 1073588487 /nfs/dbraw/zinc/58/84/87/1073588487.db2.gz ANHKXUZVRIPONR-LSDHHAIUSA-N 1 0 380.489 -0.140 20 0 GBADRO COC[C@@]1(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CCC[NH2+]1 ZINC000563108059 1073588470 /nfs/dbraw/zinc/58/84/70/1073588470.db2.gz YNNVEOOTKPZUDC-INIZCTEOSA-N 1 0 389.449 -0.091 20 0 GBADRO O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000563110003 1073588541 /nfs/dbraw/zinc/58/85/41/1073588541.db2.gz YPFXVUACKDJXKE-CHWSQXEVSA-N 1 0 378.395 -0.328 20 0 GBADRO O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000563110004 1073588361 /nfs/dbraw/zinc/58/83/61/1073588361.db2.gz YPFXVUACKDJXKE-OLZOCXBDSA-N 1 0 378.395 -0.328 20 0 GBADRO O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000563110005 1073588511 /nfs/dbraw/zinc/58/85/11/1073588511.db2.gz YPFXVUACKDJXKE-QWHCGFSZSA-N 1 0 378.395 -0.328 20 0 GBADRO O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000563110006 1073588816 /nfs/dbraw/zinc/58/88/16/1073588816.db2.gz YPFXVUACKDJXKE-STQMWFEESA-N 1 0 378.395 -0.328 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000563113955 1072270665 /nfs/dbraw/zinc/27/06/65/1072270665.db2.gz XGRHPHPHXDCKSO-BMFZPTHFSA-N 1 0 377.489 -0.008 20 0 GBADRO [NH3+]CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(F)F ZINC000563117418 1072271731 /nfs/dbraw/zinc/27/17/31/1072271731.db2.gz ZFOTWQRHAZUGBM-GFCCVEGCSA-N 1 0 390.412 -0.481 20 0 GBADRO [NH3+]CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(F)F ZINC000563117419 1072271820 /nfs/dbraw/zinc/27/18/20/1072271820.db2.gz ZFOTWQRHAZUGBM-LBPRGKRZSA-N 1 0 390.412 -0.481 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1F ZINC000563129353 530192669 /nfs/dbraw/zinc/19/26/69/530192669.db2.gz QQXPCUNOKIBYMT-LLVKDONJSA-N 1 0 394.494 -0.231 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1F ZINC000563129354 530192703 /nfs/dbraw/zinc/19/27/03/530192703.db2.gz QQXPCUNOKIBYMT-NSHDSACASA-N 1 0 394.494 -0.231 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000563129793 1073595348 /nfs/dbraw/zinc/59/53/48/1073595348.db2.gz QARYUOGVQHGZHY-UHFFFAOYSA-N 1 0 381.521 -0.447 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000563131466 1073595869 /nfs/dbraw/zinc/59/58/69/1073595869.db2.gz CISWZMIHAZCJCB-OAHLLOKOSA-N 1 0 386.518 -0.387 20 0 GBADRO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000563141283 1073598546 /nfs/dbraw/zinc/59/85/46/1073598546.db2.gz HNPZTBGEIJQKIB-KGLIPLIRSA-N 1 0 391.476 -0.584 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])S(C)(=O)=O ZINC000563142422 1072284656 /nfs/dbraw/zinc/28/46/56/1072284656.db2.gz KNAAPBSDUOHYHR-INIZCTEOSA-N 1 0 396.513 -0.141 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+])S(C)(=O)=O ZINC000563142429 1073598855 /nfs/dbraw/zinc/59/88/55/1073598855.db2.gz KNAAPBSDUOHYHR-MRXNPFEDSA-N 1 0 396.513 -0.141 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000563142876 1072285817 /nfs/dbraw/zinc/28/58/17/1072285817.db2.gz QEYCRLUAZKQACR-IBGZPJMESA-N 1 0 385.512 -0.163 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000563142885 1073598396 /nfs/dbraw/zinc/59/83/96/1073598396.db2.gz QEYCRLUAZKQACR-LJQANCHMSA-N 1 0 385.512 -0.163 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563142945 1073598335 /nfs/dbraw/zinc/59/83/35/1073598335.db2.gz LSEXSPIPNJLQBT-CHWSQXEVSA-N 1 0 381.454 -0.323 20 0 GBADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563142951 1072285855 /nfs/dbraw/zinc/28/58/55/1072285855.db2.gz LSEXSPIPNJLQBT-OLZOCXBDSA-N 1 0 381.454 -0.323 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563142952 1072285641 /nfs/dbraw/zinc/28/56/41/1072285641.db2.gz LSEXSPIPNJLQBT-QWHCGFSZSA-N 1 0 381.454 -0.323 20 0 GBADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563142955 1072285429 /nfs/dbraw/zinc/28/54/29/1072285429.db2.gz LSEXSPIPNJLQBT-STQMWFEESA-N 1 0 381.454 -0.323 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000563143378 1073599061 /nfs/dbraw/zinc/59/90/61/1073599061.db2.gz MXURKLLFIWZESI-KBPBESRZSA-N 1 0 395.481 -0.205 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000563143380 1073598325 /nfs/dbraw/zinc/59/83/25/1073598325.db2.gz MXURKLLFIWZESI-KGLIPLIRSA-N 1 0 395.481 -0.205 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000563143382 1073598299 /nfs/dbraw/zinc/59/82/99/1073598299.db2.gz MXURKLLFIWZESI-UONOGXRCSA-N 1 0 395.481 -0.205 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 ZINC000563143383 1072284949 /nfs/dbraw/zinc/28/49/49/1072284949.db2.gz MXURKLLFIWZESI-ZIAGYGMSSA-N 1 0 395.481 -0.205 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccc(OC)c(F)c1 ZINC000563143641 1072285655 /nfs/dbraw/zinc/28/56/55/1072285655.db2.gz NZGRTYJRHPIBHM-GXTWGEPZSA-N 1 0 394.447 -0.325 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccc(OC)c(F)c1 ZINC000563143675 1072285438 /nfs/dbraw/zinc/28/54/38/1072285438.db2.gz NZGRTYJRHPIBHM-JSGCOSHPSA-N 1 0 394.447 -0.325 20 0 GBADRO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563144247 1073598467 /nfs/dbraw/zinc/59/84/67/1073598467.db2.gz PWAWIAGRYNCNEK-LBPRGKRZSA-N 1 0 383.470 -0.029 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C[C@@H]1C[NH3+] ZINC000563145691 1073599022 /nfs/dbraw/zinc/59/90/22/1073599022.db2.gz ZNVMHCXIFALCKM-HZSPNIEDSA-N 1 0 395.481 -0.219 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000563145829 1073598561 /nfs/dbraw/zinc/59/85/61/1073598561.db2.gz CUFHFHWDIQXIFX-UHFFFAOYSA-N 1 0 396.469 -0.942 20 0 GBADRO CN(C)c1nc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)cc(=O)[nH]1 ZINC000563146662 1073598996 /nfs/dbraw/zinc/59/89/96/1073598996.db2.gz JBJXJZAUEZRPIU-UHFFFAOYSA-N 1 0 380.430 -0.263 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC[NH3+])CCO)CC2)cc1C ZINC000563150917 1073602810 /nfs/dbraw/zinc/60/28/10/1073602810.db2.gz DPZQFJAYDIMHAZ-UHFFFAOYSA-N 1 0 398.529 -0.611 20 0 GBADRO CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000563152954 1072288078 /nfs/dbraw/zinc/28/80/78/1072288078.db2.gz UNJFXAHPOKSMNY-CYBMUJFWSA-N 1 0 398.485 -0.773 20 0 GBADRO CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C[NH3+])C1 ZINC000563152955 1072288252 /nfs/dbraw/zinc/28/82/52/1072288252.db2.gz UNJFXAHPOKSMNY-ZDUSSCGKSA-N 1 0 398.485 -0.773 20 0 GBADRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000563155193 1073603660 /nfs/dbraw/zinc/60/36/60/1073603660.db2.gz YOBYVBZXCRGQIW-QGZVFWFLSA-N 1 0 394.497 -0.405 20 0 GBADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000563157038 1072289266 /nfs/dbraw/zinc/28/92/66/1072289266.db2.gz HYHRCKWBYXZEHT-TXEJJXNPSA-N 1 0 394.453 -0.412 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563158550 1072289166 /nfs/dbraw/zinc/28/91/66/1072289166.db2.gz DQXQMOCZJSVXRF-GFCCVEGCSA-N 1 0 382.486 -0.042 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563158551 1072288888 /nfs/dbraw/zinc/28/88/88/1072288888.db2.gz DQXQMOCZJSVXRF-LBPRGKRZSA-N 1 0 382.486 -0.042 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563163019 1072290890 /nfs/dbraw/zinc/29/08/90/1072290890.db2.gz JZWVCLHOOJGNTR-XFBWCDHKSA-N 1 0 394.497 -0.043 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCC[NH2+]C2CC2)s1 ZINC000563163201 530198304 /nfs/dbraw/zinc/19/83/04/530198304.db2.gz DUBOCONRKRIPSK-UHFFFAOYSA-N 1 0 388.515 -0.079 20 0 GBADRO CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000563209938 1072299761 /nfs/dbraw/zinc/29/97/61/1072299761.db2.gz AXECRSATADONGE-CYBMUJFWSA-N 1 0 380.470 -0.423 20 0 GBADRO CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](C[NH3+])C1 ZINC000563209944 1072299653 /nfs/dbraw/zinc/29/96/53/1072299653.db2.gz AXECRSATADONGE-ZDUSSCGKSA-N 1 0 380.470 -0.423 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240527 530202720 /nfs/dbraw/zinc/20/27/20/530202720.db2.gz NCYBWNGNYPXZDV-HNNXBMFYSA-N 1 0 377.555 -0.401 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000563240528 530203009 /nfs/dbraw/zinc/20/30/09/530203009.db2.gz NCYBWNGNYPXZDV-OAHLLOKOSA-N 1 0 377.555 -0.401 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000563246789 530202706 /nfs/dbraw/zinc/20/27/06/530202706.db2.gz BVDYBXAGRNNYJR-HNNXBMFYSA-N 1 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C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000563269528 530203825 /nfs/dbraw/zinc/20/38/25/530203825.db2.gz VCALTWNXCAMJNW-HNNXBMFYSA-N 1 0 385.515 -0.032 20 0 GBADRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000563269532 530203952 /nfs/dbraw/zinc/20/39/52/530203952.db2.gz VCALTWNXCAMJNW-OAHLLOKOSA-N 1 0 385.515 -0.032 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000563289785 1072327230 /nfs/dbraw/zinc/32/72/30/1072327230.db2.gz WUDGMBSOTOBYJQ-UHFFFAOYSA-N 1 0 388.428 -0.173 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000563301050 530204366 /nfs/dbraw/zinc/20/43/66/530204366.db2.gz FLGXTRFNBUSESR-AWEZNQCLSA-N 1 0 375.491 -0.764 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000563301051 530204376 /nfs/dbraw/zinc/20/43/76/530204376.db2.gz FLGXTRFNBUSESR-CQSZACIVSA-N 1 0 375.491 -0.764 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000563328212 1072347162 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-0.192 20 0 GBADRO CCn1c2nnc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2c2ccccc2c1=O ZINC000563439471 1072388557 /nfs/dbraw/zinc/38/85/57/1072388557.db2.gz GLLLGTMCLOHTSC-OCCSQVGLSA-N 1 0 381.440 -0.192 20 0 GBADRO CCn1c2nnc(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2c2ccccc2c1=O ZINC000563439472 1072388362 /nfs/dbraw/zinc/38/83/62/1072388362.db2.gz GLLLGTMCLOHTSC-TZMCWYRMSA-N 1 0 381.440 -0.192 20 0 GBADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440641 1072387995 /nfs/dbraw/zinc/38/79/95/1072387995.db2.gz IQCDEENYFQXTHG-ARFHVFGLSA-N 1 0 388.468 -0.081 20 0 GBADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440642 1072388534 /nfs/dbraw/zinc/38/85/34/1072388534.db2.gz IQCDEENYFQXTHG-BZUAXINKSA-N 1 0 388.468 -0.081 20 0 GBADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563440643 1072388298 /nfs/dbraw/zinc/38/82/98/1072388298.db2.gz IQCDEENYFQXTHG-OAGGEKHMSA-N 1 0 388.468 -0.081 20 0 GBADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440644 1072388481 /nfs/dbraw/zinc/38/84/81/1072388481.db2.gz IQCDEENYFQXTHG-XHSDSOJGSA-N 1 0 388.468 -0.081 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C ZINC000563440671 1072388106 /nfs/dbraw/zinc/38/81/06/1072388106.db2.gz JFJFWKBHVMYIJE-GDBMZVCRSA-N 1 0 394.497 -0.306 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C ZINC000563440672 1072388035 /nfs/dbraw/zinc/38/80/35/1072388035.db2.gz JFJFWKBHVMYIJE-GOEBONIOSA-N 1 0 394.497 -0.306 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C ZINC000563440673 1072388314 /nfs/dbraw/zinc/38/83/14/1072388314.db2.gz JFJFWKBHVMYIJE-HOCLYGCPSA-N 1 0 394.497 -0.306 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C ZINC000563440674 1072388060 /nfs/dbraw/zinc/38/80/60/1072388060.db2.gz JFJFWKBHVMYIJE-ZBFHGGJFSA-N 1 0 394.497 -0.306 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000563445453 530207355 /nfs/dbraw/zinc/20/73/55/530207355.db2.gz FWKTWJDHEJYBRI-HNNXBMFYSA-N 1 0 388.515 -0.545 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000563445454 530207211 /nfs/dbraw/zinc/20/72/11/530207211.db2.gz FWKTWJDHEJYBRI-OAHLLOKOSA-N 1 0 388.515 -0.545 20 0 GBADRO Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1=O ZINC000563448864 530207245 /nfs/dbraw/zinc/20/72/45/530207245.db2.gz PYMPDCOFGBELHV-NXEZZACHSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1=O ZINC000563448865 530207237 /nfs/dbraw/zinc/20/72/37/530207237.db2.gz PYMPDCOFGBELHV-UWVGGRQHSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1=O ZINC000563448866 530207394 /nfs/dbraw/zinc/20/73/94/530207394.db2.gz PYMPDCOFGBELHV-VHSXEESVSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1=O ZINC000563448867 530207366 /nfs/dbraw/zinc/20/73/66/530207366.db2.gz PYMPDCOFGBELHV-ZJUUUORDSA-N 1 0 384.234 -0.077 20 0 GBADRO COc1ccc(NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1Br ZINC000563478858 530207259 /nfs/dbraw/zinc/20/72/59/530207259.db2.gz XBVUWDVHMQMXFA-UHFFFAOYSA-N 1 0 399.245 -0.056 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000563545077 1072427376 /nfs/dbraw/zinc/42/73/76/1072427376.db2.gz HNUQYQWOQYITPH-UHFFFAOYSA-N 1 0 388.472 -0.812 20 0 GBADRO CN(CCC[NH3+])C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000563548827 530207623 /nfs/dbraw/zinc/20/76/23/530207623.db2.gz OGHDBOKEVMUQCU-UHFFFAOYSA-N 1 0 394.856 -0.319 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548870 1072428925 /nfs/dbraw/zinc/42/89/25/1072428925.db2.gz AQGGMBWENHELIY-CVEARBPZSA-N 1 0 377.514 -0.364 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)CCN2C1=O ZINC000563548871 1072429131 /nfs/dbraw/zinc/42/91/31/1072429131.db2.gz AQGGMBWENHELIY-HOTGVXAUSA-N 1 0 377.514 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394.233 0.268 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584163 530172911 /nfs/dbraw/zinc/17/29/11/530172911.db2.gz FRFXQPIWBCQMKL-VHSXEESVSA-N 1 0 394.233 0.268 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)CCN2C1=O ZINC000564584164 530172962 /nfs/dbraw/zinc/17/29/62/530172962.db2.gz FRFXQPIWBCQMKL-ZJUUUORDSA-N 1 0 394.233 0.268 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N(C)C ZINC000564592366 530495529 /nfs/dbraw/zinc/49/55/29/530495529.db2.gz RISQPCBPMCLQSM-CYBMUJFWSA-N 1 0 377.511 -0.880 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N(C)C ZINC000564592380 530495835 /nfs/dbraw/zinc/49/58/35/530495835.db2.gz RISQPCBPMCLQSM-ZDUSSCGKSA-N 1 0 377.511 -0.880 20 0 GBADRO CSC1(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[NH+](C)CC1 ZINC000564597974 530495809 /nfs/dbraw/zinc/49/58/09/530495809.db2.gz OTQKZELIDRZTAC-UHFFFAOYSA-N 1 0 375.520 -0.358 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)s1 ZINC000564617332 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ZINC000565362451 530496681 /nfs/dbraw/zinc/49/66/81/530496681.db2.gz MDLVVTUEPGTFLZ-NSHDSACASA-N 1 0 376.429 -0.347 20 0 GBADRO CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000565367610 530198408 /nfs/dbraw/zinc/19/84/08/530198408.db2.gz MXDXMMRDPNFKSS-LLVKDONJSA-N 1 0 391.291 -0.189 20 0 GBADRO CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@@H](C[NH3+])C1 ZINC000565367621 530198705 /nfs/dbraw/zinc/19/87/05/530198705.db2.gz MXDXMMRDPNFKSS-NSHDSACASA-N 1 0 391.291 -0.189 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCn1cncn1 ZINC000565475446 530496790 /nfs/dbraw/zinc/49/67/90/530496790.db2.gz ACSAHRQFYMKWAR-UHFFFAOYSA-N 1 0 387.487 -0.408 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000565491141 530496747 /nfs/dbraw/zinc/49/67/47/530496747.db2.gz MQVHUECZZFJLSR-GXSJLCMTSA-N 1 0 387.487 -0.890 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000565491161 530496956 /nfs/dbraw/zinc/49/69/56/530496956.db2.gz MQVHUECZZFJLSR-KOLCDFICSA-N 1 0 387.487 -0.890 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000565491162 530496905 /nfs/dbraw/zinc/49/69/05/530496905.db2.gz MQVHUECZZFJLSR-MWLCHTKSSA-N 1 0 387.487 -0.890 20 0 GBADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000565491163 530496740 /nfs/dbraw/zinc/49/67/40/530496740.db2.gz MQVHUECZZFJLSR-ONGXEEELSA-N 1 0 387.487 -0.890 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1sccc1Br)N1CC[NH2+]CC1 ZINC000565529917 530497267 /nfs/dbraw/zinc/49/72/67/530497267.db2.gz BANLAWXNTHECFT-UHFFFAOYSA-N 1 0 389.275 -0.325 20 0 GBADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000565607021 530497420 /nfs/dbraw/zinc/49/74/20/530497420.db2.gz FVGGAHXVJPMHDR-CHWSQXEVSA-N 1 0 375.495 -0.704 20 0 GBADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000565607047 530497428 /nfs/dbraw/zinc/49/74/28/530497428.db2.gz FVGGAHXVJPMHDR-OLZOCXBDSA-N 1 0 375.495 -0.704 20 0 GBADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000565607048 530497430 /nfs/dbraw/zinc/49/74/30/530497430.db2.gz FVGGAHXVJPMHDR-QWHCGFSZSA-N 1 0 375.495 -0.704 20 0 GBADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000565607049 530497417 /nfs/dbraw/zinc/49/74/17/530497417.db2.gz FVGGAHXVJPMHDR-STQMWFEESA-N 1 0 375.495 -0.704 20 0 GBADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000565707804 530497291 /nfs/dbraw/zinc/49/72/91/530497291.db2.gz HDCYNONWNKKYFK-GFCCVEGCSA-N 1 0 375.472 -0.606 20 0 GBADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000565707807 530497421 /nfs/dbraw/zinc/49/74/21/530497421.db2.gz HDCYNONWNKKYFK-LBPRGKRZSA-N 1 0 375.472 -0.606 20 0 GBADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000565739455 530497678 /nfs/dbraw/zinc/49/76/78/530497678.db2.gz DEPIUIQBZXANET-CYBMUJFWSA-N 1 0 375.491 -0.198 20 0 GBADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000565739456 530086516 /nfs/dbraw/zinc/08/65/16/530086516.db2.gz DEPIUIQBZXANET-ZDUSSCGKSA-N 1 0 375.491 -0.198 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000565832381 530497751 /nfs/dbraw/zinc/49/77/51/530497751.db2.gz KIRZCFRLMMVIIW-GHMZBOCLSA-N 1 0 388.456 -0.097 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000565832383 530497860 /nfs/dbraw/zinc/49/78/60/530497860.db2.gz KIRZCFRLMMVIIW-MNOVXSKESA-N 1 0 388.456 -0.097 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000565832384 530088389 /nfs/dbraw/zinc/08/83/89/530088389.db2.gz KIRZCFRLMMVIIW-QWRGUYRKSA-N 1 0 388.456 -0.097 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000565832385 530088111 /nfs/dbraw/zinc/08/81/11/530088111.db2.gz KIRZCFRLMMVIIW-WDEREUQCSA-N 1 0 388.456 -0.097 20 0 GBADRO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000565891484 530497822 /nfs/dbraw/zinc/49/78/22/530497822.db2.gz LNXBKKNJTHENGI-LLVKDONJSA-N 1 0 376.429 -0.266 20 0 GBADRO CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000565891485 530497682 /nfs/dbraw/zinc/49/76/82/530497682.db2.gz LNXBKKNJTHENGI-NSHDSACASA-N 1 0 376.429 -0.266 20 0 GBADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565951047 530498101 /nfs/dbraw/zinc/49/81/01/530498101.db2.gz NRQOAHCRQUYZDL-UHFFFAOYSA-N 1 0 375.834 -0.163 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)[C@H](C[NH3+])C1 ZINC000565954418 530498158 /nfs/dbraw/zinc/49/81/58/530498158.db2.gz NUGQPPLBTXZJHI-LLVKDONJSA-N 1 0 380.467 -0.539 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)[C@@H](C[NH3+])C1 ZINC000565954419 530498184 /nfs/dbraw/zinc/49/81/84/530498184.db2.gz NUGQPPLBTXZJHI-NSHDSACASA-N 1 0 380.467 -0.539 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1C ZINC000566012910 530498026 /nfs/dbraw/zinc/49/80/26/530498026.db2.gz YFCUZXMKECRUAN-UHFFFAOYSA-N 1 0 390.531 -0.523 20 0 GBADRO O=C(CSCc1cc(=O)n2ccsc2n1)NCC(=O)N1CC[NH2+]CC1 ZINC000566099335 530498196 /nfs/dbraw/zinc/49/81/96/530498196.db2.gz RBFNAPKMIFWJNM-UHFFFAOYSA-N 1 0 381.483 -0.463 20 0 GBADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)s1 ZINC000566114319 530498280 /nfs/dbraw/zinc/49/82/80/530498280.db2.gz FYMUVAYDUDHREW-LLVKDONJSA-N 1 0 383.923 -0.038 20 0 GBADRO O=S(=O)(NCC[NH2+]C[C@H](O)CN1CCOCC1)c1ccc(Cl)s1 ZINC000566114320 530094199 /nfs/dbraw/zinc/09/41/99/530094199.db2.gz FYMUVAYDUDHREW-NSHDSACASA-N 1 0 383.923 -0.038 20 0 GBADRO CCCCOC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566117921 530498086 /nfs/dbraw/zinc/49/80/86/530498086.db2.gz YQFXDFFYDPBBIE-INIZCTEOSA-N 1 0 379.523 -0.205 20 0 GBADRO CCCCOC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566117922 530498004 /nfs/dbraw/zinc/49/80/04/530498004.db2.gz YQFXDFFYDPBBIE-MRXNPFEDSA-N 1 0 379.523 -0.205 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566179903 530498315 /nfs/dbraw/zinc/49/83/15/530498315.db2.gz WSYSVQCHKKKQFO-AWEZNQCLSA-N 1 0 387.531 -0.084 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566179904 530498306 /nfs/dbraw/zinc/49/83/06/530498306.db2.gz WSYSVQCHKKKQFO-CQSZACIVSA-N 1 0 387.531 -0.084 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000566181942 530498172 /nfs/dbraw/zinc/49/81/72/530498172.db2.gz SCHCOXMZIREMHY-UHFFFAOYSA-N 1 0 377.507 -0.346 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000566212598 530498054 /nfs/dbraw/zinc/49/80/54/530498054.db2.gz VEEAQOWSHDEXRE-GFCCVEGCSA-N 1 0 388.515 -0.140 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000566212599 530498149 /nfs/dbraw/zinc/49/81/49/530498149.db2.gz VEEAQOWSHDEXRE-LBPRGKRZSA-N 1 0 388.515 -0.140 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000566213567 530498046 /nfs/dbraw/zinc/49/80/46/530498046.db2.gz WGSAHOVXNDIAFB-GFCCVEGCSA-N 1 0 387.531 -0.614 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000566213568 530498058 /nfs/dbraw/zinc/49/80/58/530498058.db2.gz WGSAHOVXNDIAFB-LBPRGKRZSA-N 1 0 387.531 -0.614 20 0 GBADRO COCCOc1ccc(F)cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000566215594 530498234 /nfs/dbraw/zinc/49/82/34/530498234.db2.gz FDEXIHDTMITANO-UHFFFAOYSA-N 1 0 375.422 -0.439 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000566215661 530498142 /nfs/dbraw/zinc/49/81/42/530498142.db2.gz SWANWPJMUQBYIJ-JTQLQIEISA-N 1 0 375.476 -0.423 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000566215666 530498207 /nfs/dbraw/zinc/49/82/07/530498207.db2.gz SWANWPJMUQBYIJ-SNVBAGLBSA-N 1 0 375.476 -0.423 20 0 GBADRO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000566216509 530100177 /nfs/dbraw/zinc/10/01/77/530100177.db2.gz HIOGQXWXXWUCOB-UHFFFAOYSA-N 1 0 377.488 -0.148 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000566224234 530498043 /nfs/dbraw/zinc/49/80/43/530498043.db2.gz ISYVZKPCTUWLBC-GFCCVEGCSA-N 1 0 376.504 -0.881 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000566224235 530498069 /nfs/dbraw/zinc/49/80/69/530498069.db2.gz ISYVZKPCTUWLBC-LBPRGKRZSA-N 1 0 376.504 -0.881 20 0 GBADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000566224625 530498125 /nfs/dbraw/zinc/49/81/25/530498125.db2.gz VTIVFFOXRIWGCR-YPMHNXCESA-N 1 0 375.882 -0.001 20 0 GBADRO COC[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566234721 530104506 /nfs/dbraw/zinc/10/45/06/530104506.db2.gz UKLDWGCIIUHRHS-CYBMUJFWSA-N 1 0 394.515 -0.302 20 0 GBADRO COC[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566234722 530104408 /nfs/dbraw/zinc/10/44/08/530104408.db2.gz UKLDWGCIIUHRHS-ZDUSSCGKSA-N 1 0 394.515 -0.302 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000566237760 530498110 /nfs/dbraw/zinc/49/81/10/530498110.db2.gz SWUZRVPNRASALI-CHWSQXEVSA-N 1 0 376.523 -0.205 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000566237761 530498009 /nfs/dbraw/zinc/49/80/09/530498009.db2.gz SWUZRVPNRASALI-OLZOCXBDSA-N 1 0 376.523 -0.205 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000566237762 530498084 /nfs/dbraw/zinc/49/80/84/530498084.db2.gz SWUZRVPNRASALI-QWHCGFSZSA-N 1 0 376.523 -0.205 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000566237763 530498305 /nfs/dbraw/zinc/49/83/05/530498305.db2.gz SWUZRVPNRASALI-STQMWFEESA-N 1 0 376.523 -0.205 20 0 GBADRO CC[NH2+]CCCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000566240418 530104326 /nfs/dbraw/zinc/10/43/26/530104326.db2.gz VAHBGJDVWLKNSR-UHFFFAOYSA-N 1 0 376.504 -0.222 20 0 GBADRO CO[C@H]1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000566244151 530498654 /nfs/dbraw/zinc/49/86/54/530498654.db2.gz GUGBEMRQCXBESX-CABCVRRESA-N 1 0 378.539 -0.399 20 0 GBADRO CO[C@H]1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000566244156 530498667 /nfs/dbraw/zinc/49/86/67/530498667.db2.gz GUGBEMRQCXBESX-GJZGRUSLSA-N 1 0 378.539 -0.399 20 0 GBADRO CO[C@@H]1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000566244158 530498651 /nfs/dbraw/zinc/49/86/51/530498651.db2.gz GUGBEMRQCXBESX-HUUCEWRRSA-N 1 0 378.539 -0.399 20 0 GBADRO CO[C@@H]1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000566244159 530498539 /nfs/dbraw/zinc/49/85/39/530498539.db2.gz GUGBEMRQCXBESX-LSDHHAIUSA-N 1 0 378.539 -0.399 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@H]1C ZINC000566249407 530104923 /nfs/dbraw/zinc/10/49/23/530104923.db2.gz YEVUDPONJQHHOI-CYBMUJFWSA-N 1 0 375.491 -0.751 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@@H]1C ZINC000566249418 530104887 /nfs/dbraw/zinc/10/48/87/530104887.db2.gz YEVUDPONJQHHOI-ZDUSSCGKSA-N 1 0 375.491 -0.751 20 0 GBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566251598 530104646 /nfs/dbraw/zinc/10/46/46/530104646.db2.gz VBPYRTXQPHUUCZ-KBPBESRZSA-N 1 0 378.564 -0.447 20 0 GBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566251607 530104936 /nfs/dbraw/zinc/10/49/36/530104936.db2.gz VBPYRTXQPHUUCZ-KGLIPLIRSA-N 1 0 378.564 -0.447 20 0 GBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000566251613 530104935 /nfs/dbraw/zinc/10/49/35/530104935.db2.gz VBPYRTXQPHUUCZ-UONOGXRCSA-N 1 0 378.564 -0.447 20 0 GBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000566251616 530104949 /nfs/dbraw/zinc/10/49/49/530104949.db2.gz VBPYRTXQPHUUCZ-ZIAGYGMSSA-N 1 0 378.564 -0.447 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566299697 530498536 /nfs/dbraw/zinc/49/85/36/530498536.db2.gz GNAFZZAHHCFLQD-LLVKDONJSA-N 1 0 377.488 -0.638 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566299698 530105988 /nfs/dbraw/zinc/10/59/88/530105988.db2.gz GNAFZZAHHCFLQD-NSHDSACASA-N 1 0 377.488 -0.638 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000566301268 530498526 /nfs/dbraw/zinc/49/85/26/530498526.db2.gz VSVABVXFLYJIIY-UHFFFAOYSA-N 1 0 378.520 -0.238 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(S(N)(=O)=O)CC2)c1 ZINC000566333805 530498557 /nfs/dbraw/zinc/49/85/57/530498557.db2.gz HYOSZZMROBAYEY-UHFFFAOYSA-N 1 0 390.487 -0.714 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000566349587 530498569 /nfs/dbraw/zinc/49/85/69/530498569.db2.gz PWSSKRNUSMWGIW-CHWSQXEVSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000566349589 530498571 /nfs/dbraw/zinc/49/85/71/530498571.db2.gz PWSSKRNUSMWGIW-OLZOCXBDSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000566349590 530498581 /nfs/dbraw/zinc/49/85/81/530498581.db2.gz PWSSKRNUSMWGIW-QWHCGFSZSA-N 1 0 375.495 -0.951 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000566349591 530498562 /nfs/dbraw/zinc/49/85/62/530498562.db2.gz PWSSKRNUSMWGIW-STQMWFEESA-N 1 0 375.495 -0.951 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)S(C)(=O)=O ZINC000566351585 530107185 /nfs/dbraw/zinc/10/71/85/530107185.db2.gz RALGSNHTHLHIMJ-AWEZNQCLSA-N 1 0 376.523 -0.378 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)S(C)(=O)=O ZINC000566351586 530107177 /nfs/dbraw/zinc/10/71/77/530107177.db2.gz RALGSNHTHLHIMJ-CQSZACIVSA-N 1 0 376.523 -0.378 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000566365840 530498671 /nfs/dbraw/zinc/49/86/71/530498671.db2.gz RYWYJTPWAPUSOR-CABCVRRESA-N 1 0 376.523 -0.055 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000566365841 530498456 /nfs/dbraw/zinc/49/84/56/530498456.db2.gz RYWYJTPWAPUSOR-GJZGRUSLSA-N 1 0 376.523 -0.055 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000566365842 530498489 /nfs/dbraw/zinc/49/84/89/530498489.db2.gz RYWYJTPWAPUSOR-HUUCEWRRSA-N 1 0 376.523 -0.055 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000566365843 530498497 /nfs/dbraw/zinc/49/84/97/530498497.db2.gz RYWYJTPWAPUSOR-LSDHHAIUSA-N 1 0 376.523 -0.055 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000566460029 530108919 /nfs/dbraw/zinc/10/89/19/530108919.db2.gz OQVUERBDEHKXPS-AWEZNQCLSA-N 1 0 376.548 -0.188 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000566460033 530108747 /nfs/dbraw/zinc/10/87/47/530108747.db2.gz OQVUERBDEHKXPS-CQSZACIVSA-N 1 0 376.548 -0.188 20 0 GBADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3c[nH]cn3)C[C@@H]21 ZINC000566487099 530498858 /nfs/dbraw/zinc/49/88/58/530498858.db2.gz MSBXYZFFKUZJGT-OLZOCXBDSA-N 1 0 391.519 -0.103 20 0 GBADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH]cn3)C[C@@H]2C1 ZINC000566487913 530499033 /nfs/dbraw/zinc/49/90/33/530499033.db2.gz BXRSCARETMHEDI-TXEJJXNPSA-N 1 0 377.492 -0.635 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)c(C)c[nH+]1 ZINC000566487988 530109441 /nfs/dbraw/zinc/10/94/41/530109441.db2.gz UZFXUAVYDBCWCJ-CYBMUJFWSA-N 1 0 379.504 -0.105 20 0 GBADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH]cn3)C[C@@H]21 ZINC000566488512 530498821 /nfs/dbraw/zinc/49/88/21/530498821.db2.gz GCAYKFPHARVQJE-NEPJUHHUSA-N 1 0 377.492 -0.493 20 0 GBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496812 530499468 /nfs/dbraw/zinc/49/94/68/530499468.db2.gz UOUALLMBWRCBGK-NXEZZACHSA-N 1 0 399.245 -0.116 20 0 GBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496816 530499451 /nfs/dbraw/zinc/49/94/51/530499451.db2.gz UOUALLMBWRCBGK-UWVGGRQHSA-N 1 0 399.245 -0.116 20 0 GBADRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496817 530499442 /nfs/dbraw/zinc/49/94/42/530499442.db2.gz UOUALLMBWRCBGK-VHSXEESVSA-N 1 0 399.245 -0.116 20 0 GBADRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000566496818 530499484 /nfs/dbraw/zinc/49/94/84/530499484.db2.gz UOUALLMBWRCBGK-ZJUUUORDSA-N 1 0 399.245 -0.116 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497012 530499504 /nfs/dbraw/zinc/49/95/04/530499504.db2.gz WKHOQAZWPSNRRG-BDAKNGLRSA-N 1 0 375.353 -0.059 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497014 530499524 /nfs/dbraw/zinc/49/95/24/530499524.db2.gz WKHOQAZWPSNRRG-DTWKUNHWSA-N 1 0 375.353 -0.059 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497016 530499444 /nfs/dbraw/zinc/49/94/44/530499444.db2.gz WKHOQAZWPSNRRG-IUCAKERBSA-N 1 0 375.353 -0.059 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000566497017 530499509 /nfs/dbraw/zinc/49/95/09/530499509.db2.gz WKHOQAZWPSNRRG-RKDXNWHRSA-N 1 0 375.353 -0.059 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCC[NH3+])c(C)s1 ZINC000566510824 530499403 /nfs/dbraw/zinc/49/94/03/530499403.db2.gz CCTDJRIKJPBLNA-UHFFFAOYSA-N 1 0 376.504 -0.433 20 0 GBADRO CN(c1nncs1)S(=O)(=O)CCCCS(=O)(=O)NCC[NH+](C)C ZINC000566520776 530499458 /nfs/dbraw/zinc/49/94/58/530499458.db2.gz VQQZEVXJHWWHPZ-UHFFFAOYSA-N 1 0 385.537 -0.435 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+](C)C1CC1 ZINC000566552675 530499460 /nfs/dbraw/zinc/49/94/60/530499460.db2.gz AQIUKUPAJBXUOS-GFCCVEGCSA-N 1 0 392.547 -0.920 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[N@H+](C)C1CC1 ZINC000566552677 530499269 /nfs/dbraw/zinc/49/92/69/530499269.db2.gz AQIUKUPAJBXUOS-LBPRGKRZSA-N 1 0 392.547 -0.920 20 0 GBADRO COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000566571724 530499351 /nfs/dbraw/zinc/49/93/51/530499351.db2.gz BSISBJBYCKVYFQ-UHFFFAOYSA-N 1 0 377.488 -0.087 20 0 GBADRO CO[C@H]1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)N(S(C)(=O)=O)C1 ZINC000566601107 530499436 /nfs/dbraw/zinc/49/94/36/530499436.db2.gz YTHJWRIRNFBUKT-QLFBSQMISA-N 1 0 377.507 -0.756 20 0 GBADRO CO[C@H]1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)N(S(C)(=O)=O)C1 ZINC000566601108 530499301 /nfs/dbraw/zinc/49/93/01/530499301.db2.gz YTHJWRIRNFBUKT-SOUVJXGZSA-N 1 0 377.507 -0.756 20 0 GBADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc1 ZINC000566623104 530499541 /nfs/dbraw/zinc/49/95/41/530499541.db2.gz YFBCWFZPLLQFDK-LLVKDONJSA-N 1 0 381.380 -0.705 20 0 GBADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc1 ZINC000566623105 530499556 /nfs/dbraw/zinc/49/95/56/530499556.db2.gz YFBCWFZPLLQFDK-NSHDSACASA-N 1 0 381.380 -0.705 20 0 GBADRO CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CC[NH+](CC)CC ZINC000566648336 530499286 /nfs/dbraw/zinc/49/92/86/530499286.db2.gz PVTPSJSJBCEOSD-CYBMUJFWSA-N 1 0 379.479 -0.962 20 0 GBADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)CC[NH+](CC)CC ZINC000566648337 530499428 /nfs/dbraw/zinc/49/94/28/530499428.db2.gz PVTPSJSJBCEOSD-ZDUSSCGKSA-N 1 0 379.479 -0.962 20 0 GBADRO O=C(NCCn1cc(Br)ccc1=O)NCC(=O)N1CC[NH2+]CC1 ZINC000566668566 530499551 /nfs/dbraw/zinc/49/95/51/530499551.db2.gz MBXGWYASRXMCNS-UHFFFAOYSA-N 1 0 386.250 -0.658 20 0 GBADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CN2CCOCC2)c(C)s1 ZINC000566673406 530499391 /nfs/dbraw/zinc/49/93/91/530499391.db2.gz LOWVNRAYBOVLBT-AWEZNQCLSA-N 1 0 377.532 -0.074 20 0 GBADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CN2CCOCC2)c(C)s1 ZINC000566673407 530499530 /nfs/dbraw/zinc/49/95/30/530499530.db2.gz LOWVNRAYBOVLBT-CQSZACIVSA-N 1 0 377.532 -0.074 20 0 GBADRO NS(=O)(=O)CCCN1CCCC2(CCC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000566943199 530499877 /nfs/dbraw/zinc/49/98/77/530499877.db2.gz FZSROHSVDNOAMT-UHFFFAOYSA-N 1 0 396.579 -0.478 20 0 GBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000566943884 530499893 /nfs/dbraw/zinc/49/98/93/530499893.db2.gz MLTSFVGHXCACLB-UHFFFAOYSA-N 1 0 376.523 -0.866 20 0 GBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000566973300 530499899 /nfs/dbraw/zinc/49/98/99/530499899.db2.gz DZAYGMQYISRTOJ-CYBMUJFWSA-N 1 0 375.516 -0.111 20 0 GBADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000566973305 530499729 /nfs/dbraw/zinc/49/97/29/530499729.db2.gz DZAYGMQYISRTOJ-ZDUSSCGKSA-N 1 0 375.516 -0.111 20 0 GBADRO C[C@@H]1CN(C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043681 530500214 /nfs/dbraw/zinc/50/02/14/530500214.db2.gz RZBSADBYABRYOJ-FPCVCCKLSA-N 1 0 378.539 -0.683 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)O1 ZINC000567043682 530500343 /nfs/dbraw/zinc/50/03/43/530500343.db2.gz RZBSADBYABRYOJ-KLHDSHLOSA-N 1 0 378.539 -0.683 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043683 530500175 /nfs/dbraw/zinc/50/01/75/530500175.db2.gz RZBSADBYABRYOJ-QKPAOTATSA-N 1 0 378.539 -0.683 20 0 GBADRO C[C@@H]1CN(C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000567043684 530500256 /nfs/dbraw/zinc/50/02/56/530500256.db2.gz RZBSADBYABRYOJ-QXSJWSMHSA-N 1 0 378.539 -0.683 20 0 GBADRO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000567048998 530113205 /nfs/dbraw/zinc/11/32/05/530113205.db2.gz YREYZZJSYCFGQJ-CYZMBNFOSA-N 1 0 380.260 -0.064 20 0 GBADRO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000567048999 530113072 /nfs/dbraw/zinc/11/30/72/530113072.db2.gz YREYZZJSYCFGQJ-RAIGVLPGSA-N 1 0 380.260 -0.064 20 0 GBADRO Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cnc2c1Cl ZINC000567062631 530500228 /nfs/dbraw/zinc/50/02/28/530500228.db2.gz CTUPYBVPNZETGU-GXSJLCMTSA-N 1 0 384.849 -0.376 20 0 GBADRO Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cnc2c1Cl ZINC000567062632 530500221 /nfs/dbraw/zinc/50/02/21/530500221.db2.gz CTUPYBVPNZETGU-KOLCDFICSA-N 1 0 384.849 -0.376 20 0 GBADRO Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cnc2c1Cl ZINC000567062633 530500212 /nfs/dbraw/zinc/50/02/12/530500212.db2.gz CTUPYBVPNZETGU-MWLCHTKSSA-N 1 0 384.849 -0.376 20 0 GBADRO Cc1nn2cc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cnc2c1Cl ZINC000567062634 530500206 /nfs/dbraw/zinc/50/02/06/530500206.db2.gz CTUPYBVPNZETGU-ONGXEEELSA-N 1 0 384.849 -0.376 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567111222 530500406 /nfs/dbraw/zinc/50/04/06/530500406.db2.gz OPOPWWKEKUXTBO-GHMZBOCLSA-N 1 0 390.893 -0.024 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567111223 530500357 /nfs/dbraw/zinc/50/03/57/530500357.db2.gz OPOPWWKEKUXTBO-MNOVXSKESA-N 1 0 390.893 -0.024 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567111224 530500358 /nfs/dbraw/zinc/50/03/58/530500358.db2.gz OPOPWWKEKUXTBO-QWRGUYRKSA-N 1 0 390.893 -0.024 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567111225 530500252 /nfs/dbraw/zinc/50/02/52/530500252.db2.gz OPOPWWKEKUXTBO-WDEREUQCSA-N 1 0 390.893 -0.024 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCS(=O)(=O)N(C)C)C2)CC1 ZINC000567207453 530500199 /nfs/dbraw/zinc/50/01/99/530500199.db2.gz UHCQJMZNPQZEHI-HNNXBMFYSA-N 1 0 375.539 -0.312 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCS(=O)(=O)N(C)C)C2)CC1 ZINC000567207454 530500244 /nfs/dbraw/zinc/50/02/44/530500244.db2.gz UHCQJMZNPQZEHI-OAHLLOKOSA-N 1 0 375.539 -0.312 20 0 GBADRO [NH3+]C1CCC(OCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000567265471 530500255 /nfs/dbraw/zinc/50/02/55/530500255.db2.gz UIZACZHTAFZMSK-NRXISQOPSA-N 1 0 377.507 -0.122 20 0 GBADRO [NH3+]C1CCC(OCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000567265472 530500364 /nfs/dbraw/zinc/50/03/64/530500364.db2.gz UIZACZHTAFZMSK-YMAMQOFZSA-N 1 0 377.507 -0.122 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000567271701 530500413 /nfs/dbraw/zinc/50/04/13/530500413.db2.gz MMMKCKOCMMDFPJ-LLVKDONJSA-N 1 0 392.275 -0.168 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000567271702 530500432 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COCC[NH2+]C1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000567479591 530500568 /nfs/dbraw/zinc/50/05/68/530500568.db2.gz CECIYTXQWWDIFZ-UHFFFAOYSA-N 1 0 375.491 -0.751 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000567480228 530500686 /nfs/dbraw/zinc/50/06/86/530500686.db2.gz VSPRVIGSPMUXNV-UHFFFAOYSA-N 1 0 383.246 -0.387 20 0 GBADRO [NH3+]CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000567600366 530501296 /nfs/dbraw/zinc/50/12/96/530501296.db2.gz SBGISCINPPANMJ-UHFFFAOYSA-N 1 0 388.833 -0.538 20 0 GBADRO O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000567674003 530501081 /nfs/dbraw/zinc/50/10/81/530501081.db2.gz YDSVMJDDTTZOJC-QWHCGFSZSA-N 1 0 387.483 -0.418 20 0 GBADRO C[C@@](O)(C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C(F)(F)F ZINC000567689603 530500957 /nfs/dbraw/zinc/50/09/57/530500957.db2.gz NBBCFNFTWDVCPC-GFCCVEGCSA-N 1 0 375.413 -0.069 20 0 GBADRO C[C@](O)(C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C(F)(F)F ZINC000567689604 530501069 /nfs/dbraw/zinc/50/10/69/530501069.db2.gz NBBCFNFTWDVCPC-LBPRGKRZSA-N 1 0 375.413 -0.069 20 0 GBADRO CNC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000567696985 530501222 /nfs/dbraw/zinc/50/12/22/530501222.db2.gz MECVDVCYZKYKNT-GFCCVEGCSA-N 1 0 391.515 -0.175 20 0 GBADRO CNC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000567696986 530501313 /nfs/dbraw/zinc/50/13/13/530501313.db2.gz MECVDVCYZKYKNT-LBPRGKRZSA-N 1 0 391.515 -0.175 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754405 530501404 /nfs/dbraw/zinc/50/14/04/530501404.db2.gz XGXVRCOIAZQNOR-GHMZBOCLSA-N 1 0 382.218 -0.447 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754406 530501716 /nfs/dbraw/zinc/50/17/16/530501716.db2.gz XGXVRCOIAZQNOR-MNOVXSKESA-N 1 0 382.218 -0.447 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754407 530501577 /nfs/dbraw/zinc/50/15/77/530501577.db2.gz XGXVRCOIAZQNOR-QWRGUYRKSA-N 1 0 382.218 -0.447 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CCN2C1=O ZINC000567754408 530501500 /nfs/dbraw/zinc/50/15/00/530501500.db2.gz XGXVRCOIAZQNOR-WDEREUQCSA-N 1 0 382.218 -0.447 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567776136 530501379 /nfs/dbraw/zinc/50/13/79/530501379.db2.gz ASKDDTKSVFXPDU-CYBMUJFWSA-N 1 0 388.877 -0.397 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000567776137 530501614 /nfs/dbraw/zinc/50/16/14/530501614.db2.gz ASKDDTKSVFXPDU-ZDUSSCGKSA-N 1 0 388.877 -0.397 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000567807587 530501709 /nfs/dbraw/zinc/50/17/09/530501709.db2.gz OZFGGZRLENPKGS-CYBMUJFWSA-N 1 0 379.479 -0.834 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000567807588 530501385 /nfs/dbraw/zinc/50/13/85/530501385.db2.gz OZFGGZRLENPKGS-ZDUSSCGKSA-N 1 0 379.479 -0.834 20 0 GBADRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000567818187 530501524 /nfs/dbraw/zinc/50/15/24/530501524.db2.gz HNDYQRZWFLWAPZ-CYBMUJFWSA-N 1 0 375.516 -0.004 20 0 GBADRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000567818188 530501697 /nfs/dbraw/zinc/50/16/97/530501697.db2.gz HNDYQRZWFLWAPZ-ZDUSSCGKSA-N 1 0 375.516 -0.004 20 0 GBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567837324 530501594 /nfs/dbraw/zinc/50/15/94/530501594.db2.gz XECIOXASLABZPF-LLVKDONJSA-N 1 0 383.396 -0.762 20 0 GBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567837325 530501722 /nfs/dbraw/zinc/50/17/22/530501722.db2.gz XECIOXASLABZPF-NSHDSACASA-N 1 0 383.396 -0.762 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567846085 530501629 /nfs/dbraw/zinc/50/16/29/530501629.db2.gz VBQGYIAMKCBMEP-GXSJLCMTSA-N 1 0 379.433 -0.183 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567846086 530501365 /nfs/dbraw/zinc/50/13/65/530501365.db2.gz VBQGYIAMKCBMEP-KOLCDFICSA-N 1 0 379.433 -0.183 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567846087 530501624 /nfs/dbraw/zinc/50/16/24/530501624.db2.gz VBQGYIAMKCBMEP-MWLCHTKSSA-N 1 0 379.433 -0.183 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567846088 530501725 /nfs/dbraw/zinc/50/17/25/530501725.db2.gz VBQGYIAMKCBMEP-ONGXEEELSA-N 1 0 379.433 -0.183 20 0 GBADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000567861549 530501541 /nfs/dbraw/zinc/50/15/41/530501541.db2.gz CEWVQFZUYVBGTC-GFCCVEGCSA-N 1 0 377.488 -0.277 20 0 GBADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000567861550 530501707 /nfs/dbraw/zinc/50/17/07/530501707.db2.gz CEWVQFZUYVBGTC-LBPRGKRZSA-N 1 0 377.488 -0.277 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000567861638 530501348 /nfs/dbraw/zinc/50/13/48/530501348.db2.gz KDCDPARKMAOVSJ-LLVKDONJSA-N 1 0 380.467 -0.621 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000567861639 530501686 /nfs/dbraw/zinc/50/16/86/530501686.db2.gz KDCDPARKMAOVSJ-NSHDSACASA-N 1 0 380.467 -0.621 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000567862406 530501457 /nfs/dbraw/zinc/50/14/57/530501457.db2.gz AAOVZUGFUFHTTH-CABCVRRESA-N 1 0 389.499 -0.149 20 0 GBADRO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567874179 530501862 /nfs/dbraw/zinc/50/18/62/530501862.db2.gz IGTZAOXTPZXPHO-CYZMBNFOSA-N 1 0 380.260 -0.064 20 0 GBADRO O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567874180 530501881 /nfs/dbraw/zinc/50/18/81/530501881.db2.gz IGTZAOXTPZXPHO-RAIGVLPGSA-N 1 0 380.260 -0.064 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000567882265 530501941 /nfs/dbraw/zinc/50/19/41/530501941.db2.gz OKMFFZRDIQVGGU-GFCCVEGCSA-N 1 0 388.515 -0.270 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000567882266 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376.523 -0.391 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000568023210 530502085 /nfs/dbraw/zinc/50/20/85/530502085.db2.gz WFXGKMOWPJKASE-HUUCEWRRSA-N 1 0 376.523 -0.391 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000568023211 530501846 /nfs/dbraw/zinc/50/18/46/530501846.db2.gz WFXGKMOWPJKASE-LSDHHAIUSA-N 1 0 376.523 -0.391 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)S(C)(=O)=O ZINC000568031559 530502481 /nfs/dbraw/zinc/50/24/81/530502481.db2.gz DDZWDPZSQNDRMS-AWEZNQCLSA-N 1 0 376.523 -0.426 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)S(C)(=O)=O ZINC000568031560 530502308 /nfs/dbraw/zinc/50/23/08/530502308.db2.gz DDZWDPZSQNDRMS-CQSZACIVSA-N 1 0 376.523 -0.426 20 0 GBADRO O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000568126098 530502207 /nfs/dbraw/zinc/50/22/07/530502207.db2.gz DPTCMUWIKVABMK-GJZGRUSLSA-N 1 0 375.491 -0.446 20 0 GBADRO 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ZINC000571332624 1073909485 /nfs/dbraw/zinc/90/94/85/1073909485.db2.gz VXIRGHDUOOXRFT-AWEZNQCLSA-N 1 0 385.490 -0.145 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000571411958 1073929607 /nfs/dbraw/zinc/92/96/07/1073929607.db2.gz SSUNYRWQEVQEPM-UHFFFAOYSA-N 1 0 379.505 -0.660 20 0 GBADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000571423055 1073929671 /nfs/dbraw/zinc/92/96/71/1073929671.db2.gz KWZXYGXDIKXAMS-GFCCVEGCSA-N 1 0 380.470 -0.166 20 0 GBADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000571423056 1073929569 /nfs/dbraw/zinc/92/95/69/1073929569.db2.gz KWZXYGXDIKXAMS-LBPRGKRZSA-N 1 0 380.470 -0.166 20 0 GBADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571431464 1073929397 /nfs/dbraw/zinc/92/93/97/1073929397.db2.gz HZZDPEIGZZTHDL-INIZCTEOSA-N 1 0 388.468 -0.078 20 0 GBADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571431465 1073929679 /nfs/dbraw/zinc/92/96/79/1073929679.db2.gz HZZDPEIGZZTHDL-MRXNPFEDSA-N 1 0 388.468 -0.078 20 0 GBADRO C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H](C)N1CCOCC1 ZINC000571439271 1073930739 /nfs/dbraw/zinc/93/07/39/1073930739.db2.gz IIQZMLVTSICNOV-CWLKWCNXSA-N 1 0 396.532 -0.294 20 0 GBADRO C[C@H]([C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOCC1 ZINC000571439272 1073930579 /nfs/dbraw/zinc/93/05/79/1073930579.db2.gz IIQZMLVTSICNOV-IDCNUPLLSA-N 1 0 396.532 -0.294 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000571538039 530211252 /nfs/dbraw/zinc/21/12/52/530211252.db2.gz MXXKWSTXNAUHLI-AWEZNQCLSA-N 1 0 380.536 -0.870 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000571538040 530211401 /nfs/dbraw/zinc/21/14/01/530211401.db2.gz MXXKWSTXNAUHLI-CQSZACIVSA-N 1 0 380.536 -0.870 20 0 GBADRO COC(=O)C(C)(C)CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000571559144 530211364 /nfs/dbraw/zinc/21/13/64/530211364.db2.gz WMPOKHVOTSKONB-UHFFFAOYSA-N 1 0 375.491 -0.245 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000571601386 530211351 /nfs/dbraw/zinc/21/13/51/530211351.db2.gz XBVCCOPADLTEIX-CQSZACIVSA-N 1 0 376.523 -0.283 20 0 GBADRO O=C(CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)N1CC[NH2+]CC1 ZINC000571639837 637479331 /nfs/dbraw/zinc/47/93/31/637479331.db2.gz JPVOHCVGIPURDQ-UHFFFAOYSA-N 1 0 397.229 -0.058 20 0 GBADRO NS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000571643105 530219960 /nfs/dbraw/zinc/21/99/60/530219960.db2.gz RIBWIBYRZVOWET-LLVKDONJSA-N 1 0 388.515 -0.216 20 0 GBADRO NS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000571643107 530219780 /nfs/dbraw/zinc/21/97/80/530219780.db2.gz RIBWIBYRZVOWET-NSHDSACASA-N 1 0 388.515 -0.216 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000571648690 530228778 /nfs/dbraw/zinc/22/87/78/530228778.db2.gz BQNZCXCLCYDEFG-LLVKDONJSA-N 1 0 389.503 -0.033 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000571648691 530228729 /nfs/dbraw/zinc/22/87/29/530228729.db2.gz BQNZCXCLCYDEFG-NSHDSACASA-N 1 0 389.503 -0.033 20 0 GBADRO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571658671 1073034992 /nfs/dbraw/zinc/03/49/92/1073034992.db2.gz PPOJAWCGWODZEE-XNGSYYAWSA-N 1 0 386.452 -0.388 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000571676042 1073515656 /nfs/dbraw/zinc/51/56/56/1073515656.db2.gz OUNDVRLGJFMIEZ-WIYYLYMNSA-N 1 0 386.496 -0.033 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000571680948 530301414 /nfs/dbraw/zinc/30/14/14/530301414.db2.gz GMGSDKUNMAPXBU-BARDWOONSA-N 1 0 392.543 -0.058 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000571680950 530301206 /nfs/dbraw/zinc/30/12/06/530301206.db2.gz GMGSDKUNMAPXBU-KBUPBQIOSA-N 1 0 392.543 -0.058 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000571680955 530301505 /nfs/dbraw/zinc/30/15/05/530301505.db2.gz GMGSDKUNMAPXBU-LXTVHRRPSA-N 1 0 392.543 -0.058 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000571680956 530301328 /nfs/dbraw/zinc/30/13/28/530301328.db2.gz GMGSDKUNMAPXBU-TUVASFSCSA-N 1 0 392.543 -0.058 20 0 GBADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000571682317 530301554 /nfs/dbraw/zinc/30/15/54/530301554.db2.gz RSFJIPRNGOXURU-AWEZNQCLSA-N 1 0 376.523 -0.268 20 0 GBADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000571682318 530301569 /nfs/dbraw/zinc/30/15/69/530301569.db2.gz RSFJIPRNGOXURU-CQSZACIVSA-N 1 0 376.523 -0.268 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000571696761 530351392 /nfs/dbraw/zinc/35/13/92/530351392.db2.gz HVOZNLSILXAYLN-CABCVRRESA-N 1 0 376.523 -0.268 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000571696762 530351345 /nfs/dbraw/zinc/35/13/45/530351345.db2.gz HVOZNLSILXAYLN-GJZGRUSLSA-N 1 0 376.523 -0.268 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000571696763 530351338 /nfs/dbraw/zinc/35/13/38/530351338.db2.gz HVOZNLSILXAYLN-HUUCEWRRSA-N 1 0 376.523 -0.268 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000571696764 530351386 /nfs/dbraw/zinc/35/13/86/530351386.db2.gz HVOZNLSILXAYLN-LSDHHAIUSA-N 1 0 376.523 -0.268 20 0 GBADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000571755996 530351408 /nfs/dbraw/zinc/35/14/08/530351408.db2.gz RTMZVUUNGGEUNE-CYBMUJFWSA-N 1 0 379.429 -0.474 20 0 GBADRO O=S(=O)(NCC[NH2+]C[C@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000571755997 530351132 /nfs/dbraw/zinc/35/11/32/530351132.db2.gz RTMZVUUNGGEUNE-ZDUSSCGKSA-N 1 0 379.429 -0.474 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000571764920 530351396 /nfs/dbraw/zinc/35/13/96/530351396.db2.gz NRXVCOUGZRRCDH-NXEZZACHSA-N 1 0 376.504 -0.096 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000571764921 530351269 /nfs/dbraw/zinc/35/12/69/530351269.db2.gz NRXVCOUGZRRCDH-UWVGGRQHSA-N 1 0 376.504 -0.096 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH3+])s1 ZINC000571764922 530351289 /nfs/dbraw/zinc/35/12/89/530351289.db2.gz NRXVCOUGZRRCDH-VHSXEESVSA-N 1 0 376.504 -0.096 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000571764923 530351733 /nfs/dbraw/zinc/35/17/33/530351733.db2.gz NRXVCOUGZRRCDH-ZJUUUORDSA-N 1 0 376.504 -0.096 20 0 GBADRO COC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000571799853 530351740 /nfs/dbraw/zinc/35/17/40/530351740.db2.gz VDXGGLRCMRLYFT-UHFFFAOYSA-N 1 0 375.834 -0.163 20 0 GBADRO Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000571821115 530351764 /nfs/dbraw/zinc/35/17/64/530351764.db2.gz JXODMAMCRHFBAU-GXSJLCMTSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000571821116 530351449 /nfs/dbraw/zinc/35/14/49/530351449.db2.gz JXODMAMCRHFBAU-KOLCDFICSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000571821117 530351729 /nfs/dbraw/zinc/35/17/29/530351729.db2.gz JXODMAMCRHFBAU-MWLCHTKSSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1nc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000571821118 530351656 /nfs/dbraw/zinc/35/16/56/530351656.db2.gz JXODMAMCRHFBAU-ONGXEEELSA-N 1 0 396.245 -0.139 20 0 GBADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571866744 530351706 /nfs/dbraw/zinc/35/17/06/530351706.db2.gz OBIZQVCJOHGFHT-UHFFFAOYSA-N 1 0 397.273 -0.045 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000571882532 530351539 /nfs/dbraw/zinc/35/15/39/530351539.db2.gz ZVRFVBZALNFAFP-AWEZNQCLSA-N 1 0 376.523 -0.427 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000571882533 530351825 /nfs/dbraw/zinc/35/18/25/530351825.db2.gz ZVRFVBZALNFAFP-CQSZACIVSA-N 1 0 376.523 -0.427 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000571976021 530352130 /nfs/dbraw/zinc/35/21/30/530352130.db2.gz FZQKDCSUPFGCRD-UHFFFAOYSA-N 1 0 378.543 -0.854 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)N1CC[NH2+]CC1 ZINC000572000985 530352197 /nfs/dbraw/zinc/35/21/97/530352197.db2.gz ZERRMFZNWVORNM-UHFFFAOYSA-N 1 0 382.364 -0.267 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000572085566 530352152 /nfs/dbraw/zinc/35/21/52/530352152.db2.gz RYSFBTUDVARZGB-NEPJUHHUSA-N 1 0 379.508 -0.655 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000572085567 530352026 /nfs/dbraw/zinc/35/20/26/530352026.db2.gz RYSFBTUDVARZGB-NWDGAFQWSA-N 1 0 379.508 -0.655 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000572085568 530352002 /nfs/dbraw/zinc/35/20/02/530352002.db2.gz RYSFBTUDVARZGB-RYUDHWBXSA-N 1 0 379.508 -0.655 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000572085569 530351950 /nfs/dbraw/zinc/35/19/50/530351950.db2.gz RYSFBTUDVARZGB-VXGBXAGGSA-N 1 0 379.508 -0.655 20 0 GBADRO O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000572156188 530352489 /nfs/dbraw/zinc/35/24/89/530352489.db2.gz ANRDZQVOQDDHEV-UHFFFAOYSA-N 1 0 383.246 -0.273 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C)C2)c(C)c[nH+]1 ZINC000572179158 530352304 /nfs/dbraw/zinc/35/23/04/530352304.db2.gz KFBGJAQYAHAQKG-UHFFFAOYSA-N 1 0 390.487 -0.687 20 0 GBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000572207838 530352335 /nfs/dbraw/zinc/35/23/35/530352335.db2.gz OTWXTBPAQDEIGF-UHFFFAOYSA-N 1 0 394.519 -0.206 20 0 GBADRO Cc1nc(NCCCC[NH+]2CCN(CCO)CC2)sc1S(N)(=O)=O ZINC000572305291 530177132 /nfs/dbraw/zinc/17/71/32/530177132.db2.gz ADHFRHZLXQXPDL-UHFFFAOYSA-N 1 0 377.536 -0.099 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000572348141 530352677 /nfs/dbraw/zinc/35/26/77/530352677.db2.gz FCFVOFPJUFGESW-AWEZNQCLSA-N 1 0 376.523 -0.189 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000572348142 530352693 /nfs/dbraw/zinc/35/26/93/530352693.db2.gz FCFVOFPJUFGESW-CQSZACIVSA-N 1 0 376.523 -0.189 20 0 GBADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572383475 530354064 /nfs/dbraw/zinc/35/40/64/530354064.db2.gz VIVLVILQFIILNK-UHFFFAOYSA-N 1 0 397.273 -0.045 20 0 GBADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](C[NH3+])OC)CC2)c1 ZINC000572393011 530354444 /nfs/dbraw/zinc/35/44/44/530354444.db2.gz RCTUXCXVMOKYFT-LLVKDONJSA-N 1 0 391.471 -0.659 20 0 GBADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C[NH3+])OC)CC2)c1 ZINC000572393012 530354344 /nfs/dbraw/zinc/35/43/44/530354344.db2.gz RCTUXCXVMOKYFT-NSHDSACASA-N 1 0 391.471 -0.659 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[NH2+]CCC3(F)F)cnc21 ZINC000572403681 530355038 /nfs/dbraw/zinc/35/50/38/530355038.db2.gz YKXVUTKPDQGSNE-SECBINFHSA-N 1 0 375.357 -0.690 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3C[NH2+]CCC3(F)F)cnc21 ZINC000572403682 530354925 /nfs/dbraw/zinc/35/49/25/530354925.db2.gz YKXVUTKPDQGSNE-VIFPVBQESA-N 1 0 375.357 -0.690 20 0 GBADRO COC[C@@]1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCC[NH2+]1 ZINC000572466960 530354702 /nfs/dbraw/zinc/35/47/02/530354702.db2.gz ZFGOADIPOGLPPU-HIFRSBDPSA-N 1 0 377.511 -0.675 20 0 GBADRO COC[C@]1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCC[NH2+]1 ZINC000572466961 530354739 /nfs/dbraw/zinc/35/47/39/530354739.db2.gz ZFGOADIPOGLPPU-UKRRQHHQSA-N 1 0 377.511 -0.675 20 0 GBADRO CCN(CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000572468915 530354769 /nfs/dbraw/zinc/35/47/69/530354769.db2.gz UICSFKIETYMWIF-AWEZNQCLSA-N 1 0 376.523 -0.426 20 0 GBADRO CCN(CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)S(C)(=O)=O ZINC000572468916 530354993 /nfs/dbraw/zinc/35/49/93/530354993.db2.gz UICSFKIETYMWIF-CQSZACIVSA-N 1 0 376.523 -0.426 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1F ZINC000572487058 530386774 /nfs/dbraw/zinc/38/67/74/530386774.db2.gz UUXOAAQAAMYZJW-LLVKDONJSA-N 1 0 394.494 -0.149 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1F ZINC000572487059 530386864 /nfs/dbraw/zinc/38/68/64/530386864.db2.gz UUXOAAQAAMYZJW-NSHDSACASA-N 1 0 394.494 -0.149 20 0 GBADRO [NH3+]CCCCn1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)nn1 ZINC000572599228 530099256 /nfs/dbraw/zinc/09/92/56/530099256.db2.gz UHORNUIFBIGPIL-UHFFFAOYSA-N 1 0 376.508 -0.875 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000572611684 530505169 /nfs/dbraw/zinc/50/51/69/530505169.db2.gz PHIMCHACRBEPEB-HNNXBMFYSA-N 1 0 376.523 -0.176 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000572611685 530505139 /nfs/dbraw/zinc/50/51/39/530505139.db2.gz PHIMCHACRBEPEB-OAHLLOKOSA-N 1 0 376.523 -0.176 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000572620226 1072511396 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0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572725902 530117289 /nfs/dbraw/zinc/11/72/89/530117289.db2.gz ACRFHXOSXOOEGQ-LBPRGKRZSA-N 1 0 376.504 -0.800 20 0 GBADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000572781253 530505092 /nfs/dbraw/zinc/50/50/92/530505092.db2.gz HWYOVCZYFJCPFC-GFCCVEGCSA-N 1 0 379.508 -0.245 20 0 GBADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000572781254 530505211 /nfs/dbraw/zinc/50/52/11/530505211.db2.gz HWYOVCZYFJCPFC-LBPRGKRZSA-N 1 0 379.508 -0.245 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782049 530123915 /nfs/dbraw/zinc/12/39/15/530123915.db2.gz HZXNMTMHHJCMNW-BQBZGAKWSA-N 1 0 377.348 -0.129 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782050 530123703 /nfs/dbraw/zinc/12/37/03/530123703.db2.gz HZXNMTMHHJCMNW-NKWVEPMBSA-N 1 0 377.348 -0.129 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782051 530123517 /nfs/dbraw/zinc/12/35/17/530123517.db2.gz HZXNMTMHHJCMNW-RNFRBKRXSA-N 1 0 377.348 -0.129 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)CCN2C1=O ZINC000572782052 530123454 /nfs/dbraw/zinc/12/34/54/530123454.db2.gz HZXNMTMHHJCMNW-RQJHMYQMSA-N 1 0 377.348 -0.129 20 0 GBADRO O=C(NCCCNC(=O)c1cccc(Br)c1)C(=O)NC1C[NH2+]C1 ZINC000572826544 530505245 /nfs/dbraw/zinc/50/52/45/530505245.db2.gz JUPVKUKPCRBOSR-UHFFFAOYSA-N 1 0 383.246 -0.227 20 0 GBADRO C[C@@H](C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O ZINC000572834489 530505232 /nfs/dbraw/zinc/50/52/32/530505232.db2.gz NFZNVPAUTOIUMR-AWEZNQCLSA-N 1 0 390.531 -0.444 20 0 GBADRO C[C@H](C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O ZINC000572834490 530505049 /nfs/dbraw/zinc/50/50/49/530505049.db2.gz NFZNVPAUTOIUMR-CQSZACIVSA-N 1 0 390.531 -0.444 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000572997742 530505653 /nfs/dbraw/zinc/50/56/53/530505653.db2.gz LYGHQTSZFVPIGU-GFCCVEGCSA-N 1 0 388.519 -0.862 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000572997743 530505461 /nfs/dbraw/zinc/50/54/61/530505461.db2.gz LYGHQTSZFVPIGU-LBPRGKRZSA-N 1 0 388.519 -0.862 20 0 GBADRO CSC1(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)CC[NH+](C)CC1 ZINC000573031328 530505775 /nfs/dbraw/zinc/50/57/75/530505775.db2.gz MJOYBDBBWYBZSO-UHFFFAOYSA-N 1 0 375.520 -0.358 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC2CC[NH2+]CC2)s1 ZINC000573090969 530505625 /nfs/dbraw/zinc/50/56/25/530505625.db2.gz RMWZOJWPPMXUTR-UHFFFAOYSA-N 1 0 388.515 -0.222 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)F)s1 ZINC000573092920 530505456 /nfs/dbraw/zinc/50/54/56/530505456.db2.gz HKFQTFDKWKEWFX-JTQLQIEISA-N 1 0 398.457 -0.239 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](CC[NH3+])C(F)F)s1 ZINC000573092922 530505765 /nfs/dbraw/zinc/50/57/65/530505765.db2.gz HKFQTFDKWKEWFX-SNVBAGLBSA-N 1 0 398.457 -0.239 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCO1 ZINC000573094108 530505444 /nfs/dbraw/zinc/50/54/44/530505444.db2.gz XLTLVACHSGHWJU-LLVKDONJSA-N 1 0 392.275 -0.087 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCO1 ZINC000573094110 530505501 /nfs/dbraw/zinc/50/55/01/530505501.db2.gz XLTLVACHSGHWJU-NSHDSACASA-N 1 0 392.275 -0.087 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099189 530505631 /nfs/dbraw/zinc/50/56/31/530505631.db2.gz QQLRWXJFLJBERI-GHMZBOCLSA-N 1 0 378.495 -0.950 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099190 530505503 /nfs/dbraw/zinc/50/55/03/530505503.db2.gz QQLRWXJFLJBERI-MNOVXSKESA-N 1 0 378.495 -0.950 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099191 530505692 /nfs/dbraw/zinc/50/56/92/530505692.db2.gz QQLRWXJFLJBERI-QWRGUYRKSA-N 1 0 378.495 -0.950 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000573099192 530505570 /nfs/dbraw/zinc/50/55/70/530505570.db2.gz QQLRWXJFLJBERI-WDEREUQCSA-N 1 0 378.495 -0.950 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104378 530505522 /nfs/dbraw/zinc/50/55/22/530505522.db2.gz PJRFXAFMPJLUJR-CHWSQXEVSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104387 530505822 /nfs/dbraw/zinc/50/58/22/530505822.db2.gz PJRFXAFMPJLUJR-OLZOCXBDSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104388 530505781 /nfs/dbraw/zinc/50/57/81/530505781.db2.gz PJRFXAFMPJLUJR-QWHCGFSZSA-N 1 0 395.257 -0.051 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CCN2C1=O ZINC000573104389 530505622 /nfs/dbraw/zinc/50/56/22/530505622.db2.gz PJRFXAFMPJLUJR-STQMWFEESA-N 1 0 395.257 -0.051 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncc1Br ZINC000573105319 530506001 /nfs/dbraw/zinc/50/60/01/530506001.db2.gz UUADPHRWVKRIMT-GXSJLCMTSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncc1Br ZINC000573105339 530505951 /nfs/dbraw/zinc/50/59/51/530505951.db2.gz UUADPHRWVKRIMT-KOLCDFICSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncc1Br ZINC000573105340 530506103 /nfs/dbraw/zinc/50/61/03/530506103.db2.gz UUADPHRWVKRIMT-MWLCHTKSSA-N 1 0 396.245 -0.139 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncc1Br ZINC000573105343 530505869 /nfs/dbraw/zinc/50/58/69/530505869.db2.gz UUADPHRWVKRIMT-ONGXEEELSA-N 1 0 396.245 -0.139 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000573124137 530506059 /nfs/dbraw/zinc/50/60/59/530506059.db2.gz UKZNZPOAGLHCGW-GFCCVEGCSA-N 1 0 376.504 -0.800 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000573124142 530505946 /nfs/dbraw/zinc/50/59/46/530505946.db2.gz UKZNZPOAGLHCGW-LBPRGKRZSA-N 1 0 376.504 -0.800 20 0 GBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211472 530505936 /nfs/dbraw/zinc/50/59/36/530505936.db2.gz QZQZQFCPCFGMHT-CYBMUJFWSA-N 1 0 394.563 -0.672 20 0 GBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000573211473 530505969 /nfs/dbraw/zinc/50/59/69/530505969.db2.gz QZQZQFCPCFGMHT-ZDUSSCGKSA-N 1 0 394.563 -0.672 20 0 GBADRO Cn1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(Br)c1=O ZINC000573267350 530506193 /nfs/dbraw/zinc/50/61/93/530506193.db2.gz FRBVZOVBXDGNTD-GXSJLCMTSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(Br)c1=O ZINC000573267351 530506228 /nfs/dbraw/zinc/50/62/28/530506228.db2.gz FRBVZOVBXDGNTD-KOLCDFICSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(Br)c1=O ZINC000573267352 530506172 /nfs/dbraw/zinc/50/61/72/530506172.db2.gz FRBVZOVBXDGNTD-MWLCHTKSSA-N 1 0 384.234 -0.077 20 0 GBADRO Cn1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(Br)c1=O ZINC000573267353 530506006 /nfs/dbraw/zinc/50/60/06/530506006.db2.gz FRBVZOVBXDGNTD-ONGXEEELSA-N 1 0 384.234 -0.077 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)s1 ZINC000573309390 530506402 /nfs/dbraw/zinc/50/64/02/530506402.db2.gz LCPHRWXXJBDPIN-GFCCVEGCSA-N 1 0 388.515 -0.352 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)s1 ZINC000573309391 530506572 /nfs/dbraw/zinc/50/65/72/530506572.db2.gz LCPHRWXXJBDPIN-LBPRGKRZSA-N 1 0 388.515 -0.352 20 0 GBADRO COCCOCCOCCS(=O)(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573323663 530506357 /nfs/dbraw/zinc/50/63/57/530506357.db2.gz UCSCWXCFHQYYPY-HNNXBMFYSA-N 1 0 380.507 -0.317 20 0 GBADRO COCCOCCOCCS(=O)(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573323664 530506681 /nfs/dbraw/zinc/50/66/81/530506681.db2.gz UCSCWXCFHQYYPY-OAHLLOKOSA-N 1 0 380.507 -0.317 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000573333899 530506625 /nfs/dbraw/zinc/50/66/25/530506625.db2.gz ISOUXMDGOGOMMF-UHFFFAOYSA-N 1 0 389.250 -0.062 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)c(C)c[nH+]1 ZINC000573339610 530506519 /nfs/dbraw/zinc/50/65/19/530506519.db2.gz QKJJNEDZXXKPPJ-ZDUSSCGKSA-N 1 0 379.504 -0.105 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1)S(C)(=O)=O ZINC000573345703 530506406 /nfs/dbraw/zinc/50/64/06/530506406.db2.gz SCOUNLABKWBBBM-AWEZNQCLSA-N 1 0 376.523 -0.283 20 0 GBADRO CCN(CCCNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1)S(C)(=O)=O ZINC000573345704 530506612 /nfs/dbraw/zinc/50/66/12/530506612.db2.gz SCOUNLABKWBBBM-CQSZACIVSA-N 1 0 376.523 -0.283 20 0 GBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000573354843 530506608 /nfs/dbraw/zinc/50/66/08/530506608.db2.gz XHCNFLVKHDNKKY-HNNXBMFYSA-N 1 0 376.523 -0.267 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCN2CC[NH+](CC)CC2)C1 ZINC000573354844 530506542 /nfs/dbraw/zinc/50/65/42/530506542.db2.gz XHCNFLVKHDNKKY-OAHLLOKOSA-N 1 0 376.523 -0.267 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000573380906 530506350 /nfs/dbraw/zinc/50/63/50/530506350.db2.gz HQRGABPZCMVQNG-UHFFFAOYSA-N 1 0 392.547 -0.931 20 0 GBADRO C[NH+](C)[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@@H]1O ZINC000573383949 530506632 /nfs/dbraw/zinc/50/66/32/530506632.db2.gz LKMFKVPOPFLESV-STQMWFEESA-N 1 0 376.866 -0.467 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)C1 ZINC000573472961 530506637 /nfs/dbraw/zinc/50/66/37/530506637.db2.gz JWSHDOHICMTDSP-KBPBESRZSA-N 1 0 377.507 -0.505 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC000573472962 530506648 /nfs/dbraw/zinc/50/66/48/530506648.db2.gz JWSHDOHICMTDSP-KGLIPLIRSA-N 1 0 377.507 -0.505 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)C1 ZINC000573472965 530506643 /nfs/dbraw/zinc/50/66/43/530506643.db2.gz JWSHDOHICMTDSP-UONOGXRCSA-N 1 0 377.507 -0.505 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC000573472966 530506691 /nfs/dbraw/zinc/50/66/91/530506691.db2.gz JWSHDOHICMTDSP-ZIAGYGMSSA-N 1 0 377.507 -0.505 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCCO1 ZINC000573489431 530506692 /nfs/dbraw/zinc/50/66/92/530506692.db2.gz ZWAOLACTRSYCTP-GFCCVEGCSA-N 1 0 388.515 -0.058 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCCO1 ZINC000573489436 530506549 /nfs/dbraw/zinc/50/65/49/530506549.db2.gz ZWAOLACTRSYCTP-LBPRGKRZSA-N 1 0 388.515 -0.058 20 0 GBADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507320 530506884 /nfs/dbraw/zinc/50/68/84/530506884.db2.gz YFCIZQVGMRXBDU-CYBMUJFWSA-N 1 0 391.519 -0.706 20 0 GBADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 ZINC000573507322 530507058 /nfs/dbraw/zinc/50/70/58/530507058.db2.gz YFCIZQVGMRXBDU-ZDUSSCGKSA-N 1 0 391.519 -0.706 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000573512176 530506976 /nfs/dbraw/zinc/50/69/76/530506976.db2.gz SXMGYWZDADLSDR-HNNXBMFYSA-N 1 0 376.523 -0.628 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000573512182 530507032 /nfs/dbraw/zinc/50/70/32/530507032.db2.gz SXMGYWZDADLSDR-OAHLLOKOSA-N 1 0 376.523 -0.628 20 0 GBADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000573548256 530506937 /nfs/dbraw/zinc/50/69/37/530506937.db2.gz QWLLXEOFZRLFQL-UHFFFAOYSA-N 1 0 388.877 -0.155 20 0 GBADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000573563457 530507109 /nfs/dbraw/zinc/50/71/09/530507109.db2.gz CGJXGZIBEJNLGD-UHFFFAOYSA-N 1 0 375.834 -0.163 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000573626369 530507088 /nfs/dbraw/zinc/50/70/88/530507088.db2.gz ZITJMHBXDHNIPQ-UHFFFAOYSA-N 1 0 390.828 -0.262 20 0 GBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000573684098 530507027 /nfs/dbraw/zinc/50/70/27/530507027.db2.gz LHCOJLNMAVDJFH-CABCVRRESA-N 1 0 376.523 -0.054 20 0 GBADRO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000573684099 530506808 /nfs/dbraw/zinc/50/68/08/530506808.db2.gz LHCOJLNMAVDJFH-GJZGRUSLSA-N 1 0 376.523 -0.054 20 0 GBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000573684100 530507011 /nfs/dbraw/zinc/50/70/11/530507011.db2.gz LHCOJLNMAVDJFH-HUUCEWRRSA-N 1 0 376.523 -0.054 20 0 GBADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000573684101 530506729 /nfs/dbraw/zinc/50/67/29/530506729.db2.gz LHCOJLNMAVDJFH-LSDHHAIUSA-N 1 0 376.523 -0.054 20 0 GBADRO COCCOC[C@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000573713146 530506999 /nfs/dbraw/zinc/50/69/99/530506999.db2.gz STTRVYRVDZWJIS-CYBMUJFWSA-N 1 0 394.515 -0.118 20 0 GBADRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000573713147 530506777 /nfs/dbraw/zinc/50/67/77/530506777.db2.gz STTRVYRVDZWJIS-ZDUSSCGKSA-N 1 0 394.515 -0.118 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C[C@@H]1O ZINC000573884625 530507452 /nfs/dbraw/zinc/50/74/52/530507452.db2.gz NHKMAODGVAFSAM-RYUDHWBXSA-N 1 0 389.499 -0.484 20 0 GBADRO O=C(C[NH2+]C(CO)CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000573931454 530507265 /nfs/dbraw/zinc/50/72/65/530507265.db2.gz VLWQXXDHKMFADD-UHFFFAOYSA-N 1 0 391.877 -0.884 20 0 GBADRO CN(CCNC(=O)NCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000573942120 530507415 /nfs/dbraw/zinc/50/74/15/530507415.db2.gz GDXFXSNHTBPZQP-UHFFFAOYSA-N 1 0 389.503 -0.900 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000574070605 530507510 /nfs/dbraw/zinc/50/75/10/530507510.db2.gz WJQZRKIEJZNSOE-GFCCVEGCSA-N 1 0 388.519 -0.689 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000574070608 530507858 /nfs/dbraw/zinc/50/78/58/530507858.db2.gz WJQZRKIEJZNSOE-LBPRGKRZSA-N 1 0 388.519 -0.689 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000574095844 530507821 /nfs/dbraw/zinc/50/78/21/530507821.db2.gz VEVSZUNYZQYVGQ-CYBMUJFWSA-N 1 0 378.539 -0.133 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000574095848 530507731 /nfs/dbraw/zinc/50/77/31/530507731.db2.gz VEVSZUNYZQYVGQ-ZDUSSCGKSA-N 1 0 378.539 -0.133 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099635 530507698 /nfs/dbraw/zinc/50/76/98/530507698.db2.gz MZKCSKNENBTABA-GXSJLCMTSA-N 1 0 379.218 -0.124 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099636 530507864 /nfs/dbraw/zinc/50/78/64/530507864.db2.gz MZKCSKNENBTABA-KOLCDFICSA-N 1 0 379.218 -0.124 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099637 530507648 /nfs/dbraw/zinc/50/76/48/530507648.db2.gz MZKCSKNENBTABA-MWLCHTKSSA-N 1 0 379.218 -0.124 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCN2C1=O ZINC000574099638 530507870 /nfs/dbraw/zinc/50/78/70/530507870.db2.gz MZKCSKNENBTABA-ONGXEEELSA-N 1 0 379.218 -0.124 20 0 GBADRO C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)NCC[NH+](C)C ZINC000574171578 530507747 /nfs/dbraw/zinc/50/77/47/530507747.db2.gz OAMKYRCETOLZNL-LLVKDONJSA-N 1 0 390.531 -0.364 20 0 GBADRO C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)NCC[NH+](C)C ZINC000574171582 530507599 /nfs/dbraw/zinc/50/75/99/530507599.db2.gz OAMKYRCETOLZNL-NSHDSACASA-N 1 0 390.531 -0.364 20 0 GBADRO O=C(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N1CC[NH2+]CC1 ZINC000574202617 530507785 /nfs/dbraw/zinc/50/77/85/530507785.db2.gz NYYYPFXYVKXLLG-UHFFFAOYSA-N 1 0 375.834 -0.179 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(F)(F)F ZINC000574227988 530507765 /nfs/dbraw/zinc/50/77/65/530507765.db2.gz DYMNRUFSVSRNCQ-GHMZBOCLSA-N 1 0 389.444 -0.646 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(F)(F)F ZINC000574227989 530507634 /nfs/dbraw/zinc/50/76/34/530507634.db2.gz DYMNRUFSVSRNCQ-MNOVXSKESA-N 1 0 389.444 -0.646 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(F)(F)F ZINC000574227990 530507713 /nfs/dbraw/zinc/50/77/13/530507713.db2.gz DYMNRUFSVSRNCQ-QWRGUYRKSA-N 1 0 389.444 -0.646 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(F)(F)F ZINC000574227991 530507811 /nfs/dbraw/zinc/50/78/11/530507811.db2.gz DYMNRUFSVSRNCQ-WDEREUQCSA-N 1 0 389.444 -0.646 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]23CCC(=O)N2CCS3)c1 ZINC000574324171 530507972 /nfs/dbraw/zinc/50/79/72/530507972.db2.gz VNTNUFORMPXMSI-HNNXBMFYSA-N 1 0 384.483 -0.072 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]23CCC(=O)N2CCS3)c1 ZINC000574324172 530508113 /nfs/dbraw/zinc/50/81/13/530508113.db2.gz VNTNUFORMPXMSI-OAHLLOKOSA-N 1 0 384.483 -0.072 20 0 GBADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000574328774 530508038 /nfs/dbraw/zinc/50/80/38/530508038.db2.gz XTXJDJKTTBUZRI-UHFFFAOYSA-N 1 0 375.535 -0.030 20 0 GBADRO C[C@@H]1CC2(CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000574465617 530508120 /nfs/dbraw/zinc/50/81/20/530508120.db2.gz MJXXFGWGTOJPND-CYBMUJFWSA-N 1 0 380.536 -0.728 20 0 GBADRO C[C@H]1CC2(CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000574465618 530508332 /nfs/dbraw/zinc/50/83/32/530508332.db2.gz MJXXFGWGTOJPND-ZDUSSCGKSA-N 1 0 380.536 -0.728 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000574471761 530508122 /nfs/dbraw/zinc/50/81/22/530508122.db2.gz MPHBUZCSRAEDAI-UHFFFAOYSA-N 1 0 387.527 -0.068 20 0 GBADRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000574480044 530508324 /nfs/dbraw/zinc/50/83/24/530508324.db2.gz GLCMJQCDPDWGOP-UHFFFAOYSA-N 1 0 392.503 -0.913 20 0 GBADRO COc1ccc(Br)c(NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000574502428 530508307 /nfs/dbraw/zinc/50/83/07/530508307.db2.gz XZIMCAWWBJMYLC-UHFFFAOYSA-N 1 0 399.245 -0.056 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000574549058 530508031 /nfs/dbraw/zinc/50/80/31/530508031.db2.gz CZQXIMOWNALCTQ-UHFFFAOYSA-N 1 0 389.275 -0.325 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000574564836 530508156 /nfs/dbraw/zinc/50/81/56/530508156.db2.gz GPKJITUAILWLHV-UHFFFAOYSA-N 1 0 375.539 -0.264 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000574588187 530508530 /nfs/dbraw/zinc/50/85/30/530508530.db2.gz YOIJXGIBNBBHDP-STQMWFEESA-N 1 0 378.520 -0.085 20 0 GBADRO CC(C)OCC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000574631402 530508736 /nfs/dbraw/zinc/50/87/36/530508736.db2.gz HJZITBPEPBTNRE-INIZCTEOSA-N 1 0 379.523 -0.207 20 0 GBADRO CC(C)OCC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000574631405 530508492 /nfs/dbraw/zinc/50/84/92/530508492.db2.gz HJZITBPEPBTNRE-MRXNPFEDSA-N 1 0 379.523 -0.207 20 0 GBADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000574652147 530508518 /nfs/dbraw/zinc/50/85/18/530508518.db2.gz MSILVZCTIPHULY-HNNXBMFYSA-N 1 0 390.531 -0.340 20 0 GBADRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000574652148 530508679 /nfs/dbraw/zinc/50/86/79/530508679.db2.gz MSILVZCTIPHULY-OAHLLOKOSA-N 1 0 390.531 -0.340 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000574742668 530508711 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CS(=O)(=O)NCCc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000574808424 530508970 /nfs/dbraw/zinc/50/89/70/530508970.db2.gz CWMLUIVOYYEBML-ZDUSSCGKSA-N 1 0 386.543 -0.041 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000574915059 1072945058 /nfs/dbraw/zinc/94/50/58/1072945058.db2.gz ACHRFURTQFZJHF-HNNXBMFYSA-N 1 0 377.493 -0.214 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927275 530124789 /nfs/dbraw/zinc/12/47/89/530124789.db2.gz CVPGPNVUSOXCBB-NXEZZACHSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927276 530125063 /nfs/dbraw/zinc/12/50/63/530125063.db2.gz CVPGPNVUSOXCBB-UWVGGRQHSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927277 530125109 /nfs/dbraw/zinc/12/51/09/530125109.db2.gz CVPGPNVUSOXCBB-VHSXEESVSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cn3)CCN2C1=O ZINC000574927278 530125073 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377.488 -0.279 20 0 GBADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576399649 530510595 /nfs/dbraw/zinc/51/05/95/530510595.db2.gz QKAJGLPFVLXTRT-RYUDHWBXSA-N 1 0 377.488 -0.279 20 0 GBADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576399651 530510847 /nfs/dbraw/zinc/51/08/47/530510847.db2.gz QKAJGLPFVLXTRT-VXGBXAGGSA-N 1 0 377.488 -0.279 20 0 GBADRO NC(=O)c1cccnc1N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000576403187 1073929412 /nfs/dbraw/zinc/92/94/12/1073929412.db2.gz RANNPVJNOUCOLV-UHFFFAOYSA-N 1 0 383.456 -0.196 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCN2C1=O ZINC000576411701 530510845 /nfs/dbraw/zinc/51/08/45/530510845.db2.gz IXRHILRXGVXELL-NEPJUHHUSA-N 1 0 398.261 -0.436 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCN2C1=O ZINC000576411702 530510628 /nfs/dbraw/zinc/51/06/28/530510628.db2.gz IXRHILRXGVXELL-NWDGAFQWSA-N 1 0 398.261 -0.436 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCN2C1=O ZINC000576411703 530510540 /nfs/dbraw/zinc/51/05/40/530510540.db2.gz IXRHILRXGVXELL-RYUDHWBXSA-N 1 0 398.261 -0.436 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CCN2C1=O ZINC000576411704 530510821 /nfs/dbraw/zinc/51/08/21/530510821.db2.gz IXRHILRXGVXELL-VXGBXAGGSA-N 1 0 398.261 -0.436 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000576415762 1073931382 /nfs/dbraw/zinc/93/13/82/1073931382.db2.gz PIWKDQDFUCDMLJ-UHFFFAOYSA-N 1 0 382.505 -0.463 20 0 GBADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)C[C@H](C)[N@H+]1CCO ZINC000576443917 1073932875 /nfs/dbraw/zinc/93/28/75/1073932875.db2.gz NUZHVJQOCYAJFT-OKILXGFUSA-N 1 0 385.490 -0.544 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000576461730 1073936435 /nfs/dbraw/zinc/93/64/35/1073936435.db2.gz IDVFHOUMUVYTMD-AWEZNQCLSA-N 1 0 388.424 -0.432 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000576461731 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O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579932710 1072303469 /nfs/dbraw/zinc/30/34/69/1072303469.db2.gz ZTIUKUGOYRPTPV-QGZVFWFLSA-N 1 0 382.468 0.376 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000579933310 1072304573 /nfs/dbraw/zinc/30/45/73/1072304573.db2.gz PPSVFRXMIVYMOK-CHWSQXEVSA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000579933311 1072304602 /nfs/dbraw/zinc/30/46/02/1072304602.db2.gz PPSVFRXMIVYMOK-OLZOCXBDSA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000579933312 1072304212 /nfs/dbraw/zinc/30/42/12/1072304212.db2.gz PPSVFRXMIVYMOK-QWHCGFSZSA-N 1 0 393.875 -0.337 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000579933313 1072304519 /nfs/dbraw/zinc/30/45/19/1072304519.db2.gz PPSVFRXMIVYMOK-STQMWFEESA-N 1 0 393.875 -0.337 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000579933475 1072303285 /nfs/dbraw/zinc/30/32/85/1072303285.db2.gz PEDKSINJGKIQDW-UHFFFAOYSA-N 1 0 382.486 -0.318 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000579933554 1072303258 /nfs/dbraw/zinc/30/32/58/1072303258.db2.gz CBPGTHNTSLEONM-GDBMZVCRSA-N 1 0 375.473 -0.509 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000579933555 1072303384 /nfs/dbraw/zinc/30/33/84/1072303384.db2.gz CBPGTHNTSLEONM-GOEBONIOSA-N 1 0 375.473 -0.509 20 0 GBADRO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000579933556 1072303709 /nfs/dbraw/zinc/30/37/09/1072303709.db2.gz CBPGTHNTSLEONM-HOCLYGCPSA-N 1 0 375.473 -0.509 20 0 GBADRO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000579933557 1072303368 /nfs/dbraw/zinc/30/33/68/1072303368.db2.gz CBPGTHNTSLEONM-ZBFHGGJFSA-N 1 0 375.473 -0.509 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000579933649 1072306029 /nfs/dbraw/zinc/30/60/29/1072306029.db2.gz PFGKHIBEZYNKKR-CHWSQXEVSA-N 1 0 380.880 -0.469 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000579933650 1072306111 /nfs/dbraw/zinc/30/61/11/1072306111.db2.gz PFGKHIBEZYNKKR-OLZOCXBDSA-N 1 0 380.880 -0.469 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000579933651 1072306305 /nfs/dbraw/zinc/30/63/05/1072306305.db2.gz PFGKHIBEZYNKKR-QWHCGFSZSA-N 1 0 380.880 -0.469 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000579933652 1072306478 /nfs/dbraw/zinc/30/64/78/1072306478.db2.gz PFGKHIBEZYNKKR-STQMWFEESA-N 1 0 380.880 -0.469 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000579936110 1072311127 /nfs/dbraw/zinc/31/11/27/1072311127.db2.gz HFGLSYZOAXZQPT-NEPJUHHUSA-N 1 0 394.394 -0.507 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000579936111 1072310895 /nfs/dbraw/zinc/31/08/95/1072310895.db2.gz HFGLSYZOAXZQPT-NWDGAFQWSA-N 1 0 394.394 -0.507 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000579936112 1072310818 /nfs/dbraw/zinc/31/08/18/1072310818.db2.gz HFGLSYZOAXZQPT-RYUDHWBXSA-N 1 0 394.394 -0.507 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000579936113 1072310557 /nfs/dbraw/zinc/31/05/57/1072310557.db2.gz HFGLSYZOAXZQPT-VXGBXAGGSA-N 1 0 394.394 -0.507 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000579936379 1072309977 /nfs/dbraw/zinc/30/99/77/1072309977.db2.gz JLBVFIANDNBQIT-GXTWGEPZSA-N 1 0 377.420 -0.852 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000579936382 1072309158 /nfs/dbraw/zinc/30/91/58/1072309158.db2.gz JLBVFIANDNBQIT-JSGCOSHPSA-N 1 0 377.420 -0.852 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000579936384 1072308625 /nfs/dbraw/zinc/30/86/25/1072308625.db2.gz JLBVFIANDNBQIT-OCCSQVGLSA-N 1 0 377.420 -0.852 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000579936386 1072309043 /nfs/dbraw/zinc/30/90/43/1072309043.db2.gz JLBVFIANDNBQIT-TZMCWYRMSA-N 1 0 377.420 -0.852 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC12CCCCC2 ZINC000579945201 1072321248 /nfs/dbraw/zinc/32/12/48/1072321248.db2.gz ZJWZGWARFSLGSQ-INIZCTEOSA-N 1 0 380.489 -0.044 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC12CCCCC2 ZINC000579945202 1072321294 /nfs/dbraw/zinc/32/12/94/1072321294.db2.gz ZJWZGWARFSLGSQ-MRXNPFEDSA-N 1 0 380.489 -0.044 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000579947573 1072322924 /nfs/dbraw/zinc/32/29/24/1072322924.db2.gz TWFXGNRSMKJHCS-AWEZNQCLSA-N 1 0 377.445 -0.483 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000579947574 1072323503 /nfs/dbraw/zinc/32/35/03/1072323503.db2.gz TWFXGNRSMKJHCS-CQSZACIVSA-N 1 0 377.445 -0.483 20 0 GBADRO C[NH2+][C@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000579949937 1072325702 /nfs/dbraw/zinc/32/57/02/1072325702.db2.gz JMHOSTQOHBRIPH-AWEZNQCLSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000579949938 1072325261 /nfs/dbraw/zinc/32/52/61/1072325261.db2.gz JMHOSTQOHBRIPH-CQSZACIVSA-N 1 0 382.486 -0.123 20 0 GBADRO O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000579950108 1072325581 /nfs/dbraw/zinc/32/55/81/1072325581.db2.gz UTQSGPVCCOWKSG-UHFFFAOYSA-N 1 0 383.416 -0.151 20 0 GBADRO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000579950677 1072325222 /nfs/dbraw/zinc/32/52/22/1072325222.db2.gz NOPQWFGIJCHSDB-KBXCAEBGSA-N 1 0 386.452 -0.043 20 0 GBADRO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000579950678 1072325676 /nfs/dbraw/zinc/32/56/76/1072325676.db2.gz NOPQWFGIJCHSDB-KDOFPFPSSA-N 1 0 386.452 -0.043 20 0 GBADRO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000579950679 1072325493 /nfs/dbraw/zinc/32/54/93/1072325493.db2.gz NOPQWFGIJCHSDB-KSSFIOAISA-N 1 0 386.452 -0.043 20 0 GBADRO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000579950680 1072325553 /nfs/dbraw/zinc/32/55/53/1072325553.db2.gz NOPQWFGIJCHSDB-RDTXWAMCSA-N 1 0 386.452 -0.043 20 0 GBADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000579951271 1072325724 /nfs/dbraw/zinc/32/57/24/1072325724.db2.gz AAPDQZNENXJQPM-CYBMUJFWSA-N 1 0 381.454 -0.077 20 0 GBADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000579951272 1072325508 /nfs/dbraw/zinc/32/55/08/1072325508.db2.gz AAPDQZNENXJQPM-ZDUSSCGKSA-N 1 0 381.454 -0.077 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000579956091 1072326593 /nfs/dbraw/zinc/32/65/93/1072326593.db2.gz ASIBTGSKQNNPLV-INIZCTEOSA-N 1 0 378.477 -0.672 20 0 GBADRO COCCNC(=O)CN1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000579956092 1072326230 /nfs/dbraw/zinc/32/62/30/1072326230.db2.gz ASIBTGSKQNNPLV-MRXNPFEDSA-N 1 0 378.477 -0.672 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCCO1 ZINC000579956576 530102199 /nfs/dbraw/zinc/10/21/99/530102199.db2.gz NHLXEYNOOUKIOJ-GFCCVEGCSA-N 1 0 389.499 -0.041 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCCO1 ZINC000579956577 530102271 /nfs/dbraw/zinc/10/22/71/530102271.db2.gz NHLXEYNOOUKIOJ-LBPRGKRZSA-N 1 0 389.499 -0.041 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(S(C)(=O)=O)ccc2=O)C1 ZINC000579956966 1072327198 /nfs/dbraw/zinc/32/71/98/1072327198.db2.gz YXBMXSHWIADZOP-AWEZNQCLSA-N 1 0 385.486 -0.275 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(S(C)(=O)=O)ccc2=O)C1 ZINC000579956967 1072327122 /nfs/dbraw/zinc/32/71/22/1072327122.db2.gz YXBMXSHWIADZOP-CQSZACIVSA-N 1 0 385.486 -0.275 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCc3nnnn3CC2)cn1 ZINC000579960076 1072328265 /nfs/dbraw/zinc/32/82/65/1072328265.db2.gz SKWGYHSUHYFUKZ-GFCCVEGCSA-N 1 0 375.437 -0.861 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCc3nnnn3CC2)cn1 ZINC000579960077 1072328580 /nfs/dbraw/zinc/32/85/80/1072328580.db2.gz SKWGYHSUHYFUKZ-LBPRGKRZSA-N 1 0 375.437 -0.861 20 0 GBADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000579960361 1072329260 /nfs/dbraw/zinc/32/92/60/1072329260.db2.gz QFVYNNMHWGAPRX-ROUUACIJSA-N 1 0 398.529 -0.888 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579961556 1072329216 /nfs/dbraw/zinc/32/92/16/1072329216.db2.gz LQHPSBDDKYYNKK-MSOLQXFVSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579961557 1072329194 /nfs/dbraw/zinc/32/91/94/1072329194.db2.gz LQHPSBDDKYYNKK-QZTJIDSGSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579961582 1072329110 /nfs/dbraw/zinc/32/91/10/1072329110.db2.gz LQHPSBDDKYYNKK-ROUUACIJSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579961583 1072329566 /nfs/dbraw/zinc/32/95/66/1072329566.db2.gz LQHPSBDDKYYNKK-ZWKOTPCHSA-N 1 0 393.532 -0.794 20 0 GBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000579968481 1072330765 /nfs/dbraw/zinc/33/07/65/1072330765.db2.gz AWTBAFFLEQWAJB-UHFFFAOYSA-N 1 0 393.532 -0.399 20 0 GBADRO O=C(Nc1nc2n(n1)CCCC2)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579970699 1072333480 /nfs/dbraw/zinc/33/34/80/1072333480.db2.gz IWSXBCVRLBKIIR-AWEZNQCLSA-N 1 0 376.461 0.266 20 0 GBADRO O=C(Nc1nc2n(n1)CCCC2)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579970700 1072333718 /nfs/dbraw/zinc/33/37/18/1072333718.db2.gz IWSXBCVRLBKIIR-CQSZACIVSA-N 1 0 376.461 0.266 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2Cc3ccccc3NC(=O)C2)C1 ZINC000579972495 1072333374 /nfs/dbraw/zinc/33/33/74/1072333374.db2.gz ZEHSKKPYGBTVGW-AWEZNQCLSA-N 1 0 387.440 -0.719 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3ccccc3NC(=O)C2)C1 ZINC000579972496 1072333561 /nfs/dbraw/zinc/33/35/61/1072333561.db2.gz ZEHSKKPYGBTVGW-CQSZACIVSA-N 1 0 387.440 -0.719 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973205 1072335154 /nfs/dbraw/zinc/33/51/54/1072335154.db2.gz WLYGDXZKJQXUBE-DLBZAZTESA-N 1 0 375.448 -0.282 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973211 1072335364 /nfs/dbraw/zinc/33/53/64/1072335364.db2.gz WLYGDXZKJQXUBE-IAGOWNOFSA-N 1 0 375.448 -0.282 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973212 1072335643 /nfs/dbraw/zinc/33/56/43/1072335643.db2.gz WLYGDXZKJQXUBE-IRXDYDNUSA-N 1 0 375.448 -0.282 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CCN2C1=O ZINC000579973213 1072335677 /nfs/dbraw/zinc/33/56/77/1072335677.db2.gz WLYGDXZKJQXUBE-SJORKVTESA-N 1 0 375.448 -0.282 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974671 530102620 /nfs/dbraw/zinc/10/26/20/530102620.db2.gz SKEXSFYJPKTDNS-CVEARBPZSA-N 1 0 379.523 -0.948 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974672 530102525 /nfs/dbraw/zinc/10/25/25/530102525.db2.gz SKEXSFYJPKTDNS-HOTGVXAUSA-N 1 0 379.523 -0.948 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974673 530102511 /nfs/dbraw/zinc/10/25/11/530102511.db2.gz SKEXSFYJPKTDNS-HZPDHXFCSA-N 1 0 379.523 -0.948 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000579974674 530102773 /nfs/dbraw/zinc/10/27/73/530102773.db2.gz SKEXSFYJPKTDNS-JKSUJKDBSA-N 1 0 379.523 -0.948 20 0 GBADRO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000579975857 1072339673 /nfs/dbraw/zinc/33/96/73/1072339673.db2.gz AGYMFOMKXPIIKK-AWEZNQCLSA-N 1 0 393.444 -0.577 20 0 GBADRO COC(=O)CNC(=O)CNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000579975860 1072339468 /nfs/dbraw/zinc/33/94/68/1072339468.db2.gz AGYMFOMKXPIIKK-CQSZACIVSA-N 1 0 393.444 -0.577 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)ccn2)CC1 ZINC000579984434 1072342149 /nfs/dbraw/zinc/34/21/49/1072342149.db2.gz AONMCYSPTOFHIR-INIZCTEOSA-N 1 0 397.483 -0.154 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)ccn2)CC1 ZINC000579984435 1072341924 /nfs/dbraw/zinc/34/19/24/1072341924.db2.gz AONMCYSPTOFHIR-MRXNPFEDSA-N 1 0 397.483 -0.154 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000579985684 1072343267 /nfs/dbraw/zinc/34/32/67/1072343267.db2.gz IFCAWIDBUARRTH-BRWVUGGUSA-N 1 0 385.505 -0.293 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000579985687 1072342802 /nfs/dbraw/zinc/34/28/02/1072342802.db2.gz IFCAWIDBUARRTH-GVDBMIGSSA-N 1 0 385.505 -0.293 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000579985689 1072343199 /nfs/dbraw/zinc/34/31/99/1072343199.db2.gz IFCAWIDBUARRTH-IXDOHACOSA-N 1 0 385.505 -0.293 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000579985690 1072343193 /nfs/dbraw/zinc/34/31/93/1072343193.db2.gz IFCAWIDBUARRTH-YESZJQIVSA-N 1 0 385.505 -0.293 20 0 GBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579987085 1072343238 /nfs/dbraw/zinc/34/32/38/1072343238.db2.gz LNXAAVYJVKIVQH-HUUCEWRRSA-N 1 0 378.473 -0.515 20 0 GBADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCOCC1 ZINC000579996662 1072346018 /nfs/dbraw/zinc/34/60/18/1072346018.db2.gz HSWXPKQFVHHOBG-DLBZAZTESA-N 1 0 396.532 -0.293 20 0 GBADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCOCC1 ZINC000579996663 1072345812 /nfs/dbraw/zinc/34/58/12/1072345812.db2.gz HSWXPKQFVHHOBG-IAGOWNOFSA-N 1 0 396.532 -0.293 20 0 GBADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCOCC1 ZINC000579996664 1072346206 /nfs/dbraw/zinc/34/62/06/1072346206.db2.gz HSWXPKQFVHHOBG-IRXDYDNUSA-N 1 0 396.532 -0.293 20 0 GBADRO CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCOCC1 ZINC000579996665 1072346111 /nfs/dbraw/zinc/34/61/11/1072346111.db2.gz HSWXPKQFVHHOBG-SJORKVTESA-N 1 0 396.532 -0.293 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001741 1072346148 /nfs/dbraw/zinc/34/61/48/1072346148.db2.gz RPDBBCMFZGKFKG-QLFBSQMISA-N 1 0 380.489 -0.176 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001742 1072345785 /nfs/dbraw/zinc/34/57/85/1072345785.db2.gz RPDBBCMFZGKFKG-RBSFLKMASA-N 1 0 380.489 -0.176 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000580001743 1072345913 /nfs/dbraw/zinc/34/59/13/1072345913.db2.gz RPDBBCMFZGKFKG-RRFJBIMHSA-N 1 0 380.489 -0.176 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000580001744 1072345819 /nfs/dbraw/zinc/34/58/19/1072345819.db2.gz RPDBBCMFZGKFKG-SOUVJXGZSA-N 1 0 380.489 -0.176 20 0 GBADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000580001998 530102504 /nfs/dbraw/zinc/10/25/04/530102504.db2.gz DPTGBZZZJJRNMH-UHFFFAOYSA-N 1 0 378.520 -0.504 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000580002976 1072346813 /nfs/dbraw/zinc/34/68/13/1072346813.db2.gz ZQTNXAPUEUNNPP-DZGCQCFKSA-N 1 0 377.489 -0.849 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000580002977 1072346575 /nfs/dbraw/zinc/34/65/75/1072346575.db2.gz ZQTNXAPUEUNNPP-HIFRSBDPSA-N 1 0 377.489 -0.849 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000580002978 1072346756 /nfs/dbraw/zinc/34/67/56/1072346756.db2.gz ZQTNXAPUEUNNPP-UKRRQHHQSA-N 1 0 377.489 -0.849 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000580002979 1072346639 /nfs/dbraw/zinc/34/66/39/1072346639.db2.gz ZQTNXAPUEUNNPP-ZFWWWQNUSA-N 1 0 377.489 -0.849 20 0 GBADRO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000580003101 1072346738 /nfs/dbraw/zinc/34/67/38/1072346738.db2.gz GPULXNMETFPIGA-HNNXBMFYSA-N 1 0 393.488 -0.525 20 0 GBADRO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000580003102 1072346852 /nfs/dbraw/zinc/34/68/52/1072346852.db2.gz GPULXNMETFPIGA-OAHLLOKOSA-N 1 0 393.488 -0.525 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000580008481 1072346786 /nfs/dbraw/zinc/34/67/86/1072346786.db2.gz MSPLWYHUHQZXBT-CQSZACIVSA-N 1 0 378.477 -0.020 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)NCc2ccncc2OCC[NH+](C)C)cn1 ZINC000580015374 1072355344 /nfs/dbraw/zinc/35/53/44/1072355344.db2.gz FQHBKURXDRBZBC-UHFFFAOYSA-N 1 0 396.473 -0.650 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])s1 ZINC000580053077 530126063 /nfs/dbraw/zinc/12/60/63/530126063.db2.gz VGSQJYMFNHVDJF-GFCCVEGCSA-N 1 0 375.520 -0.381 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])s1 ZINC000580053078 530126082 /nfs/dbraw/zinc/12/60/82/530126082.db2.gz VGSQJYMFNHVDJF-LBPRGKRZSA-N 1 0 375.520 -0.381 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000580055628 1072415710 /nfs/dbraw/zinc/41/57/10/1072415710.db2.gz DYGOCRADEAVKIC-HNNXBMFYSA-N 1 0 396.394 -0.587 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000580055629 1072415662 /nfs/dbraw/zinc/41/56/62/1072415662.db2.gz DYGOCRADEAVKIC-OAHLLOKOSA-N 1 0 396.394 -0.587 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000580058920 1072416263 /nfs/dbraw/zinc/41/62/63/1072416263.db2.gz JOMLGDOWHLBCOF-UHFFFAOYSA-N 1 0 381.521 -0.399 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](CO)C1CCOCC1)S(C)(=O)=O ZINC000580058968 530126450 /nfs/dbraw/zinc/12/64/50/530126450.db2.gz LKLAKRWOAURZIE-HNNXBMFYSA-N 1 0 379.523 -0.460 20 0 GBADRO CC(C)N(CCCNC(=O)C[NH2+][C@H](CO)C1CCOCC1)S(C)(=O)=O ZINC000580058969 530126222 /nfs/dbraw/zinc/12/62/22/530126222.db2.gz LKLAKRWOAURZIE-OAHLLOKOSA-N 1 0 379.523 -0.460 20 0 GBADRO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000580063599 1072416704 /nfs/dbraw/zinc/41/67/04/1072416704.db2.gz RHZGCDOQLXIHEM-APWZRJJASA-N 1 0 383.456 -0.032 20 0 GBADRO O=C(Cn1cnc2c(c1=O)CC[NH2+]CC2)Nc1cc(-n2cnnn2)ccc1F ZINC000580070403 1072417646 /nfs/dbraw/zinc/41/76/46/1072417646.db2.gz GNSMLVUVMOVGAH-UHFFFAOYSA-N 1 0 384.375 -0.315 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000580072146 1072418399 /nfs/dbraw/zinc/41/83/99/1072418399.db2.gz OUUKKLPNRJLWQS-HNNXBMFYSA-N 1 0 382.486 -0.341 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000580072147 1072418390 /nfs/dbraw/zinc/41/83/90/1072418390.db2.gz OUUKKLPNRJLWQS-OAHLLOKOSA-N 1 0 382.486 -0.341 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000580074580 1072417577 /nfs/dbraw/zinc/41/75/77/1072417577.db2.gz WWUOAIOLXIHVPR-CHWSQXEVSA-N 1 0 385.486 -0.035 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000580074581 1072417593 /nfs/dbraw/zinc/41/75/93/1072417593.db2.gz WWUOAIOLXIHVPR-OLZOCXBDSA-N 1 0 385.486 -0.035 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000580074582 1072417711 /nfs/dbraw/zinc/41/77/11/1072417711.db2.gz WWUOAIOLXIHVPR-QWHCGFSZSA-N 1 0 385.486 -0.035 20 0 GBADRO COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000580074583 1072417392 /nfs/dbraw/zinc/41/73/92/1072417392.db2.gz WWUOAIOLXIHVPR-STQMWFEESA-N 1 0 385.486 -0.035 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000580074996 1072419350 /nfs/dbraw/zinc/41/93/50/1072419350.db2.gz QLLFXJSJKGSQSH-BZPMIXESSA-N 1 0 385.490 -0.557 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000580074997 1072982081 /nfs/dbraw/zinc/98/20/81/1072982081.db2.gz QLLFXJSJKGSQSH-DYEKYZERSA-N 1 0 385.490 -0.557 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000580074998 1072419507 /nfs/dbraw/zinc/41/95/07/1072419507.db2.gz QLLFXJSJKGSQSH-OBJOEFQTSA-N 1 0 385.490 -0.557 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cn1 ZINC000580074999 1072419471 /nfs/dbraw/zinc/41/94/71/1072419471.db2.gz QLLFXJSJKGSQSH-SCRDCRAPSA-N 1 0 385.490 -0.557 20 0 GBADRO CO[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000580076173 530126958 /nfs/dbraw/zinc/12/69/58/530126958.db2.gz VRWXTRHZOIDLMF-BDAKNGLRSA-N 1 0 375.223 -0.324 20 0 GBADRO CO[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000580076174 530127254 /nfs/dbraw/zinc/12/72/54/530127254.db2.gz VRWXTRHZOIDLMF-DTWKUNHWSA-N 1 0 375.223 -0.324 20 0 GBADRO CO[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000580076175 530127021 /nfs/dbraw/zinc/12/70/21/530127021.db2.gz VRWXTRHZOIDLMF-IUCAKERBSA-N 1 0 375.223 -0.324 20 0 GBADRO CO[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000580076176 530126867 /nfs/dbraw/zinc/12/68/67/530126867.db2.gz VRWXTRHZOIDLMF-RKDXNWHRSA-N 1 0 375.223 -0.324 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000580076308 1072418661 /nfs/dbraw/zinc/41/86/61/1072418661.db2.gz FTYCDXPXMIPGFP-AWEZNQCLSA-N 1 0 388.534 -0.788 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000580076309 1072418359 /nfs/dbraw/zinc/41/83/59/1072418359.db2.gz FTYCDXPXMIPGFP-CQSZACIVSA-N 1 0 388.534 -0.788 20 0 GBADRO O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580080381 1072420095 /nfs/dbraw/zinc/42/00/95/1072420095.db2.gz XTWHYWGJOLEHHD-AWEZNQCLSA-N 1 0 384.440 -0.048 20 0 GBADRO O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580080382 1072420041 /nfs/dbraw/zinc/42/00/41/1072420041.db2.gz XTWHYWGJOLEHHD-CQSZACIVSA-N 1 0 384.440 -0.048 20 0 GBADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081889 1072419201 /nfs/dbraw/zinc/41/92/01/1072419201.db2.gz HSWWVDVNJHLOJX-INIZCTEOSA-N 1 0 381.521 -0.354 20 0 GBADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000580081890 1072419265 /nfs/dbraw/zinc/41/92/65/1072419265.db2.gz HSWWVDVNJHLOJX-MRXNPFEDSA-N 1 0 381.521 -0.354 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083347 1072419944 /nfs/dbraw/zinc/41/99/44/1072419944.db2.gz POEGGIMDHVMHKG-CYBMUJFWSA-N 1 0 377.445 -0.491 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000580083348 1072420206 /nfs/dbraw/zinc/42/02/06/1072420206.db2.gz POEGGIMDHVMHKG-ZDUSSCGKSA-N 1 0 377.445 -0.491 20 0 GBADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000580083990 530127068 /nfs/dbraw/zinc/12/70/68/530127068.db2.gz IWEGMAMHRIAZBO-UHFFFAOYSA-N 1 0 377.488 -0.126 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000580090464 1072419906 /nfs/dbraw/zinc/41/99/06/1072419906.db2.gz BOOSPUZKHKUSDN-UHFFFAOYSA-N 1 0 375.429 -0.605 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](N3CCOCC3)C1)c(=O)n2C ZINC000580090971 1072421116 /nfs/dbraw/zinc/42/11/16/1072421116.db2.gz LSFCBWJIBZZCDN-HNNXBMFYSA-N 1 0 390.488 -0.380 20 0 GBADRO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](N3CCOCC3)C1)c(=O)n2C ZINC000580090972 1072421023 /nfs/dbraw/zinc/42/10/23/1072421023.db2.gz LSFCBWJIBZZCDN-OAHLLOKOSA-N 1 0 390.488 -0.380 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2)nn1 ZINC000580096880 1072421069 /nfs/dbraw/zinc/42/10/69/1072421069.db2.gz RXFYNIQIOJNZPI-KBPBESRZSA-N 1 0 383.412 -0.809 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2)nn1 ZINC000580096881 1072420952 /nfs/dbraw/zinc/42/09/52/1072420952.db2.gz RXFYNIQIOJNZPI-KGLIPLIRSA-N 1 0 383.412 -0.809 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2)nn1 ZINC000580096882 1072421109 /nfs/dbraw/zinc/42/11/09/1072421109.db2.gz RXFYNIQIOJNZPI-UONOGXRCSA-N 1 0 383.412 -0.809 20 0 GBADRO Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2)nn1 ZINC000580096883 1072420807 /nfs/dbraw/zinc/42/08/07/1072420807.db2.gz RXFYNIQIOJNZPI-ZIAGYGMSSA-N 1 0 383.412 -0.809 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000580097883 1072421886 /nfs/dbraw/zinc/42/18/86/1072421886.db2.gz JBJNGUZKMNTHQB-DZGCQCFKSA-N 1 0 395.485 -0.610 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000580097884 1072421773 /nfs/dbraw/zinc/42/17/73/1072421773.db2.gz JBJNGUZKMNTHQB-HIFRSBDPSA-N 1 0 395.485 -0.610 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000580097885 1072421738 /nfs/dbraw/zinc/42/17/38/1072421738.db2.gz JBJNGUZKMNTHQB-UKRRQHHQSA-N 1 0 395.485 -0.610 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000580097886 1072421926 /nfs/dbraw/zinc/42/19/26/1072421926.db2.gz JBJNGUZKMNTHQB-ZFWWWQNUSA-N 1 0 395.485 -0.610 20 0 GBADRO CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2ccccc21 ZINC000580097923 1072421997 /nfs/dbraw/zinc/42/19/97/1072421997.db2.gz MYAUANXEKAKWNT-BMFZPTHFSA-N 1 0 399.451 -0.629 20 0 GBADRO CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2ccccc21 ZINC000580097924 1072421797 /nfs/dbraw/zinc/42/17/97/1072421797.db2.gz MYAUANXEKAKWNT-BPUTZDHNSA-N 1 0 399.451 -0.629 20 0 GBADRO CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c2ccccc21 ZINC000580097925 1072421723 /nfs/dbraw/zinc/42/17/23/1072421723.db2.gz MYAUANXEKAKWNT-IMJJTQAJSA-N 1 0 399.451 -0.629 20 0 GBADRO CC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2ccccc21 ZINC000580097926 1072421678 /nfs/dbraw/zinc/42/16/78/1072421678.db2.gz MYAUANXEKAKWNT-KBMXLJTQSA-N 1 0 399.451 -0.629 20 0 GBADRO Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000580097980 1072421541 /nfs/dbraw/zinc/42/15/41/1072421541.db2.gz RWRHPPVEMYMJLB-CVEARBPZSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000580097981 1072421905 /nfs/dbraw/zinc/42/19/05/1072421905.db2.gz RWRHPPVEMYMJLB-HOTGVXAUSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000580097982 1072421986 /nfs/dbraw/zinc/42/19/86/1072421986.db2.gz RWRHPPVEMYMJLB-HZPDHXFCSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(OCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000580097983 1072421560 /nfs/dbraw/zinc/42/15/60/1072421560.db2.gz RWRHPPVEMYMJLB-JKSUJKDBSA-N 1 0 388.468 -0.041 20 0 GBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000580103519 1072421576 /nfs/dbraw/zinc/42/15/76/1072421576.db2.gz KXQLYJRXHGWVJU-OAHLLOKOSA-N 1 0 388.534 -0.237 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000580104720 1072421806 /nfs/dbraw/zinc/42/18/06/1072421806.db2.gz AFLAMPZYXMOWRJ-INIZCTEOSA-N 1 0 392.456 -0.874 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000580104721 1072421856 /nfs/dbraw/zinc/42/18/56/1072421856.db2.gz AFLAMPZYXMOWRJ-MRXNPFEDSA-N 1 0 392.456 -0.874 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000580104918 1072422481 /nfs/dbraw/zinc/42/24/81/1072422481.db2.gz JZEVAVIMJLTLGW-UHFFFAOYSA-N 1 0 392.504 -0.208 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000580106263 1072422549 /nfs/dbraw/zinc/42/25/49/1072422549.db2.gz IYHKFHBGAANCER-UHFFFAOYSA-N 1 0 389.500 -0.001 20 0 GBADRO CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000580120717 1072423542 /nfs/dbraw/zinc/42/35/42/1072423542.db2.gz IOFJVSJUGVAQAP-UHFFFAOYSA-N 1 0 383.537 -0.251 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2=O)cn1 ZINC000580130568 1072424657 /nfs/dbraw/zinc/42/46/57/1072424657.db2.gz ZOSAUCIRMGUDED-HNNXBMFYSA-N 1 0 390.488 -0.168 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2=O)cn1 ZINC000580130569 1072424489 /nfs/dbraw/zinc/42/44/89/1072424489.db2.gz ZOSAUCIRMGUDED-OAHLLOKOSA-N 1 0 390.488 -0.168 20 0 GBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000580136612 1072426118 /nfs/dbraw/zinc/42/61/18/1072426118.db2.gz GFDSMQDPXBLMRS-UHFFFAOYSA-N 1 0 394.428 -0.645 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000580165145 1072430257 /nfs/dbraw/zinc/43/02/57/1072430257.db2.gz HGQJOWJBIVZBHH-KRWDZBQOSA-N 1 0 395.548 -0.058 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000580165146 1072430483 /nfs/dbraw/zinc/43/04/83/1072430483.db2.gz HGQJOWJBIVZBHH-QGZVFWFLSA-N 1 0 395.548 -0.058 20 0 GBADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)C[N@@H+]1CCO ZINC000580173854 1072432735 /nfs/dbraw/zinc/43/27/35/1072432735.db2.gz CFUWUOUTDPYLAN-QLFBSQMISA-N 1 0 391.538 -0.646 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173855 1073010102 /nfs/dbraw/zinc/01/01/02/1073010102.db2.gz CFUWUOUTDPYLAN-RBSFLKMASA-N 1 0 391.538 -0.646 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173856 1072432292 /nfs/dbraw/zinc/43/22/92/1072432292.db2.gz CFUWUOUTDPYLAN-RRFJBIMHSA-N 1 0 391.538 -0.646 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580173857 1072432504 /nfs/dbraw/zinc/43/25/04/1072432504.db2.gz CFUWUOUTDPYLAN-SOUVJXGZSA-N 1 0 391.538 -0.646 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000580173956 1072433455 /nfs/dbraw/zinc/43/34/55/1072433455.db2.gz DUTXOGRZHROQIH-UHFFFAOYSA-N 1 0 376.461 -0.667 20 0 GBADRO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000580173988 1072433524 /nfs/dbraw/zinc/43/35/24/1072433524.db2.gz JLSCVASNGLEJTK-UHFFFAOYSA-N 1 0 395.548 -0.057 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)C1CC1 ZINC000580174110 1072433231 /nfs/dbraw/zinc/43/32/31/1072433231.db2.gz FRAGKTNNIYGWON-INIZCTEOSA-N 1 0 388.468 -0.045 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)C1CC1 ZINC000580174111 1072433278 /nfs/dbraw/zinc/43/32/78/1072433278.db2.gz FRAGKTNNIYGWON-MRXNPFEDSA-N 1 0 388.468 -0.045 20 0 GBADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580174147 1072433531 /nfs/dbraw/zinc/43/35/31/1072433531.db2.gz KSBGMDXPYWXRGX-UHFFFAOYSA-N 1 0 392.456 -0.400 20 0 GBADRO O=C(C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580181624 1072433575 /nfs/dbraw/zinc/43/35/75/1072433575.db2.gz ZFNIMJKQTUJQQX-KSZLIROESA-N 1 0 390.459 -0.034 20 0 GBADRO O=C(C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580181625 1072433311 /nfs/dbraw/zinc/43/33/11/1072433311.db2.gz ZFNIMJKQTUJQQX-KURKYZTESA-N 1 0 390.459 -0.034 20 0 GBADRO O=C(C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580181626 1072433216 /nfs/dbraw/zinc/43/32/16/1072433216.db2.gz ZFNIMJKQTUJQQX-KZNAEPCWSA-N 1 0 390.459 -0.034 20 0 GBADRO O=C(C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580181627 1072433306 /nfs/dbraw/zinc/43/33/06/1072433306.db2.gz ZFNIMJKQTUJQQX-RCCFBDPRSA-N 1 0 390.459 -0.034 20 0 GBADRO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000580182016 1072434389 /nfs/dbraw/zinc/43/43/89/1072434389.db2.gz NUONLAOYMILGGE-CVEARBPZSA-N 1 0 382.505 -0.465 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000580182017 1072433902 /nfs/dbraw/zinc/43/39/02/1072433902.db2.gz NUONLAOYMILGGE-HOTGVXAUSA-N 1 0 382.505 -0.465 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)CO1 ZINC000580182018 1072434178 /nfs/dbraw/zinc/43/41/78/1072434178.db2.gz NUONLAOYMILGGE-HZPDHXFCSA-N 1 0 382.505 -0.465 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000580182019 1072434231 /nfs/dbraw/zinc/43/42/31/1072434231.db2.gz NUONLAOYMILGGE-JKSUJKDBSA-N 1 0 382.505 -0.465 20 0 GBADRO COC(=O)c1cn(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)nn1 ZINC000580186760 1072434909 /nfs/dbraw/zinc/43/49/09/1072434909.db2.gz OMGDDOXKZAOFBX-CYBMUJFWSA-N 1 0 389.412 -0.021 20 0 GBADRO COC(=O)c1cn(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)nn1 ZINC000580186761 1072435082 /nfs/dbraw/zinc/43/50/82/1072435082.db2.gz OMGDDOXKZAOFBX-ZDUSSCGKSA-N 1 0 389.412 -0.021 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(NC(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c1 ZINC000580188490 1073015069 /nfs/dbraw/zinc/01/50/69/1073015069.db2.gz VOCJLZJRLYNJAG-INIZCTEOSA-N 1 0 398.416 -0.158 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(NC(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c1 ZINC000580188491 1072434430 /nfs/dbraw/zinc/43/44/30/1072434430.db2.gz VOCJLZJRLYNJAG-MRXNPFEDSA-N 1 0 398.416 -0.158 20 0 GBADRO NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCC(=O)N1CC[NH2+]CC1 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ZINC000580251400 1072439573 /nfs/dbraw/zinc/43/95/73/1072439573.db2.gz CGOOJKNRHGXYDM-DLBZAZTESA-N 1 0 392.500 -0.296 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580251401 1072439463 /nfs/dbraw/zinc/43/94/63/1072439463.db2.gz CGOOJKNRHGXYDM-IAGOWNOFSA-N 1 0 392.500 -0.296 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580251402 1072439495 /nfs/dbraw/zinc/43/94/95/1072439495.db2.gz CGOOJKNRHGXYDM-IRXDYDNUSA-N 1 0 392.500 -0.296 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580251403 1072439530 /nfs/dbraw/zinc/43/95/30/1072439530.db2.gz CGOOJKNRHGXYDM-SJORKVTESA-N 1 0 392.500 -0.296 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580251958 1072439456 /nfs/dbraw/zinc/43/94/56/1072439456.db2.gz UURQMDOEWNVDKW-DLBZAZTESA-N 1 0 385.505 -0.008 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580251959 1072439333 /nfs/dbraw/zinc/43/93/33/1072439333.db2.gz UURQMDOEWNVDKW-IAGOWNOFSA-N 1 0 385.505 -0.008 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580251960 1072439552 /nfs/dbraw/zinc/43/95/52/1072439552.db2.gz UURQMDOEWNVDKW-IRXDYDNUSA-N 1 0 385.505 -0.008 20 0 GBADRO CCOCCOCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580251961 1072439478 /nfs/dbraw/zinc/43/94/78/1072439478.db2.gz UURQMDOEWNVDKW-SJORKVTESA-N 1 0 385.505 -0.008 20 0 GBADRO CCc1nsc(N2CCCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000580293799 1072441396 /nfs/dbraw/zinc/44/13/96/1072441396.db2.gz SLJYWFBBERPHFC-UHFFFAOYSA-N 1 0 381.506 -0.246 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000580294045 1072441233 /nfs/dbraw/zinc/44/12/33/1072441233.db2.gz OCIVVCCHEPETQE-KRWDZBQOSA-N 1 0 392.479 -0.005 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000580294046 1072441045 /nfs/dbraw/zinc/44/10/45/1072441045.db2.gz OCIVVCCHEPETQE-QGZVFWFLSA-N 1 0 392.479 -0.005 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1C ZINC000580295448 530135022 /nfs/dbraw/zinc/13/50/22/530135022.db2.gz WRQCVAYPIXHYCC-GFCCVEGCSA-N 1 0 377.488 -0.440 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1C ZINC000580295449 530135066 /nfs/dbraw/zinc/13/50/66/530135066.db2.gz WRQCVAYPIXHYCC-LBPRGKRZSA-N 1 0 377.488 -0.440 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000580300493 530134719 /nfs/dbraw/zinc/13/47/19/530134719.db2.gz URXCTBHTTAUJKZ-HNNXBMFYSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000580300494 530134843 /nfs/dbraw/zinc/13/48/43/530134843.db2.gz URXCTBHTTAUJKZ-OAHLLOKOSA-N 1 0 375.539 -0.279 20 0 GBADRO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000580304021 1072442057 /nfs/dbraw/zinc/44/20/57/1072442057.db2.gz KRLUTXVOMQUXAE-CYBMUJFWSA-N 1 0 383.470 -0.347 20 0 GBADRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000580304022 1072442222 /nfs/dbraw/zinc/44/22/22/1072442222.db2.gz KRLUTXVOMQUXAE-ZDUSSCGKSA-N 1 0 383.470 -0.347 20 0 GBADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000580304727 1072442041 /nfs/dbraw/zinc/44/20/41/1072442041.db2.gz VFUADJLXDSBOBP-HUUCEWRRSA-N 1 0 389.522 -0.403 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306851 1072442491 /nfs/dbraw/zinc/44/24/91/1072442491.db2.gz HZKGKKCUJFATKY-INIZCTEOSA-N 1 0 381.521 -0.051 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC3(CNC(=O)N3C)CC2)C1 ZINC000580306852 1072442245 /nfs/dbraw/zinc/44/22/45/1072442245.db2.gz HZKGKKCUJFATKY-MRXNPFEDSA-N 1 0 381.521 -0.051 20 0 GBADRO NC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580310357 1072443294 /nfs/dbraw/zinc/44/32/94/1072443294.db2.gz KSKCDMJGBHQIGO-LLVKDONJSA-N 1 0 385.350 -0.606 20 0 GBADRO NC(=O)c1cnn2c1nccc2C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580310358 1072443420 /nfs/dbraw/zinc/44/34/20/1072443420.db2.gz KSKCDMJGBHQIGO-NSHDSACASA-N 1 0 385.350 -0.606 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000580310705 1072442879 /nfs/dbraw/zinc/44/28/79/1072442879.db2.gz CQPQONQBAVYITN-AWEZNQCLSA-N 1 0 398.485 -0.839 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000580310706 1072442947 /nfs/dbraw/zinc/44/29/47/1072442947.db2.gz CQPQONQBAVYITN-CQSZACIVSA-N 1 0 398.485 -0.839 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c1 ZINC000580312040 1072442920 /nfs/dbraw/zinc/44/29/20/1072442920.db2.gz FBDBDJWEINAKSQ-INIZCTEOSA-N 1 0 375.473 -0.555 20 0 GBADRO COc1cccc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c1 ZINC000580312041 1072443386 /nfs/dbraw/zinc/44/33/86/1072443386.db2.gz FBDBDJWEINAKSQ-MRXNPFEDSA-N 1 0 375.473 -0.555 20 0 GBADRO Cn1cc([C@@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2[NH3+])cn1 ZINC000580315382 1072443955 /nfs/dbraw/zinc/44/39/55/1072443955.db2.gz GDGUZIWTNHMBIQ-DLBZAZTESA-N 1 0 384.488 -0.325 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000580319499 1072444086 /nfs/dbraw/zinc/44/40/86/1072444086.db2.gz NNPMABQBUKHENN-LLVKDONJSA-N 1 0 384.433 -0.440 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000580319500 1072444175 /nfs/dbraw/zinc/44/41/75/1072444175.db2.gz NNPMABQBUKHENN-NSHDSACASA-N 1 0 384.433 -0.440 20 0 GBADRO COCCCN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000580319891 1072444093 /nfs/dbraw/zinc/44/40/93/1072444093.db2.gz CQUZXQKQRNIQRC-HNNXBMFYSA-N 1 0 389.518 -0.374 20 0 GBADRO COCCCN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580319892 1072443773 /nfs/dbraw/zinc/44/37/73/1072443773.db2.gz CQUZXQKQRNIQRC-OAHLLOKOSA-N 1 0 389.518 -0.374 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000580320068 1072444604 /nfs/dbraw/zinc/44/46/04/1072444604.db2.gz MFKNSWUGFFVWOE-INIZCTEOSA-N 1 0 392.504 -0.268 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000580320069 1072444725 /nfs/dbraw/zinc/44/47/25/1072444725.db2.gz MFKNSWUGFFVWOE-MRXNPFEDSA-N 1 0 392.504 -0.268 20 0 GBADRO O=C(CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000580322573 1072444973 /nfs/dbraw/zinc/44/49/73/1072444973.db2.gz WAVKNSVBYWQHED-KRWDZBQOSA-N 1 0 393.532 -0.162 20 0 GBADRO O=C(CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000580322574 1072444839 /nfs/dbraw/zinc/44/48/39/1072444839.db2.gz WAVKNSVBYWQHED-QGZVFWFLSA-N 1 0 393.532 -0.162 20 0 GBADRO O=C(CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000580323283 1072444856 /nfs/dbraw/zinc/44/48/56/1072444856.db2.gz PPQHTPOKKVNBOA-GOSISDBHSA-N 1 0 389.412 -0.762 20 0 GBADRO O=C(CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000580323284 1072444638 /nfs/dbraw/zinc/44/46/38/1072444638.db2.gz PPQHTPOKKVNBOA-SFHVURJKSA-N 1 0 389.412 -0.762 20 0 GBADRO CS(=O)(=O)N1CCc2cc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)ccc21 ZINC000580323998 1072445174 /nfs/dbraw/zinc/44/51/74/1072445174.db2.gz UBNQIIPTBPMMDI-UHFFFAOYSA-N 1 0 391.457 -0.211 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000580327291 1072444844 /nfs/dbraw/zinc/44/48/44/1072444844.db2.gz FXMKAXOREKIYKX-DMDPSCGWSA-N 1 0 391.432 -0.388 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000580327292 1073281266 /nfs/dbraw/zinc/28/12/66/1073281266.db2.gz FXMKAXOREKIYKX-GMXVVIOVSA-N 1 0 391.432 -0.388 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000580327293 1072445066 /nfs/dbraw/zinc/44/50/66/1072445066.db2.gz FXMKAXOREKIYKX-GVXVVHGQSA-N 1 0 391.432 -0.388 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000580327294 1072445130 /nfs/dbraw/zinc/44/51/30/1072445130.db2.gz FXMKAXOREKIYKX-LOWVWBTDSA-N 1 0 391.432 -0.388 20 0 GBADRO CO[C@@H]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@@H](C[NH3+])C1 ZINC000580327930 1072444715 /nfs/dbraw/zinc/44/47/15/1072444715.db2.gz YUPAKHZNOVGFBX-CHWSQXEVSA-N 1 0 381.477 -0.594 20 0 GBADRO CO[C@H]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@@H](C[NH3+])C1 ZINC000580327931 1072445060 /nfs/dbraw/zinc/44/50/60/1072445060.db2.gz YUPAKHZNOVGFBX-OLZOCXBDSA-N 1 0 381.477 -0.594 20 0 GBADRO CO[C@@H]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@H](C[NH3+])C1 ZINC000580327934 1072444989 /nfs/dbraw/zinc/44/49/89/1072444989.db2.gz YUPAKHZNOVGFBX-QWHCGFSZSA-N 1 0 381.477 -0.594 20 0 GBADRO CO[C@H]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@H](C[NH3+])C1 ZINC000580327937 1073283297 /nfs/dbraw/zinc/28/32/97/1073283297.db2.gz YUPAKHZNOVGFBX-STQMWFEESA-N 1 0 381.477 -0.594 20 0 GBADRO CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329329 1073285571 /nfs/dbraw/zinc/28/55/71/1073285571.db2.gz TZDFMRUNBKZYDI-CABCVRRESA-N 1 0 376.457 -0.046 20 0 GBADRO CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329330 1072445666 /nfs/dbraw/zinc/44/56/66/1072445666.db2.gz TZDFMRUNBKZYDI-GJZGRUSLSA-N 1 0 376.457 -0.046 20 0 GBADRO CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000580329331 1072445378 /nfs/dbraw/zinc/44/53/78/1072445378.db2.gz TZDFMRUNBKZYDI-HUUCEWRRSA-N 1 0 376.457 -0.046 20 0 GBADRO CCNC(=O)COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580329332 1072445731 /nfs/dbraw/zinc/44/57/31/1072445731.db2.gz TZDFMRUNBKZYDI-LSDHHAIUSA-N 1 0 376.457 -0.046 20 0 GBADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580330518 1072445770 /nfs/dbraw/zinc/44/57/70/1072445770.db2.gz MCQCSAQBAQFRGH-CHWSQXEVSA-N 1 0 382.442 -0.414 20 0 GBADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580330519 1072445542 /nfs/dbraw/zinc/44/55/42/1072445542.db2.gz MCQCSAQBAQFRGH-OLZOCXBDSA-N 1 0 382.442 -0.414 20 0 GBADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580330520 1073288775 /nfs/dbraw/zinc/28/87/75/1073288775.db2.gz MCQCSAQBAQFRGH-QWHCGFSZSA-N 1 0 382.442 -0.414 20 0 GBADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580330521 1072445858 /nfs/dbraw/zinc/44/58/58/1072445858.db2.gz MCQCSAQBAQFRGH-STQMWFEESA-N 1 0 382.442 -0.414 20 0 GBADRO COCCOc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000580337960 1072447429 /nfs/dbraw/zinc/44/74/29/1072447429.db2.gz BHGWDAKYEGXDHY-INIZCTEOSA-N 1 0 378.473 -0.310 20 0 GBADRO COCCOc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000580337961 1072447527 /nfs/dbraw/zinc/44/75/27/1072447527.db2.gz BHGWDAKYEGXDHY-MRXNPFEDSA-N 1 0 378.473 -0.310 20 0 GBADRO CC[N@H+](CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C1CC1 ZINC000580338935 1072447475 /nfs/dbraw/zinc/44/74/75/1072447475.db2.gz VDEYWWPEKVFNHA-UHFFFAOYSA-N 1 0 379.461 -0.527 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C(=O)N1CCOCC1 ZINC000580339531 1072447446 /nfs/dbraw/zinc/44/74/46/1072447446.db2.gz GDBCCGXPMHMPNS-HNNXBMFYSA-N 1 0 380.489 -0.173 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C(=O)N1CCOCC1 ZINC000580339532 1072447503 /nfs/dbraw/zinc/44/75/03/1072447503.db2.gz GDBCCGXPMHMPNS-OAHLLOKOSA-N 1 0 380.489 -0.173 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000580340989 1072448517 /nfs/dbraw/zinc/44/85/17/1072448517.db2.gz ITYQWXNTSKTEDK-FHSNZYRGSA-N 1 0 381.477 -0.330 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000580340990 1072448154 /nfs/dbraw/zinc/44/81/54/1072448154.db2.gz ITYQWXNTSKTEDK-LXIYXOSZSA-N 1 0 381.477 -0.330 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000580340991 1072448454 /nfs/dbraw/zinc/44/84/54/1072448454.db2.gz ITYQWXNTSKTEDK-VBHSOAQHSA-N 1 0 381.477 -0.330 20 0 GBADRO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C(=O)NCC[NH+](C)C ZINC000580340992 1072448425 /nfs/dbraw/zinc/44/84/25/1072448425.db2.gz ITYQWXNTSKTEDK-ZJNRKIDTSA-N 1 0 381.477 -0.330 20 0 GBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCn4nncc4C3)cc21 ZINC000580343461 1072448465 /nfs/dbraw/zinc/44/84/65/1072448465.db2.gz POSAIQJFSJYDBE-UHFFFAOYSA-N 1 0 399.411 -0.272 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000580349239 1072451262 /nfs/dbraw/zinc/45/12/62/1072451262.db2.gz XCCPVNDXZANXCT-HNNXBMFYSA-N 1 0 382.509 -0.062 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000580349240 1072451211 /nfs/dbraw/zinc/45/12/11/1072451211.db2.gz XCCPVNDXZANXCT-OAHLLOKOSA-N 1 0 382.509 -0.062 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000580351099 1072452007 /nfs/dbraw/zinc/45/20/07/1072452007.db2.gz QJBXVOAJZGZDMD-HNNXBMFYSA-N 1 0 377.445 -0.845 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000580351100 1072451749 /nfs/dbraw/zinc/45/17/49/1072451749.db2.gz QJBXVOAJZGZDMD-OAHLLOKOSA-N 1 0 377.445 -0.845 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000580351812 1072451199 /nfs/dbraw/zinc/45/11/99/1072451199.db2.gz RMSURJXRFBFMDJ-UHFFFAOYSA-N 1 0 381.521 -0.495 20 0 GBADRO C[C@@H](CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCCCC1 ZINC000580353067 1072452933 /nfs/dbraw/zinc/45/29/33/1072452933.db2.gz VYKCOZCZRVWQMP-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO C[C@H](CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCCCC1 ZINC000580353068 1072452789 /nfs/dbraw/zinc/45/27/89/1072452789.db2.gz VYKCOZCZRVWQMP-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000580356924 1072452919 /nfs/dbraw/zinc/45/29/19/1072452919.db2.gz RLOHUBBIFKHSOT-HZMVEIRTSA-N 1 0 392.500 -0.250 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000580356925 1072452898 /nfs/dbraw/zinc/45/28/98/1072452898.db2.gz RLOHUBBIFKHSOT-NXOAAHMSSA-N 1 0 392.500 -0.250 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000580356926 1072453377 /nfs/dbraw/zinc/45/33/77/1072453377.db2.gz RLOHUBBIFKHSOT-TWMKSMIVSA-N 1 0 392.500 -0.250 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000580356927 1072453419 /nfs/dbraw/zinc/45/34/19/1072453419.db2.gz RLOHUBBIFKHSOT-VQHPVUNQSA-N 1 0 392.500 -0.250 20 0 GBADRO CC(C)[N@@H+]1CCCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000580357319 1072453448 /nfs/dbraw/zinc/45/34/48/1072453448.db2.gz BXMJPEODFNDJTC-SCFUHWHPSA-N 1 0 392.460 -0.642 20 0 GBADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580360964 1072453440 /nfs/dbraw/zinc/45/34/40/1072453440.db2.gz HFHZFBPIKMFNSW-HUUCEWRRSA-N 1 0 388.534 -0.093 20 0 GBADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580360968 1072453491 /nfs/dbraw/zinc/45/34/91/1072453491.db2.gz HFHZFBPIKMFNSW-LSDHHAIUSA-N 1 0 388.534 -0.093 20 0 GBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)C1 ZINC000580371402 530298085 /nfs/dbraw/zinc/29/80/85/530298085.db2.gz 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O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000580405343 1072459256 /nfs/dbraw/zinc/45/92/56/1072459256.db2.gz YGIGWKSKMANZRR-QGZVFWFLSA-N 1 0 392.500 -0.077 20 0 GBADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580409991 1072459309 /nfs/dbraw/zinc/45/93/09/1072459309.db2.gz KIJXGZUSFRZGND-UHFFFAOYSA-N 1 0 384.440 -0.118 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580411897 1072459354 /nfs/dbraw/zinc/45/93/54/1072459354.db2.gz ZHXYAQAZNBOQIB-KRWDZBQOSA-N 1 0 395.529 -0.205 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580411898 1072459387 /nfs/dbraw/zinc/45/93/87/1072459387.db2.gz ZHXYAQAZNBOQIB-QGZVFWFLSA-N 1 0 395.529 -0.205 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000580412245 1072458889 /nfs/dbraw/zinc/45/88/89/1072458889.db2.gz LVVQGWKTTARQGH-KRWDZBQOSA-N 1 0 393.463 -0.070 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000580412246 1072458920 /nfs/dbraw/zinc/45/89/20/1072458920.db2.gz LVVQGWKTTARQGH-QGZVFWFLSA-N 1 0 393.463 -0.070 20 0 GBADRO CN(CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1F ZINC000580413453 1072460196 /nfs/dbraw/zinc/46/01/96/1072460196.db2.gz ZULURBDZYFFOMB-UHFFFAOYSA-N 1 0 379.436 -0.684 20 0 GBADRO O=C(CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000580419829 1072460564 /nfs/dbraw/zinc/46/05/64/1072460564.db2.gz ISVOBKLVKXUXEF-UHFFFAOYSA-N 1 0 388.472 -0.934 20 0 GBADRO O=C(C(=O)N1CCN(C2CC2)C(=O)C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000580421567 1072460921 /nfs/dbraw/zinc/46/09/21/1072460921.db2.gz DZRFWQQKUOOATN-CABCVRRESA-N 1 0 376.457 -0.953 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000580427542 1072460714 /nfs/dbraw/zinc/46/07/14/1072460714.db2.gz CBCDNBNPTRAAHM-INIZCTEOSA-N 1 0 399.503 -0.065 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580427543 1072460998 /nfs/dbraw/zinc/46/09/98/1072460998.db2.gz CBCDNBNPTRAAHM-MRXNPFEDSA-N 1 0 399.503 -0.065 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccc(F)cc1C ZINC000580431075 1072460533 /nfs/dbraw/zinc/46/05/33/1072460533.db2.gz CHBFWANURJIAIZ-GDBMZVCRSA-N 1 0 394.447 -0.740 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccc(F)cc1C ZINC000580431076 1072460932 /nfs/dbraw/zinc/46/09/32/1072460932.db2.gz CHBFWANURJIAIZ-GOEBONIOSA-N 1 0 394.447 -0.740 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccc(F)cc1C ZINC000580431077 1072460982 /nfs/dbraw/zinc/46/09/82/1072460982.db2.gz CHBFWANURJIAIZ-HOCLYGCPSA-N 1 0 394.447 -0.740 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccc(F)cc1C ZINC000580431078 1072460619 /nfs/dbraw/zinc/46/06/19/1072460619.db2.gz CHBFWANURJIAIZ-ZBFHGGJFSA-N 1 0 394.447 -0.740 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000580432616 1072460769 /nfs/dbraw/zinc/46/07/69/1072460769.db2.gz QLSXTGGVXBXTIK-HNNXBMFYSA-N 1 0 398.533 -0.553 20 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COC(=O)CN(CCN1CCOCC1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000580442988 1072462674 /nfs/dbraw/zinc/46/26/74/1072462674.db2.gz GJFNEEZAUFCOKY-INIZCTEOSA-N 1 0 379.461 -0.245 20 0 GBADRO COC(=O)CN(CCN1CCOCC1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000580442989 1072462668 /nfs/dbraw/zinc/46/26/68/1072462668.db2.gz GJFNEEZAUFCOKY-MRXNPFEDSA-N 1 0 379.461 -0.245 20 0 GBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000580443461 1072461960 /nfs/dbraw/zinc/46/19/60/1072461960.db2.gz WDEIXJRLEPDRSZ-AWEZNQCLSA-N 1 0 382.486 -0.737 20 0 GBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000580443462 1072461904 /nfs/dbraw/zinc/46/19/04/1072461904.db2.gz WDEIXJRLEPDRSZ-CQSZACIVSA-N 1 0 382.486 -0.737 20 0 GBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000580444415 530355804 /nfs/dbraw/zinc/35/58/04/530355804.db2.gz HVNRZVNULSXIOQ-UHFFFAOYSA-N 1 0 375.472 -0.810 20 0 GBADRO Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1S(N)(=O)=O ZINC000580445924 1072462751 /nfs/dbraw/zinc/46/27/51/1072462751.db2.gz MOHWMRNAJLQTAZ-ZDUSSCGKSA-N 1 0 397.501 -0.632 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452381 1072462792 /nfs/dbraw/zinc/46/27/92/1072462792.db2.gz SBILJIAAMWKAAH-MSOLQXFVSA-N 1 0 399.495 -0.217 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452382 1072462536 /nfs/dbraw/zinc/46/25/36/1072462536.db2.gz SBILJIAAMWKAAH-QZTJIDSGSA-N 1 0 399.495 -0.217 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452383 1072462618 /nfs/dbraw/zinc/46/26/18/1072462618.db2.gz SBILJIAAMWKAAH-ROUUACIJSA-N 1 0 399.495 -0.217 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CCN2C1=O ZINC000580452384 1072462687 /nfs/dbraw/zinc/46/26/87/1072462687.db2.gz SBILJIAAMWKAAH-ZWKOTPCHSA-N 1 0 399.495 -0.217 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000580455388 1072462459 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RALQOAFGZZWPBN-BZUAXINKSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000580458486 1072463557 /nfs/dbraw/zinc/46/35/57/1072463557.db2.gz RALQOAFGZZWPBN-OAGGEKHMSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)C[NH+]1CCN(C)CC1 ZINC000580458487 1072463378 /nfs/dbraw/zinc/46/33/78/1072463378.db2.gz RALQOAFGZZWPBN-OWCLPIDISA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000580458488 1072463502 /nfs/dbraw/zinc/46/35/02/1072463502.db2.gz RALQOAFGZZWPBN-PMPSAXMXSA-N 1 0 379.505 -0.744 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000580458491 1072463417 /nfs/dbraw/zinc/46/34/17/1072463417.db2.gz RDVQNGLCOVXIKR-INIZCTEOSA-N 1 0 381.521 -0.497 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000580458492 1072463299 /nfs/dbraw/zinc/46/32/99/1072463299.db2.gz RDVQNGLCOVXIKR-MRXNPFEDSA-N 1 0 381.521 -0.497 20 0 GBADRO CCc1nsc(N2CCCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC2)n1 ZINC000580462623 1072463208 /nfs/dbraw/zinc/46/32/08/1072463208.db2.gz JYPSLJVIHLIHAC-UHFFFAOYSA-N 1 0 398.533 -0.166 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000580473268 1072465074 /nfs/dbraw/zinc/46/50/74/1072465074.db2.gz PJXFNUHHYDUUGV-UHFFFAOYSA-N 1 0 377.445 -0.940 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000580473334 1072465341 /nfs/dbraw/zinc/46/53/41/1072465341.db2.gz PVHYMWVMGCANNW-CABCVRRESA-N 1 0 380.489 -0.175 20 0 GBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000580473337 1072465442 /nfs/dbraw/zinc/46/54/42/1072465442.db2.gz PVHYMWVMGCANNW-HUUCEWRRSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C1CC1 ZINC000580476510 1072465181 /nfs/dbraw/zinc/46/51/81/1072465181.db2.gz TZGUWYBFPJXCRN-UHFFFAOYSA-N 1 0 388.472 -0.570 20 0 GBADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 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C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)ccn1 ZINC000580574051 1072473189 /nfs/dbraw/zinc/47/31/89/1072473189.db2.gz XFVMATQJCNBYQZ-UHFFFAOYSA-N 1 0 389.456 -0.529 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000580575245 1072473045 /nfs/dbraw/zinc/47/30/45/1072473045.db2.gz HWPHECQEFKUZHY-ILXRZTDVSA-N 1 0 386.518 -0.483 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000580575246 1072472766 /nfs/dbraw/zinc/47/27/66/1072472766.db2.gz HWPHECQEFKUZHY-KKUMJFAQSA-N 1 0 386.518 -0.483 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000580575247 1072473162 /nfs/dbraw/zinc/47/31/62/1072473162.db2.gz HWPHECQEFKUZHY-QLFBSQMISA-N 1 0 386.518 -0.483 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000580575248 1072473211 /nfs/dbraw/zinc/47/32/11/1072473211.db2.gz HWPHECQEFKUZHY-SOUVJXGZSA-N 1 0 386.518 -0.483 20 0 GBADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580577724 1072473978 /nfs/dbraw/zinc/47/39/78/1072473978.db2.gz PHRQNNKIHVWMSO-KRWDZBQOSA-N 1 0 389.431 -0.098 20 0 GBADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580577725 1072473988 /nfs/dbraw/zinc/47/39/88/1072473988.db2.gz PHRQNNKIHVWMSO-QGZVFWFLSA-N 1 0 389.431 -0.098 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582902 1072473924 /nfs/dbraw/zinc/47/39/24/1072473924.db2.gz WKWSLVJLZVZRFT-KBXCAEBGSA-N 1 0 378.429 -0.508 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582904 1072474239 /nfs/dbraw/zinc/47/42/39/1072474239.db2.gz WKWSLVJLZVZRFT-KDOFPFPSSA-N 1 0 378.429 -0.508 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582905 1072473912 /nfs/dbraw/zinc/47/39/12/1072473912.db2.gz WKWSLVJLZVZRFT-KSSFIOAISA-N 1 0 378.429 -0.508 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(C(N)=O)cc2)C1=O ZINC000580582906 1072473798 /nfs/dbraw/zinc/47/37/98/1072473798.db2.gz WKWSLVJLZVZRFT-RDTXWAMCSA-N 1 0 378.429 -0.508 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000580583041 1072473942 /nfs/dbraw/zinc/47/39/42/1072473942.db2.gz TXTIABZPVYBLNV-HNNXBMFYSA-N 1 0 399.517 -0.140 20 0 GBADRO CS(=O)(=O)c1nccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000580583088 1072474093 /nfs/dbraw/zinc/47/40/93/1072474093.db2.gz UMXOEAONRAOGSL-UHFFFAOYSA-N 1 0 381.458 -0.740 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000580589294 1072474650 /nfs/dbraw/zinc/47/46/50/1072474650.db2.gz WGMZLNFLWOQCBI-MSOLQXFVSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000580589295 1072474905 /nfs/dbraw/zinc/47/49/05/1072474905.db2.gz WGMZLNFLWOQCBI-QZTJIDSGSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000580589296 1072475056 /nfs/dbraw/zinc/47/50/56/1072475056.db2.gz WGMZLNFLWOQCBI-ROUUACIJSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000580589297 1072474736 /nfs/dbraw/zinc/47/47/36/1072474736.db2.gz WGMZLNFLWOQCBI-ZWKOTPCHSA-N 1 0 396.532 -0.075 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000580596045 1072475008 /nfs/dbraw/zinc/47/50/08/1072475008.db2.gz KGORYLDLCGXDRL-HNNXBMFYSA-N 1 0 392.504 -0.125 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000580596046 1072474683 /nfs/dbraw/zinc/47/46/83/1072474683.db2.gz KGORYLDLCGXDRL-OAHLLOKOSA-N 1 0 392.504 -0.125 20 0 GBADRO O=C(NCCCO[C@@H]1CCOC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000580621106 1072476575 /nfs/dbraw/zinc/47/65/75/1072476575.db2.gz ZWVUTWHATUTWDZ-DLBZAZTESA-N 1 0 383.489 -0.131 20 0 GBADRO O=C(NCCCO[C@H]1CCOC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000580621107 1072476945 /nfs/dbraw/zinc/47/69/45/1072476945.db2.gz ZWVUTWHATUTWDZ-IRXDYDNUSA-N 1 0 383.489 -0.131 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000580626658 1072476715 /nfs/dbraw/zinc/47/67/15/1072476715.db2.gz VTMHMZQNWBZRSJ-BRWVUGGUSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000580626659 1072476979 /nfs/dbraw/zinc/47/69/79/1072476979.db2.gz VTMHMZQNWBZRSJ-IKGGRYGDSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000580626660 1072476659 /nfs/dbraw/zinc/47/66/59/1072476659.db2.gz VTMHMZQNWBZRSJ-IXDOHACOSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000580626661 1072476499 /nfs/dbraw/zinc/47/64/99/1072476499.db2.gz VTMHMZQNWBZRSJ-ZACQAIPSSA-N 1 0 392.500 -0.221 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)CC2 ZINC000580630747 1072477257 /nfs/dbraw/zinc/47/72/57/1072477257.db2.gz FTFVMASDNRFVHS-AWEZNQCLSA-N 1 0 378.477 -0.152 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)CC2 ZINC000580630748 1072477289 /nfs/dbraw/zinc/47/72/89/1072477289.db2.gz FTFVMASDNRFVHS-CQSZACIVSA-N 1 0 378.477 -0.152 20 0 GBADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000580634890 1072477297 /nfs/dbraw/zinc/47/72/97/1072477297.db2.gz SPSXPKLAMFTAOY-HNNXBMFYSA-N 1 0 381.521 -0.306 20 0 GBADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000580634893 1072477423 /nfs/dbraw/zinc/47/74/23/1072477423.db2.gz SPSXPKLAMFTAOY-OAHLLOKOSA-N 1 0 381.521 -0.306 20 0 GBADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580635125 1072477547 /nfs/dbraw/zinc/47/75/47/1072477547.db2.gz VZHGEKLPGHUMBK-HUUCEWRRSA-N 1 0 388.534 -0.141 20 0 GBADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580635126 1072477568 /nfs/dbraw/zinc/47/75/68/1072477568.db2.gz VZHGEKLPGHUMBK-LSDHHAIUSA-N 1 0 388.534 -0.141 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000580638955 1072477285 /nfs/dbraw/zinc/47/72/85/1072477285.db2.gz BJODGWWLKKWFTH-GDBMZVCRSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000580638956 1072477431 /nfs/dbraw/zinc/47/74/31/1072477431.db2.gz BJODGWWLKKWFTH-GOEBONIOSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000580638957 1072477593 /nfs/dbraw/zinc/47/75/93/1072477593.db2.gz BJODGWWLKKWFTH-HOCLYGCPSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000580638958 1072477680 /nfs/dbraw/zinc/47/76/80/1072477680.db2.gz BJODGWWLKKWFTH-ZBFHGGJFSA-N 1 0 379.505 -0.615 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC[NH2+]CC2 ZINC000580642518 1072478560 /nfs/dbraw/zinc/47/85/60/1072478560.db2.gz ZCXPJWVNHPYOPF-UONOGXRCSA-N 1 0 386.518 -0.483 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC[NH2+]CC2 ZINC000580642519 1072478393 /nfs/dbraw/zinc/47/83/93/1072478393.db2.gz ZCXPJWVNHPYOPF-ZIAGYGMSSA-N 1 0 386.518 -0.483 20 0 GBADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000580643389 1072478547 /nfs/dbraw/zinc/47/85/47/1072478547.db2.gz CHAOWGQQNKXMOU-LLVKDONJSA-N 1 0 379.446 -0.644 20 0 GBADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000580643415 1072478271 /nfs/dbraw/zinc/47/82/71/1072478271.db2.gz CHAOWGQQNKXMOU-NSHDSACASA-N 1 0 379.446 -0.644 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000580647957 1072478445 /nfs/dbraw/zinc/47/84/45/1072478445.db2.gz YCYQDAYTQJFGHD-INIZCTEOSA-N 1 0 394.497 -0.326 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000580647958 1072478427 /nfs/dbraw/zinc/47/84/27/1072478427.db2.gz YCYQDAYTQJFGHD-MRXNPFEDSA-N 1 0 394.497 -0.326 20 0 GBADRO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000580659215 1072479532 /nfs/dbraw/zinc/47/95/32/1072479532.db2.gz ITWJJCUYEWEFJA-CABCVRRESA-N 1 0 387.440 -0.465 20 0 GBADRO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000580659216 1072479595 /nfs/dbraw/zinc/47/95/95/1072479595.db2.gz ITWJJCUYEWEFJA-GJZGRUSLSA-N 1 0 387.440 -0.465 20 0 GBADRO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000580659220 1072479307 /nfs/dbraw/zinc/47/93/07/1072479307.db2.gz ITWJJCUYEWEFJA-HUUCEWRRSA-N 1 0 387.440 -0.465 20 0 GBADRO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000580659222 1072479393 /nfs/dbraw/zinc/47/93/93/1072479393.db2.gz ITWJJCUYEWEFJA-LSDHHAIUSA-N 1 0 387.440 -0.465 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659312 530172600 /nfs/dbraw/zinc/17/26/00/530172600.db2.gz JFVRESOVKBJVHW-NXEZZACHSA-N 1 0 394.233 0.268 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659318 530172676 /nfs/dbraw/zinc/17/26/76/530172676.db2.gz JFVRESOVKBJVHW-UWVGGRQHSA-N 1 0 394.233 0.268 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659321 530172413 /nfs/dbraw/zinc/17/24/13/530172413.db2.gz JFVRESOVKBJVHW-VHSXEESVSA-N 1 0 394.233 0.268 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)CCN2C1=O ZINC000580659325 530172968 /nfs/dbraw/zinc/17/29/68/530172968.db2.gz JFVRESOVKBJVHW-ZJUUUORDSA-N 1 0 394.233 0.268 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1CO ZINC000580663700 1072479204 /nfs/dbraw/zinc/47/92/04/1072479204.db2.gz SPTIURRXFAWDRZ-ZBFHGGJFSA-N 1 0 375.473 -0.464 20 0 GBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000580666236 1072479028 /nfs/dbraw/zinc/47/90/28/1072479028.db2.gz IPQQZVNZJHJNOY-UHFFFAOYSA-N 1 0 390.488 -0.323 20 0 GBADRO COC(=O)C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000580669209 1072480523 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380.489 -0.186 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCO1 ZINC000580700696 1072481480 /nfs/dbraw/zinc/48/14/80/1072481480.db2.gz SYLGZRNCMYBVPD-MRXNPFEDSA-N 1 0 380.489 -0.186 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000580704554 1072482386 /nfs/dbraw/zinc/48/23/86/1072482386.db2.gz KMUALWWHBYLDKZ-KURKYZTESA-N 1 0 394.564 -0.088 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C1 ZINC000580704555 1072482325 /nfs/dbraw/zinc/48/23/25/1072482325.db2.gz KMUALWWHBYLDKZ-KZNAEPCWSA-N 1 0 394.564 -0.088 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000580704556 1072482062 /nfs/dbraw/zinc/48/20/62/1072482062.db2.gz KMUALWWHBYLDKZ-SQNIBIBYSA-N 1 0 394.564 -0.088 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000580705889 1072481967 /nfs/dbraw/zinc/48/19/67/1072481967.db2.gz BKZALSATQCIDPR-GDBMZVCRSA-N 1 0 377.489 -0.485 20 0 GBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000580705891 1072482153 /nfs/dbraw/zinc/48/21/53/1072482153.db2.gz BKZALSATQCIDPR-GOEBONIOSA-N 1 0 377.489 -0.485 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000580705894 1072482143 /nfs/dbraw/zinc/48/21/43/1072482143.db2.gz BKZALSATQCIDPR-HOCLYGCPSA-N 1 0 377.489 -0.485 20 0 GBADRO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000580705895 1072482239 /nfs/dbraw/zinc/48/22/39/1072482239.db2.gz BKZALSATQCIDPR-ZBFHGGJFSA-N 1 0 377.489 -0.485 20 0 GBADRO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580706536 1072558900 /nfs/dbraw/zinc/55/89/00/1072558900.db2.gz SLHITJPVTRRZIE-UHFFFAOYSA-N 1 0 380.832 -0.522 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCC(C)CC1 ZINC000580707338 530102576 /nfs/dbraw/zinc/10/25/76/530102576.db2.gz HEZAORCWFAGNKX-UHFFFAOYSA-N 1 0 376.523 -0.315 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000580708832 1072482398 /nfs/dbraw/zinc/48/23/98/1072482398.db2.gz GJHKYQFSCDJHKK-GXTWGEPZSA-N 1 0 381.433 -0.209 20 0 GBADRO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000580709097 1072482248 /nfs/dbraw/zinc/48/22/48/1072482248.db2.gz NRLAWEWRXAVMGP-UHFFFAOYSA-N 1 0 394.453 -0.398 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000580711941 1072482296 /nfs/dbraw/zinc/48/22/96/1072482296.db2.gz MMHYXIWTPMNOAN-AUUYWEPGSA-N 1 0 387.440 -0.384 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000580711942 1072482179 /nfs/dbraw/zinc/48/21/79/1072482179.db2.gz MMHYXIWTPMNOAN-IFXJQAMLSA-N 1 0 387.440 -0.384 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000580711943 1072482375 /nfs/dbraw/zinc/48/23/75/1072482375.db2.gz MMHYXIWTPMNOAN-KUHUBIRLSA-N 1 0 387.440 -0.384 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)NC(=O)NC1=O ZINC000580711944 1072481901 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XDCOBNWYDNFJDI-DZGCQCFKSA-N 1 0 394.447 -0.291 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Cc1ccc(OC)c(F)c1 ZINC000580715300 1072483153 /nfs/dbraw/zinc/48/31/53/1072483153.db2.gz XDCOBNWYDNFJDI-HIFRSBDPSA-N 1 0 394.447 -0.291 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Cc1ccc(OC)c(F)c1 ZINC000580715301 1072482931 /nfs/dbraw/zinc/48/29/31/1072482931.db2.gz XDCOBNWYDNFJDI-UKRRQHHQSA-N 1 0 394.447 -0.291 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Cc1ccc(OC)c(F)c1 ZINC000580715302 1072482926 /nfs/dbraw/zinc/48/29/26/1072482926.db2.gz XDCOBNWYDNFJDI-ZFWWWQNUSA-N 1 0 394.447 -0.291 20 0 GBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000580715700 1072483248 /nfs/dbraw/zinc/48/32/48/1072483248.db2.gz RCZZPSOAOZKPQI-HNNXBMFYSA-N 1 0 376.457 -0.206 20 0 GBADRO COc1ccc(C(=O)CNC(=O)CCC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000580715701 1072483187 /nfs/dbraw/zinc/48/31/87/1072483187.db2.gz RCZZPSOAOZKPQI-OAHLLOKOSA-N 1 0 376.457 -0.206 20 0 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395.548 -0.012 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000580760205 1072493193 /nfs/dbraw/zinc/49/31/93/1072493193.db2.gz LDTWEOQDNOUXQN-MRXNPFEDSA-N 1 0 395.548 -0.012 20 0 GBADRO Cc1ccc(CSCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000580764203 1072492903 /nfs/dbraw/zinc/49/29/03/1072492903.db2.gz YEVBNPBNVDULIB-UHFFFAOYSA-N 1 0 378.498 -0.108 20 0 GBADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580764390 530102473 /nfs/dbraw/zinc/10/24/73/530102473.db2.gz OOOJMOGQQRQSJC-UHFFFAOYSA-N 1 0 397.273 -0.078 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000580771461 1072492780 /nfs/dbraw/zinc/49/27/80/1072492780.db2.gz JNEOPAOLFVSBLX-UHFFFAOYSA-N 1 0 385.486 -0.004 20 0 GBADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000580773394 530102583 /nfs/dbraw/zinc/10/25/83/530102583.db2.gz MCVIGRRFVQFCAR-UHFFFAOYSA-N 1 0 389.499 -0.420 20 0 GBADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000580778216 1072494932 /nfs/dbraw/zinc/49/49/32/1072494932.db2.gz SLKQQBFAWZGXDJ-UHFFFAOYSA-N 1 0 397.545 -0.061 20 0 GBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000580778291 1072494250 /nfs/dbraw/zinc/49/42/50/1072494250.db2.gz HSSPJLMIZZGVMJ-KRWDZBQOSA-N 1 0 393.532 -0.258 20 0 GBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000580778297 1072494228 /nfs/dbraw/zinc/49/42/28/1072494228.db2.gz HSSPJLMIZZGVMJ-QGZVFWFLSA-N 1 0 393.532 -0.258 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000580779136 1072494988 /nfs/dbraw/zinc/49/49/88/1072494988.db2.gz YATFATYJDSMCGY-CYBMUJFWSA-N 1 0 398.485 -0.155 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000580779137 1072495186 /nfs/dbraw/zinc/49/51/86/1072495186.db2.gz YATFATYJDSMCGY-ZDUSSCGKSA-N 1 0 398.485 -0.155 20 0 GBADRO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000580785386 1072496036 /nfs/dbraw/zinc/49/60/36/1072496036.db2.gz 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ZINC000580910851 530103095 /nfs/dbraw/zinc/10/30/95/530103095.db2.gz IYRYCAMVOBVKIZ-UONOGXRCSA-N 1 0 376.523 -0.980 20 0 GBADRO CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)CS(=O)(=O)CC ZINC000580910852 530102868 /nfs/dbraw/zinc/10/28/68/530102868.db2.gz IYRYCAMVOBVKIZ-ZIAGYGMSSA-N 1 0 376.523 -0.980 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000580938488 1072520968 /nfs/dbraw/zinc/52/09/68/1072520968.db2.gz PQKOCKPVLMCQHV-INIZCTEOSA-N 1 0 392.500 -0.220 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000580938489 1072520192 /nfs/dbraw/zinc/52/01/92/1072520192.db2.gz PQKOCKPVLMCQHV-MRXNPFEDSA-N 1 0 392.500 -0.220 20 0 GBADRO CN1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000580941361 1072520312 /nfs/dbraw/zinc/52/03/12/1072520312.db2.gz CVWUJURXHBKEFI-INIZCTEOSA-N 1 0 376.509 -0.727 20 0 GBADRO CN1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000580941362 1072520943 /nfs/dbraw/zinc/52/09/43/1072520943.db2.gz CVWUJURXHBKEFI-MRXNPFEDSA-N 1 0 376.509 -0.727 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1([NH3+])CCCCCC1)C2 ZINC000580942238 1072521763 /nfs/dbraw/zinc/52/17/63/1072521763.db2.gz FTQBOHOGXSBRAX-UHFFFAOYSA-N 1 0 393.492 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cc(Cl)cc2c1OCC2)N1CC[NH2+]CC1 ZINC000580942596 1072521389 /nfs/dbraw/zinc/52/13/89/1072521389.db2.gz YLBRVUSFFYSKJU-UHFFFAOYSA-N 1 0 380.832 -0.561 20 0 GBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC(=O)N1C ZINC000580942602 1072521248 /nfs/dbraw/zinc/52/12/48/1072521248.db2.gz ZLXAYBBWIUOKLB-VWPFQQQWSA-N 1 0 388.472 -0.755 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000580942649 1072521281 /nfs/dbraw/zinc/52/12/81/1072521281.db2.gz GZPKXYMJRPMDAE-KRWDZBQOSA-N 1 0 388.468 -0.605 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000580942650 1072521629 /nfs/dbraw/zinc/52/16/29/1072521629.db2.gz GZPKXYMJRPMDAE-QGZVFWFLSA-N 1 0 388.468 -0.605 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000580944190 1072521686 /nfs/dbraw/zinc/52/16/86/1072521686.db2.gz RESKAVDVFDWEAA-IKGGRYGDSA-N 1 0 393.532 -0.354 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000580944191 1072521317 /nfs/dbraw/zinc/52/13/17/1072521317.db2.gz RESKAVDVFDWEAA-IXDOHACOSA-N 1 0 393.532 -0.354 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000580950038 1072523497 /nfs/dbraw/zinc/52/34/97/1072523497.db2.gz GHEOIGMRWROAPI-INIZCTEOSA-N 1 0 394.447 -0.020 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000580950044 1072523115 /nfs/dbraw/zinc/52/31/15/1072523115.db2.gz GHEOIGMRWROAPI-MRXNPFEDSA-N 1 0 394.447 -0.020 20 0 GBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)CC[NH3+])c1OC ZINC000580951326 1072523087 /nfs/dbraw/zinc/52/30/87/1072523087.db2.gz LCZFPZOURORQEY-UHFFFAOYSA-N 1 0 387.458 -0.245 20 0 GBADRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000580952293 1072523563 /nfs/dbraw/zinc/52/35/63/1072523563.db2.gz VFLRMWWPTSRLIT-KRWDZBQOSA-N 1 0 394.497 -0.405 20 0 GBADRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000580952294 1072523190 /nfs/dbraw/zinc/52/31/90/1072523190.db2.gz VFLRMWWPTSRLIT-QGZVFWFLSA-N 1 0 394.497 -0.405 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000580952339 1072524141 /nfs/dbraw/zinc/52/41/41/1072524141.db2.gz AJPNNDWFLQOHGP-CYBMUJFWSA-N 1 0 381.454 -0.452 20 0 GBADRO C[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000580952341 1072523990 /nfs/dbraw/zinc/52/39/90/1072523990.db2.gz AJPNNDWFLQOHGP-ZDUSSCGKSA-N 1 0 381.454 -0.452 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000580956236 1072525302 /nfs/dbraw/zinc/52/53/02/1072525302.db2.gz ZDFSNCYBWLKGBM-KRWDZBQOSA-N 1 0 389.500 -0.210 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)cc1)N1CC[NH+](C)CC1 ZINC000580956238 1072525142 /nfs/dbraw/zinc/52/51/42/1072525142.db2.gz ZDFSNCYBWLKGBM-QGZVFWFLSA-N 1 0 389.500 -0.210 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000580957991 1072525358 /nfs/dbraw/zinc/52/53/58/1072525358.db2.gz UBKZWLLQMSVUPM-KRWDZBQOSA-N 1 0 391.516 -0.417 20 0 GBADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC1 ZINC000580957995 1072525057 /nfs/dbraw/zinc/52/50/57/1072525057.db2.gz UBKZWLLQMSVUPM-QGZVFWFLSA-N 1 0 391.516 -0.417 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000580960594 1072524931 /nfs/dbraw/zinc/52/49/31/1072524931.db2.gz SFFXGHLLSCLAAR-UHFFFAOYSA-N 1 0 378.477 -0.939 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580962607 530102923 /nfs/dbraw/zinc/10/29/23/530102923.db2.gz GNCWFSHFPFWMLS-KBPBESRZSA-N 1 0 376.523 -0.079 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580962613 530103214 /nfs/dbraw/zinc/10/32/14/530103214.db2.gz GNCWFSHFPFWMLS-OKILXGFUSA-N 1 0 376.523 -0.079 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000580962615 530103131 /nfs/dbraw/zinc/10/31/31/530103131.db2.gz GNCWFSHFPFWMLS-ZIAGYGMSSA-N 1 0 376.523 -0.079 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(F)(F)F ZINC000580963155 530103223 /nfs/dbraw/zinc/10/32/23/530103223.db2.gz WBGRJWGTCMEEAS-LLVKDONJSA-N 1 0 385.412 -0.003 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(F)(F)F ZINC000580963158 530103141 /nfs/dbraw/zinc/10/31/41/530103141.db2.gz WBGRJWGTCMEEAS-NSHDSACASA-N 1 0 385.412 -0.003 20 0 GBADRO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580963693 1072526342 /nfs/dbraw/zinc/52/63/42/1072526342.db2.gz RJCPNNWSWOEWOZ-QGPMSJSTSA-N 1 0 383.452 -0.015 20 0 GBADRO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580963695 1072525866 /nfs/dbraw/zinc/52/58/66/1072525866.db2.gz RJCPNNWSWOEWOZ-QILLFSRXSA-N 1 0 383.452 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-0.086 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1 ZINC000580964338 1072525941 /nfs/dbraw/zinc/52/59/41/1072525941.db2.gz ZTSHEMYFMXONFG-ZNMIVQPWSA-N 1 0 394.859 -0.086 20 0 GBADRO COC(=O)c1cn(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC000580967885 1072527179 /nfs/dbraw/zinc/52/71/79/1072527179.db2.gz ODHZAWXKPQRNEJ-CYBMUJFWSA-N 1 0 380.449 -0.135 20 0 GBADRO COC(=O)c1cn(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC000580967887 1072527754 /nfs/dbraw/zinc/52/77/54/1072527754.db2.gz ODHZAWXKPQRNEJ-ZDUSSCGKSA-N 1 0 380.449 -0.135 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C(=O)N1CCOCC1 ZINC000580972775 1072529121 /nfs/dbraw/zinc/52/91/21/1072529121.db2.gz DMZMWHMBTQHEQC-CVEARBPZSA-N 1 0 380.489 -0.316 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)N1CCOCC1 ZINC000580972776 1072528857 /nfs/dbraw/zinc/52/88/57/1072528857.db2.gz DMZMWHMBTQHEQC-HOTGVXAUSA-N 1 0 380.489 -0.316 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C(=O)N1CCOCC1 ZINC000580972777 1072529146 /nfs/dbraw/zinc/52/91/46/1072529146.db2.gz DMZMWHMBTQHEQC-HZPDHXFCSA-N 1 0 380.489 -0.316 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)N1CCOCC1 ZINC000580972778 1072529111 /nfs/dbraw/zinc/52/91/11/1072529111.db2.gz DMZMWHMBTQHEQC-JKSUJKDBSA-N 1 0 380.489 -0.316 20 0 GBADRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000580978027 1072528801 /nfs/dbraw/zinc/52/88/01/1072528801.db2.gz XKDBMLWMLKULJZ-HZSPNIEDSA-N 1 0 376.461 -0.072 20 0 GBADRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000580978028 1072528936 /nfs/dbraw/zinc/52/89/36/1072528936.db2.gz XKDBMLWMLKULJZ-IHRRRGAJSA-N 1 0 376.461 -0.072 20 0 GBADRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000580978032 1072528715 /nfs/dbraw/zinc/52/87/15/1072528715.db2.gz XKDBMLWMLKULJZ-MELADBBJSA-N 1 0 376.461 -0.072 20 0 GBADRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000580978033 1072528201 /nfs/dbraw/zinc/52/82/01/1072528201.db2.gz XKDBMLWMLKULJZ-RDBSUJKOSA-N 1 0 376.461 -0.072 20 0 GBADRO CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000580983988 1072528258 /nfs/dbraw/zinc/52/82/58/1072528258.db2.gz DDXQIBZSTKVPAX-INIZCTEOSA-N 1 0 389.566 -0.209 20 0 GBADRO CC[NH+]1CCN(CCC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000580983992 1072528581 /nfs/dbraw/zinc/52/85/81/1072528581.db2.gz DDXQIBZSTKVPAX-MRXNPFEDSA-N 1 0 389.566 -0.209 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1C ZINC000580984841 1072528915 /nfs/dbraw/zinc/52/89/15/1072528915.db2.gz JBSRVRXWHPGSDC-INIZCTEOSA-N 1 0 384.458 -0.976 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1C ZINC000580984842 1072528983 /nfs/dbraw/zinc/52/89/83/1072528983.db2.gz JBSRVRXWHPGSDC-MRXNPFEDSA-N 1 0 384.458 -0.976 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000580986680 1072529912 /nfs/dbraw/zinc/52/99/12/1072529912.db2.gz SNEUGQOSLQCSAK-UHFFFAOYSA-N 1 0 394.497 -0.140 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000581000496 1072531154 /nfs/dbraw/zinc/53/11/54/1072531154.db2.gz SANZPGBOYKEBLD-HNNXBMFYSA-N 1 0 387.488 -0.265 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000581000497 1072531207 /nfs/dbraw/zinc/53/12/07/1072531207.db2.gz SANZPGBOYKEBLD-OAHLLOKOSA-N 1 0 387.488 -0.265 20 0 GBADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000581001027 1072530683 /nfs/dbraw/zinc/53/06/83/1072530683.db2.gz VLILCXBDAUYABX-UHFFFAOYSA-N 1 0 397.501 -0.396 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)[C@H](C[NH3+])C1 ZINC000581001387 1072530707 /nfs/dbraw/zinc/53/07/07/1072530707.db2.gz ROYWAARWXSHBTH-GOSISDBHSA-N 1 0 389.500 -0.764 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000581001389 1072531133 /nfs/dbraw/zinc/53/11/33/1072531133.db2.gz 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ALQKKTRXGYXUID-ZDUSSCGKSA-N 1 0 397.501 -0.113 20 0 GBADRO Cn1c2ncn(CCN(CC[NH+](C)C)Cc3ccccn3)c2c(=O)n(C)c1=O ZINC000581019374 1072532097 /nfs/dbraw/zinc/53/20/97/1072532097.db2.gz CYMLQACIGGECEN-UHFFFAOYSA-N 1 0 385.472 -0.108 20 0 GBADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000581020811 1072530466 /nfs/dbraw/zinc/53/04/66/1072530466.db2.gz JURWSJZRIVXEMW-GFCCVEGCSA-N 1 0 388.465 -0.323 20 0 GBADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)NCC[NH+](C)C ZINC000581020821 1072531338 /nfs/dbraw/zinc/53/13/38/1072531338.db2.gz JURWSJZRIVXEMW-LBPRGKRZSA-N 1 0 388.465 -0.323 20 0 GBADRO CCN1CCCN(C(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)CC1=O ZINC000581023549 1072531770 /nfs/dbraw/zinc/53/17/70/1072531770.db2.gz RJQYLJCPTZZBCC-UHFFFAOYSA-N 1 0 395.504 -0.826 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(C(=O)N(C)C)CC2)CC1 ZINC000581023562 1072531963 /nfs/dbraw/zinc/53/19/63/1072531963.db2.gz RQBQPMDPOBJFTF-UHFFFAOYSA-N 1 0 382.509 -0.014 20 0 GBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000581037684 1072532157 /nfs/dbraw/zinc/53/21/57/1072532157.db2.gz DOOYFSRJBUVNFP-OAHLLOKOSA-N 1 0 388.534 -0.141 20 0 GBADRO Cn1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000581050689 1072534118 /nfs/dbraw/zinc/53/41/18/1072534118.db2.gz LYJFDKAYRUZLEH-UHFFFAOYSA-N 1 0 390.488 -0.669 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000581057812 1072534078 /nfs/dbraw/zinc/53/40/78/1072534078.db2.gz CGWYSGOSYYQHNA-DLBZAZTESA-N 1 0 391.516 -0.552 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000581057813 1072533849 /nfs/dbraw/zinc/53/38/49/1072533849.db2.gz CGWYSGOSYYQHNA-IAGOWNOFSA-N 1 0 391.516 -0.552 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000581057814 1072533765 /nfs/dbraw/zinc/53/37/65/1072533765.db2.gz CGWYSGOSYYQHNA-IRXDYDNUSA-N 1 0 391.516 -0.552 20 0 GBADRO 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380.449 -0.418 20 0 GBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000581090890 530103150 /nfs/dbraw/zinc/10/31/50/530103150.db2.gz HLZPSAROYPTQBA-CQSZACIVSA-N 1 0 377.511 -0.721 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCC(CCO)CC2)CC1 ZINC000581117419 1072538813 /nfs/dbraw/zinc/53/88/13/1072538813.db2.gz CIKYGSYJLURXKI-UHFFFAOYSA-N 1 0 380.489 -0.626 20 0 GBADRO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@@H]3C[NH2+]CCN3C)C2)cc1 ZINC000581121423 1072538876 /nfs/dbraw/zinc/53/88/76/1072538876.db2.gz SDISIYYVPLKULR-HNNXBMFYSA-N 1 0 381.502 -0.429 20 0 GBADRO Cc1ccc(S(=O)(=O)NC2CN(C(=O)NC[C@H]3C[NH2+]CCN3C)C2)cc1 ZINC000581121424 1072538718 /nfs/dbraw/zinc/53/87/18/1072538718.db2.gz SDISIYYVPLKULR-OAHLLOKOSA-N 1 0 381.502 -0.429 20 0 GBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000581125999 1072539486 /nfs/dbraw/zinc/53/94/86/1072539486.db2.gz VQNFMKXXWMECDJ-IKGGRYGDSA-N 1 0 391.516 -0.506 20 0 GBADRO 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C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581129721 1072539624 /nfs/dbraw/zinc/53/96/24/1072539624.db2.gz AYXONISRNFSYKT-DLBZAZTESA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581129722 1072539842 /nfs/dbraw/zinc/53/98/42/1072539842.db2.gz AYXONISRNFSYKT-IAGOWNOFSA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581129723 1072539101 /nfs/dbraw/zinc/53/91/01/1072539101.db2.gz AYXONISRNFSYKT-IRXDYDNUSA-N 1 0 388.516 -0.033 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581129724 1072539231 /nfs/dbraw/zinc/53/92/31/1072539231.db2.gz AYXONISRNFSYKT-SJORKVTESA-N 1 0 388.516 -0.033 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142219 1072541589 /nfs/dbraw/zinc/54/15/89/1072541589.db2.gz JPXPNDIHENFTQA-CHWSQXEVSA-N 1 0 389.412 -0.650 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142231 1072541519 /nfs/dbraw/zinc/54/15/19/1072541519.db2.gz JPXPNDIHENFTQA-OLZOCXBDSA-N 1 0 389.412 -0.650 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142232 1072541648 /nfs/dbraw/zinc/54/16/48/1072541648.db2.gz JPXPNDIHENFTQA-QWHCGFSZSA-N 1 0 389.412 -0.650 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CCN2C1=O ZINC000581142233 1072541309 /nfs/dbraw/zinc/54/13/09/1072541309.db2.gz JPXPNDIHENFTQA-STQMWFEESA-N 1 0 389.412 -0.650 20 0 GBADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000581142921 1072541896 /nfs/dbraw/zinc/54/18/96/1072541896.db2.gz JIEYWYZPTKKQKZ-CABCVRRESA-N 1 0 388.424 -0.499 20 0 GBADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000581142924 1072541601 /nfs/dbraw/zinc/54/16/01/1072541601.db2.gz JIEYWYZPTKKQKZ-GJZGRUSLSA-N 1 0 388.424 -0.499 20 0 GBADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000581142925 1072541622 /nfs/dbraw/zinc/54/16/22/1072541622.db2.gz JIEYWYZPTKKQKZ-HUUCEWRRSA-N 1 0 388.424 -0.499 20 0 GBADRO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000581142926 1072541925 /nfs/dbraw/zinc/54/19/25/1072541925.db2.gz JIEYWYZPTKKQKZ-LSDHHAIUSA-N 1 0 388.424 -0.499 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143451 1072541570 /nfs/dbraw/zinc/54/15/70/1072541570.db2.gz PHDQNCCXISDHNR-CMPLNLGQSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143462 1072541821 /nfs/dbraw/zinc/54/18/21/1072541821.db2.gz PHDQNCCXISDHNR-JQWIXIFHSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143467 1072541751 /nfs/dbraw/zinc/54/17/51/1072541751.db2.gz PHDQNCCXISDHNR-PWSUYJOCSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ncccc3Cl)CCN2C1=O ZINC000581143468 1072541468 /nfs/dbraw/zinc/54/14/68/1072541468.db2.gz PHDQNCCXISDHNR-ZYHUDNBSSA-N 1 0 381.820 -1.000 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1(C)C ZINC000581144083 1072541611 /nfs/dbraw/zinc/54/16/11/1072541611.db2.gz ANPFTRVKFJOIFL-UHFFFAOYSA-N 1 0 393.532 -0.401 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000581150833 530103597 /nfs/dbraw/zinc/10/35/97/530103597.db2.gz IHLVTXGLNXKIQR-CHWSQXEVSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000581150834 530103469 /nfs/dbraw/zinc/10/34/69/530103469.db2.gz IHLVTXGLNXKIQR-OLZOCXBDSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000581150835 530103508 /nfs/dbraw/zinc/10/35/08/530103508.db2.gz IHLVTXGLNXKIQR-QWHCGFSZSA-N 1 0 376.523 -0.381 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000581150836 530103492 /nfs/dbraw/zinc/10/34/92/530103492.db2.gz IHLVTXGLNXKIQR-STQMWFEESA-N 1 0 376.523 -0.381 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000581151450 1072542661 /nfs/dbraw/zinc/54/26/61/1072542661.db2.gz DFCKGMDSWQBMID-INIZCTEOSA-N 1 0 382.505 -0.070 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000581151453 1072542829 /nfs/dbraw/zinc/54/28/29/1072542829.db2.gz DFCKGMDSWQBMID-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000581152406 1072541810 /nfs/dbraw/zinc/54/18/10/1072541810.db2.gz XQAXKYFTWFFYGZ-CVEARBPZSA-N 1 0 382.505 -0.022 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000581154475 1072542370 /nfs/dbraw/zinc/54/23/70/1072542370.db2.gz IIGHCUJAKUIQQT-HNNXBMFYSA-N 1 0 382.486 -0.121 20 0 GBADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000581154478 1072542732 /nfs/dbraw/zinc/54/27/32/1072542732.db2.gz IIGHCUJAKUIQQT-OAHLLOKOSA-N 1 0 382.486 -0.121 20 0 GBADRO CCOC1CC(CNC(=O)C(=O)N2CCC[N@H+](CC)CC2)(N2CCOCC2)C1 ZINC000581159822 1072542456 /nfs/dbraw/zinc/54/24/56/1072542456.db2.gz WUEBWUOUJDSAIT-UHFFFAOYSA-N 1 0 396.532 -0.073 20 0 GBADRO O=C(CN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1)NC1CCCCC1 ZINC000581180957 1072544669 /nfs/dbraw/zinc/54/46/69/1072544669.db2.gz CDSILRDTIILOIY-UHFFFAOYSA-N 1 0 380.537 -0.332 20 0 GBADRO Cc1nnc(N(C)S(=O)(=O)CCCCS(=O)(=O)NCC[NH+](C)C)s1 ZINC000581182182 530103605 /nfs/dbraw/zinc/10/36/05/530103605.db2.gz BKPZMNHZZBVODN-UHFFFAOYSA-N 1 0 399.564 -0.126 20 0 GBADRO O=S(=O)(c1ccc2nnn(OCC[C@H]3CC[NH2+]C3)c2c1)N1CCOCC1 ZINC000581185638 1072544382 /nfs/dbraw/zinc/54/43/82/1072544382.db2.gz ABSKHNOTRPNPPO-CYBMUJFWSA-N 1 0 381.458 -0.120 20 0 GBADRO O=S(=O)(c1ccc2nnn(OCC[C@@H]3CC[NH2+]C3)c2c1)N1CCOCC1 ZINC000581185642 1072544713 /nfs/dbraw/zinc/54/47/13/1072544713.db2.gz ABSKHNOTRPNPPO-ZDUSSCGKSA-N 1 0 381.458 -0.120 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000581188902 1072545406 /nfs/dbraw/zinc/54/54/06/1072545406.db2.gz LEEGVWZBHVZMBE-INIZCTEOSA-N 1 0 380.426 -0.297 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)cc1 ZINC000581188903 1072545630 /nfs/dbraw/zinc/54/56/30/1072545630.db2.gz LEEGVWZBHVZMBE-MRXNPFEDSA-N 1 0 380.426 -0.297 20 0 GBADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000581189791 1072545643 /nfs/dbraw/zinc/54/56/43/1072545643.db2.gz LOBDZXRQYKOWFV-UHFFFAOYSA-N 1 0 391.457 -0.877 20 0 GBADRO CC(C)O[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000581190356 1072545446 /nfs/dbraw/zinc/54/54/46/1072545446.db2.gz XTUUNJATZZALBX-OAHLLOKOSA-N 1 0 394.476 -0.475 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190632 1072545652 /nfs/dbraw/zinc/54/56/52/1072545652.db2.gz UNEOCSPNRZQGOV-BBRMVZONSA-N 1 0 387.440 -0.359 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190633 1072545332 /nfs/dbraw/zinc/54/53/32/1072545332.db2.gz UNEOCSPNRZQGOV-CJNGLKHVSA-N 1 0 387.440 -0.359 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190634 1072545306 /nfs/dbraw/zinc/54/53/06/1072545306.db2.gz UNEOCSPNRZQGOV-CZUORRHYSA-N 1 0 387.440 -0.359 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000581190635 1072545220 /nfs/dbraw/zinc/54/52/20/1072545220.db2.gz UNEOCSPNRZQGOV-XJKSGUPXSA-N 1 0 387.440 -0.359 20 0 GBADRO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000581191009 1072545716 /nfs/dbraw/zinc/54/57/16/1072545716.db2.gz HORNXKXIDHONFK-KBPBESRZSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000581191010 1072545692 /nfs/dbraw/zinc/54/56/92/1072545692.db2.gz HORNXKXIDHONFK-KGLIPLIRSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000581191011 1072545209 /nfs/dbraw/zinc/54/52/09/1072545209.db2.gz HORNXKXIDHONFK-UONOGXRCSA-N 1 0 395.504 -0.652 20 0 GBADRO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000581191012 1072545751 /nfs/dbraw/zinc/54/57/51/1072545751.db2.gz HORNXKXIDHONFK-ZIAGYGMSSA-N 1 0 395.504 -0.652 20 0 GBADRO CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000581192568 1072545701 /nfs/dbraw/zinc/54/57/01/1072545701.db2.gz RWIRTDWXYDGUSS-UHFFFAOYSA-N 1 0 396.513 -0.255 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH2+]CCOC)CC2)cc1 ZINC000581195083 530103586 /nfs/dbraw/zinc/10/35/86/530103586.db2.gz IFFGGXIEWBUHRI-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000581199495 1072546959 /nfs/dbraw/zinc/54/69/59/1072546959.db2.gz JCMURJMMZCEHRX-HNNXBMFYSA-N 1 0 395.485 -0.538 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000581199500 1072546573 /nfs/dbraw/zinc/54/65/73/1072546573.db2.gz JCMURJMMZCEHRX-OAHLLOKOSA-N 1 0 395.485 -0.538 20 0 GBADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581202928 1072545673 /nfs/dbraw/zinc/54/56/73/1072545673.db2.gz ZFUROABZEBVDGN-KBPBESRZSA-N 1 0 384.440 -0.769 20 0 GBADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581202929 1072545124 /nfs/dbraw/zinc/54/51/24/1072545124.db2.gz ZFUROABZEBVDGN-KGLIPLIRSA-N 1 0 384.440 -0.769 20 0 GBADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581202930 1072545796 /nfs/dbraw/zinc/54/57/96/1072545796.db2.gz ZFUROABZEBVDGN-UONOGXRCSA-N 1 0 384.440 -0.769 20 0 GBADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581202931 1072546203 /nfs/dbraw/zinc/54/62/03/1072546203.db2.gz ZFUROABZEBVDGN-ZIAGYGMSSA-N 1 0 384.440 -0.769 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CC[NH+](C)CC1 ZINC000581204834 1072546409 /nfs/dbraw/zinc/54/64/09/1072546409.db2.gz CBLIDJHFEPALNQ-DOTOQJQBSA-N 1 0 376.505 -0.229 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CC[NH+](C)CC1 ZINC000581204835 1072546707 /nfs/dbraw/zinc/54/67/07/1072546707.db2.gz CBLIDJHFEPALNQ-NVXWUHKLSA-N 1 0 376.505 -0.229 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CC[NH+](C)CC1 ZINC000581204836 1072546358 /nfs/dbraw/zinc/54/63/58/1072546358.db2.gz CBLIDJHFEPALNQ-RDJZCZTQSA-N 1 0 376.505 -0.229 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CC[NH+](C)CC1 ZINC000581204838 1072546653 /nfs/dbraw/zinc/54/66/53/1072546653.db2.gz CBLIDJHFEPALNQ-WBVHZDCISA-N 1 0 376.505 -0.229 20 0 GBADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(-n2ccnn2)cc1 ZINC000581208993 1072546890 /nfs/dbraw/zinc/54/68/90/1072546890.db2.gz CNDZMEKIVBGZFB-PBHICJAKSA-N 1 0 385.472 -0.194 20 0 GBADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(-n2ccnn2)cc1 ZINC000581208994 1072546154 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389.378 -0.260 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1CCCCC1=O ZINC000581301921 1072561168 /nfs/dbraw/zinc/56/11/68/1072561168.db2.gz LPYOXJJSLYLRAA-UHFFFAOYSA-N 1 0 381.521 -0.399 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000581302779 1072561771 /nfs/dbraw/zinc/56/17/71/1072561771.db2.gz NDBJAGOFRIYWGE-BBWFWOEESA-N 1 0 392.500 -0.175 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000581302780 1072561205 /nfs/dbraw/zinc/56/12/05/1072561205.db2.gz NDBJAGOFRIYWGE-BRWVUGGUSA-N 1 0 392.500 -0.175 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000581302781 1072561580 /nfs/dbraw/zinc/56/15/80/1072561580.db2.gz NDBJAGOFRIYWGE-GVDBMIGSSA-N 1 0 392.500 -0.175 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000581302782 1072561387 /nfs/dbraw/zinc/56/13/87/1072561387.db2.gz NDBJAGOFRIYWGE-ZACQAIPSSA-N 1 0 392.500 -0.175 20 0 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CN1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000581308265 1072563368 /nfs/dbraw/zinc/56/33/68/1072563368.db2.gz DUFHGPZFOOIKQN-QGZVFWFLSA-N 1 0 393.532 -0.353 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000581309635 1072562650 /nfs/dbraw/zinc/56/26/50/1072562650.db2.gz GBTOQIOTARMARU-NFOMZHRRSA-N 1 0 398.533 -0.581 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000581309636 1072562537 /nfs/dbraw/zinc/56/25/37/1072562537.db2.gz GBTOQIOTARMARU-WLYUNCDWSA-N 1 0 398.533 -0.581 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000581311512 1072564538 /nfs/dbraw/zinc/56/45/38/1072564538.db2.gz NDPPLNPSLQUWSY-CVEARBPZSA-N 1 0 396.513 -0.223 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000581311513 1072564477 /nfs/dbraw/zinc/56/44/77/1072564477.db2.gz NDPPLNPSLQUWSY-HOTGVXAUSA-N 1 0 396.513 -0.223 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000581311514 1072564526 /nfs/dbraw/zinc/56/45/26/1072564526.db2.gz NDPPLNPSLQUWSY-HZPDHXFCSA-N 1 0 396.513 -0.223 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000581311515 1072564277 /nfs/dbraw/zinc/56/42/77/1072564277.db2.gz NDPPLNPSLQUWSY-JKSUJKDBSA-N 1 0 396.513 -0.223 20 0 GBADRO CN1C[C@@H]([NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CCC1=O ZINC000581318194 1072565433 /nfs/dbraw/zinc/56/54/33/1072565433.db2.gz FVTIQPQWQBCHJB-GWCFXTLKSA-N 1 0 380.426 -0.824 20 0 GBADRO CN1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CCC1=O ZINC000581318195 1072565533 /nfs/dbraw/zinc/56/55/33/1072565533.db2.gz FVTIQPQWQBCHJB-GXFFZTMASA-N 1 0 380.426 -0.824 20 0 GBADRO CN1C[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CCC1=O ZINC000581318196 1072565567 /nfs/dbraw/zinc/56/55/67/1072565567.db2.gz FVTIQPQWQBCHJB-MFKMUULPSA-N 1 0 380.426 -0.824 20 0 GBADRO CN1C[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CCC1=O ZINC000581318197 1072564800 /nfs/dbraw/zinc/56/48/00/1072564800.db2.gz FVTIQPQWQBCHJB-ZWNOBZJWSA-N 1 0 380.426 -0.824 20 0 GBADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000581321257 1072565618 /nfs/dbraw/zinc/56/56/18/1072565618.db2.gz DGDIOWADJCOPPS-DZGCQCFKSA-N 1 0 380.470 -0.289 20 0 GBADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000581321258 1072565140 /nfs/dbraw/zinc/56/51/40/1072565140.db2.gz DGDIOWADJCOPPS-HIFRSBDPSA-N 1 0 380.470 -0.289 20 0 GBADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000581321259 1072565604 /nfs/dbraw/zinc/56/56/04/1072565604.db2.gz DGDIOWADJCOPPS-UKRRQHHQSA-N 1 0 380.470 -0.289 20 0 GBADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000581321260 1072565558 /nfs/dbraw/zinc/56/55/58/1072565558.db2.gz DGDIOWADJCOPPS-ZFWWWQNUSA-N 1 0 380.470 -0.289 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321759 1072565125 /nfs/dbraw/zinc/56/51/25/1072565125.db2.gz YAICMBIGNOJROV-ARFHVFGLSA-N 1 0 398.529 -0.259 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321760 1072565515 /nfs/dbraw/zinc/56/55/15/1072565515.db2.gz YAICMBIGNOJROV-BZUAXINKSA-N 1 0 398.529 -0.259 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321761 1072565306 /nfs/dbraw/zinc/56/53/06/1072565306.db2.gz YAICMBIGNOJROV-HRCADAONSA-N 1 0 398.529 -0.259 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CCN2C1=O ZINC000581321762 1072564888 /nfs/dbraw/zinc/56/48/88/1072564888.db2.gz YAICMBIGNOJROV-OWCLPIDISA-N 1 0 398.529 -0.259 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000581321909 530103572 /nfs/dbraw/zinc/10/35/72/530103572.db2.gz CHCRRYCHCSAOOG-KBPBESRZSA-N 1 0 380.536 -0.870 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000581321910 530103335 /nfs/dbraw/zinc/10/33/35/530103335.db2.gz CHCRRYCHCSAOOG-KGLIPLIRSA-N 1 0 380.536 -0.870 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000581321911 530103477 /nfs/dbraw/zinc/10/34/77/530103477.db2.gz CHCRRYCHCSAOOG-UONOGXRCSA-N 1 0 380.536 -0.870 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000581321912 530103366 /nfs/dbraw/zinc/10/33/66/530103366.db2.gz CHCRRYCHCSAOOG-ZIAGYGMSSA-N 1 0 380.536 -0.870 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)S(N)(=O)=O ZINC000581321934 1072565576 /nfs/dbraw/zinc/56/55/76/1072565576.db2.gz DHQDDCUYNGHDJR-GDBMZVCRSA-N 1 0 396.513 -0.445 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)S(N)(=O)=O ZINC000581321935 1072565497 /nfs/dbraw/zinc/56/54/97/1072565497.db2.gz DHQDDCUYNGHDJR-GOEBONIOSA-N 1 0 396.513 -0.445 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)S(N)(=O)=O ZINC000581321936 1072565365 /nfs/dbraw/zinc/56/53/65/1072565365.db2.gz DHQDDCUYNGHDJR-HOCLYGCPSA-N 1 0 396.513 -0.445 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)S(N)(=O)=O ZINC000581321937 1072564860 /nfs/dbraw/zinc/56/48/60/1072564860.db2.gz DHQDDCUYNGHDJR-ZBFHGGJFSA-N 1 0 396.513 -0.445 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Oc1ccccc1F ZINC000581321991 1072565337 /nfs/dbraw/zinc/56/53/37/1072565337.db2.gz FXNHNOFVOIVYME-BZPMIXESSA-N 1 0 378.404 -0.520 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Oc1ccccc1F ZINC000581321992 1072564978 /nfs/dbraw/zinc/56/49/78/1072564978.db2.gz FXNHNOFVOIVYME-DYEKYZERSA-N 1 0 378.404 -0.520 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Oc1ccccc1F ZINC000581321993 1072565645 /nfs/dbraw/zinc/56/56/45/1072565645.db2.gz FXNHNOFVOIVYME-MBNYWOFBSA-N 1 0 378.404 -0.520 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Oc1ccccc1F ZINC000581321994 1072565712 /nfs/dbraw/zinc/56/57/12/1072565712.db2.gz FXNHNOFVOIVYME-YRGRVCCFSA-N 1 0 378.404 -0.520 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322177 1072566257 /nfs/dbraw/zinc/56/62/57/1072566257.db2.gz NXARYOACHTWFLG-KYOSRNDESA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322178 1072566745 /nfs/dbraw/zinc/56/67/45/1072566745.db2.gz NXARYOACHTWFLG-OSAQELSMSA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322179 1072566501 /nfs/dbraw/zinc/56/65/01/1072566501.db2.gz NXARYOACHTWFLG-UXIGCNINSA-N 1 0 394.859 -0.006 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Oc1ccc(Cl)cc1 ZINC000581322180 1072566224 /nfs/dbraw/zinc/56/62/24/1072566224.db2.gz NXARYOACHTWFLG-ZLDLUXBVSA-N 1 0 394.859 -0.006 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322467 1072565469 /nfs/dbraw/zinc/56/54/69/1072565469.db2.gz ZUKRDDSUDZZNOU-KBPBESRZSA-N 1 0 384.440 -0.687 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322468 1072566687 /nfs/dbraw/zinc/56/66/87/1072566687.db2.gz ZUKRDDSUDZZNOU-KGLIPLIRSA-N 1 0 384.440 -0.687 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322469 1072566608 /nfs/dbraw/zinc/56/66/08/1072566608.db2.gz ZUKRDDSUDZZNOU-UONOGXRCSA-N 1 0 384.440 -0.687 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCn3cnc4ccccc43)CCN2C1=O ZINC000581322470 1072566126 /nfs/dbraw/zinc/56/61/26/1072566126.db2.gz ZUKRDDSUDZZNOU-ZIAGYGMSSA-N 1 0 384.440 -0.687 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000581330401 1072567571 /nfs/dbraw/zinc/56/75/71/1072567571.db2.gz ACSKJWIZLDQKRM-KRWDZBQOSA-N 1 0 379.457 -0.013 20 0 GBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000581330402 1072567617 /nfs/dbraw/zinc/56/76/17/1072567617.db2.gz ACSKJWIZLDQKRM-QGZVFWFLSA-N 1 0 379.457 -0.013 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000581355913 1072570197 /nfs/dbraw/zinc/57/01/97/1072570197.db2.gz AOQUNWBQQVTOTE-IBGZPJMESA-N 1 0 379.505 -0.791 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000581355914 1072570485 /nfs/dbraw/zinc/57/04/85/1072570485.db2.gz AOQUNWBQQVTOTE-LJQANCHMSA-N 1 0 379.505 -0.791 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1)NC1CC1 ZINC000581356027 1072570314 /nfs/dbraw/zinc/57/03/14/1072570314.db2.gz URZWFVOLOLCDGS-INIZCTEOSA-N 1 0 377.489 -0.894 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1)NC1CC1 ZINC000581356028 1072570635 /nfs/dbraw/zinc/57/06/35/1072570635.db2.gz URZWFVOLOLCDGS-MRXNPFEDSA-N 1 0 377.489 -0.894 20 0 GBADRO Cc1ccc(S(=O)(=O)NC2CN(C[C@@H](O)C[NH+]3CCN(C)CC3)C2)cc1 ZINC000581357226 1072570723 /nfs/dbraw/zinc/57/07/23/1072570723.db2.gz QJQJPYRTYNXQFF-KRWDZBQOSA-N 1 0 382.530 -0.434 20 0 GBADRO Cc1ccc(S(=O)(=O)NC2CN(C[C@H](O)C[NH+]3CCN(C)CC3)C2)cc1 ZINC000581357227 1072570751 /nfs/dbraw/zinc/57/07/51/1072570751.db2.gz QJQJPYRTYNXQFF-QGZVFWFLSA-N 1 0 382.530 -0.434 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000581357292 1072570654 /nfs/dbraw/zinc/57/06/54/1072570654.db2.gz GDHCXGYHIQDPHY-INIZCTEOSA-N 1 0 382.505 -0.511 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000581357293 1072570693 /nfs/dbraw/zinc/57/06/93/1072570693.db2.gz GDHCXGYHIQDPHY-MRXNPFEDSA-N 1 0 382.505 -0.511 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000581359856 1072570124 /nfs/dbraw/zinc/57/01/24/1072570124.db2.gz WZOCVAOWONPXRR-UHFFFAOYSA-N 1 0 390.554 -0.806 20 0 GBADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000581360187 530103918 /nfs/dbraw/zinc/10/39/18/530103918.db2.gz YKGGWGSJGGZMJV-CYBMUJFWSA-N 1 0 376.523 -0.156 20 0 GBADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000581360188 530103745 /nfs/dbraw/zinc/10/37/45/530103745.db2.gz YKGGWGSJGGZMJV-ZDUSSCGKSA-N 1 0 376.523 -0.156 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000581360262 530103971 /nfs/dbraw/zinc/10/39/71/530103971.db2.gz KORBLSCNXYRJGF-QNWHQSFQSA-N 1 0 375.491 -0.312 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000581360263 530103866 /nfs/dbraw/zinc/10/38/66/530103866.db2.gz KORBLSCNXYRJGF-UMSGYPCISA-N 1 0 375.491 -0.312 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000581360264 530103811 /nfs/dbraw/zinc/10/38/11/530103811.db2.gz KORBLSCNXYRJGF-WUHRBBMRSA-N 1 0 375.491 -0.312 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000581360265 530103957 /nfs/dbraw/zinc/10/39/57/530103957.db2.gz KORBLSCNXYRJGF-ZDEQEGDKSA-N 1 0 375.491 -0.312 20 0 GBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000581360659 1072570102 /nfs/dbraw/zinc/57/01/02/1072570102.db2.gz SWCNVEDWOZKSJU-CVEARBPZSA-N 1 0 394.497 -0.171 20 0 GBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000581360660 1072570598 /nfs/dbraw/zinc/57/05/98/1072570598.db2.gz SWCNVEDWOZKSJU-HOTGVXAUSA-N 1 0 394.497 -0.171 20 0 GBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000581360661 1072570152 /nfs/dbraw/zinc/57/01/52/1072570152.db2.gz SWCNVEDWOZKSJU-HZPDHXFCSA-N 1 0 394.497 -0.171 20 0 GBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000581360662 1072570177 /nfs/dbraw/zinc/57/01/77/1072570177.db2.gz SWCNVEDWOZKSJU-JKSUJKDBSA-N 1 0 394.497 -0.171 20 0 GBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000581362305 530104038 /nfs/dbraw/zinc/10/40/38/530104038.db2.gz JPMYYOBGGUMKFF-UHFFFAOYSA-N 1 0 385.552 -0.358 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@@H](C)O1 ZINC000581364051 1072571590 /nfs/dbraw/zinc/57/15/90/1072571590.db2.gz NTZXPQGAAFMUIB-FPCVCCKLSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@@H](C)O1 ZINC000581364052 1072571788 /nfs/dbraw/zinc/57/17/88/1072571788.db2.gz NTZXPQGAAFMUIB-KLHDSHLOSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@H](C)O1 ZINC000581364053 1072571101 /nfs/dbraw/zinc/57/11/01/1072571101.db2.gz NTZXPQGAAFMUIB-QKPAOTATSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@H](C)O1 ZINC000581364054 1072571443 /nfs/dbraw/zinc/57/14/43/1072571443.db2.gz NTZXPQGAAFMUIB-QXSJWSMHSA-N 1 0 380.489 -0.319 20 0 GBADRO CCOC(=O)c1cnn2c1nccc2C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000581368428 1072571561 /nfs/dbraw/zinc/57/15/61/1072571561.db2.gz GVWQTYTVOAJDLJ-UHFFFAOYSA-N 1 0 385.388 -0.314 20 0 GBADRO 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ZINC000581370289 1072571021 /nfs/dbraw/zinc/57/10/21/1072571021.db2.gz PWIRXCFXNADDSZ-UONOGXRCSA-N 1 0 394.447 -0.277 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccc(OC)c(F)c1 ZINC000581370290 1072571493 /nfs/dbraw/zinc/57/14/93/1072571493.db2.gz PWIRXCFXNADDSZ-ZIAGYGMSSA-N 1 0 394.447 -0.277 20 0 GBADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccc1S(=O)(=O)N1CCCC1 ZINC000581380799 1072573372 /nfs/dbraw/zinc/57/33/72/1072573372.db2.gz GARJOCVONUDRGI-ZDUSSCGKSA-N 1 0 396.469 -0.104 20 0 GBADRO CN(CCOCCO)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000581383917 1072573554 /nfs/dbraw/zinc/57/35/54/1072573554.db2.gz BUZPZNMEUUTTLY-GOSISDBHSA-N 1 0 392.500 -0.441 20 0 GBADRO CN(CCOCCO)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000581383918 1072573988 /nfs/dbraw/zinc/57/39/88/1072573988.db2.gz BUZPZNMEUUTTLY-SFHVURJKSA-N 1 0 392.500 -0.441 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000581385148 1072573327 /nfs/dbraw/zinc/57/33/27/1072573327.db2.gz HUXNBVUYMKFPHK-CRAIPNDOSA-N 1 0 398.463 -0.100 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000581385149 1072573452 /nfs/dbraw/zinc/57/34/52/1072573452.db2.gz HUXNBVUYMKFPHK-MAUKXSAKSA-N 1 0 398.463 -0.100 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000581385150 1072573519 /nfs/dbraw/zinc/57/35/19/1072573519.db2.gz HUXNBVUYMKFPHK-QAPCUYQASA-N 1 0 398.463 -0.100 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000581385151 1072573583 /nfs/dbraw/zinc/57/35/83/1072573583.db2.gz HUXNBVUYMKFPHK-YJBOKZPZSA-N 1 0 398.463 -0.100 20 0 GBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000581386280 530103881 /nfs/dbraw/zinc/10/38/81/530103881.db2.gz NWRGCCSJDNMHTN-KBPBESRZSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000581386281 530103996 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390.484 -0.146 20 0 GBADRO C[C@H](O)CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](C)CO ZINC000581392345 1072574519 /nfs/dbraw/zinc/57/45/19/1072574519.db2.gz USLVPXKFSINQSW-DIECFANBSA-N 1 0 385.505 -0.539 20 0 GBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000581392346 1072574693 /nfs/dbraw/zinc/57/46/93/1072574693.db2.gz USLVPXKFSINQSW-WTTBNOFXSA-N 1 0 385.505 -0.539 20 0 GBADRO C[C@H](O)CN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H](C)CO ZINC000581392347 1072574928 /nfs/dbraw/zinc/57/49/28/1072574928.db2.gz USLVPXKFSINQSW-XJNFMUPTSA-N 1 0 385.505 -0.539 20 0 GBADRO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000581392348 1072574510 /nfs/dbraw/zinc/57/45/10/1072574510.db2.gz USLVPXKFSINQSW-YALNPMBYSA-N 1 0 385.505 -0.539 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC000581392648 1072574658 /nfs/dbraw/zinc/57/46/58/1072574658.db2.gz HWBVKBLUHRXVOS-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO C[S@@](=O)C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC1 ZINC000581398212 1072576370 /nfs/dbraw/zinc/57/63/70/1072576370.db2.gz BLEDFWKHBSKMIK-AREMUKBSSA-N 1 0 385.530 -0.025 20 0 GBADRO C[S@](=O)C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC1 ZINC000581398213 1072576146 /nfs/dbraw/zinc/57/61/46/1072576146.db2.gz BLEDFWKHBSKMIK-SANMLTNESA-N 1 0 385.530 -0.025 20 0 GBADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000581402904 1072577301 /nfs/dbraw/zinc/57/73/01/1072577301.db2.gz QKKSEQOUPTUMFK-INIZCTEOSA-N 1 0 397.520 -0.181 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1)N1CCCC1 ZINC000581415193 1072580835 /nfs/dbraw/zinc/58/08/35/1072580835.db2.gz VQKYRVLMXLTKON-KRWDZBQOSA-N 1 0 391.516 -0.550 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1)N1CCCC1 ZINC000581415194 1072580569 /nfs/dbraw/zinc/58/05/69/1072580569.db2.gz VQKYRVLMXLTKON-QGZVFWFLSA-N 1 0 391.516 -0.550 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)C2)CC1 ZINC000581415428 1072580359 /nfs/dbraw/zinc/58/03/59/1072580359.db2.gz MFVXUHOWIWKUHM-CVEARBPZSA-N 1 0 379.505 -0.698 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)C2)CC1 ZINC000581415429 1072580779 /nfs/dbraw/zinc/58/07/79/1072580779.db2.gz MFVXUHOWIWKUHM-HOTGVXAUSA-N 1 0 379.505 -0.698 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)C2)CC1 ZINC000581415430 1072580195 /nfs/dbraw/zinc/58/01/95/1072580195.db2.gz MFVXUHOWIWKUHM-HZPDHXFCSA-N 1 0 379.505 -0.698 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)C2)CC1 ZINC000581415431 1072580516 /nfs/dbraw/zinc/58/05/16/1072580516.db2.gz MFVXUHOWIWKUHM-JKSUJKDBSA-N 1 0 379.505 -0.698 20 0 GBADRO Cc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1S(=O)(=O)N(C)C ZINC000581416884 1072581456 /nfs/dbraw/zinc/58/14/56/1072581456.db2.gz BIACOLDVPIRYLM-UHFFFAOYSA-N 1 0 383.474 -0.201 20 0 GBADRO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000581417361 1072581854 /nfs/dbraw/zinc/58/18/54/1072581854.db2.gz YRPNKQKXNFONFD-RYUDHWBXSA-N 1 0 396.469 -0.489 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000581417362 1072581571 /nfs/dbraw/zinc/58/15/71/1072581571.db2.gz YRPNKQKXNFONFD-TXEJJXNPSA-N 1 0 396.469 -0.489 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000581417363 1072581489 /nfs/dbraw/zinc/58/14/89/1072581489.db2.gz YRPNKQKXNFONFD-VXGBXAGGSA-N 1 0 396.469 -0.489 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581417899 1072581181 /nfs/dbraw/zinc/58/11/81/1072581181.db2.gz UVZXIZKJOWIOCA-GFCCVEGCSA-N 1 0 394.394 -0.350 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581417900 1072581890 /nfs/dbraw/zinc/58/18/90/1072581890.db2.gz UVZXIZKJOWIOCA-LBPRGKRZSA-N 1 0 394.394 -0.350 20 0 GBADRO COc1ccc(-n2ccc(CNC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])n2)cc1 ZINC000581419330 1072581580 /nfs/dbraw/zinc/58/15/80/1072581580.db2.gz GAIDHNGIBYPQKN-INIZCTEOSA-N 1 0 386.456 -0.402 20 0 GBADRO COc1ccc(-n2ccc(CNC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])n2)cc1 ZINC000581419331 1072581834 /nfs/dbraw/zinc/58/18/34/1072581834.db2.gz GAIDHNGIBYPQKN-MRXNPFEDSA-N 1 0 386.456 -0.402 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000581419485 1072581661 /nfs/dbraw/zinc/58/16/61/1072581661.db2.gz HYSNPIILCHAVCE-AWEZNQCLSA-N 1 0 388.476 -0.334 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000581419486 1072581797 /nfs/dbraw/zinc/58/17/97/1072581797.db2.gz HYSNPIILCHAVCE-CQSZACIVSA-N 1 0 388.476 -0.334 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nn2)CC1=O ZINC000581425569 1072586166 /nfs/dbraw/zinc/58/61/66/1072586166.db2.gz JYKIMOSRYPHOKJ-AWEZNQCLSA-N 1 0 387.444 -0.429 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)CC1=O ZINC000581425570 1072585554 /nfs/dbraw/zinc/58/55/54/1072585554.db2.gz 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CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)CC(C)C ZINC000582349060 530315458 /nfs/dbraw/zinc/31/54/58/530315458.db2.gz TXQWMEZRMOMSEC-UONOGXRCSA-N 1 0 376.523 -0.252 20 0 GBADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)CC(C)C ZINC000582349061 530315581 /nfs/dbraw/zinc/31/55/81/530315581.db2.gz TXQWMEZRMOMSEC-ZIAGYGMSSA-N 1 0 376.523 -0.252 20 0 GBADRO O=C(NCCCN1C(=O)COc2ccccc21)NCC(=O)N1CC[NH2+]CC1 ZINC000582349914 1072338528 /nfs/dbraw/zinc/33/85/28/1072338528.db2.gz VLTZWNSSTXHZNG-UHFFFAOYSA-N 1 0 375.429 -0.467 20 0 GBADRO Cc1ccccc1CC(=O)N1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000582350143 1072339581 /nfs/dbraw/zinc/33/95/81/1072339581.db2.gz QSXJWQCCBTTWSW-UHFFFAOYSA-N 1 0 387.484 -0.177 20 0 GBADRO COc1ccc([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)N2CCOCC2)cc1OC ZINC000582350558 1072339268 /nfs/dbraw/zinc/33/92/68/1072339268.db2.gz UDXDTOPIZRNPQI-HNNXBMFYSA-N 1 0 392.456 -0.719 20 0 GBADRO COc1ccc([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)N2CCOCC2)cc1OC ZINC000582350559 1072339729 /nfs/dbraw/zinc/33/97/29/1072339729.db2.gz UDXDTOPIZRNPQI-OAHLLOKOSA-N 1 0 392.456 -0.719 20 0 GBADRO Cc1nc2ccccc2n1CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582350580 1072339751 /nfs/dbraw/zinc/33/97/51/1072339751.db2.gz XFHGDFGZWXWBPR-UHFFFAOYSA-N 1 0 386.456 -0.601 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@H](c2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000582350742 1072339555 /nfs/dbraw/zinc/33/95/55/1072339555.db2.gz CEJHSNXGTWYLGE-HNNXBMFYSA-N 1 0 394.859 -0.212 20 0 GBADRO O=C(CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000582350743 1072339338 /nfs/dbraw/zinc/33/93/38/1072339338.db2.gz CEJHSNXGTWYLGE-OAHLLOKOSA-N 1 0 394.859 -0.212 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000582355645 1072340397 /nfs/dbraw/zinc/34/03/97/1072340397.db2.gz TZGQZLJXIXBRQJ-KRWDZBQOSA-N 1 0 389.500 -0.657 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCNC(=O)CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000582355646 1072340893 /nfs/dbraw/zinc/34/08/93/1072340893.db2.gz TZGQZLJXIXBRQJ-QGZVFWFLSA-N 1 0 389.500 -0.657 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582359159 1072340144 /nfs/dbraw/zinc/34/01/44/1072340144.db2.gz UBZMLUCGGXZSKR-KBPBESRZSA-N 1 0 388.534 -0.379 20 0 GBADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582359160 1072340650 /nfs/dbraw/zinc/34/06/50/1072340650.db2.gz UBZMLUCGGXZSKR-KGLIPLIRSA-N 1 0 388.534 -0.379 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582359161 1072340275 /nfs/dbraw/zinc/34/02/75/1072340275.db2.gz UBZMLUCGGXZSKR-UONOGXRCSA-N 1 0 388.534 -0.379 20 0 GBADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582359162 1072340471 /nfs/dbraw/zinc/34/04/71/1072340471.db2.gz UBZMLUCGGXZSKR-ZIAGYGMSSA-N 1 0 388.534 -0.379 20 0 GBADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000582359234 1072340262 /nfs/dbraw/zinc/34/02/62/1072340262.db2.gz ZWULINXIZYSTKB-AWEZNQCLSA-N 1 0 385.428 -0.420 20 0 GBADRO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000582360714 1072340224 /nfs/dbraw/zinc/34/02/24/1072340224.db2.gz BZJDXKTVIFIOHG-HNNXBMFYSA-N 1 0 382.486 -0.060 20 0 GBADRO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000582360715 1072340251 /nfs/dbraw/zinc/34/02/51/1072340251.db2.gz BZJDXKTVIFIOHG-OAHLLOKOSA-N 1 0 382.486 -0.060 20 0 GBADRO O=C(CN1CCC[NH2+]CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000582360779 1072340904 /nfs/dbraw/zinc/34/09/04/1072340904.db2.gz LXDYIPARTRYDRV-UHFFFAOYSA-N 1 0 396.513 -0.381 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000582360904 1072340702 /nfs/dbraw/zinc/34/07/02/1072340702.db2.gz YBEXJCAAFGUJIP-HNNXBMFYSA-N 1 0 384.477 -0.048 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000582360905 1072340688 /nfs/dbraw/zinc/34/06/88/1072340688.db2.gz YBEXJCAAFGUJIP-OAHLLOKOSA-N 1 0 384.477 -0.048 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1C ZINC000582362940 530315927 /nfs/dbraw/zinc/31/59/27/530315927.db2.gz AOTTZSNWTBEHFC-GFCCVEGCSA-N 1 0 376.504 -0.833 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1C ZINC000582362941 530315919 /nfs/dbraw/zinc/31/59/19/530315919.db2.gz AOTTZSNWTBEHFC-LBPRGKRZSA-N 1 0 376.504 -0.833 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC000582364474 1072341838 /nfs/dbraw/zinc/34/18/38/1072341838.db2.gz IHRXHCFDIPNIOM-CYBMUJFWSA-N 1 0 389.456 -0.395 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC[N@@H+](C2CCC2)C1 ZINC000582364475 1072341650 /nfs/dbraw/zinc/34/16/50/1072341650.db2.gz IHRXHCFDIPNIOM-ZDUSSCGKSA-N 1 0 389.456 -0.395 20 0 GBADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000582366930 1072341627 /nfs/dbraw/zinc/34/16/27/1072341627.db2.gz XGBAENPGCDFMLG-HNNXBMFYSA-N 1 0 398.485 -0.867 20 0 GBADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000582366931 1072341805 /nfs/dbraw/zinc/34/18/05/1072341805.db2.gz XGBAENPGCDFMLG-OAHLLOKOSA-N 1 0 398.485 -0.867 20 0 GBADRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cn1 ZINC000582370317 1072342967 /nfs/dbraw/zinc/34/29/67/1072342967.db2.gz MRWZERWAKRXCKT-CWRNSKLLSA-N 1 0 381.477 -0.210 20 0 GBADRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cn1 ZINC000582370318 1072342756 /nfs/dbraw/zinc/34/27/56/1072342756.db2.gz MRWZERWAKRXCKT-VNQPRFMTSA-N 1 0 381.477 -0.210 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000582370993 1072342336 /nfs/dbraw/zinc/34/23/36/1072342336.db2.gz HUTKOHAGORZCQM-GUTXKFCHSA-N 1 0 380.470 -0.568 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000582370994 1072342719 /nfs/dbraw/zinc/34/27/19/1072342719.db2.gz HUTKOHAGORZCQM-GZBFAFLISA-N 1 0 380.470 -0.568 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000582370995 1072342382 /nfs/dbraw/zinc/34/23/82/1072342382.db2.gz HUTKOHAGORZCQM-KCQAQPDRSA-N 1 0 380.470 -0.568 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000582370996 1072342857 /nfs/dbraw/zinc/34/28/57/1072342857.db2.gz HUTKOHAGORZCQM-YDHLFZDLSA-N 1 0 380.470 -0.568 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CCN2C1=O ZINC000582371593 1072343616 /nfs/dbraw/zinc/34/36/16/1072343616.db2.gz FMIQSHUDINKRHO-ZIAGYGMSSA-N 1 0 385.424 -0.330 20 0 GBADRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000582371708 1072342646 /nfs/dbraw/zinc/34/26/46/1072342646.db2.gz JLASLAITFZSGKJ-UHFFFAOYSA-N 1 0 388.428 -0.148 20 0 GBADRO COCCOc1ccc(CNC(=O)C(=O)NCc2cnc(N(C)C)n2C)cn1 ZINC000582374154 1072342920 /nfs/dbraw/zinc/34/29/20/1072342920.db2.gz CPNUJELDIPUWST-UHFFFAOYSA-N 1 0 390.444 -0.161 20 0 GBADRO CNC(=O)c1cccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000582374240 1072342659 /nfs/dbraw/zinc/34/26/59/1072342659.db2.gz HRXGAXNBVJFXBQ-UHFFFAOYSA-N 1 0 389.500 -0.195 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]2CCO[C@H]21 ZINC000582378960 1072343822 /nfs/dbraw/zinc/34/38/22/1072343822.db2.gz ADKQRXSISRTOJD-DJIMGWMZSA-N 1 0 392.500 -0.317 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000582378961 1072343883 /nfs/dbraw/zinc/34/38/83/1072343883.db2.gz ADKQRXSISRTOJD-OIISXLGYSA-N 1 0 392.500 -0.317 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000582378962 1072343657 /nfs/dbraw/zinc/34/36/57/1072343657.db2.gz ADKQRXSISRTOJD-UAGQMJEPSA-N 1 0 392.500 -0.317 20 0 GBADRO CC1(C)[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H]2CCO[C@H]21 ZINC000582378963 1072343899 /nfs/dbraw/zinc/34/38/99/1072343899.db2.gz ADKQRXSISRTOJD-USXIJHARSA-N 1 0 392.500 -0.317 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000582380578 1072343533 /nfs/dbraw/zinc/34/35/33/1072343533.db2.gz GROIVMKOTPNQGD-CVEARBPZSA-N 1 0 380.489 -0.173 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000582380579 1072343781 /nfs/dbraw/zinc/34/37/81/1072343781.db2.gz GROIVMKOTPNQGD-HOTGVXAUSA-N 1 0 380.489 -0.173 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000582380580 1072343369 /nfs/dbraw/zinc/34/33/69/1072343369.db2.gz GROIVMKOTPNQGD-HZPDHXFCSA-N 1 0 380.489 -0.173 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000582380581 1072343503 /nfs/dbraw/zinc/34/35/03/1072343503.db2.gz GROIVMKOTPNQGD-JKSUJKDBSA-N 1 0 380.489 -0.173 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000582384951 1072344655 /nfs/dbraw/zinc/34/46/55/1072344655.db2.gz HIAJVLNKRFJYBT-CABCVRRESA-N 1 0 395.504 -0.970 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000582384952 1072344798 /nfs/dbraw/zinc/34/47/98/1072344798.db2.gz HIAJVLNKRFJYBT-GJZGRUSLSA-N 1 0 395.504 -0.970 20 0 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CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)C1 ZINC000582409309 1072350093 /nfs/dbraw/zinc/35/00/93/1072350093.db2.gz QHQAAXGVDSQCFT-KGLIPLIRSA-N 1 0 391.490 -0.457 20 0 GBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000582409310 1072350442 /nfs/dbraw/zinc/35/04/42/1072350442.db2.gz QHQAAXGVDSQCFT-UONOGXRCSA-N 1 0 391.490 -0.457 20 0 GBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000582409311 1072350416 /nfs/dbraw/zinc/35/04/16/1072350416.db2.gz QHQAAXGVDSQCFT-ZIAGYGMSSA-N 1 0 391.490 -0.457 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000582410352 1072351271 /nfs/dbraw/zinc/35/12/71/1072351271.db2.gz WAAJQIHRZZXKTJ-GFCCVEGCSA-N 1 0 380.415 -0.169 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000582410353 1072351666 /nfs/dbraw/zinc/35/16/66/1072351666.db2.gz WAAJQIHRZZXKTJ-LBPRGKRZSA-N 1 0 380.415 -0.169 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2ccc(F)cn2)CC1 ZINC000582414652 1072351354 /nfs/dbraw/zinc/35/13/54/1072351354.db2.gz SQRXGKAEKVIBKT-INIZCTEOSA-N 1 0 390.463 -0.625 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2ccc(F)cn2)CC1 ZINC000582414653 1072351230 /nfs/dbraw/zinc/35/12/30/1072351230.db2.gz SQRXGKAEKVIBKT-MRXNPFEDSA-N 1 0 390.463 -0.625 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000582417271 1072351329 /nfs/dbraw/zinc/35/13/29/1072351329.db2.gz PNCOVTOIZWAWSG-GFCCVEGCSA-N 1 0 376.413 -0.041 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000582417272 1072351430 /nfs/dbraw/zinc/35/14/30/1072351430.db2.gz PNCOVTOIZWAWSG-LBPRGKRZSA-N 1 0 376.413 -0.041 20 0 GBADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000582418481 1072351598 /nfs/dbraw/zinc/35/15/98/1072351598.db2.gz ZZHAENVWKAVZKP-CVEARBPZSA-N 1 0 390.488 -0.223 20 0 GBADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 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ZINC000582477743 1072360201 /nfs/dbraw/zinc/36/02/01/1072360201.db2.gz KSTAOADGZQYYHA-ZDUSSCGKSA-N 1 0 393.492 -0.564 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000582481442 1072360797 /nfs/dbraw/zinc/36/07/97/1072360797.db2.gz GDDSUXLPYRSRNB-DLBZAZTESA-N 1 0 394.516 -0.321 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000582481445 1072360580 /nfs/dbraw/zinc/36/05/80/1072360580.db2.gz GDDSUXLPYRSRNB-IAGOWNOFSA-N 1 0 394.516 -0.321 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000582481446 1072361020 /nfs/dbraw/zinc/36/10/20/1072361020.db2.gz GDDSUXLPYRSRNB-IRXDYDNUSA-N 1 0 394.516 -0.321 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000582481448 1072360877 /nfs/dbraw/zinc/36/08/77/1072360877.db2.gz GDDSUXLPYRSRNB-SJORKVTESA-N 1 0 394.516 -0.321 20 0 GBADRO CC[C@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1 ZINC000582481656 1072360174 /nfs/dbraw/zinc/36/01/74/1072360174.db2.gz COGVDBYHMZRFNK-BBRMVZONSA-N 1 0 375.425 -0.130 20 0 GBADRO CC[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1 ZINC000582481657 1072360192 /nfs/dbraw/zinc/36/01/92/1072360192.db2.gz COGVDBYHMZRFNK-CJNGLKHVSA-N 1 0 375.425 -0.130 20 0 GBADRO CC[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1 ZINC000582481658 1072361202 /nfs/dbraw/zinc/36/12/02/1072361202.db2.gz COGVDBYHMZRFNK-CZUORRHYSA-N 1 0 375.425 -0.130 20 0 GBADRO CC[C@@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1 ZINC000582481659 1072360902 /nfs/dbraw/zinc/36/09/02/1072360902.db2.gz COGVDBYHMZRFNK-XJKSGUPXSA-N 1 0 375.425 -0.130 20 0 GBADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000582484210 1072360979 /nfs/dbraw/zinc/36/09/79/1072360979.db2.gz FUZQNRLMVWMVCF-KRWDZBQOSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000582484217 1072361256 /nfs/dbraw/zinc/36/12/56/1072361256.db2.gz FUZQNRLMVWMVCF-QGZVFWFLSA-N 1 0 387.484 -0.290 20 0 GBADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2ncccn2)CC1 ZINC000582484367 1072360556 /nfs/dbraw/zinc/36/05/56/1072360556.db2.gz KICBCLXKMOGAAV-INIZCTEOSA-N 1 0 389.504 -0.637 20 0 GBADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CCN(c2ncccn2)CC1 ZINC000582484368 1072360960 /nfs/dbraw/zinc/36/09/60/1072360960.db2.gz KICBCLXKMOGAAV-MRXNPFEDSA-N 1 0 389.504 -0.637 20 0 GBADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nn1 ZINC000582486679 530327392 /nfs/dbraw/zinc/32/73/92/530327392.db2.gz ONGPCZRSEVOWFV-GFCCVEGCSA-N 1 0 384.487 -0.060 20 0 GBADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nn1 ZINC000582486685 530327179 /nfs/dbraw/zinc/32/71/79/530327179.db2.gz ONGPCZRSEVOWFV-LBPRGKRZSA-N 1 0 384.487 -0.060 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000582486869 530327440 /nfs/dbraw/zinc/32/74/40/530327440.db2.gz UGKGPOCQXCKXFW-CYBMUJFWSA-N 1 0 376.429 -0.468 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000582486874 530327343 /nfs/dbraw/zinc/32/73/43/530327343.db2.gz UGKGPOCQXCKXFW-ZDUSSCGKSA-N 1 0 376.429 -0.468 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000582488718 1072362171 /nfs/dbraw/zinc/36/21/71/1072362171.db2.gz OKJPPBIEJNMXTQ-CYBMUJFWSA-N 1 0 375.464 -0.416 20 0 GBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000582488719 1072361964 /nfs/dbraw/zinc/36/19/64/1072361964.db2.gz OKJPPBIEJNMXTQ-ZDUSSCGKSA-N 1 0 375.464 -0.416 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cncc(OC)n3)cn2)CC1 ZINC000582489719 1072361931 /nfs/dbraw/zinc/36/19/31/1072361931.db2.gz VAMCDOZWDKNWCR-UHFFFAOYSA-N 1 0 399.455 0.277 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000582495399 1072362114 /nfs/dbraw/zinc/36/21/14/1072362114.db2.gz HLXCAMSOVHCVKR-UHFFFAOYSA-N 1 0 395.485 -0.582 20 0 GBADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000582498013 1072362867 /nfs/dbraw/zinc/36/28/67/1072362867.db2.gz ICYDWKOCLDCIKE-DZGCQCFKSA-N 1 0 397.453 -0.448 20 0 GBADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000582498015 1072362818 /nfs/dbraw/zinc/36/28/18/1072362818.db2.gz ICYDWKOCLDCIKE-HIFRSBDPSA-N 1 0 397.453 -0.448 20 0 GBADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000582498017 1072362950 /nfs/dbraw/zinc/36/29/50/1072362950.db2.gz ICYDWKOCLDCIKE-UKRRQHHQSA-N 1 0 397.453 -0.448 20 0 GBADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000582498018 1072363184 /nfs/dbraw/zinc/36/31/84/1072363184.db2.gz ICYDWKOCLDCIKE-ZFWWWQNUSA-N 1 0 397.453 -0.448 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582498153 1072362058 /nfs/dbraw/zinc/36/20/58/1072362058.db2.gz HCVSNFROIPHSKV-HZSPNIEDSA-N 1 0 390.440 -0.651 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582498154 1072362037 /nfs/dbraw/zinc/36/20/37/1072362037.db2.gz HCVSNFROIPHSKV-MCIONIFRSA-N 1 0 390.440 -0.651 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582498155 1072361637 /nfs/dbraw/zinc/36/16/37/1072361637.db2.gz HCVSNFROIPHSKV-MGPQQGTHSA-N 1 0 390.440 -0.651 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582498156 1072362610 /nfs/dbraw/zinc/36/26/10/1072362610.db2.gz HCVSNFROIPHSKV-RDBSUJKOSA-N 1 0 390.440 -0.651 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCCCC(=O)OC(C)C)CC1 ZINC000582498948 1072363158 /nfs/dbraw/zinc/36/31/58/1072363158.db2.gz ZWDHWTFSWNZEKE-UHFFFAOYSA-N 1 0 398.504 -0.059 20 0 GBADRO CC(C)(O)CN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000582503794 1072362663 /nfs/dbraw/zinc/36/26/63/1072362663.db2.gz ULYCCGOOBXZOGQ-UHFFFAOYSA-N 1 0 396.532 -0.337 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000582514872 1072364048 /nfs/dbraw/zinc/36/40/48/1072364048.db2.gz SIZPUOAWJJEFPL-LBPRGKRZSA-N 1 0 395.533 0.006 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000582532446 1072364584 /nfs/dbraw/zinc/36/45/84/1072364584.db2.gz ZYKNBQUOXYDOIQ-DOTOQJQBSA-N 1 0 391.516 -0.506 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000582532447 1072364720 /nfs/dbraw/zinc/36/47/20/1072364720.db2.gz ZYKNBQUOXYDOIQ-NVXWUHKLSA-N 1 0 391.516 -0.506 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000582532448 1072364879 /nfs/dbraw/zinc/36/48/79/1072364879.db2.gz ZYKNBQUOXYDOIQ-RDJZCZTQSA-N 1 0 391.516 -0.506 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000582532449 1072364803 /nfs/dbraw/zinc/36/48/03/1072364803.db2.gz ZYKNBQUOXYDOIQ-WBVHZDCISA-N 1 0 391.516 -0.506 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000582534841 1072365255 /nfs/dbraw/zinc/36/52/55/1072365255.db2.gz DXJADIPJHUSONI-AWEZNQCLSA-N 1 0 382.486 -0.318 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000582534842 1072365666 /nfs/dbraw/zinc/36/56/66/1072365666.db2.gz DXJADIPJHUSONI-CQSZACIVSA-N 1 0 382.486 -0.318 20 0 GBADRO CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000582536400 1072365768 /nfs/dbraw/zinc/36/57/68/1072365768.db2.gz DYHDXASRAUUBFT-AWEZNQCLSA-N 1 0 376.457 -0.090 20 0 GBADRO CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000582536401 1072366060 /nfs/dbraw/zinc/36/60/60/1072366060.db2.gz DYHDXASRAUUBFT-CQSZACIVSA-N 1 0 376.457 -0.090 20 0 GBADRO CC(C)(C)c1csc(CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)n1 ZINC000582536559 1072366071 /nfs/dbraw/zinc/36/60/71/1072366071.db2.gz INQSJEWAAWWMRF-UHFFFAOYSA-N 1 0 381.502 -0.353 20 0 GBADRO CC(=O)c1ccc2c(c1)CCN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CC2 ZINC000582536738 1072365603 /nfs/dbraw/zinc/36/56/03/1072365603.db2.gz HSMOLLFUEPMLKN-UHFFFAOYSA-N 1 0 386.452 -0.636 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000582540585 1072366140 /nfs/dbraw/zinc/36/61/40/1072366140.db2.gz FFOOUSGFWKIWBD-YESZJQIVSA-N 1 0 391.516 -0.506 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000582540586 1072365866 /nfs/dbraw/zinc/36/58/66/1072365866.db2.gz FFOOUSGFWKIWBD-ZACQAIPSSA-N 1 0 391.516 -0.506 20 0 GBADRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000582546979 1072365923 /nfs/dbraw/zinc/36/59/23/1072365923.db2.gz BCOAYPRJBIGHLG-AWEZNQCLSA-N 1 0 379.461 -0.218 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)o1 ZINC000582547034 1072365889 /nfs/dbraw/zinc/36/58/89/1072365889.db2.gz DTIIBGPMJCNARE-CYBMUJFWSA-N 1 0 392.437 -0.340 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)o1 ZINC000582547035 1072366184 /nfs/dbraw/zinc/36/61/84/1072366184.db2.gz DTIIBGPMJCNARE-ZDUSSCGKSA-N 1 0 392.437 -0.340 20 0 GBADRO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000582553393 1072367541 /nfs/dbraw/zinc/36/75/41/1072367541.db2.gz ZVOBDQVKKYDGHO-UHFFFAOYSA-N 1 0 376.457 -0.423 20 0 GBADRO C[NH+](C)[C@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1O ZINC000582555044 1072367268 /nfs/dbraw/zinc/36/72/68/1072367268.db2.gz ZPHBGVQQLWDJCV-OALUTQOASA-N 1 0 376.501 -0.258 20 0 GBADRO Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582558024 1072367377 /nfs/dbraw/zinc/36/73/77/1072367377.db2.gz BWYJHPNJJYTXSP-CVEARBPZSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582558025 1072367713 /nfs/dbraw/zinc/36/77/13/1072367713.db2.gz BWYJHPNJJYTXSP-HOTGVXAUSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582558026 1072367617 /nfs/dbraw/zinc/36/76/17/1072367617.db2.gz BWYJHPNJJYTXSP-HZPDHXFCSA-N 1 0 388.468 -0.041 20 0 GBADRO Cc1cccc(C)c1OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582558027 1072367589 /nfs/dbraw/zinc/36/75/89/1072367589.db2.gz BWYJHPNJJYTXSP-JKSUJKDBSA-N 1 0 388.468 -0.041 20 0 GBADRO CCC(CC)[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000582562106 530327690 /nfs/dbraw/zinc/32/76/90/530327690.db2.gz IEAXNJZGVHWEFV-HNNXBMFYSA-N 1 0 378.539 -0.022 20 0 GBADRO CCC(CC)[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000582562107 530327885 /nfs/dbraw/zinc/32/78/85/530327885.db2.gz IEAXNJZGVHWEFV-OAHLLOKOSA-N 1 0 378.539 -0.022 20 0 GBADRO COCCN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000582564531 1072368198 /nfs/dbraw/zinc/36/81/98/1072368198.db2.gz UYYVBWXJDFAQRL-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO C[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568225 1072368436 /nfs/dbraw/zinc/36/84/36/1072368436.db2.gz RHFJXBHFGBXKOI-CABCVRRESA-N 1 0 391.538 -0.333 20 0 GBADRO C[C@H]1COCCN1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568226 1072368216 /nfs/dbraw/zinc/36/82/16/1072368216.db2.gz RHFJXBHFGBXKOI-GJZGRUSLSA-N 1 0 391.538 -0.333 20 0 GBADRO C[C@@H]1COCCN1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568227 1072368717 /nfs/dbraw/zinc/36/87/17/1072368717.db2.gz RHFJXBHFGBXKOI-HUUCEWRRSA-N 1 0 391.538 -0.333 20 0 GBADRO C[C@H]1COCCN1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568228 1072368580 /nfs/dbraw/zinc/36/85/80/1072368580.db2.gz RHFJXBHFGBXKOI-LSDHHAIUSA-N 1 0 391.538 -0.333 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000582582558 1072371238 /nfs/dbraw/zinc/37/12/38/1072371238.db2.gz PGPAQFHUJRUHNH-AAVRWANBSA-N 1 0 377.489 -0.101 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000582582559 1072371170 /nfs/dbraw/zinc/37/11/70/1072371170.db2.gz PGPAQFHUJRUHNH-RQJABVFESA-N 1 0 377.489 -0.101 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000582582560 1072371441 /nfs/dbraw/zinc/37/14/41/1072371441.db2.gz PGPAQFHUJRUHNH-SYQHCUMBSA-N 1 0 377.489 -0.101 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000582582561 1072371557 /nfs/dbraw/zinc/37/15/57/1072371557.db2.gz PGPAQFHUJRUHNH-XJFOESAGSA-N 1 0 377.489 -0.101 20 0 GBADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000582585324 530327799 /nfs/dbraw/zinc/32/77/99/530327799.db2.gz ADCFKIZUDUTQMK-UHFFFAOYSA-N 1 0 390.531 -0.362 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000582591552 530327808 /nfs/dbraw/zinc/32/78/08/530327808.db2.gz NUGSDEAWZJKALC-AWEZNQCLSA-N 1 0 376.523 -0.283 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000582591553 530327890 /nfs/dbraw/zinc/32/78/90/530327890.db2.gz NUGSDEAWZJKALC-CQSZACIVSA-N 1 0 376.523 -0.283 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)n1 ZINC000582591597 1072372504 /nfs/dbraw/zinc/37/25/04/1072372504.db2.gz VHIBBDSUTGGPMY-HNNXBMFYSA-N 1 0 388.472 -0.170 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)n1 ZINC000582591598 1072372328 /nfs/dbraw/zinc/37/23/28/1072372328.db2.gz VHIBBDSUTGGPMY-OAHLLOKOSA-N 1 0 388.472 -0.170 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000582596467 1072371912 /nfs/dbraw/zinc/37/19/12/1072371912.db2.gz HAJGMEMFNWGRQK-MRXNPFEDSA-N 1 0 388.468 -0.030 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000582596958 1072372514 /nfs/dbraw/zinc/37/25/14/1072372514.db2.gz MJGUFUOUYZORMV-INIZCTEOSA-N 1 0 387.484 -0.733 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000582596959 1072371957 /nfs/dbraw/zinc/37/19/57/1072371957.db2.gz MJGUFUOUYZORMV-MRXNPFEDSA-N 1 0 387.484 -0.733 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582607013 1072373326 /nfs/dbraw/zinc/37/33/26/1072373326.db2.gz JBGWOIKSNSBQJN-AEGPPILISA-N 1 0 394.497 -0.090 20 0 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CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000582617280 1072376132 /nfs/dbraw/zinc/37/61/32/1072376132.db2.gz PSXBTYVGNYVMOW-VQIMIIECSA-N 1 0 385.472 -0.152 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618207 1072375559 /nfs/dbraw/zinc/37/55/59/1072375559.db2.gz WCMVEOCNEJUKQS-CMPLNLGQSA-N 1 0 382.367 -0.212 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618213 1072375981 /nfs/dbraw/zinc/37/59/81/1072375981.db2.gz WCMVEOCNEJUKQS-JQWIXIFHSA-N 1 0 382.367 -0.212 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618214 1072375995 /nfs/dbraw/zinc/37/59/95/1072375995.db2.gz WCMVEOCNEJUKQS-PWSUYJOCSA-N 1 0 382.367 -0.212 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccccc3OC(F)F)CCN2C1=O ZINC000582618215 1072375626 /nfs/dbraw/zinc/37/56/26/1072375626.db2.gz WCMVEOCNEJUKQS-ZYHUDNBSSA-N 1 0 382.367 -0.212 20 0 GBADRO CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 ZINC000582623271 1072376774 /nfs/dbraw/zinc/37/67/74/1072376774.db2.gz CGYZYWGZHBGLIG-UHFFFAOYSA-N 1 0 399.498 -0.298 20 0 GBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000582626908 1072377431 /nfs/dbraw/zinc/37/74/31/1072377431.db2.gz JXJJMOWDJGQXFL-INIZCTEOSA-N 1 0 395.548 -0.155 20 0 GBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000582626912 1072377021 /nfs/dbraw/zinc/37/70/21/1072377021.db2.gz JXJJMOWDJGQXFL-MRXNPFEDSA-N 1 0 395.548 -0.155 20 0 GBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000582627074 1072377186 /nfs/dbraw/zinc/37/71/86/1072377186.db2.gz LUCOQHUHTGBLIY-HNNXBMFYSA-N 1 0 381.521 -0.402 20 0 GBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000582627077 1072376817 /nfs/dbraw/zinc/37/68/17/1072376817.db2.gz LUCOQHUHTGBLIY-OAHLLOKOSA-N 1 0 381.521 -0.402 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)C)CCN1c1nccn2cnnc12 ZINC000582651809 1072380896 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-0.431 20 0 GBADRO O=C(NCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582656256 1072382065 /nfs/dbraw/zinc/38/20/65/1072382065.db2.gz KZDLPWXKIVVNIC-SFHVURJKSA-N 1 0 391.472 -0.431 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)[C@@H](C[NH3+])C1 ZINC000582660138 1072382128 /nfs/dbraw/zinc/38/21/28/1072382128.db2.gz HZZNJUKOUOFZAY-INIZCTEOSA-N 1 0 397.483 -0.688 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)[C@H](C[NH3+])C1 ZINC000582660139 1072382121 /nfs/dbraw/zinc/38/21/21/1072382121.db2.gz HZZNJUKOUOFZAY-MRXNPFEDSA-N 1 0 397.483 -0.688 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(nnc3-c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000582660340 1072382050 /nfs/dbraw/zinc/38/20/50/1072382050.db2.gz SLLLUYBTBAZBHI-HNNXBMFYSA-N 1 0 383.456 -0.611 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCn3c(nnc3-c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000582660341 1072382060 /nfs/dbraw/zinc/38/20/60/1072382060.db2.gz SLLLUYBTBAZBHI-OAHLLOKOSA-N 1 0 383.456 -0.611 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582664293 1072382719 /nfs/dbraw/zinc/38/27/19/1072382719.db2.gz IIVPLIXFVHXYGL-DZGCQCFKSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582664294 1072383128 /nfs/dbraw/zinc/38/31/28/1072383128.db2.gz IIVPLIXFVHXYGL-HIFRSBDPSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582664295 1072382904 /nfs/dbraw/zinc/38/29/04/1072382904.db2.gz IIVPLIXFVHXYGL-UKRRQHHQSA-N 1 0 382.486 -0.272 20 0 GBADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582664297 1072382847 /nfs/dbraw/zinc/38/28/47/1072382847.db2.gz IIVPLIXFVHXYGL-ZFWWWQNUSA-N 1 0 382.486 -0.272 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000582664694 1072382932 /nfs/dbraw/zinc/38/29/32/1072382932.db2.gz GRNNYYOIECCMOK-SCDSUCTJSA-N 1 0 384.458 -0.585 20 0 GBADRO 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YTLIZEXKGDCVKV-OAHLLOKOSA-N 1 0 398.533 -0.471 20 0 GBADRO OC(CN1CCC[C@H](N2CCOCC2)C1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000582733317 1072393278 /nfs/dbraw/zinc/39/32/78/1072393278.db2.gz AEQQTSMZXXSQHG-PMACEKPBSA-N 1 0 396.576 -0.060 20 0 GBADRO OC(CN1CCC[C@@H](N2CCOCC2)C1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000582733323 1072393415 /nfs/dbraw/zinc/39/34/15/1072393415.db2.gz AEQQTSMZXXSQHG-WOJBJXKFSA-N 1 0 396.576 -0.060 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000582733801 1072394364 /nfs/dbraw/zinc/39/43/64/1072394364.db2.gz MRWHKZKLHBRXPK-UHFFFAOYSA-N 1 0 378.477 -0.741 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000582737027 1072394827 /nfs/dbraw/zinc/39/48/27/1072394827.db2.gz OJHLUMAJTMQDKC-YESZJQIVSA-N 1 0 398.463 -0.507 20 0 GBADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000582737028 1072395228 /nfs/dbraw/zinc/39/52/28/1072395228.db2.gz OJHLUMAJTMQDKC-ZACQAIPSSA-N 1 0 398.463 -0.507 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000582751083 1072395947 /nfs/dbraw/zinc/39/59/47/1072395947.db2.gz DNYKNRKFSIBNNO-DZGCQCFKSA-N 1 0 390.488 -0.011 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000582751085 1072396788 /nfs/dbraw/zinc/39/67/88/1072396788.db2.gz DNYKNRKFSIBNNO-HIFRSBDPSA-N 1 0 390.488 -0.011 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000582751086 1072396964 /nfs/dbraw/zinc/39/69/64/1072396964.db2.gz DNYKNRKFSIBNNO-UKRRQHHQSA-N 1 0 390.488 -0.011 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000582751087 1072397031 /nfs/dbraw/zinc/39/70/31/1072397031.db2.gz DNYKNRKFSIBNNO-ZFWWWQNUSA-N 1 0 390.488 -0.011 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000582754921 1072396515 /nfs/dbraw/zinc/39/65/15/1072396515.db2.gz COIWDCJJCAUHFI-UHFFFAOYSA-N 1 0 387.506 -0.125 20 0 GBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC(C)(CO)CO)c1 ZINC000582763563 1072396568 /nfs/dbraw/zinc/39/65/68/1072396568.db2.gz HJANPGCMISOZEF-UHFFFAOYSA-N 1 0 380.445 -0.235 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000582771346 1072397729 /nfs/dbraw/zinc/39/77/29/1072397729.db2.gz KFKZSSCFSUUTBX-DLBZAZTESA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000582771347 1072397411 /nfs/dbraw/zinc/39/74/11/1072397411.db2.gz KFKZSSCFSUUTBX-IAGOWNOFSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000582771348 1072397883 /nfs/dbraw/zinc/39/78/83/1072397883.db2.gz KFKZSSCFSUUTBX-IRXDYDNUSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000582771349 1072397699 /nfs/dbraw/zinc/39/76/99/1072397699.db2.gz KFKZSSCFSUUTBX-SJORKVTESA-N 1 0 392.500 -0.173 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000582773934 1072397646 /nfs/dbraw/zinc/39/76/46/1072397646.db2.gz UTKSFZYQVQUXEY-HNNXBMFYSA-N 1 0 380.489 -0.173 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000582773935 1072397653 /nfs/dbraw/zinc/39/76/53/1072397653.db2.gz UTKSFZYQVQUXEY-OAHLLOKOSA-N 1 0 380.489 -0.173 20 0 GBADRO CCCCCn1cc(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)c(C)n1 ZINC000582775388 1072397862 /nfs/dbraw/zinc/39/78/62/1072397862.db2.gz CRRHUWOHGPKJAR-UHFFFAOYSA-N 1 0 378.477 -0.454 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000582775626 1072398303 /nfs/dbraw/zinc/39/83/03/1072398303.db2.gz MHOCYWCZYDNLBG-GFCCVEGCSA-N 1 0 382.848 -0.229 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000582775627 1072398592 /nfs/dbraw/zinc/39/85/92/1072398592.db2.gz MHOCYWCZYDNLBG-LBPRGKRZSA-N 1 0 382.848 -0.229 20 0 GBADRO COc1ccc(OC)c(CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000582775700 1072398241 /nfs/dbraw/zinc/39/82/41/1072398241.db2.gz ZCNQVPXLXCYKIQ-HNNXBMFYSA-N 1 0 378.473 -0.146 20 0 GBADRO COc1ccc(OC)c(CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000582775701 1072398444 /nfs/dbraw/zinc/39/84/44/1072398444.db2.gz ZCNQVPXLXCYKIQ-OAHLLOKOSA-N 1 0 378.473 -0.146 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000582775901 1072398261 /nfs/dbraw/zinc/39/82/61/1072398261.db2.gz YHKFTAFBPAYITF-BZUAXINKSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000582775902 1072398585 /nfs/dbraw/zinc/39/85/85/1072398585.db2.gz YHKFTAFBPAYITF-OAGGEKHMSA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000582775903 1072398388 /nfs/dbraw/zinc/39/83/88/1072398388.db2.gz YHKFTAFBPAYITF-OWCLPIDISA-N 1 0 379.505 -0.744 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000582775904 1072398318 /nfs/dbraw/zinc/39/83/18/1072398318.db2.gz YHKFTAFBPAYITF-PMPSAXMXSA-N 1 0 379.505 -0.744 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCCO1 ZINC000582779687 1072398524 /nfs/dbraw/zinc/39/85/24/1072398524.db2.gz NCNYSAPDIIETSN-INIZCTEOSA-N 1 0 380.489 -0.186 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCCO1 ZINC000582779688 1072398542 /nfs/dbraw/zinc/39/85/42/1072398542.db2.gz NCNYSAPDIIETSN-MRXNPFEDSA-N 1 0 380.489 -0.186 20 0 GBADRO COC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582779731 1072398716 /nfs/dbraw/zinc/39/87/16/1072398716.db2.gz SHSQXLARZKMRME-DLBZAZTESA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582779732 1072398422 /nfs/dbraw/zinc/39/84/22/1072398422.db2.gz SHSQXLARZKMRME-IAGOWNOFSA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582779733 1072398348 /nfs/dbraw/zinc/39/83/48/1072398348.db2.gz SHSQXLARZKMRME-IRXDYDNUSA-N 1 0 394.516 -0.068 20 0 GBADRO COC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582779734 1072398571 /nfs/dbraw/zinc/39/85/71/1072398571.db2.gz SHSQXLARZKMRME-SJORKVTESA-N 1 0 394.516 -0.068 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000582785431 1072399462 /nfs/dbraw/zinc/39/94/62/1072399462.db2.gz GESULKPDRRJOBB-ZDUSSCGKSA-N 1 0 381.454 -0.029 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582786288 1072399430 /nfs/dbraw/zinc/39/94/30/1072399430.db2.gz YDHROJCXAKQGQA-CHWSQXEVSA-N 1 0 381.454 -0.452 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582786289 1072399374 /nfs/dbraw/zinc/39/93/74/1072399374.db2.gz YDHROJCXAKQGQA-OLZOCXBDSA-N 1 0 381.454 -0.452 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582786290 1072399196 /nfs/dbraw/zinc/39/91/96/1072399196.db2.gz YDHROJCXAKQGQA-QWHCGFSZSA-N 1 0 381.454 -0.452 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582786291 1072399281 /nfs/dbraw/zinc/39/92/81/1072399281.db2.gz YDHROJCXAKQGQA-STQMWFEESA-N 1 0 381.454 -0.452 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582789877 530328706 /nfs/dbraw/zinc/32/87/06/530328706.db2.gz FEARKPNVLOLAMX-CYBMUJFWSA-N 1 0 393.535 -0.626 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582789878 530328607 /nfs/dbraw/zinc/32/86/07/530328607.db2.gz FEARKPNVLOLAMX-ZDUSSCGKSA-N 1 0 393.535 -0.626 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582790687 1072400264 /nfs/dbraw/zinc/40/02/64/1072400264.db2.gz ACWSKVPUUYDHHY-AWEZNQCLSA-N 1 0 398.485 -0.284 20 0 GBADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582790688 1072400403 /nfs/dbraw/zinc/40/04/03/1072400403.db2.gz ACWSKVPUUYDHHY-CQSZACIVSA-N 1 0 398.485 -0.284 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000582791048 1072400301 /nfs/dbraw/zinc/40/03/01/1072400301.db2.gz BCJSROZKIFHCTG-UHFFFAOYSA-N 1 0 378.477 -0.704 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796911 1072400344 /nfs/dbraw/zinc/40/03/44/1072400344.db2.gz DCNNLDIWLAKOMM-DZGCQCFKSA-N 1 0 380.470 -0.196 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796912 1072400398 /nfs/dbraw/zinc/40/03/98/1072400398.db2.gz DCNNLDIWLAKOMM-HIFRSBDPSA-N 1 0 380.470 -0.196 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796913 1072400406 /nfs/dbraw/zinc/40/04/06/1072400406.db2.gz DCNNLDIWLAKOMM-UKRRQHHQSA-N 1 0 380.470 -0.196 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)CCN2C1=O ZINC000582796915 1072400316 /nfs/dbraw/zinc/40/03/16/1072400316.db2.gz DCNNLDIWLAKOMM-ZFWWWQNUSA-N 1 0 380.470 -0.196 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000582797005 1072401356 /nfs/dbraw/zinc/40/13/56/1072401356.db2.gz FXNAUEKPSQKKGT-CHWSQXEVSA-N 1 0 376.413 -0.910 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000582797006 1072401392 /nfs/dbraw/zinc/40/13/92/1072401392.db2.gz FXNAUEKPSQKKGT-OLZOCXBDSA-N 1 0 376.413 -0.910 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000582797007 1072401311 /nfs/dbraw/zinc/40/13/11/1072401311.db2.gz FXNAUEKPSQKKGT-QWHCGFSZSA-N 1 0 376.413 -0.910 20 0 GBADRO COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000582797008 1072401503 /nfs/dbraw/zinc/40/15/03/1072401503.db2.gz FXNAUEKPSQKKGT-STQMWFEESA-N 1 0 376.413 -0.910 20 0 GBADRO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2cn(CC[NH3+])nn2)c1 ZINC000582797373 1072400322 /nfs/dbraw/zinc/40/03/22/1072400322.db2.gz OIWASEOWZCYTGA-UHFFFAOYSA-N 1 0 387.404 -0.498 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000582800350 1072401130 /nfs/dbraw/zinc/40/11/30/1072401130.db2.gz QUQLEAFIRYXEJO-UHFFFAOYSA-N 1 0 394.520 -0.463 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000582801670 1072402272 /nfs/dbraw/zinc/40/22/72/1072402272.db2.gz DHASKOPROFCATM-ARFHVFGLSA-N 1 0 380.489 -0.317 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000582801671 1072402556 /nfs/dbraw/zinc/40/25/56/1072402556.db2.gz DHASKOPROFCATM-BZUAXINKSA-N 1 0 380.489 -0.317 20 0 GBADRO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000582801672 1072402432 /nfs/dbraw/zinc/40/24/32/1072402432.db2.gz DHASKOPROFCATM-HRCADAONSA-N 1 0 380.489 -0.317 20 0 GBADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000582801673 1072402181 /nfs/dbraw/zinc/40/21/81/1072402181.db2.gz DHASKOPROFCATM-OWCLPIDISA-N 1 0 380.489 -0.317 20 0 GBADRO COC1CC[NH+](C(C)(C)CNC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000582802512 1072402422 /nfs/dbraw/zinc/40/24/22/1072402422.db2.gz DVMPDYXYQLUDOK-UHFFFAOYSA-N 1 0 387.506 -0.074 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000582807695 1072402457 /nfs/dbraw/zinc/40/24/57/1072402457.db2.gz AWWDGCKUQUCBII-UHFFFAOYSA-N 1 0 393.506 -0.762 20 0 GBADRO O=C(NCCCN1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582808480 1072402058 /nfs/dbraw/zinc/40/20/58/1072402058.db2.gz OCVVWMPSHUZYHP-DLBZAZTESA-N 1 0 382.505 -0.681 20 0 GBADRO O=C(NCCCN1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582808481 1072402403 /nfs/dbraw/zinc/40/24/03/1072402403.db2.gz OCVVWMPSHUZYHP-IAGOWNOFSA-N 1 0 382.505 -0.681 20 0 GBADRO O=C(NCCCN1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582808482 1072402367 /nfs/dbraw/zinc/40/23/67/1072402367.db2.gz OCVVWMPSHUZYHP-IRXDYDNUSA-N 1 0 382.505 -0.681 20 0 GBADRO O=C(NCCCN1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582808483 1072402150 /nfs/dbraw/zinc/40/21/50/1072402150.db2.gz OCVVWMPSHUZYHP-SJORKVTESA-N 1 0 382.505 -0.681 20 0 GBADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000582821948 1072404264 /nfs/dbraw/zinc/40/42/64/1072404264.db2.gz TWDYYECOOUMKGC-BARDWOONSA-N 1 0 386.518 -0.339 20 0 GBADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000582821949 1072403995 /nfs/dbraw/zinc/40/39/95/1072403995.db2.gz TWDYYECOOUMKGC-KBUPBQIOSA-N 1 0 386.518 -0.339 20 0 GBADRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000582821950 1072404283 /nfs/dbraw/zinc/40/42/83/1072404283.db2.gz TWDYYECOOUMKGC-LXTVHRRPSA-N 1 0 386.518 -0.339 20 0 GBADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000582821951 1072403989 /nfs/dbraw/zinc/40/39/89/1072403989.db2.gz TWDYYECOOUMKGC-TUVASFSCSA-N 1 0 386.518 -0.339 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000582831411 1072405108 /nfs/dbraw/zinc/40/51/08/1072405108.db2.gz ALZUJLPJFCZXBZ-CVEARBPZSA-N 1 0 379.505 -0.650 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000582832596 1072405722 /nfs/dbraw/zinc/40/57/22/1072405722.db2.gz SPZPYLAKWCKGEK-UHFFFAOYSA-N 1 0 396.536 -0.208 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000582835564 1072405739 /nfs/dbraw/zinc/40/57/39/1072405739.db2.gz RGBGKJQCYAQSDG-KRWDZBQOSA-N 1 0 380.537 -0.380 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000582835565 1072405692 /nfs/dbraw/zinc/40/56/92/1072405692.db2.gz RGBGKJQCYAQSDG-QGZVFWFLSA-N 1 0 380.537 -0.380 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCNC(C)=O)cn2)CC1 ZINC000582836155 1072405631 /nfs/dbraw/zinc/40/56/31/1072405631.db2.gz OPIJEFUXAIOFGO-UHFFFAOYSA-N 1 0 390.488 -0.518 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@H](O)Cn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000582840437 1072406604 /nfs/dbraw/zinc/40/66/04/1072406604.db2.gz ZVGNUGBVAHHJEF-INIZCTEOSA-N 1 0 394.501 -0.619 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@@H](O)Cn1cccn1)N1CCN(c2ccccn2)CC1 ZINC000582840438 1072406644 /nfs/dbraw/zinc/40/66/44/1072406644.db2.gz ZVGNUGBVAHHJEF-MRXNPFEDSA-N 1 0 394.501 -0.619 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1=O ZINC000582843589 1072407367 /nfs/dbraw/zinc/40/73/67/1072407367.db2.gz PHCDAFROYRSRIQ-NEPJUHHUSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1=O ZINC000582843590 1072407846 /nfs/dbraw/zinc/40/78/46/1072407846.db2.gz PHCDAFROYRSRIQ-NWDGAFQWSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1=O ZINC000582843591 1072407506 /nfs/dbraw/zinc/40/75/06/1072407506.db2.gz PHCDAFROYRSRIQ-RYUDHWBXSA-N 1 0 394.453 -0.376 20 0 GBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1=O ZINC000582843592 1072407446 /nfs/dbraw/zinc/40/74/46/1072407446.db2.gz PHCDAFROYRSRIQ-VXGBXAGGSA-N 1 0 394.453 -0.376 20 0 GBADRO COC[C@]1(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[NH2+]C1 ZINC000582843609 1072407813 /nfs/dbraw/zinc/40/78/13/1072407813.db2.gz QESSTMVKQBOWCD-KRWDZBQOSA-N 1 0 385.486 -0.458 20 0 GBADRO COC[C@@]1(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[NH2+]C1 ZINC000582843610 1072407553 /nfs/dbraw/zinc/40/75/53/1072407553.db2.gz QESSTMVKQBOWCD-QGZVFWFLSA-N 1 0 385.486 -0.458 20 0 GBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c1OC ZINC000582845271 530328925 /nfs/dbraw/zinc/32/89/25/530328925.db2.gz NFNUFGJZXBSUHV-LLVKDONJSA-N 1 0 390.893 -0.110 20 0 GBADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1OC ZINC000582845272 530329019 /nfs/dbraw/zinc/32/90/19/530329019.db2.gz NFNUFGJZXBSUHV-NSHDSACASA-N 1 0 390.893 -0.110 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)c(F)c1 ZINC000582846234 1072406458 /nfs/dbraw/zinc/40/64/58/1072406458.db2.gz XRRACHWYOFUNOR-UONOGXRCSA-N 1 0 394.447 -0.277 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)c(F)c1 ZINC000582846239 1072406803 /nfs/dbraw/zinc/40/68/03/1072406803.db2.gz XRRACHWYOFUNOR-ZIAGYGMSSA-N 1 0 394.447 -0.277 20 0 GBADRO COCCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582846491 1072406798 /nfs/dbraw/zinc/40/67/98/1072406798.db2.gz QFVFXCXDLPCSHP-IKGGRYGDSA-N 1 0 387.546 -0.030 20 0 GBADRO COCCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582846492 1072406729 /nfs/dbraw/zinc/40/67/29/1072406729.db2.gz QFVFXCXDLPCSHP-IXDOHACOSA-N 1 0 387.546 -0.030 20 0 GBADRO COCCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582846493 1072406776 /nfs/dbraw/zinc/40/67/76/1072406776.db2.gz QFVFXCXDLPCSHP-ULQDDVLXSA-N 1 0 387.546 -0.030 20 0 GBADRO COCCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582846494 1072406830 /nfs/dbraw/zinc/40/68/30/1072406830.db2.gz QFVFXCXDLPCSHP-YESZJQIVSA-N 1 0 387.546 -0.030 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[C@H](C)C1 ZINC000582847413 530329166 /nfs/dbraw/zinc/32/91/66/530329166.db2.gz NQWSUMVLQYTPFT-CYBMUJFWSA-N 1 0 375.491 -0.751 20 0 GBADRO COC(=O)CCN1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)[C@@H](C)C1 ZINC000582847414 530329083 /nfs/dbraw/zinc/32/90/83/530329083.db2.gz NQWSUMVLQYTPFT-ZDUSSCGKSA-N 1 0 375.491 -0.751 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000582861657 1072408873 /nfs/dbraw/zinc/40/88/73/1072408873.db2.gz CAYGLFDVBGETJA-HNNXBMFYSA-N 1 0 390.488 -0.250 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000582861658 1072408443 /nfs/dbraw/zinc/40/84/43/1072408443.db2.gz CAYGLFDVBGETJA-OAHLLOKOSA-N 1 0 390.488 -0.250 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000582866777 1072409348 /nfs/dbraw/zinc/40/93/48/1072409348.db2.gz YNKHMCONBWDWRY-UHFFFAOYSA-N 1 0 381.521 -0.495 20 0 GBADRO CCOC(=O)c1cc(NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)c(F)cc1C ZINC000582893162 1072412962 /nfs/dbraw/zinc/41/29/62/1072412962.db2.gz QUIABGLJBOVVKM-UHFFFAOYSA-N 1 0 394.403 -0.203 20 0 GBADRO Cc1c(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cnn1C ZINC000582894089 1072412374 /nfs/dbraw/zinc/41/23/74/1072412374.db2.gz ZXNAHFUGGKHWDA-UHFFFAOYSA-N 1 0 385.472 -0.192 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000582894090 1072411957 /nfs/dbraw/zinc/41/19/57/1072411957.db2.gz ADXIIKKTYYGNBT-GOSISDBHSA-N 1 0 388.516 -0.072 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000582894091 1072411940 /nfs/dbraw/zinc/41/19/40/1072411940.db2.gz ADXIIKKTYYGNBT-SFHVURJKSA-N 1 0 388.516 -0.072 20 0 GBADRO COc1cc(OC)c(CCNC(=O)NCC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000582894305 1072413200 /nfs/dbraw/zinc/41/32/00/1072413200.db2.gz LXTSNVKGJVABOC-UHFFFAOYSA-N 1 0 380.445 -0.014 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000582894559 530329205 /nfs/dbraw/zinc/32/92/05/530329205.db2.gz DRACVFHUDWIKDB-NEPJUHHUSA-N 1 0 383.465 -0.056 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582894568 530329202 /nfs/dbraw/zinc/32/92/02/530329202.db2.gz DRACVFHUDWIKDB-NWDGAFQWSA-N 1 0 383.465 -0.056 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000582894569 530329021 /nfs/dbraw/zinc/32/90/21/530329021.db2.gz DRACVFHUDWIKDB-RYUDHWBXSA-N 1 0 383.465 -0.056 20 0 GBADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582894571 530329061 /nfs/dbraw/zinc/32/90/61/530329061.db2.gz DRACVFHUDWIKDB-VXGBXAGGSA-N 1 0 383.465 -0.056 20 0 GBADRO CCOC(=O)COc1ccc(CCNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000582894991 1072411990 /nfs/dbraw/zinc/41/19/90/1072411990.db2.gz VBWUPLNLKFZTKA-UHFFFAOYSA-N 1 0 392.456 -0.098 20 0 GBADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)c(C)c1 ZINC000582895522 1072412016 /nfs/dbraw/zinc/41/20/16/1072412016.db2.gz ZULZHBKJMUEWGF-HNNXBMFYSA-N 1 0 388.468 -0.170 20 0 GBADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)c(C)c1 ZINC000582895523 1072411961 /nfs/dbraw/zinc/41/19/61/1072411961.db2.gz ZULZHBKJMUEWGF-OAHLLOKOSA-N 1 0 388.468 -0.170 20 0 GBADRO O=C(NCC(=O)N1CC[NH2+]CC1)C(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000582895664 1072411947 /nfs/dbraw/zinc/41/19/47/1072411947.db2.gz JIEGLJNFHOCUQK-UHFFFAOYSA-N 1 0 396.875 -0.401 20 0 GBADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000582899296 1072413141 /nfs/dbraw/zinc/41/31/41/1072413141.db2.gz NDDOWPXDCNBQBI-INIZCTEOSA-N 1 0 393.532 -0.223 20 0 GBADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000582899297 1072412949 /nfs/dbraw/zinc/41/29/49/1072412949.db2.gz NDDOWPXDCNBQBI-MRXNPFEDSA-N 1 0 393.532 -0.223 20 0 GBADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000582899320 1072413272 /nfs/dbraw/zinc/41/32/72/1072413272.db2.gz RYRWCUSNHOJUEY-CORIIIEPSA-N 1 0 398.460 -0.771 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000582899321 1072413358 /nfs/dbraw/zinc/41/33/58/1072413358.db2.gz RYRWCUSNHOJUEY-OSAQELSMSA-N 1 0 398.460 -0.771 20 0 GBADRO O=C(N1CC(S(=O)(=O)N2CCNCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000582904332 1072412892 /nfs/dbraw/zinc/41/28/92/1072412892.db2.gz MVHSDYMYWYVQHT-GOSISDBHSA-N 1 0 378.498 -0.637 20 0 GBADRO O=C(N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000582904333 1072413428 /nfs/dbraw/zinc/41/34/28/1072413428.db2.gz MVHSDYMYWYVQHT-SFHVURJKSA-N 1 0 378.498 -0.637 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000582904369 1072412803 /nfs/dbraw/zinc/41/28/03/1072412803.db2.gz OELOPNIULDRQMI-INIZCTEOSA-N 1 0 396.513 -0.594 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000582904370 1072413385 /nfs/dbraw/zinc/41/33/85/1072413385.db2.gz OELOPNIULDRQMI-MRXNPFEDSA-N 1 0 396.513 -0.594 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000582905713 1072413940 /nfs/dbraw/zinc/41/39/40/1072413940.db2.gz AIPNAYWGVRBRMR-HNNXBMFYSA-N 1 0 384.477 -0.048 20 0 GBADRO CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000582905714 1072414073 /nfs/dbraw/zinc/41/40/73/1072414073.db2.gz AIPNAYWGVRBRMR-OAHLLOKOSA-N 1 0 384.477 -0.048 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000582906182 1072413949 /nfs/dbraw/zinc/41/39/49/1072413949.db2.gz KZZWPOHRWNMOFW-QAPCUYQASA-N 1 0 394.497 -0.272 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC12CCOCC2 ZINC000582909948 1072415131 /nfs/dbraw/zinc/41/51/31/1072415131.db2.gz BOBPTGXVACSGGO-DLBZAZTESA-N 1 0 394.516 -0.619 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC12CCOCC2 ZINC000582909949 1072414785 /nfs/dbraw/zinc/41/47/85/1072414785.db2.gz BOBPTGXVACSGGO-IAGOWNOFSA-N 1 0 394.516 -0.619 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC12CCOCC2 ZINC000582909950 1072414829 /nfs/dbraw/zinc/41/48/29/1072414829.db2.gz BOBPTGXVACSGGO-IRXDYDNUSA-N 1 0 394.516 -0.619 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC12CCOCC2 ZINC000582909951 1072415103 /nfs/dbraw/zinc/41/51/03/1072415103.db2.gz BOBPTGXVACSGGO-SJORKVTESA-N 1 0 394.516 -0.619 20 0 GBADRO CC[NH+](CC)CCSCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000582909960 530329110 /nfs/dbraw/zinc/32/91/10/530329110.db2.gz BXEYCKSBMDUXDS-UHFFFAOYSA-N 1 0 378.564 -0.493 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582910671 1072414930 /nfs/dbraw/zinc/41/49/30/1072414930.db2.gz CACGJAOQFFFWBF-UHFFFAOYSA-N 1 0 388.534 -0.106 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582911725 1072414966 /nfs/dbraw/zinc/41/49/66/1072414966.db2.gz YBOFSNKTEZTLMW-INIZCTEOSA-N 1 0 393.532 -0.271 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582911728 1072414814 /nfs/dbraw/zinc/41/48/14/1072414814.db2.gz YBOFSNKTEZTLMW-MRXNPFEDSA-N 1 0 393.532 -0.271 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C[NH+]1CCCC1 ZINC000582911897 1072415108 /nfs/dbraw/zinc/41/51/08/1072415108.db2.gz SCWWHJULCGEFTF-UHFFFAOYSA-N 1 0 395.533 0.007 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@]23CCNC3=O)cc1 ZINC000582913579 1072414729 /nfs/dbraw/zinc/41/47/29/1072414729.db2.gz MTHCAWYRTDCSDM-GOSISDBHSA-N 1 0 394.497 -0.263 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@]23CCNC3=O)cc1 ZINC000582913580 1072414797 /nfs/dbraw/zinc/41/47/97/1072414797.db2.gz MTHCAWYRTDCSDM-SFHVURJKSA-N 1 0 394.497 -0.263 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000582914485 1072414948 /nfs/dbraw/zinc/41/49/48/1072414948.db2.gz CPVBJCLHCOXLMA-DZGCQCFKSA-N 1 0 395.485 -0.773 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000582914487 1072414756 /nfs/dbraw/zinc/41/47/56/1072414756.db2.gz CPVBJCLHCOXLMA-HIFRSBDPSA-N 1 0 395.485 -0.773 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000582914489 1072414676 /nfs/dbraw/zinc/41/46/76/1072414676.db2.gz CPVBJCLHCOXLMA-UKRRQHHQSA-N 1 0 395.485 -0.773 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000582914490 1072415111 /nfs/dbraw/zinc/41/51/11/1072415111.db2.gz CPVBJCLHCOXLMA-ZFWWWQNUSA-N 1 0 395.485 -0.773 20 0 GBADRO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000582914765 1072413855 /nfs/dbraw/zinc/41/38/55/1072413855.db2.gz GLRIXLLVSDNUMS-KBPBESRZSA-N 1 0 397.439 -0.407 20 0 GBADRO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000582914767 1072414152 /nfs/dbraw/zinc/41/41/52/1072414152.db2.gz GLRIXLLVSDNUMS-KGLIPLIRSA-N 1 0 397.439 -0.407 20 0 GBADRO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000582914768 1072414017 /nfs/dbraw/zinc/41/40/17/1072414017.db2.gz GLRIXLLVSDNUMS-UONOGXRCSA-N 1 0 397.439 -0.407 20 0 GBADRO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000582914769 1072413892 /nfs/dbraw/zinc/41/38/92/1072413892.db2.gz GLRIXLLVSDNUMS-ZIAGYGMSSA-N 1 0 397.439 -0.407 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915037 1072414994 /nfs/dbraw/zinc/41/49/94/1072414994.db2.gz JEBYSLZATWNZNB-DLBZAZTESA-N 1 0 385.468 -0.561 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915038 1072415123 /nfs/dbraw/zinc/41/51/23/1072415123.db2.gz JEBYSLZATWNZNB-IAGOWNOFSA-N 1 0 385.468 -0.561 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915039 1072414972 /nfs/dbraw/zinc/41/49/72/1072414972.db2.gz JEBYSLZATWNZNB-IRXDYDNUSA-N 1 0 385.468 -0.561 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CCN2C1=O ZINC000582915040 1072414838 /nfs/dbraw/zinc/41/48/38/1072414838.db2.gz JEBYSLZATWNZNB-SJORKVTESA-N 1 0 385.468 -0.561 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](C)Cn3cccn3)C2)CC1 ZINC000582920072 1072416747 /nfs/dbraw/zinc/41/67/47/1072416747.db2.gz GJLUAMNRCNTZDE-DLBZAZTESA-N 1 0 376.505 -0.126 20 0 GBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)Cn3cccn3)C2)CC1 ZINC000582920073 1072416798 /nfs/dbraw/zinc/41/67/98/1072416798.db2.gz GJLUAMNRCNTZDE-IAGOWNOFSA-N 1 0 376.505 -0.126 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)Cn3cccn3)C2)CC1 ZINC000582920074 1072416872 /nfs/dbraw/zinc/41/68/72/1072416872.db2.gz GJLUAMNRCNTZDE-IRXDYDNUSA-N 1 0 376.505 -0.126 20 0 GBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)Cn3cccn3)C2)CC1 ZINC000582920075 1072416843 /nfs/dbraw/zinc/41/68/43/1072416843.db2.gz GJLUAMNRCNTZDE-SJORKVTESA-N 1 0 376.505 -0.126 20 0 GBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000582922363 1072416103 /nfs/dbraw/zinc/41/61/03/1072416103.db2.gz UQAGTUMZNBSORU-UHFFFAOYSA-N 1 0 398.467 -0.257 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582924178 1072416036 /nfs/dbraw/zinc/41/60/36/1072416036.db2.gz KYWSIOLBUAHRRC-DKUMPPAJSA-N 1 0 386.518 -0.342 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000582924179 1072415596 /nfs/dbraw/zinc/41/55/96/1072415596.db2.gz KYWSIOLBUAHRRC-JALIKCBVSA-N 1 0 386.518 -0.342 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000582925972 1072416537 /nfs/dbraw/zinc/41/65/37/1072416537.db2.gz ATOQVFIRHPRHMD-DLBZAZTESA-N 1 0 398.548 -0.093 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000582925974 1072416628 /nfs/dbraw/zinc/41/66/28/1072416628.db2.gz ATOQVFIRHPRHMD-IAGOWNOFSA-N 1 0 398.548 -0.093 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000582925975 1072416810 /nfs/dbraw/zinc/41/68/10/1072416810.db2.gz ATOQVFIRHPRHMD-IRXDYDNUSA-N 1 0 398.548 -0.093 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000582925976 1072416466 /nfs/dbraw/zinc/41/64/66/1072416466.db2.gz ATOQVFIRHPRHMD-SJORKVTESA-N 1 0 398.548 -0.093 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000582928799 1072417508 /nfs/dbraw/zinc/41/75/08/1072417508.db2.gz RNKPNHFVRFWFHF-UHFFFAOYSA-N 1 0 396.532 -0.027 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC2)CC1 ZINC000582929499 1072417715 /nfs/dbraw/zinc/41/77/15/1072417715.db2.gz GFMQHXNCTGQQIG-HAWMADMCSA-N 1 0 386.562 -0.113 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C[S@@](C)=O)CC2)CC1 ZINC000582929501 1072417775 /nfs/dbraw/zinc/41/77/75/1072417775.db2.gz GFMQHXNCTGQQIG-PVPMGCCUSA-N 1 0 386.562 -0.113 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)C[S@@](C)=O)CC2)CC1 ZINC000582929503 1072417796 /nfs/dbraw/zinc/41/77/96/1072417796.db2.gz GFMQHXNCTGQQIG-QWXGXRTQSA-N 1 0 386.562 -0.113 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C[S@](C)=O)CC2)CC1 ZINC000582929505 1072417802 /nfs/dbraw/zinc/41/78/02/1072417802.db2.gz GFMQHXNCTGQQIG-WZQKQDCOSA-N 1 0 386.562 -0.113 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000582950597 1072419629 /nfs/dbraw/zinc/41/96/29/1072419629.db2.gz RNZSCPSZCCTVDH-CWRNSKLLSA-N 1 0 377.489 -0.008 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000582950598 1072419198 /nfs/dbraw/zinc/41/91/98/1072419198.db2.gz RNZSCPSZCCTVDH-FVQBIDKESA-N 1 0 377.489 -0.008 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000582950599 1072419610 /nfs/dbraw/zinc/41/96/10/1072419610.db2.gz RNZSCPSZCCTVDH-NUEKZKHPSA-N 1 0 377.489 -0.008 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000582950600 1072419436 /nfs/dbraw/zinc/41/94/36/1072419436.db2.gz RNZSCPSZCCTVDH-VNQPRFMTSA-N 1 0 377.489 -0.008 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000582952681 1072419515 /nfs/dbraw/zinc/41/95/15/1072419515.db2.gz ZUQYBMJVXSYNMB-HNNXBMFYSA-N 1 0 385.468 -0.108 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000582952682 1072419228 /nfs/dbraw/zinc/41/92/28/1072419228.db2.gz ZUQYBMJVXSYNMB-OAHLLOKOSA-N 1 0 385.468 -0.108 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)N1CCc2sccc2C1 ZINC000582954224 1072419449 /nfs/dbraw/zinc/41/94/49/1072419449.db2.gz GEZGIJPCHGJNDQ-CYBMUJFWSA-N 1 0 393.513 -0.841 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)N1CCc2sccc2C1 ZINC000582954229 1072419561 /nfs/dbraw/zinc/41/95/61/1072419561.db2.gz GEZGIJPCHGJNDQ-ZDUSSCGKSA-N 1 0 393.513 -0.841 20 0 GBADRO COC[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CCC[NH2+]1 ZINC000582954741 1072419526 /nfs/dbraw/zinc/41/95/26/1072419526.db2.gz URJRVWTYRCZDBS-KRWDZBQOSA-N 1 0 397.501 -0.134 20 0 GBADRO COC[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CCC[NH2+]1 ZINC000582954742 1072419241 /nfs/dbraw/zinc/41/92/41/1072419241.db2.gz URJRVWTYRCZDBS-QGZVFWFLSA-N 1 0 397.501 -0.134 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000582955038 1072419658 /nfs/dbraw/zinc/41/96/58/1072419658.db2.gz UDILLLRNSNADMX-UHFFFAOYSA-N 1 0 397.501 -0.581 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000582957633 530329015 /nfs/dbraw/zinc/32/90/15/530329015.db2.gz ZKKGXJUYDVKYPO-UHFFFAOYSA-N 1 0 377.555 -0.496 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N2CCCSCC2)(N2CCOCC2)CC1 ZINC000582958496 1072419979 /nfs/dbraw/zinc/41/99/79/1072419979.db2.gz MYRSZULIIANZBV-UHFFFAOYSA-N 1 0 384.546 -0.135 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000582961418 1072419552 /nfs/dbraw/zinc/41/95/52/1072419552.db2.gz DJXOWJZRJOAHEV-HNNXBMFYSA-N 1 0 377.493 -0.344 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000582961419 1072419621 /nfs/dbraw/zinc/41/96/21/1072419621.db2.gz DJXOWJZRJOAHEV-OAHLLOKOSA-N 1 0 377.493 -0.344 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582963027 1072419964 /nfs/dbraw/zinc/41/99/64/1072419964.db2.gz NJFANYSTJLEVTR-BPUTZDHNSA-N 1 0 380.468 -0.341 20 0 GBADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582963052 1072420244 /nfs/dbraw/zinc/42/02/44/1072420244.db2.gz NJFANYSTJLEVTR-CWRNSKLLSA-N 1 0 380.468 -0.341 20 0 GBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000582964727 1072420152 /nfs/dbraw/zinc/42/01/52/1072420152.db2.gz LMSJVYZVPWJRPG-GFCCVEGCSA-N 1 0 380.449 -0.678 20 0 GBADRO CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000582964735 1072420367 /nfs/dbraw/zinc/42/03/67/1072420367.db2.gz LMSJVYZVPWJRPG-LBPRGKRZSA-N 1 0 380.449 -0.678 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000582965520 1072420019 /nfs/dbraw/zinc/42/00/19/1072420019.db2.gz SSEGHPCDABFJAF-IGQOVBAYSA-N 1 0 394.476 -0.301 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000582965521 1072419945 /nfs/dbraw/zinc/41/99/45/1072419945.db2.gz SSEGHPCDABFJAF-RFQIPJPRSA-N 1 0 394.476 -0.301 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000582965522 1072420146 /nfs/dbraw/zinc/42/01/46/1072420146.db2.gz SSEGHPCDABFJAF-XDQVBPFNSA-N 1 0 394.476 -0.301 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000582965523 1072420350 /nfs/dbraw/zinc/42/03/50/1072420350.db2.gz SSEGHPCDABFJAF-XUXIUFHCSA-N 1 0 394.476 -0.301 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000582969291 1072420210 /nfs/dbraw/zinc/42/02/10/1072420210.db2.gz XMOGOLSWINXLCV-DLBZAZTESA-N 1 0 398.529 -0.276 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000582969292 1072420332 /nfs/dbraw/zinc/42/03/32/1072420332.db2.gz XMOGOLSWINXLCV-IAGOWNOFSA-N 1 0 398.529 -0.276 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000582969293 1072420062 /nfs/dbraw/zinc/42/00/62/1072420062.db2.gz XMOGOLSWINXLCV-IRXDYDNUSA-N 1 0 398.529 -0.276 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000582969294 1072420269 /nfs/dbraw/zinc/42/02/69/1072420269.db2.gz XMOGOLSWINXLCV-SJORKVTESA-N 1 0 398.529 -0.276 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976505 1072421071 /nfs/dbraw/zinc/42/10/71/1072421071.db2.gz PYYBOXKRZHYDHJ-NEPJUHHUSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976512 1072421097 /nfs/dbraw/zinc/42/10/97/1072421097.db2.gz PYYBOXKRZHYDHJ-NWDGAFQWSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976513 1072420951 /nfs/dbraw/zinc/42/09/51/1072420951.db2.gz PYYBOXKRZHYDHJ-RYUDHWBXSA-N 1 0 381.820 -1.000 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc(Cl)cn3)CCN2C1=O ZINC000582976514 1072421195 /nfs/dbraw/zinc/42/11/95/1072421195.db2.gz PYYBOXKRZHYDHJ-VXGBXAGGSA-N 1 0 381.820 -1.000 20 0 GBADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000582979214 1072421726 /nfs/dbraw/zinc/42/17/26/1072421726.db2.gz UVDJZDFCOOMQML-IAGOWNOFSA-N 1 0 385.468 -0.101 20 0 GBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000582983597 1072421037 /nfs/dbraw/zinc/42/10/37/1072421037.db2.gz WPANNVVRKRUIEN-DOTOQJQBSA-N 1 0 380.489 -0.854 20 0 GBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000582983603 1072420878 /nfs/dbraw/zinc/42/08/78/1072420878.db2.gz WPANNVVRKRUIEN-NVXWUHKLSA-N 1 0 380.489 -0.854 20 0 GBADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000582983604 1072421119 /nfs/dbraw/zinc/42/11/19/1072421119.db2.gz WPANNVVRKRUIEN-RDJZCZTQSA-N 1 0 380.489 -0.854 20 0 GBADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000582983605 1072420980 /nfs/dbraw/zinc/42/09/80/1072420980.db2.gz WPANNVVRKRUIEN-WBVHZDCISA-N 1 0 380.489 -0.854 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000582985470 1072422019 /nfs/dbraw/zinc/42/20/19/1072422019.db2.gz WSPGQMZMOYVRLY-INIZCTEOSA-N 1 0 398.504 -0.691 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C(=O)N1CCOCC1 ZINC000582985471 1072422063 /nfs/dbraw/zinc/42/20/63/1072422063.db2.gz WSPGQMZMOYVRLY-MRXNPFEDSA-N 1 0 398.504 -0.691 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCCO1 ZINC000582986353 1072421957 /nfs/dbraw/zinc/42/19/57/1072421957.db2.gz SARHKOHRKCGZJP-BZUAXINKSA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCCO1 ZINC000582986354 1072421877 /nfs/dbraw/zinc/42/18/77/1072421877.db2.gz SARHKOHRKCGZJP-OAGGEKHMSA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCCO1 ZINC000582986355 1072421918 /nfs/dbraw/zinc/42/19/18/1072421918.db2.gz SARHKOHRKCGZJP-OWCLPIDISA-N 1 0 380.489 -0.127 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCCO1 ZINC000582986356 1072422041 /nfs/dbraw/zinc/42/20/41/1072422041.db2.gz SARHKOHRKCGZJP-PMPSAXMXSA-N 1 0 380.489 -0.127 20 0 GBADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000583014523 1072423615 /nfs/dbraw/zinc/42/36/15/1072423615.db2.gz GURZHTYEOBFHCP-KRWDZBQOSA-N 1 0 380.537 -0.334 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000583014524 1072423632 /nfs/dbraw/zinc/42/36/32/1072423632.db2.gz GURZHTYEOBFHCP-QGZVFWFLSA-N 1 0 380.537 -0.334 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000583014650 1072423691 /nfs/dbraw/zinc/42/36/91/1072423691.db2.gz YQJRRAOMUBVRCL-DOTOQJQBSA-N 1 0 392.431 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000583014651 1072423770 /nfs/dbraw/zinc/42/37/70/1072423770.db2.gz YQJRRAOMUBVRCL-NVXWUHKLSA-N 1 0 392.431 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000583014652 1072423579 /nfs/dbraw/zinc/42/35/79/1072423579.db2.gz YQJRRAOMUBVRCL-RDJZCZTQSA-N 1 0 392.431 -0.290 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000583014653 1072423560 /nfs/dbraw/zinc/42/35/60/1072423560.db2.gz YQJRRAOMUBVRCL-WBVHZDCISA-N 1 0 392.431 -0.290 20 0 GBADRO CC(=O)Nc1cccc(OCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000583014663 1072423727 /nfs/dbraw/zinc/42/37/27/1072423727.db2.gz CJUSIYDJAHIIIZ-HNNXBMFYSA-N 1 0 377.445 -0.759 20 0 GBADRO CC(=O)Nc1cccc(OCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000583014664 1072423803 /nfs/dbraw/zinc/42/38/03/1072423803.db2.gz CJUSIYDJAHIIIZ-OAHLLOKOSA-N 1 0 377.445 -0.759 20 0 GBADRO COc1cc(CN(C)C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1SC ZINC000583014990 1072423713 /nfs/dbraw/zinc/42/37/13/1072423713.db2.gz AHKFQBKGFODQTA-UHFFFAOYSA-N 1 0 394.497 -0.077 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000583015080 1072423745 /nfs/dbraw/zinc/42/37/45/1072423745.db2.gz NOXZGTFZWWSTKN-HNNXBMFYSA-N 1 0 388.534 -0.045 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000583015083 1072423535 /nfs/dbraw/zinc/42/35/35/1072423535.db2.gz NOXZGTFZWWSTKN-OAHLLOKOSA-N 1 0 388.534 -0.045 20 0 GBADRO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000583016585 1072424759 /nfs/dbraw/zinc/42/47/59/1072424759.db2.gz ZGCSLICLBWAUSU-HIFRSBDPSA-N 1 0 390.488 -0.271 20 0 GBADRO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000583016586 1072424771 /nfs/dbraw/zinc/42/47/71/1072424771.db2.gz ZGCSLICLBWAUSU-UKRRQHHQSA-N 1 0 390.488 -0.271 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)[C@@H](C[NH3+])C1 ZINC000583018993 1072424701 /nfs/dbraw/zinc/42/47/01/1072424701.db2.gz UZLRMNGIBZNGBI-KBPBESRZSA-N 1 0 379.436 -0.308 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)[C@H](C[NH3+])C1 ZINC000583018994 1072424784 /nfs/dbraw/zinc/42/47/84/1072424784.db2.gz UZLRMNGIBZNGBI-KGLIPLIRSA-N 1 0 379.436 -0.308 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)[C@@H](C[NH3+])C1 ZINC000583018995 1072424818 /nfs/dbraw/zinc/42/48/18/1072424818.db2.gz UZLRMNGIBZNGBI-UONOGXRCSA-N 1 0 379.436 -0.308 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)[C@H](C[NH3+])C1 ZINC000583018996 1072424667 /nfs/dbraw/zinc/42/46/67/1072424667.db2.gz UZLRMNGIBZNGBI-ZIAGYGMSSA-N 1 0 379.436 -0.308 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000583019000 1072424634 /nfs/dbraw/zinc/42/46/34/1072424634.db2.gz VJJYUMBSOYXRSN-KRWDZBQOSA-N 1 0 387.484 -0.491 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000583019001 1072424812 /nfs/dbraw/zinc/42/48/12/1072424812.db2.gz VJJYUMBSOYXRSN-QGZVFWFLSA-N 1 0 387.484 -0.491 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000583019536 1072424426 /nfs/dbraw/zinc/42/44/26/1072424426.db2.gz BWEFBJVIRNODRP-AWEZNQCLSA-N 1 0 399.473 -0.714 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000583019537 1072424493 /nfs/dbraw/zinc/42/44/93/1072424493.db2.gz BWEFBJVIRNODRP-CQSZACIVSA-N 1 0 399.473 -0.714 20 0 GBADRO CCOC(=O)c1ccc(N2CC([NH2+]CC3(O)CCS(=O)(=O)CC3)C2)nc1 ZINC000583020562 1072424611 /nfs/dbraw/zinc/42/46/11/1072424611.db2.gz KEZYNILBHVWCRP-UHFFFAOYSA-N 1 0 383.470 -0.024 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000583022171 1072424725 /nfs/dbraw/zinc/42/47/25/1072424725.db2.gz XVNYKIVEGXLRON-UHFFFAOYSA-N 1 0 398.463 -0.192 20 0 GBADRO CCc1ccccc1NC(=O)CNC(=O)CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000583022974 1072425405 /nfs/dbraw/zinc/42/54/05/1072425405.db2.gz NFQJYZYZLNLWNJ-UHFFFAOYSA-N 1 0 387.440 -0.022 20 0 GBADRO C[C@@H]([NH3+])C1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000583023460 1072425414 /nfs/dbraw/zinc/42/54/14/1072425414.db2.gz SGSSXHVIJDZKRG-GFCCVEGCSA-N 1 0 388.472 0.577 20 0 GBADRO C[C@H]([NH3+])C1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000583023461 1072425168 /nfs/dbraw/zinc/42/51/68/1072425168.db2.gz SGSSXHVIJDZKRG-LBPRGKRZSA-N 1 0 388.472 0.577 20 0 GBADRO Cn1ncnc1COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000583024226 1072425705 /nfs/dbraw/zinc/42/57/05/1072425705.db2.gz PVXHWGXBRRWNJX-UHFFFAOYSA-N 1 0 394.457 -0.896 20 0 GBADRO COCC[NH2+]C1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000583029260 1072426516 /nfs/dbraw/zinc/42/65/16/1072426516.db2.gz HXFAPIGWEAQBJG-UHFFFAOYSA-N 1 0 395.504 -0.332 20 0 GBADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000583030286 1072426263 /nfs/dbraw/zinc/42/62/63/1072426263.db2.gz MNUBXODZJMOTHS-INIZCTEOSA-N 1 0 381.521 -0.401 20 0 GBADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000583030288 1072426178 /nfs/dbraw/zinc/42/61/78/1072426178.db2.gz MNUBXODZJMOTHS-MRXNPFEDSA-N 1 0 381.521 -0.401 20 0 GBADRO COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000583032977 1072427315 /nfs/dbraw/zinc/42/73/15/1072427315.db2.gz AMSWXEFKCRSNDS-GFCCVEGCSA-N 1 0 380.445 -0.384 20 0 GBADRO COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000583032978 1072427142 /nfs/dbraw/zinc/42/71/42/1072427142.db2.gz AMSWXEFKCRSNDS-LBPRGKRZSA-N 1 0 380.445 -0.384 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036154 1072427440 /nfs/dbraw/zinc/42/74/40/1072427440.db2.gz AOJBJNAFHJRYTG-CHWSQXEVSA-N 1 0 396.394 -0.283 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036155 1072427116 /nfs/dbraw/zinc/42/71/16/1072427116.db2.gz AOJBJNAFHJRYTG-OLZOCXBDSA-N 1 0 396.394 -0.283 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036156 1072427449 /nfs/dbraw/zinc/42/74/49/1072427449.db2.gz AOJBJNAFHJRYTG-QWHCGFSZSA-N 1 0 396.394 -0.283 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3OC(F)F)CCN2C1=O ZINC000583036157 1072427434 /nfs/dbraw/zinc/42/74/34/1072427434.db2.gz AOJBJNAFHJRYTG-STQMWFEESA-N 1 0 396.394 -0.283 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CCN2C1=O ZINC000583036253 1072427410 /nfs/dbraw/zinc/42/74/10/1072427410.db2.gz GYAMSGBMSVPNPH-KHMAMNHCSA-N 1 0 376.457 -0.779 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CCN2C1=O ZINC000583036254 1072427060 /nfs/dbraw/zinc/42/70/60/1072427060.db2.gz GYAMSGBMSVPNPH-KJWHEZOQSA-N 1 0 376.457 -0.779 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CCN2C1=O ZINC000583036255 1072427203 /nfs/dbraw/zinc/42/72/03/1072427203.db2.gz GYAMSGBMSVPNPH-RYPNDVFKSA-N 1 0 376.457 -0.779 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CCN2C1=O ZINC000583036256 1072427322 /nfs/dbraw/zinc/42/73/22/1072427322.db2.gz GYAMSGBMSVPNPH-XLWJZTARSA-N 1 0 376.457 -0.779 20 0 GBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCOC2(CCCC2)C1 ZINC000583043020 1072428147 /nfs/dbraw/zinc/42/81/47/1072428147.db2.gz SDJKMTMAWGXSSR-UHFFFAOYSA-N 1 0 396.532 -0.336 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583043773 1072427852 /nfs/dbraw/zinc/42/78/52/1072427852.db2.gz AGUBJGOMYPQJDA-CABCVRRESA-N 1 0 388.472 -0.273 20 0 GBADRO CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583043774 1072428021 /nfs/dbraw/zinc/42/80/21/1072428021.db2.gz AGUBJGOMYPQJDA-GJZGRUSLSA-N 1 0 388.472 -0.273 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583043775 1072428259 /nfs/dbraw/zinc/42/82/59/1072428259.db2.gz AGUBJGOMYPQJDA-HUUCEWRRSA-N 1 0 388.472 -0.273 20 0 GBADRO CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583043776 1072427915 /nfs/dbraw/zinc/42/79/15/1072427915.db2.gz AGUBJGOMYPQJDA-LSDHHAIUSA-N 1 0 388.472 -0.273 20 0 GBADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000583070175 1072429931 /nfs/dbraw/zinc/42/99/31/1072429931.db2.gz QRXODLWPDWQJHS-FPCVCCKLSA-N 1 0 390.484 -0.170 20 0 GBADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000583070176 1072429963 /nfs/dbraw/zinc/42/99/63/1072429963.db2.gz QRXODLWPDWQJHS-QXSJWSMHSA-N 1 0 390.484 -0.170 20 0 GBADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000583070177 1072429736 /nfs/dbraw/zinc/42/97/36/1072429736.db2.gz QRXODLWPDWQJHS-XUWVNRHRSA-N 1 0 390.484 -0.170 20 0 GBADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000583070178 1072429923 /nfs/dbraw/zinc/42/99/23/1072429923.db2.gz QRXODLWPDWQJHS-YHUYYLMFSA-N 1 0 390.484 -0.170 20 0 GBADRO Cn1c2ncn(CC(=O)N3CCC[N@H+](CC4CCC4)CC3)c2c(=O)n(C)c1=O ZINC000583070632 1072429881 /nfs/dbraw/zinc/42/98/81/1072429881.db2.gz VOCFFZJJCBERCD-UHFFFAOYSA-N 1 0 388.472 -0.232 20 0 GBADRO C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000583080874 1072430485 /nfs/dbraw/zinc/43/04/85/1072430485.db2.gz AFPJLFZRLQISHB-DOMZBBRYSA-N 1 0 382.486 -0.018 20 0 GBADRO C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000583080875 1072430488 /nfs/dbraw/zinc/43/04/88/1072430488.db2.gz AFPJLFZRLQISHB-IUODEOHRSA-N 1 0 382.486 -0.018 20 0 GBADRO C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000583080876 1072430516 /nfs/dbraw/zinc/43/05/16/1072430516.db2.gz AFPJLFZRLQISHB-SWLSCSKDSA-N 1 0 382.486 -0.018 20 0 GBADRO C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000583080877 1072430496 /nfs/dbraw/zinc/43/04/96/1072430496.db2.gz AFPJLFZRLQISHB-WFASDCNBSA-N 1 0 382.486 -0.018 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000583083165 1072431596 /nfs/dbraw/zinc/43/15/96/1072431596.db2.gz KNHYEPICZJXQCX-AWEZNQCLSA-N 1 0 380.470 -0.555 20 0 GBADRO [NH3+]CC(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000583083167 1072431631 /nfs/dbraw/zinc/43/16/31/1072431631.db2.gz KNHYEPICZJXQCX-CQSZACIVSA-N 1 0 380.470 -0.555 20 0 GBADRO 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CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000583217295 530331243 /nfs/dbraw/zinc/33/12/43/530331243.db2.gz VALTUGDTTHTMTG-AWEZNQCLSA-N 1 0 375.491 -0.749 20 0 GBADRO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000583217296 530331139 /nfs/dbraw/zinc/33/11/39/530331139.db2.gz VALTUGDTTHTMTG-CQSZACIVSA-N 1 0 375.491 -0.749 20 0 GBADRO COc1cccc(NC(=O)CN(C)C(=O)CN2CCC(S(N)(=O)=O)CC2)c1 ZINC000583217464 1072443282 /nfs/dbraw/zinc/44/32/82/1072443282.db2.gz BXMYCPASGSCNAK-UHFFFAOYSA-N 1 0 398.485 -0.155 20 0 GBADRO CCn1cc(CN2CCCN(C(=O)C(=O)Nc3ccc(OC)nn3)CC2)cn1 ZINC000583218163 1072443437 /nfs/dbraw/zinc/44/34/37/1072443437.db2.gz IGYSJHIRAXCFGI-UHFFFAOYSA-N 1 0 387.444 0.375 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220714 1072443755 /nfs/dbraw/zinc/44/37/55/1072443755.db2.gz UWWUGZUTTASITQ-DZGCQCFKSA-N 1 0 380.445 -0.307 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1=O ZINC000583220718 1072444156 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-0.031 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000583249606 1072446802 /nfs/dbraw/zinc/44/68/02/1072446802.db2.gz IGWGRPDUUJWRDL-IXDOHACOSA-N 1 0 391.516 -0.696 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000583249607 1072446367 /nfs/dbraw/zinc/44/63/67/1072446367.db2.gz IGWGRPDUUJWRDL-YESZJQIVSA-N 1 0 391.516 -0.696 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000583250901 1072446561 /nfs/dbraw/zinc/44/65/61/1072446561.db2.gz PBAHVAYWYROQCY-GASCZTMLSA-N 1 0 383.470 -0.518 20 0 GBADRO O=C(CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)N1CC[NH2+]CC1 ZINC000583253024 1072446403 /nfs/dbraw/zinc/44/64/03/1072446403.db2.gz SBIDTTPQBTZMAM-UHFFFAOYSA-N 1 0 375.429 -0.709 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000583254546 1072446431 /nfs/dbraw/zinc/44/64/31/1072446431.db2.gz IJOKARFBCAFECE-KRWDZBQOSA-N 1 0 387.484 -0.106 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000583254548 1072446765 /nfs/dbraw/zinc/44/67/65/1072446765.db2.gz IJOKARFBCAFECE-QGZVFWFLSA-N 1 0 387.484 -0.106 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)ncn1 ZINC000583255591 1072447376 /nfs/dbraw/zinc/44/73/76/1072447376.db2.gz RCJHJNUULBPORM-AWEZNQCLSA-N 1 0 388.472 -0.100 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)ncn1 ZINC000583255592 1072447759 /nfs/dbraw/zinc/44/77/59/1072447759.db2.gz RCJHJNUULBPORM-CQSZACIVSA-N 1 0 388.472 -0.100 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000583257439 1072447719 /nfs/dbraw/zinc/44/77/19/1072447719.db2.gz KSQFSNUPOKMTGD-NRFANRHFSA-N 1 0 398.463 -0.263 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000583257440 1072447668 /nfs/dbraw/zinc/44/76/68/1072447668.db2.gz KSQFSNUPOKMTGD-OAQYLSRUSA-N 1 0 398.463 -0.263 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H](O)CN3CCOCC3)C2)cc1 ZINC000583258741 1072447591 /nfs/dbraw/zinc/44/75/91/1072447591.db2.gz SBMIIMWDEKLHEY-HNNXBMFYSA-N 1 0 385.486 -0.649 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000583258743 1072447420 /nfs/dbraw/zinc/44/74/20/1072447420.db2.gz SBMIIMWDEKLHEY-OAHLLOKOSA-N 1 0 385.486 -0.649 20 0 GBADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000583259693 1072448212 /nfs/dbraw/zinc/44/82/12/1072448212.db2.gz BMEIAUNQZZBRIG-HRCADAONSA-N 1 0 390.488 -0.225 20 0 GBADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000583259700 1072448340 /nfs/dbraw/zinc/44/83/40/1072448340.db2.gz BMEIAUNQZZBRIG-OWCLPIDISA-N 1 0 390.488 -0.225 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[C@H](C)[NH3+] ZINC000583261138 1072448270 /nfs/dbraw/zinc/44/82/70/1072448270.db2.gz GOPJINVKSHFZBV-DZKIICNBSA-N 1 0 388.534 -0.947 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)[NH3+] ZINC000583261139 1072448730 /nfs/dbraw/zinc/44/87/30/1072448730.db2.gz GOPJINVKSHFZBV-FMKPAKJESA-N 1 0 388.534 -0.947 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)[NH3+] ZINC000583261140 1072448251 /nfs/dbraw/zinc/44/82/51/1072448251.db2.gz GOPJINVKSHFZBV-LZWOXQAQSA-N 1 0 388.534 -0.947 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)[NH3+] ZINC000583261141 1072448409 /nfs/dbraw/zinc/44/84/09/1072448409.db2.gz GOPJINVKSHFZBV-YCPHGPKFSA-N 1 0 388.534 -0.947 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1C(=O)N(C)C ZINC000583262887 1072448561 /nfs/dbraw/zinc/44/85/61/1072448561.db2.gz TXIQUKORIWBYLF-UHFFFAOYSA-N 1 0 384.458 -0.893 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000583269597 1072448443 /nfs/dbraw/zinc/44/84/43/1072448443.db2.gz SUILORRTMRWEQM-INIZCTEOSA-N 1 0 382.505 -0.606 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000583269600 1072448582 /nfs/dbraw/zinc/44/85/82/1072448582.db2.gz SUILORRTMRWEQM-MRXNPFEDSA-N 1 0 382.505 -0.606 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000583269710 1072448735 /nfs/dbraw/zinc/44/87/35/1072448735.db2.gz XJIMPEZKOQDXPZ-QLFBSQMISA-N 1 0 398.460 -0.771 20 0 GBADRO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000583269711 1072448633 /nfs/dbraw/zinc/44/86/33/1072448633.db2.gz XJIMPEZKOQDXPZ-SOUVJXGZSA-N 1 0 398.460 -0.771 20 0 GBADRO CCC(CC)(NC(=O)C1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000583272673 1072448306 /nfs/dbraw/zinc/44/83/06/1072448306.db2.gz RYZDYXZZQDUUCI-UHFFFAOYSA-N 1 0 378.477 -0.323 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H]3CCC[C@H]32)CC1 ZINC000583274479 1072449148 /nfs/dbraw/zinc/44/91/48/1072449148.db2.gz DFCBIZUGZFVFOB-CVEARBPZSA-N 1 0 380.489 -0.127 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274806 1072449395 /nfs/dbraw/zinc/44/93/95/1072449395.db2.gz QIJWRJCWXAPYTE-CABCVRRESA-N 1 0 387.419 -0.081 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274807 1072449202 /nfs/dbraw/zinc/44/92/02/1072449202.db2.gz QIJWRJCWXAPYTE-GJZGRUSLSA-N 1 0 387.419 -0.081 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274808 1072449484 /nfs/dbraw/zinc/44/94/84/1072449484.db2.gz QIJWRJCWXAPYTE-HUUCEWRRSA-N 1 0 387.419 -0.081 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CCN2C1=O ZINC000583274809 1072449450 /nfs/dbraw/zinc/44/94/50/1072449450.db2.gz QIJWRJCWXAPYTE-LSDHHAIUSA-N 1 0 387.419 -0.081 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000583277409 1072449621 /nfs/dbraw/zinc/44/96/21/1072449621.db2.gz TWHHYLBPPRFJCD-DLBZAZTESA-N 1 0 376.505 -0.126 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000583277410 1072449435 /nfs/dbraw/zinc/44/94/35/1072449435.db2.gz TWHHYLBPPRFJCD-IAGOWNOFSA-N 1 0 376.505 -0.126 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000583277411 1072449233 /nfs/dbraw/zinc/44/92/33/1072449233.db2.gz TWHHYLBPPRFJCD-IRXDYDNUSA-N 1 0 376.505 -0.126 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCCCn2cccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000583277412 1072449359 /nfs/dbraw/zinc/44/93/59/1072449359.db2.gz TWHHYLBPPRFJCD-SJORKVTESA-N 1 0 376.505 -0.126 20 0 GBADRO CN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000583280002 1072450594 /nfs/dbraw/zinc/45/05/94/1072450594.db2.gz ZAGKABVWZGIPSX-AWEZNQCLSA-N 1 0 381.502 -0.061 20 0 GBADRO CN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000583280003 1072450380 /nfs/dbraw/zinc/45/03/80/1072450380.db2.gz ZAGKABVWZGIPSX-CQSZACIVSA-N 1 0 381.502 -0.061 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C[N@@H+]1C1CC1 ZINC000583282416 1072450250 /nfs/dbraw/zinc/45/02/50/1072450250.db2.gz CGFLXIHJXMUCGI-IPYPFGDCSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C[N@@H+]1C1CC1 ZINC000583282417 1072450496 /nfs/dbraw/zinc/45/04/96/1072450496.db2.gz CGFLXIHJXMUCGI-NFAWXSAZSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[N@@H+]1C1CC1 ZINC000583282418 1072450056 /nfs/dbraw/zinc/45/00/56/1072450056.db2.gz CGFLXIHJXMUCGI-UMVBOHGHSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C[N@@H+]1C1CC1 ZINC000583282419 1072450575 /nfs/dbraw/zinc/45/05/75/1072450575.db2.gz CGFLXIHJXMUCGI-VNHYZAJKSA-N 1 0 388.472 -0.227 20 0 GBADRO CCn1ncnc1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000583283781 1072450620 /nfs/dbraw/zinc/45/06/20/1072450620.db2.gz BXXMAVMPSNDDQB-HNNXBMFYSA-N 1 0 377.493 -0.457 20 0 GBADRO CCn1ncnc1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000583283782 1072450477 /nfs/dbraw/zinc/45/04/77/1072450477.db2.gz BXXMAVMPSNDDQB-OAHLLOKOSA-N 1 0 377.493 -0.457 20 0 GBADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000583290167 530331886 /nfs/dbraw/zinc/33/18/86/530331886.db2.gz LGPIWERRLZKMJM-KBPBESRZSA-N 1 0 376.523 -0.237 20 0 GBADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000583290168 530331838 /nfs/dbraw/zinc/33/18/38/530331838.db2.gz LGPIWERRLZKMJM-KGLIPLIRSA-N 1 0 376.523 -0.237 20 0 GBADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000583290169 530331984 /nfs/dbraw/zinc/33/19/84/530331984.db2.gz LGPIWERRLZKMJM-UONOGXRCSA-N 1 0 376.523 -0.237 20 0 GBADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000583290170 530332021 /nfs/dbraw/zinc/33/20/21/530332021.db2.gz LGPIWERRLZKMJM-ZIAGYGMSSA-N 1 0 376.523 -0.237 20 0 GBADRO O=C(NCCc1c[nH]c2ncccc12)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000583311816 1072452008 /nfs/dbraw/zinc/45/20/08/1072452008.db2.gz VXSBFSRAKPZYED-UHFFFAOYSA-N 1 0 392.485 -0.266 20 0 GBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000583316413 1072452187 /nfs/dbraw/zinc/45/21/87/1072452187.db2.gz ATGHCELCJWIRDK-CVEARBPZSA-N 1 0 379.505 -0.791 20 0 GBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000583316414 1072452396 /nfs/dbraw/zinc/45/23/96/1072452396.db2.gz ATGHCELCJWIRDK-HOTGVXAUSA-N 1 0 379.505 -0.791 20 0 GBADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000583316415 1072452254 /nfs/dbraw/zinc/45/22/54/1072452254.db2.gz ATGHCELCJWIRDK-HZPDHXFCSA-N 1 0 379.505 -0.791 20 0 GBADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000583316416 1072452311 /nfs/dbraw/zinc/45/23/11/1072452311.db2.gz ATGHCELCJWIRDK-JKSUJKDBSA-N 1 0 379.505 -0.791 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000583320686 1072453001 /nfs/dbraw/zinc/45/30/01/1072453001.db2.gz IHEGGRVLSSPTMR-AWEZNQCLSA-N 1 0 398.485 -0.757 20 0 GBADRO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000583320687 1072452962 /nfs/dbraw/zinc/45/29/62/1072452962.db2.gz IHEGGRVLSSPTMR-CQSZACIVSA-N 1 0 398.485 -0.757 20 0 GBADRO COC(=O)c1cncc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000583321945 1072453087 /nfs/dbraw/zinc/45/30/87/1072453087.db2.gz MKGPGRPQLVARHT-GFCCVEGCSA-N 1 0 396.391 -0.017 20 0 GBADRO COC(=O)c1cncc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000583321946 1072453080 /nfs/dbraw/zinc/45/30/80/1072453080.db2.gz MKGPGRPQLVARHT-LBPRGKRZSA-N 1 0 396.391 -0.017 20 0 GBADRO COC1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]CC1 ZINC000583323111 1072453056 /nfs/dbraw/zinc/45/30/56/1072453056.db2.gz CMQPBEYRMIGSDP-UHFFFAOYSA-N 1 0 390.488 -0.270 20 0 GBADRO [NH3+][C@H]1Cc2ccccc2N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000583325196 1072453113 /nfs/dbraw/zinc/45/31/13/1072453113.db2.gz DVWGCGVIXGOVED-DLBZAZTESA-N 1 0 392.525 -0.292 20 0 GBADRO [NH3+][C@@H]1Cc2ccccc2N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000583325197 1072453170 /nfs/dbraw/zinc/45/31/70/1072453170.db2.gz DVWGCGVIXGOVED-IAGOWNOFSA-N 1 0 392.525 -0.292 20 0 GBADRO [NH3+][C@H]1Cc2ccccc2N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000583325198 1072453123 /nfs/dbraw/zinc/45/31/23/1072453123.db2.gz DVWGCGVIXGOVED-IRXDYDNUSA-N 1 0 392.525 -0.292 20 0 GBADRO [NH3+][C@@H]1Cc2ccccc2N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000583325199 1072453208 /nfs/dbraw/zinc/45/32/08/1072453208.db2.gz DVWGCGVIXGOVED-SJORKVTESA-N 1 0 392.525 -0.292 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333327 1072454036 /nfs/dbraw/zinc/45/40/36/1072454036.db2.gz LPSCSHSTKVODLZ-KBPBESRZSA-N 1 0 383.408 -0.158 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333328 1072454027 /nfs/dbraw/zinc/45/40/27/1072454027.db2.gz LPSCSHSTKVODLZ-KGLIPLIRSA-N 1 0 383.408 -0.158 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333329 1072453753 /nfs/dbraw/zinc/45/37/53/1072453753.db2.gz LPSCSHSTKVODLZ-UONOGXRCSA-N 1 0 383.408 -0.158 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CCN2C1=O ZINC000583333330 1072453947 /nfs/dbraw/zinc/45/39/47/1072453947.db2.gz LPSCSHSTKVODLZ-ZIAGYGMSSA-N 1 0 383.408 -0.158 20 0 GBADRO CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000583333375 1072453635 /nfs/dbraw/zinc/45/36/35/1072453635.db2.gz NHKSDMJMGFOGNC-KBPBESRZSA-N 1 0 375.429 -0.031 20 0 GBADRO CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583333376 1072453580 /nfs/dbraw/zinc/45/35/80/1072453580.db2.gz NHKSDMJMGFOGNC-KGLIPLIRSA-N 1 0 375.429 -0.031 20 0 GBADRO CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000583333377 1072454049 /nfs/dbraw/zinc/45/40/49/1072454049.db2.gz NHKSDMJMGFOGNC-UONOGXRCSA-N 1 0 375.429 -0.031 20 0 GBADRO CCCCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583333378 1072453741 /nfs/dbraw/zinc/45/37/41/1072453741.db2.gz NHKSDMJMGFOGNC-ZIAGYGMSSA-N 1 0 375.429 -0.031 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000583338510 1072453875 /nfs/dbraw/zinc/45/38/75/1072453875.db2.gz RXHLMYCXLDDFST-HNNXBMFYSA-N 1 0 390.488 -0.372 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000583338511 1072454021 /nfs/dbraw/zinc/45/40/21/1072454021.db2.gz RXHLMYCXLDDFST-OAHLLOKOSA-N 1 0 390.488 -0.372 20 0 GBADRO COCc1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(N)n1 ZINC000583341688 1072453924 /nfs/dbraw/zinc/45/39/24/1072453924.db2.gz DEQOJMWVGKVLNA-YHWZYXNKSA-N 1 0 376.461 0.019 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000583349887 530107095 /nfs/dbraw/zinc/10/70/95/530107095.db2.gz ANFPQADLMLOZNS-KGLIPLIRSA-N 1 0 376.523 -0.238 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000583349888 530107048 /nfs/dbraw/zinc/10/70/48/530107048.db2.gz ANFPQADLMLOZNS-ZIAGYGMSSA-N 1 0 376.523 -0.238 20 0 GBADRO CN1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)[C@H](C[NH3+])C1 ZINC000583369744 1072456291 /nfs/dbraw/zinc/45/62/91/1072456291.db2.gz JNHLGRUTKYSKOD-CYBMUJFWSA-N 1 0 382.490 -0.027 20 0 GBADRO CN1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H](C[NH3+])C1 ZINC000583369745 1072456502 /nfs/dbraw/zinc/45/65/02/1072456502.db2.gz JNHLGRUTKYSKOD-ZDUSSCGKSA-N 1 0 382.490 -0.027 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](CO)O1 ZINC000583373616 1072456163 /nfs/dbraw/zinc/45/61/63/1072456163.db2.gz OAHXFJSUEYULCO-DZGCQCFKSA-N 1 0 380.445 -0.754 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](CO)O1 ZINC000583373617 1072456264 /nfs/dbraw/zinc/45/62/64/1072456264.db2.gz OAHXFJSUEYULCO-HIFRSBDPSA-N 1 0 380.445 -0.754 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](CO)O1 ZINC000583373618 1072456249 /nfs/dbraw/zinc/45/62/49/1072456249.db2.gz OAHXFJSUEYULCO-UKRRQHHQSA-N 1 0 380.445 -0.754 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](CO)O1 ZINC000583373619 1072456209 /nfs/dbraw/zinc/45/62/09/1072456209.db2.gz OAHXFJSUEYULCO-ZFWWWQNUSA-N 1 0 380.445 -0.754 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(CCN3CCNC3=O)CC2)cc1 ZINC000583373794 1072456462 /nfs/dbraw/zinc/45/64/62/1072456462.db2.gz XINMWAVIGSVAGV-UHFFFAOYSA-N 1 0 395.529 -0.084 20 0 GBADRO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000583375609 1072457155 /nfs/dbraw/zinc/45/71/55/1072457155.db2.gz DGPUDBCFPPTNNO-HNNXBMFYSA-N 1 0 383.470 -0.266 20 0 GBADRO Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000583375610 1072457021 /nfs/dbraw/zinc/45/70/21/1072457021.db2.gz DGPUDBCFPPTNNO-OAHLLOKOSA-N 1 0 383.470 -0.266 20 0 GBADRO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c(=O)n2C ZINC000583375656 1072456284 /nfs/dbraw/zinc/45/62/84/1072456284.db2.gz KVNGFSHCSWOHSF-UONOGXRCSA-N 1 0 382.424 -0.695 20 0 GBADRO O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583375716 1072457042 /nfs/dbraw/zinc/45/70/42/1072457042.db2.gz SPVOPSJENJXUCU-GOSISDBHSA-N 1 0 389.475 -0.020 20 0 GBADRO O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583375717 1072457094 /nfs/dbraw/zinc/45/70/94/1072457094.db2.gz SPVOPSJENJXUCU-SFHVURJKSA-N 1 0 389.475 -0.020 20 0 GBADRO O=C([C@H]1CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000583380158 1072456973 /nfs/dbraw/zinc/45/69/73/1072456973.db2.gz OBKNGIOGMGBLOA-KBPBESRZSA-N 1 0 392.422 -0.080 20 0 GBADRO O=C([C@@H]1CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000583380159 1072457045 /nfs/dbraw/zinc/45/70/45/1072457045.db2.gz OBKNGIOGMGBLOA-KGLIPLIRSA-N 1 0 392.422 -0.080 20 0 GBADRO O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583380160 1072456984 /nfs/dbraw/zinc/45/69/84/1072456984.db2.gz OBKNGIOGMGBLOA-UONOGXRCSA-N 1 0 392.422 -0.080 20 0 GBADRO O=C([C@@H]1CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000583380161 1072457195 /nfs/dbraw/zinc/45/71/95/1072457195.db2.gz OBKNGIOGMGBLOA-ZIAGYGMSSA-N 1 0 392.422 -0.080 20 0 GBADRO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000583380700 1072457262 /nfs/dbraw/zinc/45/72/62/1072457262.db2.gz ZOSJSBMNNPQWIM-WBVHZDCISA-N 1 0 394.497 -0.029 20 0 GBADRO NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc3c2CC[NH2+]C3)c[nH]1 ZINC000583382205 1072456998 /nfs/dbraw/zinc/45/69/98/1072456998.db2.gz OZPKMSQPPIGCHS-UHFFFAOYSA-N 1 0 377.426 -0.324 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000583390746 1072458056 /nfs/dbraw/zinc/45/80/56/1072458056.db2.gz ZPJQAGHIXAWMEL-UHFFFAOYSA-N 1 0 397.501 -0.290 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000583392630 530107459 /nfs/dbraw/zinc/10/74/59/530107459.db2.gz LMKGWTGIHONSJV-UHFFFAOYSA-N 1 0 380.536 -0.728 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000583395594 1072458883 /nfs/dbraw/zinc/45/88/83/1072458883.db2.gz DARCWAZSMJMKBP-UHFFFAOYSA-N 1 0 393.532 -0.401 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000583401226 1072458892 /nfs/dbraw/zinc/45/88/92/1072458892.db2.gz HEWSFRFONZCEJE-HNNXBMFYSA-N 1 0 392.504 -0.125 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000583401227 1072458888 /nfs/dbraw/zinc/45/88/88/1072458888.db2.gz HEWSFRFONZCEJE-OAHLLOKOSA-N 1 0 392.504 -0.125 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000583401602 1072458839 /nfs/dbraw/zinc/45/88/39/1072458839.db2.gz VXMNQMUDUCJISH-CABCVRRESA-N 1 0 388.534 -0.093 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000583401603 1072458851 /nfs/dbraw/zinc/45/88/51/1072458851.db2.gz VXMNQMUDUCJISH-GJZGRUSLSA-N 1 0 388.534 -0.093 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000583401604 1072458870 /nfs/dbraw/zinc/45/88/70/1072458870.db2.gz VXMNQMUDUCJISH-HUUCEWRRSA-N 1 0 388.534 -0.093 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000583401605 1072458873 /nfs/dbraw/zinc/45/88/73/1072458873.db2.gz VXMNQMUDUCJISH-LSDHHAIUSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1O ZINC000583409046 1072460021 /nfs/dbraw/zinc/46/00/21/1072460021.db2.gz XLBPNHKEMUMTFM-HOTGVXAUSA-N 1 0 375.473 -0.356 20 0 GBADRO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000583414908 1072459591 /nfs/dbraw/zinc/45/95/91/1072459591.db2.gz VZULCOMMHWOISJ-CYBMUJFWSA-N 1 0 376.417 -0.532 20 0 GBADRO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000583414909 1072459710 /nfs/dbraw/zinc/45/97/10/1072459710.db2.gz VZULCOMMHWOISJ-ZDUSSCGKSA-N 1 0 376.417 -0.532 20 0 GBADRO Cn1cc(I)c(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000583430736 530107930 /nfs/dbraw/zinc/10/79/30/530107930.db2.gz FFBQOWKGNUQOLY-SECBINFHSA-N 1 0 392.245 -0.191 20 0 GBADRO Cn1cc(I)c(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000583430737 530107953 /nfs/dbraw/zinc/10/79/53/530107953.db2.gz FFBQOWKGNUQOLY-VIFPVBQESA-N 1 0 392.245 -0.191 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000583431059 1072461450 /nfs/dbraw/zinc/46/14/50/1072461450.db2.gz HMGAVJGTAZAZBX-INIZCTEOSA-N 1 0 387.484 -0.433 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000583431060 1072461896 /nfs/dbraw/zinc/46/18/96/1072461896.db2.gz HMGAVJGTAZAZBX-MRXNPFEDSA-N 1 0 387.484 -0.433 20 0 GBADRO Cn1cc(CN2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)cn1 ZINC000583431393 1072461884 /nfs/dbraw/zinc/46/18/84/1072461884.db2.gz WLPLVPALVCPGRF-UHFFFAOYSA-N 1 0 399.499 -0.044 20 0 GBADRO CC1(C)C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(C)(C)O1 ZINC000583432700 1072461734 /nfs/dbraw/zinc/46/17/34/1072461734.db2.gz QMHXWYMNCFIWRF-INIZCTEOSA-N 1 0 398.548 -0.045 20 0 GBADRO CC1(C)C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(C)(C)O1 ZINC000583432701 1072461623 /nfs/dbraw/zinc/46/16/23/1072461623.db2.gz QMHXWYMNCFIWRF-MRXNPFEDSA-N 1 0 398.548 -0.045 20 0 GBADRO CCOCC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000583435510 1072462260 /nfs/dbraw/zinc/46/22/60/1072462260.db2.gz IXADVIYEEWEZNR-INIZCTEOSA-N 1 0 386.518 -0.090 20 0 GBADRO CCOCC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000583435511 1072462641 /nfs/dbraw/zinc/46/26/41/1072462641.db2.gz IXADVIYEEWEZNR-MRXNPFEDSA-N 1 0 386.518 -0.090 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452295 1072462713 /nfs/dbraw/zinc/46/27/13/1072462713.db2.gz AYKKPRZBYLUIQO-DOMZBBRYSA-N 1 0 385.424 -0.374 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452296 1072462658 /nfs/dbraw/zinc/46/26/58/1072462658.db2.gz AYKKPRZBYLUIQO-IUODEOHRSA-N 1 0 385.424 -0.374 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452297 1072463145 /nfs/dbraw/zinc/46/31/45/1072463145.db2.gz AYKKPRZBYLUIQO-SWLSCSKDSA-N 1 0 385.424 -0.374 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000583452298 1072463334 /nfs/dbraw/zinc/46/33/34/1072463334.db2.gz AYKKPRZBYLUIQO-WFASDCNBSA-N 1 0 385.424 -0.374 20 0 GBADRO CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000583452593 1073325484 /nfs/dbraw/zinc/32/54/84/1073325484.db2.gz QTKRJYGJUMOFCZ-CABCVRRESA-N 1 0 376.482 -0.064 20 0 GBADRO CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000583452594 1073325975 /nfs/dbraw/zinc/32/59/75/1073325975.db2.gz QTKRJYGJUMOFCZ-GJZGRUSLSA-N 1 0 376.482 -0.064 20 0 GBADRO CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000583452595 1072462623 /nfs/dbraw/zinc/46/26/23/1072462623.db2.gz QTKRJYGJUMOFCZ-HUUCEWRRSA-N 1 0 376.482 -0.064 20 0 GBADRO CSCc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000583452596 1073325752 /nfs/dbraw/zinc/32/57/52/1073325752.db2.gz QTKRJYGJUMOFCZ-LSDHHAIUSA-N 1 0 376.482 -0.064 20 0 GBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459224 1072464076 /nfs/dbraw/zinc/46/40/76/1072464076.db2.gz IQAKSOQHGZVMSV-GQIGUUNPSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459225 1072463973 /nfs/dbraw/zinc/46/39/73/1072463973.db2.gz IQAKSOQHGZVMSV-GUXCAODWSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459226 1072464044 /nfs/dbraw/zinc/46/40/44/1072464044.db2.gz IQAKSOQHGZVMSV-JXXFODFXSA-N 1 0 396.532 -0.077 20 0 GBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[C@@H](C)O2 ZINC000583459227 1072463851 /nfs/dbraw/zinc/46/38/51/1072463851.db2.gz IQAKSOQHGZVMSV-QINHECLXSA-N 1 0 396.532 -0.077 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000583467360 1072464722 /nfs/dbraw/zinc/46/47/22/1072464722.db2.gz YJFANTMHOWLDGW-UHFFFAOYSA-N 1 0 399.499 0.407 20 0 GBADRO O=S(=O)(CC[NH+]1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000583475061 530186739 /nfs/dbraw/zinc/18/67/39/530186739.db2.gz TUSAHYYYOQKLAJ-UHFFFAOYSA-N 1 0 392.503 -0.452 20 0 GBADRO COC[C@@]1(CNC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)CCC[NH2+]1 ZINC000583488151 1072466584 /nfs/dbraw/zinc/46/65/84/1072466584.db2.gz SWXRDZLFLDMXOH-BEFAXECRSA-N 1 0 391.424 -0.162 20 0 GBADRO COC[C@]1(CNC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)CCC[NH2+]1 ZINC000583488152 1072466581 /nfs/dbraw/zinc/46/65/81/1072466581.db2.gz SWXRDZLFLDMXOH-DNVCBOLYSA-N 1 0 391.424 -0.162 20 0 GBADRO COC[C@]1(CNC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)CCC[NH2+]1 ZINC000583488153 1072466571 /nfs/dbraw/zinc/46/65/71/1072466571.db2.gz SWXRDZLFLDMXOH-HNAYVOBHSA-N 1 0 391.424 -0.162 20 0 GBADRO COC[C@@]1(CNC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)CCC[NH2+]1 ZINC000583488154 1072466527 /nfs/dbraw/zinc/46/65/27/1072466527.db2.gz SWXRDZLFLDMXOH-KXBFYZLASA-N 1 0 391.424 -0.162 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000583490165 1072466678 /nfs/dbraw/zinc/46/66/78/1072466678.db2.gz WILFYDNQLARMIX-NEPJUHHUSA-N 1 0 395.410 -0.712 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000583490166 1072466415 /nfs/dbraw/zinc/46/64/15/1072466415.db2.gz WILFYDNQLARMIX-NWDGAFQWSA-N 1 0 395.410 -0.712 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000583490167 1072466443 /nfs/dbraw/zinc/46/64/43/1072466443.db2.gz WILFYDNQLARMIX-RYUDHWBXSA-N 1 0 395.410 -0.712 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000583490168 1072466728 /nfs/dbraw/zinc/46/67/28/1072466728.db2.gz WILFYDNQLARMIX-VXGBXAGGSA-N 1 0 395.410 -0.712 20 0 GBADRO Cn1c2ncn(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c2c(=O)n(C)c1=O ZINC000583494580 1072467512 /nfs/dbraw/zinc/46/75/12/1072467512.db2.gz TWLKRDHTXFZPQI-MRVPVSSYSA-N 1 0 376.339 -0.780 20 0 GBADRO Cn1c2ncn(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c2c(=O)n(C)c1=O ZINC000583494581 1072467175 /nfs/dbraw/zinc/46/71/75/1072467175.db2.gz TWLKRDHTXFZPQI-QMMMGPOBSA-N 1 0 376.339 -0.780 20 0 GBADRO C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC000583498622 1072467605 /nfs/dbraw/zinc/46/76/05/1072467605.db2.gz FOMWYXVUVASPAF-JTQLQIEISA-N 1 0 376.421 -0.594 20 0 GBADRO C[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC000583498623 1072467336 /nfs/dbraw/zinc/46/73/36/1072467336.db2.gz FOMWYXVUVASPAF-SNVBAGLBSA-N 1 0 376.421 -0.594 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000583499195 1072468396 /nfs/dbraw/zinc/46/83/96/1072468396.db2.gz VPAZPGAXXJFKLN-AWEZNQCLSA-N 1 0 398.485 -0.757 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000583499196 1072468437 /nfs/dbraw/zinc/46/84/37/1072468437.db2.gz VPAZPGAXXJFKLN-CQSZACIVSA-N 1 0 398.485 -0.757 20 0 GBADRO COc1ccccc1Nc1nc(N)nc(CN2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000583500126 1072468053 /nfs/dbraw/zinc/46/80/53/1072468053.db2.gz NIVPEFBAUPQZJW-AWEZNQCLSA-N 1 0 384.488 0.107 20 0 GBADRO COc1ccccc1Nc1nc(N)nc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000583500127 1072468458 /nfs/dbraw/zinc/46/84/58/1072468458.db2.gz NIVPEFBAUPQZJW-CQSZACIVSA-N 1 0 384.488 0.107 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1 ZINC000583500514 1072468183 /nfs/dbraw/zinc/46/81/83/1072468183.db2.gz ATIAGSAJXSDURP-GFCCVEGCSA-N 1 0 387.414 -0.643 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1 ZINC000583500515 1072468278 /nfs/dbraw/zinc/46/82/78/1072468278.db2.gz ATIAGSAJXSDURP-LBPRGKRZSA-N 1 0 387.414 -0.643 20 0 GBADRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000583505156 1072468142 /nfs/dbraw/zinc/46/81/42/1072468142.db2.gz UVJVLWODAKXOEF-INIZCTEOSA-N 1 0 383.474 -0.455 20 0 GBADRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000583505157 1072468452 /nfs/dbraw/zinc/46/84/52/1072468452.db2.gz UVJVLWODAKXOEF-MRXNPFEDSA-N 1 0 383.474 -0.455 20 0 GBADRO CCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000583505846 1072468170 /nfs/dbraw/zinc/46/81/70/1072468170.db2.gz XMUBIEOQQKAKEC-UHFFFAOYSA-N 1 0 381.521 -0.306 20 0 GBADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)NCc3ncccn3)CC2)nc1 ZINC000583510738 1072469380 /nfs/dbraw/zinc/46/93/80/1072469380.db2.gz BILSZGLVLNQZEF-UHFFFAOYSA-N 1 0 383.456 -0.102 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000583511537 1072468836 /nfs/dbraw/zinc/46/88/36/1072468836.db2.gz KYOFYOXEUSCEMZ-KBPBESRZSA-N 1 0 390.440 -0.867 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000583511538 1072469315 /nfs/dbraw/zinc/46/93/15/1072469315.db2.gz KYOFYOXEUSCEMZ-KGLIPLIRSA-N 1 0 390.440 -0.867 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000583511539 1072468862 /nfs/dbraw/zinc/46/88/62/1072468862.db2.gz KYOFYOXEUSCEMZ-UONOGXRCSA-N 1 0 390.440 -0.867 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000583511540 1072469051 /nfs/dbraw/zinc/46/90/51/1072469051.db2.gz KYOFYOXEUSCEMZ-ZIAGYGMSSA-N 1 0 390.440 -0.867 20 0 GBADRO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000583514016 1072469099 /nfs/dbraw/zinc/46/90/99/1072469099.db2.gz HAMXESFKDAOZEY-INIZCTEOSA-N 1 0 382.505 -0.606 20 0 GBADRO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000583514017 1072468842 /nfs/dbraw/zinc/46/88/42/1072468842.db2.gz HAMXESFKDAOZEY-MRXNPFEDSA-N 1 0 382.505 -0.606 20 0 GBADRO CCn1ncnc1CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000583520863 1072470088 /nfs/dbraw/zinc/47/00/88/1072470088.db2.gz JDYVDTGPPHOOKK-UHFFFAOYSA-N 1 0 391.520 -0.069 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000583525244 1072470071 /nfs/dbraw/zinc/47/00/71/1072470071.db2.gz FYXNETACVQEGLM-DLTWYDFYSA-N 1 0 394.516 -0.025 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000583525245 1072470027 /nfs/dbraw/zinc/47/00/27/1072470027.db2.gz FYXNETACVQEGLM-JYYAWHABSA-N 1 0 394.516 -0.025 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000583525246 1072470078 /nfs/dbraw/zinc/47/00/78/1072470078.db2.gz FYXNETACVQEGLM-LJIGWXMPSA-N 1 0 394.516 -0.025 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000583525247 1072469974 /nfs/dbraw/zinc/46/99/74/1072469974.db2.gz FYXNETACVQEGLM-MPTYRVRUSA-N 1 0 394.516 -0.025 20 0 GBADRO COCCC1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000583525546 1072471579 /nfs/dbraw/zinc/47/15/79/1072471579.db2.gz SCIUJTZUXIDZTR-UHFFFAOYSA-N 1 0 380.489 -0.314 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000583525574 1072471768 /nfs/dbraw/zinc/47/17/68/1072471768.db2.gz TXTDOXKSRXZMBT-INIZCTEOSA-N 1 0 392.500 -0.029 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000583525575 1072471906 /nfs/dbraw/zinc/47/19/06/1072471906.db2.gz TXTDOXKSRXZMBT-MRXNPFEDSA-N 1 0 392.500 -0.029 20 0 GBADRO COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583554496 1072473405 /nfs/dbraw/zinc/47/34/05/1072473405.db2.gz FYSDPNCEZIOBQQ-INIZCTEOSA-N 1 0 391.472 -0.909 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000583554630 1072473310 /nfs/dbraw/zinc/47/33/10/1072473310.db2.gz XRDJTNZHTONUQK-UHFFFAOYSA-N 1 0 382.509 -0.996 20 0 GBADRO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583555237 1072473414 /nfs/dbraw/zinc/47/34/14/1072473414.db2.gz NVVDRLYGVIINSL-FQEVSTJZSA-N 1 0 390.484 -0.276 20 0 GBADRO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583555238 1072473433 /nfs/dbraw/zinc/47/34/33/1072473433.db2.gz NVVDRLYGVIINSL-HXUWFJFHSA-N 1 0 390.484 -0.276 20 0 GBADRO O=C(C(=O)N1CCCC[C@H]1CN1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583558860 1072473028 /nfs/dbraw/zinc/47/30/28/1072473028.db2.gz PVYROQYGANHZTB-MSOLQXFVSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(C(=O)N1CCCC[C@@H]1CN1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583558861 1072473265 /nfs/dbraw/zinc/47/32/65/1072473265.db2.gz PVYROQYGANHZTB-QZTJIDSGSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(C(=O)N1CCCC[C@H]1CN1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583558862 1072473561 /nfs/dbraw/zinc/47/35/61/1072473561.db2.gz PVYROQYGANHZTB-ROUUACIJSA-N 1 0 393.532 -0.794 20 0 GBADRO O=C(C(=O)N1CCCC[C@@H]1CN1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000583558863 1072473103 /nfs/dbraw/zinc/47/31/03/1072473103.db2.gz PVYROQYGANHZTB-ZWKOTPCHSA-N 1 0 393.532 -0.794 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CCOC3C[NH2+]C3)CC2)cc1 ZINC000583559135 1072473412 /nfs/dbraw/zinc/47/34/12/1072473412.db2.gz CNQFQPRQHJCGGJ-UHFFFAOYSA-N 1 0 383.470 -0.093 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583562435 1072474193 /nfs/dbraw/zinc/47/41/93/1072474193.db2.gz TZWFQMFHEPCBNZ-HNNXBMFYSA-N 1 0 392.485 -0.121 20 0 GBADRO O=C(NCCS(=O)(=O)NCc1ccccc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583562436 1072474416 /nfs/dbraw/zinc/47/44/16/1072474416.db2.gz TZWFQMFHEPCBNZ-OAHLLOKOSA-N 1 0 392.485 -0.121 20 0 GBADRO CC[NH2+]CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000583563573 1072473254 /nfs/dbraw/zinc/47/32/54/1072473254.db2.gz IYIZMTAIGYVBOL-UHFFFAOYSA-N 1 0 382.486 -0.088 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C2)nc1 ZINC000583564960 1072474121 /nfs/dbraw/zinc/47/41/21/1072474121.db2.gz LRJDSNXJRDMBRD-NEPJUHHUSA-N 1 0 377.445 -0.195 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C2)nc1 ZINC000583564961 1072474103 /nfs/dbraw/zinc/47/41/03/1072474103.db2.gz LRJDSNXJRDMBRD-NWDGAFQWSA-N 1 0 377.445 -0.195 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C2)nc1 ZINC000583564962 1072474155 /nfs/dbraw/zinc/47/41/55/1072474155.db2.gz LRJDSNXJRDMBRD-RYUDHWBXSA-N 1 0 377.445 -0.195 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C2)nc1 ZINC000583564963 1072474456 /nfs/dbraw/zinc/47/44/56/1072474456.db2.gz LRJDSNXJRDMBRD-VXGBXAGGSA-N 1 0 377.445 -0.195 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000583565250 1072475109 /nfs/dbraw/zinc/47/51/09/1072475109.db2.gz XFWNYXCJMDWDRQ-CABCVRRESA-N 1 0 375.473 -0.307 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000583565251 1072475251 /nfs/dbraw/zinc/47/52/51/1072475251.db2.gz XFWNYXCJMDWDRQ-GJZGRUSLSA-N 1 0 375.473 -0.307 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000583565252 1072475048 /nfs/dbraw/zinc/47/50/48/1072475048.db2.gz XFWNYXCJMDWDRQ-HUUCEWRRSA-N 1 0 375.473 -0.307 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000583565253 1072475315 /nfs/dbraw/zinc/47/53/15/1072475315.db2.gz XFWNYXCJMDWDRQ-LSDHHAIUSA-N 1 0 375.473 -0.307 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000583565783 1072474482 /nfs/dbraw/zinc/47/44/82/1072474482.db2.gz NDDGUVLPMJPTBW-HOCLYGCPSA-N 1 0 388.534 -0.061 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000583565784 1072474447 /nfs/dbraw/zinc/47/44/47/1072474447.db2.gz NDDGUVLPMJPTBW-ZBFHGGJFSA-N 1 0 388.534 -0.061 20 0 GBADRO CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2C)nn1 ZINC000583575497 1072475818 /nfs/dbraw/zinc/47/58/18/1072475818.db2.gz IBTMENJREBCUEK-GXTWGEPZSA-N 1 0 385.428 -0.247 20 0 GBADRO CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2C)nn1 ZINC000583575498 1072476098 /nfs/dbraw/zinc/47/60/98/1072476098.db2.gz IBTMENJREBCUEK-JSGCOSHPSA-N 1 0 385.428 -0.247 20 0 GBADRO CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2C)nn1 ZINC000583575499 1072475794 /nfs/dbraw/zinc/47/57/94/1072475794.db2.gz IBTMENJREBCUEK-OCCSQVGLSA-N 1 0 385.428 -0.247 20 0 GBADRO CCOc1ccc(-n2ncc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2C)nn1 ZINC000583575500 1072476249 /nfs/dbraw/zinc/47/62/49/1072476249.db2.gz IBTMENJREBCUEK-TZMCWYRMSA-N 1 0 385.428 -0.247 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583575921 1072475768 /nfs/dbraw/zinc/47/57/68/1072475768.db2.gz WLRFQARIJCNFQC-BZUAXINKSA-N 1 0 387.484 -0.327 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583575922 1072476240 /nfs/dbraw/zinc/47/62/40/1072476240.db2.gz WLRFQARIJCNFQC-OAGGEKHMSA-N 1 0 387.484 -0.327 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583575923 1072476069 /nfs/dbraw/zinc/47/60/69/1072476069.db2.gz WLRFQARIJCNFQC-OWCLPIDISA-N 1 0 387.484 -0.327 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583575924 1072476153 /nfs/dbraw/zinc/47/61/53/1072476153.db2.gz WLRFQARIJCNFQC-PMPSAXMXSA-N 1 0 387.484 -0.327 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)C(C)C ZINC000583585364 1072477149 /nfs/dbraw/zinc/47/71/49/1072477149.db2.gz XIROYTYJTHJMPW-AWEZNQCLSA-N 1 0 378.477 -0.203 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)C(C)C ZINC000583585365 1072477126 /nfs/dbraw/zinc/47/71/26/1072477126.db2.gz XIROYTYJTHJMPW-CQSZACIVSA-N 1 0 378.477 -0.203 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)C(C)C ZINC000583592646 1072477987 /nfs/dbraw/zinc/47/79/87/1072477987.db2.gz QYZOTXCVNSGNOZ-ZBFHGGJFSA-N 1 0 378.477 -0.298 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000583610804 1072481125 /nfs/dbraw/zinc/48/11/25/1072481125.db2.gz NGNBKQUNDQPPAE-HNNXBMFYSA-N 1 0 386.518 -0.433 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000583610805 1072481081 /nfs/dbraw/zinc/48/10/81/1072481081.db2.gz NGNBKQUNDQPPAE-OAHLLOKOSA-N 1 0 386.518 -0.433 20 0 GBADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CCCC1 ZINC000583614444 1072482014 /nfs/dbraw/zinc/48/20/14/1072482014.db2.gz JQJSJUNDVOEOLD-HNNXBMFYSA-N 1 0 381.477 -0.784 20 0 GBADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CCCC1 ZINC000583614445 1072482213 /nfs/dbraw/zinc/48/22/13/1072482213.db2.gz JQJSJUNDVOEOLD-OAHLLOKOSA-N 1 0 381.477 -0.784 20 0 GBADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583614495 1072482101 /nfs/dbraw/zinc/48/21/01/1072482101.db2.gz NEPSVPZYDDYQQR-GASCZTMLSA-N 1 0 391.538 -0.333 20 0 GBADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000583614496 1072481796 /nfs/dbraw/zinc/48/17/96/1072481796.db2.gz NEPSVPZYDDYQQR-GJZGRUSLSA-N 1 0 391.538 -0.333 20 0 GBADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000583614497 1072482164 /nfs/dbraw/zinc/48/21/64/1072482164.db2.gz NEPSVPZYDDYQQR-HUUCEWRRSA-N 1 0 391.538 -0.333 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000583614588 1072481962 /nfs/dbraw/zinc/48/19/62/1072481962.db2.gz WCPLDYVDUYJLAS-INIZCTEOSA-N 1 0 384.444 -0.586 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000583614589 1072481890 /nfs/dbraw/zinc/48/18/90/1072481890.db2.gz WCPLDYVDUYJLAS-MRXNPFEDSA-N 1 0 384.444 -0.586 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614833 1072481763 /nfs/dbraw/zinc/48/17/63/1072481763.db2.gz HTBCWWGTPWHGOT-DLBZAZTESA-N 1 0 376.457 -0.256 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614834 1072482058 /nfs/dbraw/zinc/48/20/58/1072482058.db2.gz HTBCWWGTPWHGOT-IAGOWNOFSA-N 1 0 376.457 -0.256 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614835 1072482000 /nfs/dbraw/zinc/48/20/00/1072482000.db2.gz HTBCWWGTPWHGOT-IRXDYDNUSA-N 1 0 376.457 -0.256 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000583614836 1072481980 /nfs/dbraw/zinc/48/19/80/1072481980.db2.gz HTBCWWGTPWHGOT-SJORKVTESA-N 1 0 376.457 -0.256 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000583615677 1072482187 /nfs/dbraw/zinc/48/21/87/1072482187.db2.gz CWKXZITYGOASMP-DLBZAZTESA-N 1 0 387.484 -0.432 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000583615678 1072481823 /nfs/dbraw/zinc/48/18/23/1072481823.db2.gz CWKXZITYGOASMP-IAGOWNOFSA-N 1 0 387.484 -0.432 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000583615679 1072481740 /nfs/dbraw/zinc/48/17/40/1072481740.db2.gz CWKXZITYGOASMP-IRXDYDNUSA-N 1 0 387.484 -0.432 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000583615680 1072481803 /nfs/dbraw/zinc/48/18/03/1072481803.db2.gz CWKXZITYGOASMP-SJORKVTESA-N 1 0 387.484 -0.432 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000583625042 1072483686 /nfs/dbraw/zinc/48/36/86/1072483686.db2.gz AEQXANNGRNBCGO-AESZEHBQSA-N 1 0 378.473 -0.389 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000583625043 1072483582 /nfs/dbraw/zinc/48/35/82/1072483582.db2.gz AEQXANNGRNBCGO-AIANPOQGSA-N 1 0 378.473 -0.389 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000583625044 1072483718 /nfs/dbraw/zinc/48/37/18/1072483718.db2.gz AEQXANNGRNBCGO-ANQUJSFKSA-N 1 0 378.473 -0.389 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000583625045 1072483791 /nfs/dbraw/zinc/48/37/91/1072483791.db2.gz AEQXANNGRNBCGO-DLTWYDFYSA-N 1 0 378.473 -0.389 20 0 GBADRO C[C@H]1CSCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583625129 1072483708 /nfs/dbraw/zinc/48/37/08/1072483708.db2.gz JPFCODRNTWINAB-CABCVRRESA-N 1 0 382.530 -0.132 20 0 GBADRO C[C@@H]1CSCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583625130 1072483672 /nfs/dbraw/zinc/48/36/72/1072483672.db2.gz JPFCODRNTWINAB-GJZGRUSLSA-N 1 0 382.530 -0.132 20 0 GBADRO C[C@H]1CSCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583625131 1072484235 /nfs/dbraw/zinc/48/42/35/1072484235.db2.gz JPFCODRNTWINAB-HUUCEWRRSA-N 1 0 382.530 -0.132 20 0 GBADRO C[C@@H]1CSCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000583625132 1072484458 /nfs/dbraw/zinc/48/44/58/1072484458.db2.gz JPFCODRNTWINAB-LSDHHAIUSA-N 1 0 382.530 -0.132 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000583625242 1072483493 /nfs/dbraw/zinc/48/34/93/1072483493.db2.gz YMQOLCFNZRLCIX-GOEBONIOSA-N 1 0 394.497 -0.123 20 0 GBADRO CC(C)[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000583629637 1072483485 /nfs/dbraw/zinc/48/34/85/1072483485.db2.gz TVQZTKFDBUJHSP-UHFFFAOYSA-N 1 0 382.486 -0.075 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583630258 530290107 /nfs/dbraw/zinc/29/01/07/530290107.db2.gz RGAZYRAMQPEPAY-ZBFHGGJFSA-N 1 0 377.507 -0.314 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000583630980 1072485910 /nfs/dbraw/zinc/48/59/10/1072485910.db2.gz CTSXBKHBBZNHIQ-AGIUHOORSA-N 1 0 381.454 -0.467 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000583630981 1072485795 /nfs/dbraw/zinc/48/57/95/1072485795.db2.gz CTSXBKHBBZNHIQ-FRRDWIJNSA-N 1 0 381.454 -0.467 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000583630982 1072485999 /nfs/dbraw/zinc/48/59/99/1072485999.db2.gz CTSXBKHBBZNHIQ-JHJVBQTASA-N 1 0 381.454 -0.467 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000583630983 1072485926 /nfs/dbraw/zinc/48/59/26/1072485926.db2.gz CTSXBKHBBZNHIQ-UPJWGTAASA-N 1 0 381.454 -0.467 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@@H]1CSc2ccccc2O1)N1CC[NH2+]CC1 ZINC000583631170 1072485819 /nfs/dbraw/zinc/48/58/19/1072485819.db2.gz LRBMAXCOAZOBCU-GFCCVEGCSA-N 1 0 378.454 -0.796 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@H]1CSc2ccccc2O1)N1CC[NH2+]CC1 ZINC000583631171 1072485768 /nfs/dbraw/zinc/48/57/68/1072485768.db2.gz LRBMAXCOAZOBCU-LBPRGKRZSA-N 1 0 378.454 -0.796 20 0 GBADRO C[NH2+][C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000583631552 1072486722 /nfs/dbraw/zinc/48/67/22/1072486722.db2.gz GJZHNOLBOBJTPY-AWEZNQCLSA-N 1 0 384.477 -0.048 20 0 GBADRO C[NH2+][C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000583631553 1072486664 /nfs/dbraw/zinc/48/66/64/1072486664.db2.gz GJZHNOLBOBJTPY-CQSZACIVSA-N 1 0 384.477 -0.048 20 0 GBADRO COC1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]CC1 ZINC000583631958 530290442 /nfs/dbraw/zinc/29/04/42/530290442.db2.gz IXEBURWNAISVMI-AWEZNQCLSA-N 1 0 375.491 -0.592 20 0 GBADRO COC1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC[NH2+]CC1 ZINC000583631959 530290298 /nfs/dbraw/zinc/29/02/98/530290298.db2.gz IXEBURWNAISVMI-CQSZACIVSA-N 1 0 375.491 -0.592 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@H](C)O1 ZINC000583637146 1072485944 /nfs/dbraw/zinc/48/59/44/1072485944.db2.gz CPYCZOAOBVHWQB-HOTGVXAUSA-N 1 0 382.505 -0.417 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000583637147 1072485985 /nfs/dbraw/zinc/48/59/85/1072485985.db2.gz CPYCZOAOBVHWQB-HZPDHXFCSA-N 1 0 382.505 -0.417 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(N3CCOCC3)CC2)C[C@H](C)O1 ZINC000583637148 1072486006 /nfs/dbraw/zinc/48/60/06/1072486006.db2.gz CPYCZOAOBVHWQB-IYBDPMFKSA-N 1 0 382.505 -0.417 20 0 GBADRO COc1cc(C)c(CN2CCN(C(=O)C[NH2+]C(CO)CO)CC2)cc1OC ZINC000583639189 1072487614 /nfs/dbraw/zinc/48/76/14/1072487614.db2.gz YTKIEYOYFQVZFC-UHFFFAOYSA-N 1 0 381.473 -0.401 20 0 GBADRO Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642189 1072486944 /nfs/dbraw/zinc/48/69/44/1072486944.db2.gz RLQCATINJCXMEA-CABCVRRESA-N 1 0 398.471 -0.230 20 0 GBADRO Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642190 1072486998 /nfs/dbraw/zinc/48/69/98/1072486998.db2.gz RLQCATINJCXMEA-GJZGRUSLSA-N 1 0 398.471 -0.230 20 0 GBADRO Cc1cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642191 1072486929 /nfs/dbraw/zinc/48/69/29/1072486929.db2.gz RLQCATINJCXMEA-HUUCEWRRSA-N 1 0 398.471 -0.230 20 0 GBADRO Cc1cc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n(-c2nc(C)cc(C)n2)n1 ZINC000583642192 1072486889 /nfs/dbraw/zinc/48/68/89/1072486889.db2.gz RLQCATINJCXMEA-LSDHHAIUSA-N 1 0 398.471 -0.230 20 0 GBADRO Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c[nH]c2c1 ZINC000583642466 1072488999 /nfs/dbraw/zinc/48/89/99/1072488999.db2.gz CWCQIIZKPFGNKB-GDBMZVCRSA-N 1 0 383.452 -0.095 20 0 GBADRO Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c[nH]c2c1 ZINC000583642467 1072489048 /nfs/dbraw/zinc/48/90/48/1072489048.db2.gz CWCQIIZKPFGNKB-GOEBONIOSA-N 1 0 383.452 -0.095 20 0 GBADRO Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c[nH]c2c1 ZINC000583642468 1072489105 /nfs/dbraw/zinc/48/91/05/1072489105.db2.gz CWCQIIZKPFGNKB-HOCLYGCPSA-N 1 0 383.452 -0.095 20 0 GBADRO Cc1ccc2c(CCNC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c[nH]c2c1 ZINC000583642469 1072488967 /nfs/dbraw/zinc/48/89/67/1072488967.db2.gz CWCQIIZKPFGNKB-ZBFHGGJFSA-N 1 0 383.452 -0.095 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642522 1072486961 /nfs/dbraw/zinc/48/69/61/1072486961.db2.gz HFYKBXCSIQADGL-KBPBESRZSA-N 1 0 387.440 -0.245 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642523 1072487183 /nfs/dbraw/zinc/48/71/83/1072487183.db2.gz HFYKBXCSIQADGL-KGLIPLIRSA-N 1 0 387.440 -0.245 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642524 1072487550 /nfs/dbraw/zinc/48/75/50/1072487550.db2.gz HFYKBXCSIQADGL-UONOGXRCSA-N 1 0 387.440 -0.245 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCN3C(=O)COc4ccccc43)CCN2C1=O ZINC000583642525 1072487641 /nfs/dbraw/zinc/48/76/41/1072487641.db2.gz HFYKBXCSIQADGL-ZIAGYGMSSA-N 1 0 387.440 -0.245 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000583645095 1072489094 /nfs/dbraw/zinc/48/90/94/1072489094.db2.gz IQNAVAXOVBZQDA-UHFFFAOYSA-N 1 0 375.473 -0.186 20 0 GBADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000583683724 1072495384 /nfs/dbraw/zinc/49/53/84/1072495384.db2.gz XPBIEQZLOPIJNC-NVXWUHKLSA-N 1 0 389.500 -0.261 20 0 GBADRO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000583683725 1072495615 /nfs/dbraw/zinc/49/56/15/1072495615.db2.gz XPBIEQZLOPIJNC-RDJZCZTQSA-N 1 0 389.500 -0.261 20 0 GBADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)c1 ZINC000583683726 1072495342 /nfs/dbraw/zinc/49/53/42/1072495342.db2.gz XPBIEQZLOPIJNC-WBVHZDCISA-N 1 0 389.500 -0.261 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)O)C3)CC2)CC1 ZINC000583687383 1072495677 /nfs/dbraw/zinc/49/56/77/1072495677.db2.gz SMGIJBQCTKFGCN-AEFFLSMTSA-N 1 0 396.532 -0.387 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)O)C3)CC2)CC1 ZINC000583687384 1072495650 /nfs/dbraw/zinc/49/56/50/1072495650.db2.gz SMGIJBQCTKFGCN-FUHWJXTLSA-N 1 0 396.532 -0.387 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3CCO[C@@H]([C@@H](C)O)C3)CC2)CC1 ZINC000583687385 1072495331 /nfs/dbraw/zinc/49/53/31/1072495331.db2.gz SMGIJBQCTKFGCN-SJLPKXTDSA-N 1 0 396.532 -0.387 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)O)C3)CC2)CC1 ZINC000583687386 1072495154 /nfs/dbraw/zinc/49/51/54/1072495154.db2.gz SMGIJBQCTKFGCN-WMZOPIPTSA-N 1 0 396.532 -0.387 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c(C)o1 ZINC000583687528 1072496396 /nfs/dbraw/zinc/49/63/96/1072496396.db2.gz NNQVMJMGVWHLLB-HNNXBMFYSA-N 1 0 392.456 -0.243 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c(C)o1 ZINC000583687529 1072496530 /nfs/dbraw/zinc/49/65/30/1072496530.db2.gz NNQVMJMGVWHLLB-OAHLLOKOSA-N 1 0 392.456 -0.243 20 0 GBADRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000583688341 1072495575 /nfs/dbraw/zinc/49/55/75/1072495575.db2.gz DWOVFCISKCNSHE-CYBMUJFWSA-N 1 0 384.458 -0.182 20 0 GBADRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000583688342 1072496283 /nfs/dbraw/zinc/49/62/83/1072496283.db2.gz DWOVFCISKCNSHE-ZDUSSCGKSA-N 1 0 384.458 -0.182 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583690902 1072495071 /nfs/dbraw/zinc/49/50/71/1072495071.db2.gz LYCUIBAEVAWBBU-INIZCTEOSA-N 1 0 396.513 -0.001 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583690903 1072495057 /nfs/dbraw/zinc/49/50/57/1072495057.db2.gz LYCUIBAEVAWBBU-MRXNPFEDSA-N 1 0 396.513 -0.001 20 0 GBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000583694173 1072496576 /nfs/dbraw/zinc/49/65/76/1072496576.db2.gz ABULMDUBWOFKGU-KRWDZBQOSA-N 1 0 376.457 -0.125 20 0 GBADRO C[NH2+]CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000583694381 1072496121 /nfs/dbraw/zinc/49/61/21/1072496121.db2.gz ZNJYGVBDMYSPRW-GFCCVEGCSA-N 1 0 382.486 -0.090 20 0 GBADRO C[NH2+]CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000583694382 1072496382 /nfs/dbraw/zinc/49/63/82/1072496382.db2.gz ZNJYGVBDMYSPRW-LBPRGKRZSA-N 1 0 382.486 -0.090 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000583695079 1072496528 /nfs/dbraw/zinc/49/65/28/1072496528.db2.gz YBKIBFHZECMXBW-CORIIIEPSA-N 1 0 380.470 -0.337 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000583695080 1072496303 /nfs/dbraw/zinc/49/63/03/1072496303.db2.gz YBKIBFHZECMXBW-OSAQELSMSA-N 1 0 380.470 -0.337 20 0 GBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2CC1 ZINC000583696473 1072496197 /nfs/dbraw/zinc/49/61/97/1072496197.db2.gz XBVIEFOPUMKBNG-KRWDZBQOSA-N 1 0 380.514 -0.103 20 0 GBADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)C[C@H]3C[NH3+])cc2CC1 ZINC000583696474 1072496563 /nfs/dbraw/zinc/49/65/63/1072496563.db2.gz XBVIEFOPUMKBNG-QGZVFWFLSA-N 1 0 380.514 -0.103 20 0 GBADRO C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705010 1072497300 /nfs/dbraw/zinc/49/73/00/1072497300.db2.gz YHMCMFGCEQYYQZ-BJJXKVORSA-N 1 0 394.497 -0.189 20 0 GBADRO C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705011 1072496961 /nfs/dbraw/zinc/49/69/61/1072496961.db2.gz YHMCMFGCEQYYQZ-DUVNUKRYSA-N 1 0 394.497 -0.189 20 0 GBADRO C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705012 1072497148 /nfs/dbraw/zinc/49/71/48/1072497148.db2.gz YHMCMFGCEQYYQZ-JGGQBBKZSA-N 1 0 394.497 -0.189 20 0 GBADRO C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000583705013 1072497566 /nfs/dbraw/zinc/49/75/66/1072497566.db2.gz YHMCMFGCEQYYQZ-NOLJZWGESA-N 1 0 394.497 -0.189 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000583705276 1072497228 /nfs/dbraw/zinc/49/72/28/1072497228.db2.gz QETMMAHDNRUBET-AWEZNQCLSA-N 1 0 380.470 -0.566 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCCC1 ZINC000583707272 1072497043 /nfs/dbraw/zinc/49/70/43/1072497043.db2.gz SFZRTTVNQSYGOJ-UHFFFAOYSA-N 1 0 379.505 -0.600 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCCO1 ZINC000583714593 1072498164 /nfs/dbraw/zinc/49/81/64/1072498164.db2.gz XEAIUIMGCGFWQT-KRWDZBQOSA-N 1 0 396.532 -0.073 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCCO1 ZINC000583714594 1072498225 /nfs/dbraw/zinc/49/82/25/1072498225.db2.gz XEAIUIMGCGFWQT-QGZVFWFLSA-N 1 0 396.532 -0.073 20 0 GBADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000583719259 1072498937 /nfs/dbraw/zinc/49/89/37/1072498937.db2.gz DADKGBOTWADREC-OAHLLOKOSA-N 1 0 388.534 -0.283 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000583719364 1072499474 /nfs/dbraw/zinc/49/94/74/1072499474.db2.gz JAJHSOBNGFXNNH-OAHLLOKOSA-N 1 0 386.518 -0.483 20 0 GBADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000583719454 530331748 /nfs/dbraw/zinc/33/17/48/530331748.db2.gz NCPHXYLADUNHTJ-CQSZACIVSA-N 1 0 376.523 -0.427 20 0 GBADRO C[NH+](C)CCOc1cnccc1CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000583724997 1072499008 /nfs/dbraw/zinc/49/90/08/1072499008.db2.gz NSLJHLOFJOAYIS-UHFFFAOYSA-N 1 0 396.473 -0.428 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC(C)(CO)CO ZINC000583731368 1072499260 /nfs/dbraw/zinc/49/92/60/1072499260.db2.gz MWYQFQJFHPAEHH-UHFFFAOYSA-N 1 0 394.472 -0.365 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000583738896 1072499936 /nfs/dbraw/zinc/49/99/36/1072499936.db2.gz DRLTZSXOAKZNLL-CVEARBPZSA-N 1 0 378.473 -0.611 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000583738897 1072499974 /nfs/dbraw/zinc/49/99/74/1072499974.db2.gz DRLTZSXOAKZNLL-HOTGVXAUSA-N 1 0 378.473 -0.611 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000583738898 1072500114 /nfs/dbraw/zinc/50/01/14/1072500114.db2.gz DRLTZSXOAKZNLL-HZPDHXFCSA-N 1 0 378.473 -0.611 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000583738899 1072500316 /nfs/dbraw/zinc/50/03/16/1072500316.db2.gz DRLTZSXOAKZNLL-JKSUJKDBSA-N 1 0 378.473 -0.611 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)nc1 ZINC000583742388 1072500103 /nfs/dbraw/zinc/50/01/03/1072500103.db2.gz NSFXXDPSXNXAJP-HNNXBMFYSA-N 1 0 376.461 -0.269 20 0 GBADRO CCOC(=O)c1ccc(N2CC(NC(=O)N3CCN(C)C[C@H]3C[NH3+])C2)nc1 ZINC000583742389 1072500054 /nfs/dbraw/zinc/50/00/54/1072500054.db2.gz NSFXXDPSXNXAJP-OAHLLOKOSA-N 1 0 376.461 -0.269 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000583747038 1072500089 /nfs/dbraw/zinc/50/00/89/1072500089.db2.gz OJJNEXQDDKIBMV-INIZCTEOSA-N 1 0 389.475 -0.020 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000583747039 1072500197 /nfs/dbraw/zinc/50/01/97/1072500197.db2.gz OJJNEXQDDKIBMV-MRXNPFEDSA-N 1 0 389.475 -0.020 20 0 GBADRO [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCC1 ZINC000583750236 1072500722 /nfs/dbraw/zinc/50/07/22/1072500722.db2.gz CROGZHIFXFKJPF-INIZCTEOSA-N 1 0 381.502 -0.223 20 0 GBADRO [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCC1 ZINC000583750237 1072501100 /nfs/dbraw/zinc/50/11/00/1072501100.db2.gz CROGZHIFXFKJPF-MRXNPFEDSA-N 1 0 381.502 -0.223 20 0 GBADRO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000583756565 530332344 /nfs/dbraw/zinc/33/23/44/530332344.db2.gz IZNGZZNYCRZRRJ-CABCVRRESA-N 1 0 375.539 -0.409 20 0 GBADRO CC(C)[C@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000583756566 530332441 /nfs/dbraw/zinc/33/24/41/530332441.db2.gz IZNGZZNYCRZRRJ-GJZGRUSLSA-N 1 0 375.539 -0.409 20 0 GBADRO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000583756567 530332178 /nfs/dbraw/zinc/33/21/78/530332178.db2.gz IZNGZZNYCRZRRJ-HUUCEWRRSA-N 1 0 375.539 -0.409 20 0 GBADRO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000583756568 530332393 /nfs/dbraw/zinc/33/23/93/530332393.db2.gz IZNGZZNYCRZRRJ-LSDHHAIUSA-N 1 0 375.539 -0.409 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000583758852 1072500935 /nfs/dbraw/zinc/50/09/35/1072500935.db2.gz ACIGWWGIDRPYEU-UHFFFAOYSA-N 1 0 379.505 -0.743 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000583759267 1072501141 /nfs/dbraw/zinc/50/11/41/1072501141.db2.gz VQRSZPPRLICKIU-UHFFFAOYSA-N 1 0 389.504 -0.698 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764520 1072502181 /nfs/dbraw/zinc/50/21/81/1072502181.db2.gz LJPOXDIYJRRXHW-KBPBESRZSA-N 1 0 383.412 -0.965 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764521 1072501620 /nfs/dbraw/zinc/50/16/20/1072501620.db2.gz LJPOXDIYJRRXHW-KGLIPLIRSA-N 1 0 383.412 -0.965 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764522 1072502315 /nfs/dbraw/zinc/50/23/15/1072502315.db2.gz LJPOXDIYJRRXHW-UONOGXRCSA-N 1 0 383.412 -0.965 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CCN2C1=O ZINC000583764523 1072501663 /nfs/dbraw/zinc/50/16/63/1072501663.db2.gz LJPOXDIYJRRXHW-ZIAGYGMSSA-N 1 0 383.412 -0.965 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000583764707 1072502194 /nfs/dbraw/zinc/50/21/94/1072502194.db2.gz RIMOJQLTLFNNOE-BXUZGUMPSA-N 1 0 384.433 -0.317 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000583764708 1072502210 /nfs/dbraw/zinc/50/22/10/1072502210.db2.gz RIMOJQLTLFNNOE-FZMZJTMJSA-N 1 0 384.433 -0.317 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000583764709 1072501715 /nfs/dbraw/zinc/50/17/15/1072501715.db2.gz RIMOJQLTLFNNOE-RISCZKNCSA-N 1 0 384.433 -0.317 20 0 GBADRO CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000583764710 1072502245 /nfs/dbraw/zinc/50/22/45/1072502245.db2.gz RIMOJQLTLFNNOE-SMDDNHRTSA-N 1 0 384.433 -0.317 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000583766778 1072502004 /nfs/dbraw/zinc/50/20/04/1072502004.db2.gz CCENKZUTWDWHKZ-UHFFFAOYSA-N 1 0 381.521 -0.890 20 0 GBADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000583766907 1072501633 /nfs/dbraw/zinc/50/16/33/1072501633.db2.gz ICUWRPZJZUXLGG-INIZCTEOSA-N 1 0 379.509 -0.448 20 0 GBADRO CCN(Cc1cn(C)nn1)C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000583766908 1072502068 /nfs/dbraw/zinc/50/20/68/1072502068.db2.gz ICUWRPZJZUXLGG-MRXNPFEDSA-N 1 0 379.509 -0.448 20 0 GBADRO CN(C)c1ncc(CN(C)C(=O)C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC000583767687 1072501904 /nfs/dbraw/zinc/50/19/04/1072501904.db2.gz QOLFVWNHTGCDMP-UHFFFAOYSA-N 1 0 378.477 -0.270 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000583768567 1072501652 /nfs/dbraw/zinc/50/16/52/1072501652.db2.gz YVLRRVGSHKXOEU-UHFFFAOYSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000583780664 1072504259 /nfs/dbraw/zinc/50/42/59/1072504259.db2.gz XGCRELYZOVDPTA-HNNXBMFYSA-N 1 0 382.486 -0.704 20 0 GBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000583780665 1072503816 /nfs/dbraw/zinc/50/38/16/1072503816.db2.gz XGCRELYZOVDPTA-OAHLLOKOSA-N 1 0 382.486 -0.704 20 0 GBADRO CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583798365 1072504877 /nfs/dbraw/zinc/50/48/77/1072504877.db2.gz NCARSOVFIKWYHO-HNNXBMFYSA-N 1 0 380.489 -0.485 20 0 GBADRO CC(C)(O)[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583798366 1072505022 /nfs/dbraw/zinc/50/50/22/1072505022.db2.gz NCARSOVFIKWYHO-OAHLLOKOSA-N 1 0 380.489 -0.485 20 0 GBADRO Cn1cc(N2CCN(C(=O)C(=O)N3CCCC34CC[NH+](C)CC4)CC2=O)cn1 ZINC000583798426 1072505191 /nfs/dbraw/zinc/50/51/91/1072505191.db2.gz YKTIYJQTTJYQIF-UHFFFAOYSA-N 1 0 388.472 -0.318 20 0 GBADRO C[NH+]1CCC(CNC(=O)[C@@H]2COCCN2CC(F)F)(N2CCOCC2)CC1 ZINC000583798949 1072504990 /nfs/dbraw/zinc/50/49/90/1072504990.db2.gz LNDAGNSSTYZSDT-HNNXBMFYSA-N 1 0 390.475 -0.135 20 0 GBADRO C[NH+]1CCC(CNC(=O)[C@H]2COCCN2CC(F)F)(N2CCOCC2)CC1 ZINC000583798950 1072504702 /nfs/dbraw/zinc/50/47/02/1072504702.db2.gz LNDAGNSSTYZSDT-OAHLLOKOSA-N 1 0 390.475 -0.135 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583799787 1072505068 /nfs/dbraw/zinc/50/50/68/1072505068.db2.gz ALOYGTXKNPBXKP-UHFFFAOYSA-N 1 0 380.470 -0.235 20 0 GBADRO COc1ccc(OC)c(CN(CCO)C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000583801936 1072504810 /nfs/dbraw/zinc/50/48/10/1072504810.db2.gz FOOQQCKGJGCWNS-UHFFFAOYSA-N 1 0 380.445 -0.361 20 0 GBADRO CCOc1cc(NC2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)ncn1 ZINC000583802088 1072504479 /nfs/dbraw/zinc/50/44/79/1072504479.db2.gz SDJDPHMCVQPLSJ-UHFFFAOYSA-N 1 0 391.476 -0.107 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000583802588 1072505098 /nfs/dbraw/zinc/50/50/98/1072505098.db2.gz IQRPSAXLWYBVEH-KRWDZBQOSA-N 1 0 388.447 -0.229 20 0 GBADRO CN1CCN(C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C[NH3+])C1 ZINC000583802589 1072505151 /nfs/dbraw/zinc/50/51/51/1072505151.db2.gz IQRPSAXLWYBVEH-QGZVFWFLSA-N 1 0 388.447 -0.229 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)N2CCCC2)o1 ZINC000583802653 1072504933 /nfs/dbraw/zinc/50/49/33/1072504933.db2.gz WWPKGFSJYTUWCU-HNNXBMFYSA-N 1 0 391.472 -0.611 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)N2CCCC2)o1 ZINC000583802654 1072505163 /nfs/dbraw/zinc/50/51/63/1072505163.db2.gz WWPKGFSJYTUWCU-OAHLLOKOSA-N 1 0 391.472 -0.611 20 0 GBADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)CCO1 ZINC000583806530 1072505915 /nfs/dbraw/zinc/50/59/15/1072505915.db2.gz UIZVXLLGOZMAKZ-INIZCTEOSA-N 1 0 380.489 -0.186 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)CCO1 ZINC000583806531 1072505604 /nfs/dbraw/zinc/50/56/04/1072505604.db2.gz UIZVXLLGOZMAKZ-MRXNPFEDSA-N 1 0 380.489 -0.186 20 0 GBADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000583806624 1072505769 /nfs/dbraw/zinc/50/57/69/1072505769.db2.gz JNHLQLVVLJYBLH-GOSISDBHSA-N 1 0 376.436 -0.134 20 0 GBADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000583806625 1072505644 /nfs/dbraw/zinc/50/56/44/1072505644.db2.gz JNHLQLVVLJYBLH-SFHVURJKSA-N 1 0 376.436 -0.134 20 0 GBADRO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000583809652 1072505742 /nfs/dbraw/zinc/50/57/42/1072505742.db2.gz YISNJCVUECPGJJ-UHFFFAOYSA-N 1 0 379.442 -0.147 20 0 GBADRO COC[C@]1(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]C1 ZINC000583809971 1072505639 /nfs/dbraw/zinc/50/56/39/1072505639.db2.gz ORDISZVZBCUWFQ-KRWDZBQOSA-N 1 0 382.486 -0.391 20 0 GBADRO COC[C@@]1(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]C1 ZINC000583809972 1072505502 /nfs/dbraw/zinc/50/55/02/1072505502.db2.gz ORDISZVZBCUWFQ-QGZVFWFLSA-N 1 0 382.486 -0.391 20 0 GBADRO O=C(Cn1cc(Br)ccc1=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000583811101 530336965 /nfs/dbraw/zinc/33/69/65/530336965.db2.gz BMMMPLHWWJTJNF-UHFFFAOYSA-N 1 0 382.222 -0.223 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000583813464 1072504565 /nfs/dbraw/zinc/50/45/65/1072504565.db2.gz UEAJOKXCLWCAGM-CYBMUJFWSA-N 1 0 394.419 -0.083 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000583813465 1072504684 /nfs/dbraw/zinc/50/46/84/1072504684.db2.gz UEAJOKXCLWCAGM-ZDUSSCGKSA-N 1 0 394.419 -0.083 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCC([NH2+]CCOC)CC1)CC2 ZINC000583818589 1072506889 /nfs/dbraw/zinc/50/68/89/1072506889.db2.gz LOZAVKBEJNJEOB-DLBZAZTESA-N 1 0 397.516 -0.008 20 0 GBADRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCC([NH2+]CCOC)CC1)CC2 ZINC000583818590 1072506702 /nfs/dbraw/zinc/50/67/02/1072506702.db2.gz LOZAVKBEJNJEOB-IAGOWNOFSA-N 1 0 397.516 -0.008 20 0 GBADRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCC([NH2+]CCOC)CC1)CC2 ZINC000583818591 1072506759 /nfs/dbraw/zinc/50/67/59/1072506759.db2.gz LOZAVKBEJNJEOB-IRXDYDNUSA-N 1 0 397.516 -0.008 20 0 GBADRO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCC([NH2+]CCOC)CC1)CC2 ZINC000583818592 1072506636 /nfs/dbraw/zinc/50/66/36/1072506636.db2.gz LOZAVKBEJNJEOB-SJORKVTESA-N 1 0 397.516 -0.008 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000583823785 1072506964 /nfs/dbraw/zinc/50/69/64/1072506964.db2.gz IGPQFFRVOMZMKA-HTQZYQBOSA-N 1 0 391.375 -0.452 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000583823786 1072507068 /nfs/dbraw/zinc/50/70/68/1072507068.db2.gz IGPQFFRVOMZMKA-JGVFFNPUSA-N 1 0 391.375 -0.452 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000583823787 1072506988 /nfs/dbraw/zinc/50/69/88/1072506988.db2.gz IGPQFFRVOMZMKA-SFYZADRCSA-N 1 0 391.375 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ZINC000583852271 1072510835 /nfs/dbraw/zinc/51/08/35/1072510835.db2.gz VWADZELKNOZCES-UHFFFAOYSA-N 1 0 393.532 -0.401 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCC[NH2+]CC1 ZINC000583860994 1072511404 /nfs/dbraw/zinc/51/14/04/1072511404.db2.gz HABLDMBHOSGBRQ-UHFFFAOYSA-N 1 0 396.517 -0.462 20 0 GBADRO O=C(CNC(=O)C(=O)NCCc1ccc(-n2cccn2)cc1)N1CC[NH2+]CC1 ZINC000583861855 1072511025 /nfs/dbraw/zinc/51/10/25/1072511025.db2.gz GBKODCRVXAJWBA-UHFFFAOYSA-N 1 0 384.440 -0.921 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000583863530 1072511525 /nfs/dbraw/zinc/51/15/25/1072511525.db2.gz JTBFKZXFJKCAOM-UHFFFAOYSA-N 1 0 388.534 -0.137 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000583870809 1072511431 /nfs/dbraw/zinc/51/14/31/1072511431.db2.gz SJUFSZAIVKWLEA-HNNXBMFYSA-N 1 0 399.517 -0.207 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000583870810 1072511550 /nfs/dbraw/zinc/51/15/50/1072511550.db2.gz SJUFSZAIVKWLEA-OAHLLOKOSA-N 1 0 399.517 -0.207 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000583871933 1072511538 /nfs/dbraw/zinc/51/15/38/1072511538.db2.gz IWFKITFBCIUIEJ-CABCVRRESA-N 1 0 393.488 -0.961 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1C ZINC000583872235 1072511668 /nfs/dbraw/zinc/51/16/68/1072511668.db2.gz VFBYZHFLGWBILL-GDBMZVCRSA-N 1 0 394.447 -0.659 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1C ZINC000583872236 1072511373 /nfs/dbraw/zinc/51/13/73/1072511373.db2.gz VFBYZHFLGWBILL-GOEBONIOSA-N 1 0 394.447 -0.659 20 0 GBADRO CNC(=O)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1C ZINC000583872237 1072511812 /nfs/dbraw/zinc/51/18/12/1072511812.db2.gz VFBYZHFLGWBILL-HOCLYGCPSA-N 1 0 394.447 -0.659 20 0 GBADRO CNC(=O)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccc(F)cc1C ZINC000583872238 1072511421 /nfs/dbraw/zinc/51/14/21/1072511421.db2.gz VFBYZHFLGWBILL-ZBFHGGJFSA-N 1 0 394.447 -0.659 20 0 GBADRO C[C@@H](NC(=O)c1c(I)cnn1C)C(=O)NCC[NH+](C)C ZINC000583881373 530344334 /nfs/dbraw/zinc/34/43/34/530344334.db2.gz ABDYZCQZMBOJNN-MRVPVSSYSA-N 1 0 393.229 -0.179 20 0 GBADRO C[C@H](NC(=O)c1c(I)cnn1C)C(=O)NCC[NH+](C)C ZINC000583881374 530344459 /nfs/dbraw/zinc/34/44/59/530344459.db2.gz ABDYZCQZMBOJNN-QMMMGPOBSA-N 1 0 393.229 -0.179 20 0 GBADRO O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1c[nH]cn1 ZINC000583883450 530344570 /nfs/dbraw/zinc/34/45/70/530344570.db2.gz QQHSUZGXDZXHMM-GFCCVEGCSA-N 1 0 377.492 -0.349 20 0 GBADRO O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)Nc1c[nH]cn1 ZINC000583883451 530344490 /nfs/dbraw/zinc/34/44/90/530344490.db2.gz QQHSUZGXDZXHMM-LBPRGKRZSA-N 1 0 377.492 -0.349 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883610 1072513642 /nfs/dbraw/zinc/51/36/42/1072513642.db2.gz WDQMOOBFLCRXMQ-CABCVRRESA-N 1 0 385.424 -0.256 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883611 1072513688 /nfs/dbraw/zinc/51/36/88/1072513688.db2.gz WDQMOOBFLCRXMQ-GJZGRUSLSA-N 1 0 385.424 -0.256 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883612 1072513484 /nfs/dbraw/zinc/51/34/84/1072513484.db2.gz WDQMOOBFLCRXMQ-HUUCEWRRSA-N 1 0 385.424 -0.256 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(NC(=O)C4CC4)c3)CCN2C1=O ZINC000583883613 1072514091 /nfs/dbraw/zinc/51/40/91/1072514091.db2.gz WDQMOOBFLCRXMQ-LSDHHAIUSA-N 1 0 385.424 -0.256 20 0 GBADRO CCNC(=O)COc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1OC ZINC000583884074 1072513670 /nfs/dbraw/zinc/51/36/70/1072513670.db2.gz VHTYDGNIBYRKKT-ZDUSSCGKSA-N 1 0 378.429 -0.696 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000583886097 1072512835 /nfs/dbraw/zinc/51/28/35/1072512835.db2.gz VUBNEYSZFQQYSE-GXTWGEPZSA-N 1 0 398.485 -0.652 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000583886098 1072512142 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VDOGWZZEFRHMNJ-HUUCEWRRSA-N 1 0 386.518 -0.401 20 0 GBADRO CCCCS(=O)(=O)N1CCC(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000583946252 1072517515 /nfs/dbraw/zinc/51/75/15/1072517515.db2.gz VDOGWZZEFRHMNJ-LSDHHAIUSA-N 1 0 386.518 -0.401 20 0 GBADRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000583951053 1072517356 /nfs/dbraw/zinc/51/73/56/1072517356.db2.gz KWVXDKNGJKDZDG-UHFFFAOYSA-N 1 0 395.548 -0.153 20 0 GBADRO Cc1cc(N2CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC2)nc(C)n1 ZINC000583955171 1072518087 /nfs/dbraw/zinc/51/80/87/1072518087.db2.gz HZLXVULZFAGISV-UHFFFAOYSA-N 1 0 392.504 -0.127 20 0 GBADRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000583955312 1072518538 /nfs/dbraw/zinc/51/85/38/1072518538.db2.gz NCWYYZYDODMCCH-UHFFFAOYSA-N 1 0 395.548 -0.009 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000583969258 530073621 /nfs/dbraw/zinc/07/36/21/530073621.db2.gz KSJFKGUNVLHIHY-CYBMUJFWSA-N 1 0 393.535 -0.626 20 0 GBADRO 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Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1-c1ccccc1 ZINC000584183970 1072536589 /nfs/dbraw/zinc/53/65/89/1072536589.db2.gz FMCLOOMCWDIGKM-ZIAGYGMSSA-N 1 0 382.424 -0.204 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1=O ZINC000584186832 1072536031 /nfs/dbraw/zinc/53/60/31/1072536031.db2.gz YKIPTJSZVLERSS-UHFFFAOYSA-N 1 0 395.548 -0.009 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCOC[C@H]3[C@@H]3CCCO3)n2)CC1 ZINC000584191238 1072537284 /nfs/dbraw/zinc/53/72/84/1072537284.db2.gz CUKPLYPOOKXEAS-HOTGVXAUSA-N 1 0 391.472 0.495 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCOC[C@@H]3[C@H]3CCCO3)n2)CC1 ZINC000584191239 1072537053 /nfs/dbraw/zinc/53/70/53/1072537053.db2.gz CUKPLYPOOKXEAS-HZPDHXFCSA-N 1 0 391.472 0.495 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCOC[C@H]3[C@H]3CCCO3)n2)CC1 ZINC000584191240 1072537142 /nfs/dbraw/zinc/53/71/42/1072537142.db2.gz CUKPLYPOOKXEAS-JKSUJKDBSA-N 1 0 391.472 0.495 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000584194859 1072537726 /nfs/dbraw/zinc/53/77/26/1072537726.db2.gz CKKJMIYIYGSHNT-CABCVRRESA-N 1 0 391.472 -0.331 20 0 GBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000584194860 1072537471 /nfs/dbraw/zinc/53/74/71/1072537471.db2.gz CKKJMIYIYGSHNT-GJZGRUSLSA-N 1 0 391.472 -0.331 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000584194861 1072537079 /nfs/dbraw/zinc/53/70/79/1072537079.db2.gz CKKJMIYIYGSHNT-HUUCEWRRSA-N 1 0 391.472 -0.331 20 0 GBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000584194862 1072537126 /nfs/dbraw/zinc/53/71/26/1072537126.db2.gz CKKJMIYIYGSHNT-LSDHHAIUSA-N 1 0 391.472 -0.331 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)C1 ZINC000584197398 1072537789 /nfs/dbraw/zinc/53/77/89/1072537789.db2.gz KXBGDZSFIBMBBJ-BZUAXINKSA-N 1 0 382.505 -0.023 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)C1 ZINC000584197399 1072537560 /nfs/dbraw/zinc/53/75/60/1072537560.db2.gz KXBGDZSFIBMBBJ-OAGGEKHMSA-N 1 0 382.505 -0.023 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000584197400 1072537672 /nfs/dbraw/zinc/53/76/72/1072537672.db2.gz KXBGDZSFIBMBBJ-OWCLPIDISA-N 1 0 382.505 -0.023 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000584197401 1072537027 /nfs/dbraw/zinc/53/70/27/1072537027.db2.gz KXBGDZSFIBMBBJ-PMPSAXMXSA-N 1 0 382.505 -0.023 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000584198274 1072537504 /nfs/dbraw/zinc/53/75/04/1072537504.db2.gz CXXXDQASLDLEIB-BZSNNMDCSA-N 1 0 396.532 -0.075 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000584198275 1072537573 /nfs/dbraw/zinc/53/75/73/1072537573.db2.gz CXXXDQASLDLEIB-FGTMMUONSA-N 1 0 396.532 -0.075 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000584198276 1072537194 /nfs/dbraw/zinc/53/71/94/1072537194.db2.gz CXXXDQASLDLEIB-OKZBNKHCSA-N 1 0 396.532 -0.075 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000584198277 1072537349 /nfs/dbraw/zinc/53/73/49/1072537349.db2.gz CXXXDQASLDLEIB-SQNIBIBYSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000584206016 530089633 /nfs/dbraw/zinc/08/96/33/530089633.db2.gz DMZLWHHJPGVVQE-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000584206017 530089564 /nfs/dbraw/zinc/08/95/64/530089564.db2.gz DMZLWHHJPGVVQE-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000584217884 1072538851 /nfs/dbraw/zinc/53/88/51/1072538851.db2.gz WFPPBAZXTSECKO-KRWDZBQOSA-N 1 0 393.532 -0.304 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000584217885 1072538335 /nfs/dbraw/zinc/53/83/35/1072538335.db2.gz WFPPBAZXTSECKO-QGZVFWFLSA-N 1 0 393.532 -0.304 20 0 GBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000584218083 1072538127 /nfs/dbraw/zinc/53/81/27/1072538127.db2.gz CEBFVEPPHTXIIF-GOSISDBHSA-N 1 0 377.533 -0.080 20 0 GBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCN(C4CC4)CC3)C2)CC1 ZINC000584218084 1072539127 /nfs/dbraw/zinc/53/91/27/1072539127.db2.gz CEBFVEPPHTXIIF-SFHVURJKSA-N 1 0 377.533 -0.080 20 0 GBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC000584219728 1072539066 /nfs/dbraw/zinc/53/90/66/1072539066.db2.gz AOACLFSJRDAJKM-UHFFFAOYSA-N 1 0 395.485 -0.961 20 0 GBADRO COc1cc2c(cc1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)O[C@H](C)C2 ZINC000584221973 1072538402 /nfs/dbraw/zinc/53/84/02/1072538402.db2.gz MNTNROPAXXYYGI-GFCCVEGCSA-N 1 0 390.440 -0.817 20 0 GBADRO COc1cc2c(cc1CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)O[C@@H](C)C2 ZINC000584221974 1072539294 /nfs/dbraw/zinc/53/92/94/1072539294.db2.gz MNTNROPAXXYYGI-LBPRGKRZSA-N 1 0 390.440 -0.817 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000584222355 1072538361 /nfs/dbraw/zinc/53/83/61/1072538361.db2.gz ZPXLKUUOVVDGEZ-UHFFFAOYSA-N 1 0 383.537 -0.107 20 0 GBADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000584222662 530089548 /nfs/dbraw/zinc/08/95/48/530089548.db2.gz ZBPLSQHADMBHGP-GFCCVEGCSA-N 1 0 375.472 -0.606 20 0 GBADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000584222663 530089541 /nfs/dbraw/zinc/08/95/41/530089541.db2.gz ZBPLSQHADMBHGP-LBPRGKRZSA-N 1 0 375.472 -0.606 20 0 GBADRO O=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584226168 1072539346 /nfs/dbraw/zinc/53/93/46/1072539346.db2.gz WCIKMWFJVINXPL-GASCZTMLSA-N 1 0 392.481 -0.803 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c(C)o1 ZINC000584226169 1072539225 /nfs/dbraw/zinc/53/92/25/1072539225.db2.gz WQDAPMOWNXHXCS-HNNXBMFYSA-N 1 0 391.472 -0.718 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c(C)o1 ZINC000584226170 1072538930 /nfs/dbraw/zinc/53/89/30/1072538930.db2.gz WQDAPMOWNXHXCS-OAHLLOKOSA-N 1 0 391.472 -0.718 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000584230645 1072538916 /nfs/dbraw/zinc/53/89/16/1072538916.db2.gz PVTVMDDUNJMEGH-BZPMIXESSA-N 1 0 381.433 -0.262 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584230646 1072540620 /nfs/dbraw/zinc/54/06/20/1072540620.db2.gz PVTVMDDUNJMEGH-MBNYWOFBSA-N 1 0 381.433 -0.262 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000584230647 1072538314 /nfs/dbraw/zinc/53/83/14/1072538314.db2.gz PVTVMDDUNJMEGH-OBJOEFQTSA-N 1 0 381.433 -0.262 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584230648 1072538801 /nfs/dbraw/zinc/53/88/01/1072538801.db2.gz PVTVMDDUNJMEGH-SCRDCRAPSA-N 1 0 381.433 -0.262 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000584232462 1072540169 /nfs/dbraw/zinc/54/01/69/1072540169.db2.gz WCNPOHCACLKASL-AEFFLSMTSA-N 1 0 390.484 -0.777 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000584232463 1072540636 /nfs/dbraw/zinc/54/06/36/1072540636.db2.gz WCNPOHCACLKASL-FUHWJXTLSA-N 1 0 390.484 -0.777 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000584232464 1072539616 /nfs/dbraw/zinc/53/96/16/1072539616.db2.gz WCNPOHCACLKASL-SJLPKXTDSA-N 1 0 390.484 -0.777 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000584232465 1072539873 /nfs/dbraw/zinc/53/98/73/1072539873.db2.gz WCNPOHCACLKASL-WMZOPIPTSA-N 1 0 390.484 -0.777 20 0 GBADRO CN(C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1)S(C)(=O)=O ZINC000584237560 1072540577 /nfs/dbraw/zinc/54/05/77/1072540577.db2.gz DMKUFAFLIRFEBK-HNNXBMFYSA-N 1 0 388.534 -0.296 20 0 GBADRO CN(C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1)S(C)(=O)=O ZINC000584237561 1072540748 /nfs/dbraw/zinc/54/07/48/1072540748.db2.gz DMKUFAFLIRFEBK-OAHLLOKOSA-N 1 0 388.534 -0.296 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000584237772 1072540216 /nfs/dbraw/zinc/54/02/16/1072540216.db2.gz NOHVIHIXBSKBQG-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CC[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@H](C)C1 ZINC000584238707 1072539965 /nfs/dbraw/zinc/53/99/65/1072539965.db2.gz UGMXSGDDMGVANW-LLVKDONJSA-N 1 0 382.442 -0.206 20 0 GBADRO CC[N@@H+]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)[C@@H](C)C1 ZINC000584238708 1072539735 /nfs/dbraw/zinc/53/97/35/1072539735.db2.gz UGMXSGDDMGVANW-NSHDSACASA-N 1 0 382.442 -0.206 20 0 GBADRO C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)NCC[NH+](C)C ZINC000584241494 1072540119 /nfs/dbraw/zinc/54/01/19/1072540119.db2.gz MTQUGUJWYISEGB-CHWSQXEVSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)NCC[NH+](C)C ZINC000584241495 1072539937 /nfs/dbraw/zinc/53/99/37/1072539937.db2.gz MTQUGUJWYISEGB-OLZOCXBDSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)NCC[NH+](C)C ZINC000584241496 1072540100 /nfs/dbraw/zinc/54/01/00/1072540100.db2.gz MTQUGUJWYISEGB-QWHCGFSZSA-N 1 0 383.470 -0.206 20 0 GBADRO C[C@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)NCC[NH+](C)C ZINC000584241497 1072539987 /nfs/dbraw/zinc/53/99/87/1072539987.db2.gz MTQUGUJWYISEGB-STQMWFEESA-N 1 0 383.470 -0.206 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000584248716 1072541675 /nfs/dbraw/zinc/54/16/75/1072541675.db2.gz BBHZTZKZSKDKPL-UHFFFAOYSA-N 1 0 387.550 -0.645 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000584251167 1072541716 /nfs/dbraw/zinc/54/17/16/1072541716.db2.gz ZSFHXVZOTQCAGJ-NRXISQOPSA-N 1 0 386.518 -0.340 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000584251168 1072541146 /nfs/dbraw/zinc/54/11/46/1072541146.db2.gz ZSFHXVZOTQCAGJ-YMAMQOFZSA-N 1 0 386.518 -0.340 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000584251566 1072541832 /nfs/dbraw/zinc/54/18/32/1072541832.db2.gz WJIRRDCMABNFFN-KRWDZBQOSA-N 1 0 395.548 -0.107 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000584251567 1072541774 /nfs/dbraw/zinc/54/17/74/1072541774.db2.gz WJIRRDCMABNFFN-QGZVFWFLSA-N 1 0 395.548 -0.107 20 0 GBADRO C[NH+](C)CCOc1cnccc1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000584253612 1072541818 /nfs/dbraw/zinc/54/18/18/1072541818.db2.gz GBUVDJDHBMHXFR-UHFFFAOYSA-N 1 0 375.433 -0.026 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000584260210 1072541850 /nfs/dbraw/zinc/54/18/50/1072541850.db2.gz UXJZOFOIUPKADZ-FMKPAKJESA-N 1 0 376.461 -0.544 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000584260211 1072541185 /nfs/dbraw/zinc/54/11/85/1072541185.db2.gz UXJZOFOIUPKADZ-LZWOXQAQSA-N 1 0 376.461 -0.544 20 0 GBADRO CSC1(CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC[NH+](C)CC1 ZINC000584265042 530101692 /nfs/dbraw/zinc/10/16/92/530101692.db2.gz KNMSIPFIKXXIDT-UHFFFAOYSA-N 1 0 389.547 -0.050 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cn1C ZINC000584266342 1072542392 /nfs/dbraw/zinc/54/23/92/1072542392.db2.gz AYEHXOPBYBISCZ-CYBMUJFWSA-N 1 0 399.517 -0.281 20 0 GBADRO O=C(CNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)N1CC[NH2+]CC1 ZINC000584281474 1072542628 /nfs/dbraw/zinc/54/26/28/1072542628.db2.gz QDPOYROVPKHQFD-UHFFFAOYSA-N 1 0 395.410 -0.136 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC[NH2+]C1 ZINC000584282008 1072542722 /nfs/dbraw/zinc/54/27/22/1072542722.db2.gz YNCJWSUPZLCTMV-PBHICJAKSA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC[NH2+]C1 ZINC000584282009 1072542752 /nfs/dbraw/zinc/54/27/52/1072542752.db2.gz YNCJWSUPZLCTMV-RHSMWYFYSA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCC[NH2+]C1 ZINC000584282010 1072542745 /nfs/dbraw/zinc/54/27/45/1072542745.db2.gz YNCJWSUPZLCTMV-WMLDXEAASA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCC[NH2+]C1 ZINC000584282011 1072542304 /nfs/dbraw/zinc/54/23/04/1072542304.db2.gz YNCJWSUPZLCTMV-YOEHRIQHSA-N 1 0 386.518 -0.481 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000584285719 1072542532 /nfs/dbraw/zinc/54/25/32/1072542532.db2.gz HRLLCLLRZSXYON-BRWVUGGUSA-N 1 0 391.516 -0.791 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000584285720 1072542513 /nfs/dbraw/zinc/54/25/13/1072542513.db2.gz HRLLCLLRZSXYON-IKGGRYGDSA-N 1 0 391.516 -0.791 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000584285721 1072542569 /nfs/dbraw/zinc/54/25/69/1072542569.db2.gz HRLLCLLRZSXYON-IXDOHACOSA-N 1 0 391.516 -0.791 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000584285722 1072542537 /nfs/dbraw/zinc/54/25/37/1072542537.db2.gz HRLLCLLRZSXYON-ZACQAIPSSA-N 1 0 391.516 -0.791 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc4c(c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000584286578 1072542767 /nfs/dbraw/zinc/54/27/67/1072542767.db2.gz WTJDJSAKZNYVGC-LSDHHAIUSA-N 1 0 385.424 -0.239 20 0 GBADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000584288657 1072543257 /nfs/dbraw/zinc/54/32/57/1072543257.db2.gz ZHPVLOWWWMHUJA-INIZCTEOSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000584288658 1072543312 /nfs/dbraw/zinc/54/33/12/1072543312.db2.gz ZHPVLOWWWMHUJA-MRXNPFEDSA-N 1 0 394.497 -0.222 20 0 GBADRO O=C(CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCc2ccccc21 ZINC000584289143 1072543914 /nfs/dbraw/zinc/54/39/14/1072543914.db2.gz WIZZNMXMHKLKCJ-KRWDZBQOSA-N 1 0 399.495 -0.412 20 0 GBADRO O=C(CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)N1CCc2ccccc21 ZINC000584289144 1072543680 /nfs/dbraw/zinc/54/36/80/1072543680.db2.gz WIZZNMXMHKLKCJ-QGZVFWFLSA-N 1 0 399.495 -0.412 20 0 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O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000584291902 1072543285 /nfs/dbraw/zinc/54/32/85/1072543285.db2.gz MKISKOCZORWVLJ-SCLBCKFNSA-N 1 0 393.465 -0.451 20 0 GBADRO O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000584291903 1072543737 /nfs/dbraw/zinc/54/37/37/1072543737.db2.gz MKISKOCZORWVLJ-UGSOOPFHSA-N 1 0 393.465 -0.451 20 0 GBADRO COc1ccc(CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000584292291 1072543714 /nfs/dbraw/zinc/54/37/14/1072543714.db2.gz CZOLNRQUELAHKW-HNNXBMFYSA-N 1 0 386.474 -0.899 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 ZINC000584296688 1072543351 /nfs/dbraw/zinc/54/33/51/1072543351.db2.gz DFUZGJUEUTTZIZ-UHFFFAOYSA-N 1 0 378.429 -0.040 20 0 GBADRO CCCCN(C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000584302386 1072543857 /nfs/dbraw/zinc/54/38/57/1072543857.db2.gz BYZGJPYTRMYPRG-QLFBSQMISA-N 1 0 386.518 -0.954 20 0 GBADRO 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IMUCFGUGHRSBRY-CQSZACIVSA-N 1 0 386.518 -0.209 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000584348560 1072546118 /nfs/dbraw/zinc/54/61/18/1072546118.db2.gz XRXDJFBLKODMDC-UHFFFAOYSA-N 1 0 396.473 -0.518 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOC[C@H]2C2CCC2)C1 ZINC000584350248 1072546453 /nfs/dbraw/zinc/54/64/53/1072546453.db2.gz ZLJVDXWEIGTWDE-CVEARBPZSA-N 1 0 380.489 -0.283 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOC[C@H]2C2CCC2)C1 ZINC000584350249 1072546185 /nfs/dbraw/zinc/54/61/85/1072546185.db2.gz ZLJVDXWEIGTWDE-HOTGVXAUSA-N 1 0 380.489 -0.283 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOC[C@@H]2C2CCC2)C1 ZINC000584350250 1072546394 /nfs/dbraw/zinc/54/63/94/1072546394.db2.gz ZLJVDXWEIGTWDE-HZPDHXFCSA-N 1 0 380.489 -0.283 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCOC[C@@H]2C2CCC2)C1 ZINC000584350251 1072546646 /nfs/dbraw/zinc/54/66/46/1072546646.db2.gz ZLJVDXWEIGTWDE-JKSUJKDBSA-N 1 0 380.489 -0.283 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000584351790 1072546521 /nfs/dbraw/zinc/54/65/21/1072546521.db2.gz KVMAUMQQLUKGNZ-KRWDZBQOSA-N 1 0 385.486 -0.206 20 0 GBADRO COCC[NH2+]CCNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000584351791 1072546476 /nfs/dbraw/zinc/54/64/76/1072546476.db2.gz KVMAUMQQLUKGNZ-QGZVFWFLSA-N 1 0 385.486 -0.206 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)CC1=O ZINC000584356821 1072547942 /nfs/dbraw/zinc/54/79/42/1072547942.db2.gz FWAKFMZOOCGRGL-AWEZNQCLSA-N 1 0 380.445 -0.387 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CNC(=O)c2ccoc2C)CC1=O ZINC000584356822 1072547296 /nfs/dbraw/zinc/54/72/96/1072547296.db2.gz FWAKFMZOOCGRGL-CQSZACIVSA-N 1 0 380.445 -0.387 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@H](C)S1(=O)=O ZINC000584356928 1072547217 /nfs/dbraw/zinc/54/72/17/1072547217.db2.gz JOVAMSDVUZBRTG-DZGCQCFKSA-N 1 0 389.518 -0.363 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H](C)S1(=O)=O ZINC000584356929 1072547582 /nfs/dbraw/zinc/54/75/82/1072547582.db2.gz JOVAMSDVUZBRTG-HIFRSBDPSA-N 1 0 389.518 -0.363 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@@H](C)S1(=O)=O ZINC000584356930 1072547437 /nfs/dbraw/zinc/54/74/37/1072547437.db2.gz JOVAMSDVUZBRTG-UKRRQHHQSA-N 1 0 389.518 -0.363 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C[C@H](C)S1(=O)=O ZINC000584356931 1072547732 /nfs/dbraw/zinc/54/77/32/1072547732.db2.gz JOVAMSDVUZBRTG-ZFWWWQNUSA-N 1 0 389.518 -0.363 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C)C(=O)C3)cn2)CC1 ZINC000584359011 1072547270 /nfs/dbraw/zinc/54/72/70/1072547270.db2.gz NZEBPVAFXRJNJS-UHFFFAOYSA-N 1 0 388.472 -0.860 20 0 GBADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000584360476 1072548799 /nfs/dbraw/zinc/54/87/99/1072548799.db2.gz IVTPTBKQNMOGJF-CYBMUJFWSA-N 1 0 386.474 -0.519 20 0 GBADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000584360477 1072548696 /nfs/dbraw/zinc/54/86/96/1072548696.db2.gz IVTPTBKQNMOGJF-ZDUSSCGKSA-N 1 0 386.474 -0.519 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)nn2)cc1 ZINC000584362543 1072547469 /nfs/dbraw/zinc/54/74/69/1072547469.db2.gz HGUYOXYYAFLEHK-GDBMZVCRSA-N 1 0 385.428 -0.271 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)nn2)cc1 ZINC000584362544 1072547778 /nfs/dbraw/zinc/54/77/78/1072547778.db2.gz HGUYOXYYAFLEHK-GOEBONIOSA-N 1 0 385.428 -0.271 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)nn2)cc1 ZINC000584362545 1072547622 /nfs/dbraw/zinc/54/76/22/1072547622.db2.gz HGUYOXYYAFLEHK-HOCLYGCPSA-N 1 0 385.428 -0.271 20 0 GBADRO COc1ccc(-n2cc(CNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)nn2)cc1 ZINC000584362546 1072548418 /nfs/dbraw/zinc/54/84/18/1072548418.db2.gz HGUYOXYYAFLEHK-ZBFHGGJFSA-N 1 0 385.428 -0.271 20 0 GBADRO CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1nc(C2CC2)no1 ZINC000584362776 1072548988 /nfs/dbraw/zinc/54/89/88/1072548988.db2.gz YMAOHOWIWSEZNN-AGIUHOORSA-N 1 0 390.444 -0.469 20 0 GBADRO CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1nc(C2CC2)no1 ZINC000584362777 1072548588 /nfs/dbraw/zinc/54/85/88/1072548588.db2.gz YMAOHOWIWSEZNN-AVGNSLFASA-N 1 0 390.444 -0.469 20 0 GBADRO CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1nc(C2CC2)no1 ZINC000584362778 1072548776 /nfs/dbraw/zinc/54/87/76/1072548776.db2.gz YMAOHOWIWSEZNN-UPJWGTAASA-N 1 0 390.444 -0.469 20 0 GBADRO CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1nc(C2CC2)no1 ZINC000584362779 1072548517 /nfs/dbraw/zinc/54/85/17/1072548517.db2.gz YMAOHOWIWSEZNN-XQQFMLRXSA-N 1 0 390.444 -0.469 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000584364830 1072548667 /nfs/dbraw/zinc/54/86/67/1072548667.db2.gz UPFIDXMNADWZDG-CVEARBPZSA-N 1 0 395.504 -0.478 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000584364831 1072548884 /nfs/dbraw/zinc/54/88/84/1072548884.db2.gz UPFIDXMNADWZDG-HOTGVXAUSA-N 1 0 395.504 -0.478 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000584364832 1072548252 /nfs/dbraw/zinc/54/82/52/1072548252.db2.gz UPFIDXMNADWZDG-HZPDHXFCSA-N 1 0 395.504 -0.478 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000584364833 1072549015 /nfs/dbraw/zinc/54/90/15/1072549015.db2.gz UPFIDXMNADWZDG-JKSUJKDBSA-N 1 0 395.504 -0.478 20 0 GBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)C2 ZINC000584373645 1072549828 /nfs/dbraw/zinc/54/98/28/1072549828.db2.gz XSLIZFQPJNFGEI-CVEARBPZSA-N 1 0 390.488 -0.187 20 0 GBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)C2 ZINC000584373646 1072549357 /nfs/dbraw/zinc/54/93/57/1072549357.db2.gz XSLIZFQPJNFGEI-HOTGVXAUSA-N 1 0 390.488 -0.187 20 0 GBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)C2 ZINC000584373647 1072549636 /nfs/dbraw/zinc/54/96/36/1072549636.db2.gz XSLIZFQPJNFGEI-HZPDHXFCSA-N 1 0 390.488 -0.187 20 0 GBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)C2 ZINC000584373648 1072549604 /nfs/dbraw/zinc/54/96/04/1072549604.db2.gz XSLIZFQPJNFGEI-JKSUJKDBSA-N 1 0 390.488 -0.187 20 0 GBADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000584382496 1072550914 /nfs/dbraw/zinc/55/09/14/1072550914.db2.gz YERIATMMWHSPQG-DLBZAZTESA-N 1 0 396.532 -0.529 20 0 GBADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000584382497 1072550281 /nfs/dbraw/zinc/55/02/81/1072550281.db2.gz YERIATMMWHSPQG-IAGOWNOFSA-N 1 0 396.532 -0.529 20 0 GBADRO CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000584382498 1072550769 /nfs/dbraw/zinc/55/07/69/1072550769.db2.gz YERIATMMWHSPQG-IRXDYDNUSA-N 1 0 396.532 -0.529 20 0 GBADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000584382499 1072550304 /nfs/dbraw/zinc/55/03/04/1072550304.db2.gz YERIATMMWHSPQG-SJORKVTESA-N 1 0 396.532 -0.529 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584396713 1072551227 /nfs/dbraw/zinc/55/12/27/1072551227.db2.gz SAXMFIFABVSJCW-BBWFWOEESA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584396714 1072551885 /nfs/dbraw/zinc/55/18/85/1072551885.db2.gz SAXMFIFABVSJCW-GVDBMIGSSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584396715 1072551243 /nfs/dbraw/zinc/55/12/43/1072551243.db2.gz SAXMFIFABVSJCW-ULQDDVLXSA-N 1 0 392.500 -0.173 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584396716 1072551508 /nfs/dbraw/zinc/55/15/08/1072551508.db2.gz SAXMFIFABVSJCW-YESZJQIVSA-N 1 0 392.500 -0.173 20 0 GBADRO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000584400025 1072552961 /nfs/dbraw/zinc/55/29/61/1072552961.db2.gz RZRWOBHVEHSRAO-CABCVRRESA-N 1 0 375.477 -0.093 20 0 GBADRO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000584400026 1072552311 /nfs/dbraw/zinc/55/23/11/1072552311.db2.gz RZRWOBHVEHSRAO-GJZGRUSLSA-N 1 0 375.477 -0.093 20 0 GBADRO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C[NH2+]1 ZINC000584400027 1072552279 /nfs/dbraw/zinc/55/22/79/1072552279.db2.gz RZRWOBHVEHSRAO-HUUCEWRRSA-N 1 0 375.477 -0.093 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000584400028 1072552298 /nfs/dbraw/zinc/55/22/98/1072552298.db2.gz RZRWOBHVEHSRAO-LSDHHAIUSA-N 1 0 375.477 -0.093 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000584400029 1072552707 /nfs/dbraw/zinc/55/27/07/1072552707.db2.gz SFBMNSSZJXMOAA-DLBZAZTESA-N 1 0 375.521 -0.205 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000584400030 1072552393 /nfs/dbraw/zinc/55/23/93/1072552393.db2.gz SFBMNSSZJXMOAA-IAGOWNOFSA-N 1 0 375.521 -0.205 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000584400031 1072552506 /nfs/dbraw/zinc/55/25/06/1072552506.db2.gz SFBMNSSZJXMOAA-IRXDYDNUSA-N 1 0 375.521 -0.205 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000584400032 1072553045 /nfs/dbraw/zinc/55/30/45/1072553045.db2.gz SFBMNSSZJXMOAA-SJORKVTESA-N 1 0 375.521 -0.205 20 0 GBADRO O=C(C(=O)N1CCCN(c2nccs2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584404769 1072552760 /nfs/dbraw/zinc/55/27/60/1072552760.db2.gz XRQAGSRBMGOYDH-HNNXBMFYSA-N 1 0 392.529 -0.312 20 0 GBADRO O=C(C(=O)N1CCCN(c2nccs2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584404770 1072552991 /nfs/dbraw/zinc/55/29/91/1072552991.db2.gz XRQAGSRBMGOYDH-OAHLLOKOSA-N 1 0 392.529 -0.312 20 0 GBADRO C[C@H]1CC2(CN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000584405625 1072553966 /nfs/dbraw/zinc/55/39/66/1072553966.db2.gz RPDZYDHRRORDKY-HNNXBMFYSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@@H]1CC2(CN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000584405626 1072553855 /nfs/dbraw/zinc/55/38/55/1072553855.db2.gz RPDZYDHRRORDKY-OAHLLOKOSA-N 1 0 393.532 -0.354 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cnc21 ZINC000584406692 1072553522 /nfs/dbraw/zinc/55/35/22/1072553522.db2.gz AIICAHVHWJFWEU-GXFFZTMASA-N 1 0 379.442 -0.251 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000584408263 1072553826 /nfs/dbraw/zinc/55/38/26/1072553826.db2.gz DOSZMIWGLWIVFJ-UHFFFAOYSA-N 1 0 380.430 -0.121 20 0 GBADRO C[NH2+][C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cnn(C)c1 ZINC000584409710 1072553919 /nfs/dbraw/zinc/55/39/19/1072553919.db2.gz VNTRNWDTOZNYQB-CABCVRRESA-N 1 0 385.490 -0.666 20 0 GBADRO C[NH2+][C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cnn(C)c1 ZINC000584409713 1072554329 /nfs/dbraw/zinc/55/43/29/1072554329.db2.gz VNTRNWDTOZNYQB-GJZGRUSLSA-N 1 0 385.490 -0.666 20 0 GBADRO C[NH2+][C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cnn(C)c1 ZINC000584409714 1072553835 /nfs/dbraw/zinc/55/38/35/1072553835.db2.gz VNTRNWDTOZNYQB-HUUCEWRRSA-N 1 0 385.490 -0.666 20 0 GBADRO C[NH2+][C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cnn(C)c1 ZINC000584409715 1072553674 /nfs/dbraw/zinc/55/36/74/1072553674.db2.gz VNTRNWDTOZNYQB-LSDHHAIUSA-N 1 0 385.490 -0.666 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000584411344 1072553428 /nfs/dbraw/zinc/55/34/28/1072553428.db2.gz WWRSOZHXDMHGER-CABCVRRESA-N 1 0 383.470 -0.138 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000584411347 1072553622 /nfs/dbraw/zinc/55/36/22/1072553622.db2.gz WWRSOZHXDMHGER-GJZGRUSLSA-N 1 0 383.470 -0.138 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000584411350 1072553562 /nfs/dbraw/zinc/55/35/62/1072553562.db2.gz WWRSOZHXDMHGER-HUUCEWRRSA-N 1 0 383.470 -0.138 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000584411351 1072553987 /nfs/dbraw/zinc/55/39/87/1072553987.db2.gz WWRSOZHXDMHGER-LSDHHAIUSA-N 1 0 383.470 -0.138 20 0 GBADRO CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000584411643 1072553940 /nfs/dbraw/zinc/55/39/40/1072553940.db2.gz NWNNLQCYXBAUBT-CABCVRRESA-N 1 0 381.477 -0.833 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)Cc1ccccc1 ZINC000584414872 1072554951 /nfs/dbraw/zinc/55/49/51/1072554951.db2.gz LQZIWQMFTUKSOA-UHFFFAOYSA-N 1 0 385.424 -0.480 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584416145 1072554854 /nfs/dbraw/zinc/55/48/54/1072554854.db2.gz OLHQHBIXGWDIQO-INIZCTEOSA-N 1 0 390.488 -0.402 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584416146 1072554602 /nfs/dbraw/zinc/55/46/02/1072554602.db2.gz OLHQHBIXGWDIQO-MRXNPFEDSA-N 1 0 390.488 -0.402 20 0 GBADRO COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584421828 1072556104 /nfs/dbraw/zinc/55/61/04/1072556104.db2.gz FPOKGWNKSZECNX-DMDPSCGWSA-N 1 0 378.404 -0.218 20 0 GBADRO COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584421829 1072555756 /nfs/dbraw/zinc/55/57/56/1072555756.db2.gz FPOKGWNKSZECNX-GMXVVIOVSA-N 1 0 378.404 -0.218 20 0 GBADRO COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584421830 1072556234 /nfs/dbraw/zinc/55/62/34/1072556234.db2.gz FPOKGWNKSZECNX-GVXVVHGQSA-N 1 0 378.404 -0.218 20 0 GBADRO COc1cccc(F)c1[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584421831 1072555874 /nfs/dbraw/zinc/55/58/74/1072555874.db2.gz FPOKGWNKSZECNX-LOWVWBTDSA-N 1 0 378.404 -0.218 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422481 1072555915 /nfs/dbraw/zinc/55/59/15/1072555915.db2.gz YOOLPIXENRIZNV-CVEARBPZSA-N 1 0 399.451 -0.800 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422482 1072556150 /nfs/dbraw/zinc/55/61/50/1072556150.db2.gz YOOLPIXENRIZNV-HOTGVXAUSA-N 1 0 399.451 -0.800 20 0 GBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422483 1072556024 /nfs/dbraw/zinc/55/60/24/1072556024.db2.gz YOOLPIXENRIZNV-HZPDHXFCSA-N 1 0 399.451 -0.800 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(N4CCCC4=O)c3)CCN2C1=O ZINC000584422484 1072555582 /nfs/dbraw/zinc/55/55/82/1072555582.db2.gz YOOLPIXENRIZNV-JKSUJKDBSA-N 1 0 399.451 -0.800 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000584425469 1072556884 /nfs/dbraw/zinc/55/68/84/1072556884.db2.gz YNEGJRLMYREYGB-KRWDZBQOSA-N 1 0 396.532 -0.358 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000584425470 1072556533 /nfs/dbraw/zinc/55/65/33/1072556533.db2.gz YNEGJRLMYREYGB-QGZVFWFLSA-N 1 0 396.532 -0.358 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584427067 1072557749 /nfs/dbraw/zinc/55/77/49/1072557749.db2.gz GCKAGSLYLVZNIY-KRWDZBQOSA-N 1 0 383.456 -0.134 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584427068 1072557807 /nfs/dbraw/zinc/55/78/07/1072557807.db2.gz GCKAGSLYLVZNIY-QGZVFWFLSA-N 1 0 383.456 -0.134 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)C2=O)n(C)n1 ZINC000584430760 1072558401 /nfs/dbraw/zinc/55/84/01/1072558401.db2.gz KDIXFHRZDZMODZ-HNNXBMFYSA-N 1 0 388.472 -0.282 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)C2=O)n(C)n1 ZINC000584430761 1072558481 /nfs/dbraw/zinc/55/84/81/1072558481.db2.gz KDIXFHRZDZMODZ-OAHLLOKOSA-N 1 0 388.472 -0.282 20 0 GBADRO C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000584431190 1072558879 /nfs/dbraw/zinc/55/88/79/1072558879.db2.gz YHZBQBJHBQSOFE-INIZCTEOSA-N 1 0 377.489 -0.019 20 0 GBADRO C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000584431191 1072558668 /nfs/dbraw/zinc/55/86/68/1072558668.db2.gz YHZBQBJHBQSOFE-MRXNPFEDSA-N 1 0 377.489 -0.019 20 0 GBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000584437017 1072559856 /nfs/dbraw/zinc/55/98/56/1072559856.db2.gz MUHDZCNRQFNYQZ-UHFFFAOYSA-N 1 0 381.477 -0.234 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000584438319 1072559319 /nfs/dbraw/zinc/55/93/19/1072559319.db2.gz SFHSYLISTGEMOS-INIZCTEOSA-N 1 0 395.548 -0.155 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000584438320 1072559753 /nfs/dbraw/zinc/55/97/53/1072559753.db2.gz SFHSYLISTGEMOS-MRXNPFEDSA-N 1 0 395.548 -0.155 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000584438689 530332030 /nfs/dbraw/zinc/33/20/30/530332030.db2.gz JYWVHXWCUWECKR-KGLIPLIRSA-N 1 0 376.523 -0.379 20 0 GBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000584438690 530331758 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-0.048 20 0 GBADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464756 530343602 /nfs/dbraw/zinc/34/36/02/530343602.db2.gz HQRVHFMVRZVTRE-KFWWJZLASA-N 1 0 381.564 -0.575 20 0 GBADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000584464758 530343418 /nfs/dbraw/zinc/34/34/18/530343418.db2.gz HQRVHFMVRZVTRE-RBSFLKMASA-N 1 0 381.564 -0.575 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000584467658 1072797679 /nfs/dbraw/zinc/79/76/79/1072797679.db2.gz ZBHIBIMATAGGNE-KRWDZBQOSA-N 1 0 390.488 -0.576 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000584467659 1072798079 /nfs/dbraw/zinc/79/80/79/1072798079.db2.gz ZBHIBIMATAGGNE-QGZVFWFLSA-N 1 0 390.488 -0.576 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000584469145 1072799829 /nfs/dbraw/zinc/79/98/29/1072799829.db2.gz MVFUGIWIFDQFAZ-UHFFFAOYSA-N 1 0 384.506 -0.969 20 0 GBADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000584470195 1072801676 /nfs/dbraw/zinc/80/16/76/1072801676.db2.gz ODMMSUTZINCQSZ-AWEZNQCLSA-N 1 0 393.465 -0.237 20 0 GBADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000584470196 1072801202 /nfs/dbraw/zinc/80/12/02/1072801202.db2.gz ODMMSUTZINCQSZ-CQSZACIVSA-N 1 0 393.465 -0.237 20 0 GBADRO CCn1c(=O)c(C(=O)CN(CC[NH3+])CCO)c(N)n(Cc2ccccc2)c1=O ZINC000584470523 1072802673 /nfs/dbraw/zinc/80/26/73/1072802673.db2.gz JQWGBPRGPYTKQD-UHFFFAOYSA-N 1 0 389.456 -0.904 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000584474780 1072808311 /nfs/dbraw/zinc/80/83/11/1072808311.db2.gz HKBQCMDHAXCSFW-GUTXKFCHSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000584474781 1072808942 /nfs/dbraw/zinc/80/89/42/1072808942.db2.gz HKBQCMDHAXCSFW-GZBFAFLISA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000584474782 1072808588 /nfs/dbraw/zinc/80/85/88/1072808588.db2.gz HKBQCMDHAXCSFW-KCQAQPDRSA-N 1 0 386.518 -0.355 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000584474783 1072808204 /nfs/dbraw/zinc/80/82/04/1072808204.db2.gz HKBQCMDHAXCSFW-YDHLFZDLSA-N 1 0 386.518 -0.355 20 0 GBADRO CCCn1c(N)c(C(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)c(=O)[nH]c1=O ZINC000584477849 1072814461 /nfs/dbraw/zinc/81/44/61/1072814461.db2.gz YTGARDUZWKMUFY-UHFFFAOYSA-N 1 0 381.477 -0.051 20 0 GBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000584483916 1072824291 /nfs/dbraw/zinc/82/42/91/1072824291.db2.gz IXRMGWBLZFFNJH-GOSISDBHSA-N 1 0 399.561 -0.791 20 0 GBADRO CN(C)C(=O)CN1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000584483917 1072824511 /nfs/dbraw/zinc/82/45/11/1072824511.db2.gz IXRMGWBLZFFNJH-SFHVURJKSA-N 1 0 399.561 -0.791 20 0 GBADRO COc1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccn1 ZINC000584486056 1072827813 /nfs/dbraw/zinc/82/78/13/1072827813.db2.gz NVUGYTUVHBWHHQ-AWEZNQCLSA-N 1 0 377.445 -0.590 20 0 GBADRO COc1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccn1 ZINC000584486057 1072827590 /nfs/dbraw/zinc/82/75/90/1072827590.db2.gz NVUGYTUVHBWHHQ-CQSZACIVSA-N 1 0 377.445 -0.590 20 0 GBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584489856 1072839832 /nfs/dbraw/zinc/83/98/32/1072839832.db2.gz UUBPFAHGNLDTFB-HNNXBMFYSA-N 1 0 386.518 -0.211 20 0 GBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584489857 1072839256 /nfs/dbraw/zinc/83/92/56/1072839256.db2.gz UUBPFAHGNLDTFB-OAHLLOKOSA-N 1 0 386.518 -0.211 20 0 GBADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000584503131 1072878651 /nfs/dbraw/zinc/87/86/51/1072878651.db2.gz QYNAJUMDRLYRPM-OAHLLOKOSA-N 1 0 391.538 -0.381 20 0 GBADRO C[C@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@@H+](C2CCC2)C1 ZINC000584506335 1072955837 /nfs/dbraw/zinc/95/58/37/1072955837.db2.gz LUJOSGWRMODLLC-KBPBESRZSA-N 1 0 386.518 -0.195 20 0 GBADRO C[C@@H]1CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@@H+](C2CCC2)C1 ZINC000584506336 1072956200 /nfs/dbraw/zinc/95/62/00/1072956200.db2.gz LUJOSGWRMODLLC-KGLIPLIRSA-N 1 0 386.518 -0.195 20 0 GBADRO C[C@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[N@@H+](C2CCC2)C1 ZINC000584506337 1072955967 /nfs/dbraw/zinc/95/59/67/1072955967.db2.gz LUJOSGWRMODLLC-UONOGXRCSA-N 1 0 386.518 -0.195 20 0 GBADRO C[C@@H]1CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[N@@H+](C2CCC2)C1 ZINC000584506338 1072955765 /nfs/dbraw/zinc/95/57/65/1072955765.db2.gz LUJOSGWRMODLLC-ZIAGYGMSSA-N 1 0 386.518 -0.195 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000584519032 1073045110 /nfs/dbraw/zinc/04/51/10/1073045110.db2.gz QXYHLELQJJRZJX-OAHLLOKOSA-N 1 0 396.517 -0.415 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc21 ZINC000584524032 1073129012 /nfs/dbraw/zinc/12/90/12/1073129012.db2.gz ZHQITLPVLALWDW-GASCZTMLSA-N 1 0 392.481 -0.527 20 0 GBADRO Cn1c2c(ccn2CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000584524044 1073130002 /nfs/dbraw/zinc/13/00/02/1073130002.db2.gz BFXFUICGEDBLES-JKSUJKDBSA-N 1 0 381.436 -0.090 20 0 GBADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000584524885 530343797 /nfs/dbraw/zinc/34/37/97/530343797.db2.gz MFLWOTJAOMELOE-GFCCVEGCSA-N 1 0 375.413 -0.069 20 0 GBADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000584524886 530344133 /nfs/dbraw/zinc/34/41/33/530344133.db2.gz MFLWOTJAOMELOE-LBPRGKRZSA-N 1 0 375.413 -0.069 20 0 GBADRO CNC(=O)COc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1OC ZINC000584528723 1073170247 /nfs/dbraw/zinc/17/02/47/1073170247.db2.gz QSRSVRPBISBLAQ-UHFFFAOYSA-N 1 0 389.416 -0.400 20 0 GBADRO CNC(=O)[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)Cc1ccc(OC)c(F)c1 ZINC000584528855 1073163252 /nfs/dbraw/zinc/16/32/52/1073163252.db2.gz BICZSBYRTFAUFY-CYBMUJFWSA-N 1 0 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[NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ncccc3Br)CCN2C1=O ZINC000594875081 530170491 /nfs/dbraw/zinc/17/04/91/530170491.db2.gz QYYKFWKKVNLEHY-PSASIEDQSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ncccc3Br)CCN2C1=O ZINC000594875082 530170413 /nfs/dbraw/zinc/17/04/13/530170413.db2.gz QYYKFWKKVNLEHY-SCZZXKLOSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ncccc3Br)CCN2C1=O ZINC000594875083 530170524 /nfs/dbraw/zinc/17/05/24/530170524.db2.gz QYYKFWKKVNLEHY-WCBMZHEXSA-N 1 0 375.248 -0.223 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ncccc3Br)CCN2C1=O ZINC000594875084 530170397 /nfs/dbraw/zinc/17/03/97/530170397.db2.gz QYYKFWKKVNLEHY-WPRPVWTQSA-N 1 0 375.248 -0.223 20 0 GBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000594875735 530170481 /nfs/dbraw/zinc/17/04/81/530170481.db2.gz WOGFWRQTHFEVEY-BXUZGUMPSA-N 1 0 387.483 -0.587 20 0 GBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000594875737 530170425 /nfs/dbraw/zinc/17/04/25/530170425.db2.gz WOGFWRQTHFEVEY-FZMZJTMJSA-N 1 0 387.483 -0.587 20 0 GBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000594875740 530170366 /nfs/dbraw/zinc/17/03/66/530170366.db2.gz WOGFWRQTHFEVEY-RISCZKNCSA-N 1 0 387.483 -0.587 20 0 GBADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000594875743 530170429 /nfs/dbraw/zinc/17/04/29/530170429.db2.gz WOGFWRQTHFEVEY-SMDDNHRTSA-N 1 0 387.483 -0.587 20 0 GBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCN2C1=O ZINC000594878661 530170357 /nfs/dbraw/zinc/17/03/57/530170357.db2.gz ANZNJQXGDXGJDZ-BDAKNGLRSA-N 1 0 392.890 -0.550 20 0 GBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCN2C1=O ZINC000594878662 530170409 /nfs/dbraw/zinc/17/04/09/530170409.db2.gz ANZNJQXGDXGJDZ-DTWKUNHWSA-N 1 0 392.890 -0.550 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CCN2C1=O ZINC000594878663 530170566 /nfs/dbraw/zinc/17/05/66/530170566.db2.gz 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CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(C)C[C@H]3COCCO3)C2)CC1 ZINC000595175642 1073446583 /nfs/dbraw/zinc/44/65/83/1073446583.db2.gz ZWJLMFSXRPKMIM-IRXDYDNUSA-N 1 0 382.505 -0.513 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C ZINC000595232566 1073448750 /nfs/dbraw/zinc/44/87/50/1073448750.db2.gz VXDKANPBFILDHI-CHWSQXEVSA-N 1 0 381.458 -0.321 20 0 GBADRO COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000595238587 1073448687 /nfs/dbraw/zinc/44/86/87/1073448687.db2.gz GHELKEFVHOJWDT-HNNXBMFYSA-N 1 0 391.424 -0.188 20 0 GBADRO COC(=O)c1csc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000595240406 1073448833 /nfs/dbraw/zinc/44/88/33/1073448833.db2.gz NMJRHOMLGLKMIS-GXSJLCMTSA-N 1 0 380.426 -0.448 20 0 GBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Cn4cccn4)c3)CCN2C1=O ZINC000595242282 1073448703 /nfs/dbraw/zinc/44/87/03/1073448703.db2.gz PPLGMDQPUPIDTQ-HOTGVXAUSA-N 1 0 382.424 -0.360 20 0 GBADRO CCCCOc1ncccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595277227 1073448486 /nfs/dbraw/zinc/44/84/86/1073448486.db2.gz HZOYPFLSONPTRE-CABCVRRESA-N 1 0 389.456 -0.353 20 0 GBADRO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCC2([NH3+])CCCC2)cn1 ZINC000595277619 1073448785 /nfs/dbraw/zinc/44/87/85/1073448785.db2.gz BXQWVZLIFBZAOE-AWEZNQCLSA-N 1 0 397.501 -0.411 20 0 GBADRO COc1ccc(CC[C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000595278109 1073449259 /nfs/dbraw/zinc/44/92/59/1073449259.db2.gz CCVPXODCUFINRY-JLJPHGGASA-N 1 0 388.468 -0.097 20 0 GBADRO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000595311515 530171933 /nfs/dbraw/zinc/17/19/33/530171933.db2.gz HLBIFPCJEUXSPF-CHWSQXEVSA-N 1 0 376.479 -0.954 20 0 GBADRO COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000595311518 530171806 /nfs/dbraw/zinc/17/18/06/530171806.db2.gz HLBIFPCJEUXSPF-OLZOCXBDSA-N 1 0 376.479 -0.954 20 0 GBADRO 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KEHRLYHDYWJZBJ-KXBFYZLASA-N 1 0 382.505 -0.212 20 0 GBADRO CSC1(CNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CC[NH+](C)CC1 ZINC000602312877 530188825 /nfs/dbraw/zinc/18/88/25/530188825.db2.gz CANWLFUJHHIZDS-CYBMUJFWSA-N 1 0 394.563 -0.227 20 0 GBADRO CSC1(CNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CC[NH+](C)CC1 ZINC000602312878 530189212 /nfs/dbraw/zinc/18/92/12/530189212.db2.gz CANWLFUJHHIZDS-ZDUSSCGKSA-N 1 0 394.563 -0.227 20 0 GBADRO Cn1cc(I)c(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000602325728 530188752 /nfs/dbraw/zinc/18/87/52/530188752.db2.gz RGCPKMZJHMVKPR-SECBINFHSA-N 1 0 393.229 -0.110 20 0 GBADRO Cn1cc(I)c(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000602325729 530189131 /nfs/dbraw/zinc/18/91/31/530189131.db2.gz RGCPKMZJHMVKPR-VIFPVBQESA-N 1 0 393.229 -0.110 20 0 GBADRO CNS(=O)(=O)CCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602400820 530189117 /nfs/dbraw/zinc/18/91/17/530189117.db2.gz FFRZEWVYNQIMJM-HNNXBMFYSA-N 1 0 375.539 -0.264 20 0 GBADRO CNS(=O)(=O)CCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602400831 530189102 /nfs/dbraw/zinc/18/91/02/530189102.db2.gz FFRZEWVYNQIMJM-OAHLLOKOSA-N 1 0 375.539 -0.264 20 0 GBADRO COC[C@H]([NH3+])C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602584997 530189148 /nfs/dbraw/zinc/18/91/48/530189148.db2.gz ASJZVMWQUAXWTL-JTQLQIEISA-N 1 0 391.213 -0.297 20 0 GBADRO O=C(N1CCN(c2ncc(I)cn2)CC1)C1(O)C[NH2+]C1 ZINC000602586303 530189079 /nfs/dbraw/zinc/18/90/79/530189079.db2.gz PJRLOIVIDUXXBK-UHFFFAOYSA-N 1 0 389.197 -0.936 20 0 GBADRO [NH3+]CCOCC(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602587335 530189120 /nfs/dbraw/zinc/18/91/20/530189120.db2.gz ZXCJNJABSIWGGT-UHFFFAOYSA-N 1 0 391.213 -0.295 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)s1 ZINC000602648329 530189068 /nfs/dbraw/zinc/18/90/68/530189068.db2.gz PBMOOBPEOKOLEU-UHFFFAOYSA-N 1 0 390.531 -0.382 20 0 GBADRO COC(=O)CC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000602764999 530188874 /nfs/dbraw/zinc/18/88/74/530188874.db2.gz SXPYLQVUGLLWNV-UHFFFAOYSA-N 1 0 375.491 -0.198 20 0 GBADRO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602771323 530188858 /nfs/dbraw/zinc/18/88/58/530188858.db2.gz GIEPFLGWQUTMNB-AWEZNQCLSA-N 1 0 375.491 -0.056 20 0 GBADRO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602771324 530189204 /nfs/dbraw/zinc/18/92/04/530189204.db2.gz GIEPFLGWQUTMNB-CQSZACIVSA-N 1 0 375.491 -0.056 20 0 GBADRO COC(=O)[C@H](C)C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000602773024 530189217 /nfs/dbraw/zinc/18/92/17/530189217.db2.gz YKBCETASWKQCMQ-GFCCVEGCSA-N 1 0 375.491 -0.200 20 0 GBADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000602773025 530189138 /nfs/dbraw/zinc/18/91/38/530189138.db2.gz YKBCETASWKQCMQ-LBPRGKRZSA-N 1 0 375.491 -0.200 20 0 GBADRO CS[C@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1[NH+](C)C ZINC000602799876 530189673 /nfs/dbraw/zinc/18/96/73/530189673.db2.gz QSMBSJUYODOAFJ-KBPBESRZSA-N 1 0 378.564 -0.496 20 0 GBADRO CS[C@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1[NH+](C)C ZINC000602799877 530189601 /nfs/dbraw/zinc/18/96/01/530189601.db2.gz QSMBSJUYODOAFJ-KGLIPLIRSA-N 1 0 378.564 -0.496 20 0 GBADRO CS[C@@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1[NH+](C)C ZINC000602799878 530189329 /nfs/dbraw/zinc/18/93/29/530189329.db2.gz QSMBSJUYODOAFJ-UONOGXRCSA-N 1 0 378.564 -0.496 20 0 GBADRO CS[C@@H]1CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1[NH+](C)C ZINC000602799879 530189588 /nfs/dbraw/zinc/18/95/88/530189588.db2.gz QSMBSJUYODOAFJ-ZIAGYGMSSA-N 1 0 378.564 -0.496 20 0 GBADRO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000602845128 530189543 /nfs/dbraw/zinc/18/95/43/530189543.db2.gz FNRRZTFHUJGCEQ-INIZCTEOSA-N 1 0 375.491 -0.198 20 0 GBADRO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000602845132 530189698 /nfs/dbraw/zinc/18/96/98/530189698.db2.gz FNRRZTFHUJGCEQ-MRXNPFEDSA-N 1 0 375.491 -0.198 20 0 GBADRO COC(=O)[C@@]1(C)C[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000602929511 530189497 /nfs/dbraw/zinc/18/94/97/530189497.db2.gz QTBHKOLNVTYNOG-LRDDRELGSA-N 1 0 375.491 -0.342 20 0 GBADRO COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000602970497 1073569501 /nfs/dbraw/zinc/56/95/01/1073569501.db2.gz AAYJMOBHCXTUIM-HNNXBMFYSA-N 1 0 389.518 -0.363 20 0 GBADRO COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000602970498 1073569843 /nfs/dbraw/zinc/56/98/43/1073569843.db2.gz AAYJMOBHCXTUIM-OAHLLOKOSA-N 1 0 389.518 -0.363 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)OC)CC1 ZINC000602971939 530189604 /nfs/dbraw/zinc/18/96/04/530189604.db2.gz CINYJNPBICWFPD-AWEZNQCLSA-N 1 0 375.491 -0.751 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCS(=O)(=O)C[C@H]2CC(=O)OC)CC1 ZINC000602971940 530189558 /nfs/dbraw/zinc/18/95/58/530189558.db2.gz CINYJNPBICWFPD-CQSZACIVSA-N 1 0 375.491 -0.751 20 0 GBADRO Cn1cc(I)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000603144836 530190251 /nfs/dbraw/zinc/19/02/51/530190251.db2.gz IXIMFFBQCITCCK-DTWKUNHWSA-N 1 0 376.198 -0.084 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000603321784 530190677 /nfs/dbraw/zinc/19/06/77/530190677.db2.gz CZDLUDKQVDEVFO-RRFJBIMHSA-N 1 0 375.491 -0.642 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000603321788 530190534 /nfs/dbraw/zinc/19/05/34/530190534.db2.gz CZDLUDKQVDEVFO-ZNMIVQPWSA-N 1 0 375.491 -0.642 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC000603324052 530190644 /nfs/dbraw/zinc/19/06/44/530190644.db2.gz QEMZCFCDEALLFE-CABCVRRESA-N 1 0 377.507 -0.536 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC000603324054 530190864 /nfs/dbraw/zinc/19/08/64/530190864.db2.gz QEMZCFCDEALLFE-GJZGRUSLSA-N 1 0 377.507 -0.536 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCOC[C@H]1C ZINC000603324055 530190856 /nfs/dbraw/zinc/19/08/56/530190856.db2.gz QEMZCFCDEALLFE-HUUCEWRRSA-N 1 0 377.507 -0.536 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC000603324057 530190564 /nfs/dbraw/zinc/19/05/64/530190564.db2.gz QEMZCFCDEALLFE-LSDHHAIUSA-N 1 0 377.507 -0.536 20 0 GBADRO COC(=O)C1CCN(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000603401819 530190548 /nfs/dbraw/zinc/19/05/48/530190548.db2.gz JJSUIJQERDTHNA-UHFFFAOYSA-N 1 0 376.523 -0.267 20 0 GBADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603404716 530190737 /nfs/dbraw/zinc/19/07/37/530190737.db2.gz YBUBFDGEKCSJCX-HNNXBMFYSA-N 1 0 376.523 -0.124 20 0 GBADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603404717 530190536 /nfs/dbraw/zinc/19/05/36/530190536.db2.gz YBUBFDGEKCSJCX-OAHLLOKOSA-N 1 0 376.523 -0.124 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000603525292 530190908 /nfs/dbraw/zinc/19/09/08/530190908.db2.gz JKPQNDNUDVZDKY-HNNXBMFYSA-N 1 0 375.539 -0.263 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000603525293 530190609 /nfs/dbraw/zinc/19/06/09/530190609.db2.gz JKPQNDNUDVZDKY-OAHLLOKOSA-N 1 0 375.539 -0.263 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000603535510 530191166 /nfs/dbraw/zinc/19/11/66/530191166.db2.gz MDXWSHFZWZDVRG-CHWSQXEVSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000603535511 530191183 /nfs/dbraw/zinc/19/11/83/530191183.db2.gz MDXWSHFZWZDVRG-OLZOCXBDSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000603535512 530191343 /nfs/dbraw/zinc/19/13/43/530191343.db2.gz MDXWSHFZWZDVRG-QWHCGFSZSA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000603535513 530191085 /nfs/dbraw/zinc/19/10/85/530191085.db2.gz MDXWSHFZWZDVRG-STQMWFEESA-N 1 0 375.495 -0.951 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000603587350 530191281 /nfs/dbraw/zinc/19/12/81/530191281.db2.gz KFUFXGXTLJBEGH-AWEZNQCLSA-N 1 0 375.539 -0.264 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000603587351 530191242 /nfs/dbraw/zinc/19/12/42/530191242.db2.gz KFUFXGXTLJBEGH-CQSZACIVSA-N 1 0 375.539 -0.264 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000603668054 530191098 /nfs/dbraw/zinc/19/10/98/530191098.db2.gz ZOALRIMJHKUHKK-AWEZNQCLSA-N 1 0 375.491 -0.198 20 0 GBADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000603668055 530191226 /nfs/dbraw/zinc/19/12/26/530191226.db2.gz ZOALRIMJHKUHKK-CQSZACIVSA-N 1 0 375.491 -0.198 20 0 GBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000603766080 530191624 /nfs/dbraw/zinc/19/16/24/530191624.db2.gz IPUYBZSDFRYGEJ-UHFFFAOYSA-N 1 0 377.511 -0.769 20 0 GBADRO Cn1c(C(=O)NCCCN2CCC[N@H+](C)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000603896835 1073586744 /nfs/dbraw/zinc/58/67/44/1073586744.db2.gz RZAGLSMSOFXHQL-UHFFFAOYSA-N 1 0 390.488 -0.667 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000603933030 530191621 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OGFJVZKUCIUHLH-JKSUJKDBSA-N 1 0 375.535 -0.174 20 0 GBADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)CCCS(C)(=O)=O)ccn2)CC1 ZINC000607158483 530210912 /nfs/dbraw/zinc/21/09/12/530210912.db2.gz PCQSINUHKARAPP-UHFFFAOYSA-N 1 0 390.531 -0.313 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000607159263 530210878 /nfs/dbraw/zinc/21/08/78/530210878.db2.gz JEOJIDOPRDLKON-UHFFFAOYSA-N 1 0 383.536 -0.763 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000607229332 530213225 /nfs/dbraw/zinc/21/32/25/530213225.db2.gz QFTWYBZJAVDZIM-UHFFFAOYSA-N 1 0 376.523 -0.006 20 0 GBADRO CCCS(=O)(=O)N1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000607229736 530213377 /nfs/dbraw/zinc/21/33/77/530213377.db2.gz HTGGJNZHWULNGB-UHFFFAOYSA-N 1 0 376.523 -0.054 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000607240138 530214186 /nfs/dbraw/zinc/21/41/86/530214186.db2.gz QMKDQQQBSZGJPZ-UHFFFAOYSA-N 1 0 376.523 -0.100 20 0 GBADRO C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000607286606 530217760 /nfs/dbraw/zinc/21/77/60/530217760.db2.gz IIPFCLHKXFOUJX-GFCCVEGCSA-N 1 0 376.504 -0.752 20 0 GBADRO C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000607286609 530217731 /nfs/dbraw/zinc/21/77/31/530217731.db2.gz IIPFCLHKXFOUJX-LBPRGKRZSA-N 1 0 376.504 -0.752 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000607719407 530073785 /nfs/dbraw/zinc/07/37/85/530073785.db2.gz UTPXMKHCVYICAR-UHFFFAOYSA-N 1 0 376.523 -0.331 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000607719782 530073929 /nfs/dbraw/zinc/07/39/29/530073929.db2.gz SMBHZHAOFYGYNH-AWEZNQCLSA-N 1 0 376.523 -0.331 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000607719783 530073681 /nfs/dbraw/zinc/07/36/81/530073681.db2.gz SMBHZHAOFYGYNH-CQSZACIVSA-N 1 0 376.523 -0.331 20 0 GBADRO C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000607724518 530073664 /nfs/dbraw/zinc/07/36/64/530073664.db2.gz 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CC[NH+](CC)[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000608422457 530284851 /nfs/dbraw/zinc/28/48/51/530284851.db2.gz WTDCUQSUBQSESK-OAHLLOKOSA-N 1 0 375.539 -0.311 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000608640011 530288491 /nfs/dbraw/zinc/28/84/91/530288491.db2.gz DIEMTTJUTDCKDH-HNNXBMFYSA-N 1 0 377.555 -0.159 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000608640013 530288389 /nfs/dbraw/zinc/28/83/89/530288389.db2.gz DIEMTTJUTDCKDH-OAHLLOKOSA-N 1 0 377.555 -0.159 20 0 GBADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000608661040 530288333 /nfs/dbraw/zinc/28/83/33/530288333.db2.gz GCWWQGARAFODKE-CABCVRRESA-N 1 0 375.539 -0.312 20 0 GBADRO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000608661041 530288559 /nfs/dbraw/zinc/28/85/59/530288559.db2.gz GCWWQGARAFODKE-GJZGRUSLSA-N 1 0 375.539 -0.312 20 0 GBADRO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000608661042 530288308 /nfs/dbraw/zinc/28/83/08/530288308.db2.gz GCWWQGARAFODKE-HUUCEWRRSA-N 1 0 375.539 -0.312 20 0 GBADRO C[C@H]1C[C@H](N(C)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000608661043 530288512 /nfs/dbraw/zinc/28/85/12/530288512.db2.gz GCWWQGARAFODKE-LSDHHAIUSA-N 1 0 375.539 -0.312 20 0 GBADRO C[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)C[NH+]1CCN(C)CC1 ZINC000608664440 530288477 /nfs/dbraw/zinc/28/84/77/530288477.db2.gz CFRWACRAKCETEC-HNNXBMFYSA-N 1 0 375.539 -0.405 20 0 GBADRO C[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)C[NH+]1CCN(C)CC1 ZINC000608664441 530288509 /nfs/dbraw/zinc/28/85/09/530288509.db2.gz CFRWACRAKCETEC-OAHLLOKOSA-N 1 0 375.539 -0.405 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000608676555 530288956 /nfs/dbraw/zinc/28/89/56/530288956.db2.gz NWYNYVNACIIGTN-AWEZNQCLSA-N 1 0 377.555 -0.113 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000608676557 530288937 /nfs/dbraw/zinc/28/89/37/530288937.db2.gz NWYNYVNACIIGTN-CQSZACIVSA-N 1 0 377.555 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1 0 376.523 -0.172 20 0 GBADRO NC(=O)NC(=O)CCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000610004844 1073529924 /nfs/dbraw/zinc/52/99/24/1073529924.db2.gz MGCVTORBPJNTRK-UHFFFAOYSA-N 1 0 377.449 -0.590 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 ZINC000610261937 1072272925 /nfs/dbraw/zinc/27/29/25/1072272925.db2.gz WZFQKKSTHDQCQS-CQSZACIVSA-N 1 0 386.474 -0.069 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000610262143 1072272615 /nfs/dbraw/zinc/27/26/15/1072272615.db2.gz UBJGJNYBQVMSFX-AWEZNQCLSA-N 1 0 399.473 -0.841 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000610264080 1072277488 /nfs/dbraw/zinc/27/74/88/1072277488.db2.gz SAQSCYAVEPMGRO-AWEZNQCLSA-N 1 0 385.490 -0.543 20 0 GBADRO COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000610264081 1072277515 /nfs/dbraw/zinc/27/75/15/1072277515.db2.gz SAQSCYAVEPMGRO-CQSZACIVSA-N 1 0 385.490 -0.543 20 0 GBADRO CC[NH+](CC)CCSCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 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SEWUFGZYDKHWKE-MRXNPFEDSA-N 1 0 395.504 -0.407 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000612054995 1072657724 /nfs/dbraw/zinc/65/77/24/1072657724.db2.gz ZXGOICPECFETNG-BFYDXBDKSA-N 1 0 383.489 -0.858 20 0 GBADRO CN1NN=C2C1=NCC[C@H]2C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000612055570 1072657980 /nfs/dbraw/zinc/65/79/80/1072657980.db2.gz AMUIKQDBQDHXAY-CHWSQXEVSA-N 1 0 384.506 -0.822 20 0 GBADRO CN1NN=C2C1=NCC[C@@H]2C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000612055572 1072658090 /nfs/dbraw/zinc/65/80/90/1072658090.db2.gz AMUIKQDBQDHXAY-OLZOCXBDSA-N 1 0 384.506 -0.822 20 0 GBADRO CN1NN=C2C1=NCC[C@H]2C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000612055573 1072657504 /nfs/dbraw/zinc/65/75/04/1072657504.db2.gz AMUIKQDBQDHXAY-QWHCGFSZSA-N 1 0 384.506 -0.822 20 0 GBADRO CN1NN=C2C1=NCC[C@@H]2C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000612055574 1072657934 /nfs/dbraw/zinc/65/79/34/1072657934.db2.gz AMUIKQDBQDHXAY-STQMWFEESA-N 1 0 384.506 -0.822 20 0 GBADRO C[NH+](C)CCCN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000612055831 1072657771 /nfs/dbraw/zinc/65/77/71/1072657771.db2.gz CGUHILSSAXGMDW-CYBMUJFWSA-N 1 0 386.522 -0.062 20 0 GBADRO C[NH+](C)CCCN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000612055833 1072657657 /nfs/dbraw/zinc/65/76/57/1072657657.db2.gz CGUHILSSAXGMDW-ZDUSSCGKSA-N 1 0 386.522 -0.062 20 0 GBADRO C[NH+](C)CCCN(C(=O)CN1CCN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000612055948 1072657913 /nfs/dbraw/zinc/65/79/13/1072657913.db2.gz FKVLJHLNTSDMOI-HNNXBMFYSA-N 1 0 386.518 -0.146 20 0 GBADRO C[NH+](C)CCCN(C(=O)CN1CCN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000612055952 1072657609 /nfs/dbraw/zinc/65/76/09/1072657609.db2.gz FKVLJHLNTSDMOI-OAHLLOKOSA-N 1 0 386.518 -0.146 20 0 GBADRO CCC[C@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC000612057163 530356771 /nfs/dbraw/zinc/35/67/71/530356771.db2.gz NNOUMBMNKRVVAS-CHWSQXEVSA-N 1 0 383.536 -0.589 20 0 GBADRO CCC[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC000612057166 530356767 /nfs/dbraw/zinc/35/67/67/530356767.db2.gz NNOUMBMNKRVVAS-OLZOCXBDSA-N 1 0 383.536 -0.589 20 0 GBADRO CCC[C@H](C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC000612057168 530356823 /nfs/dbraw/zinc/35/68/23/530356823.db2.gz NNOUMBMNKRVVAS-QWHCGFSZSA-N 1 0 383.536 -0.589 20 0 GBADRO CCC[C@@H](C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC000612057170 530356820 /nfs/dbraw/zinc/35/68/20/530356820.db2.gz NNOUMBMNKRVVAS-STQMWFEESA-N 1 0 383.536 -0.589 20 0 GBADRO CCS(=O)(=O)N[C@H](C)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000612057411 530356751 /nfs/dbraw/zinc/35/67/51/530356751.db2.gz PPFNSQHBXRVSEL-CHWSQXEVSA-N 1 0 383.536 -0.718 20 0 GBADRO CCS(=O)(=O)N[C@H](C)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000612057412 530356951 /nfs/dbraw/zinc/35/69/51/530356951.db2.gz PPFNSQHBXRVSEL-OLZOCXBDSA-N 1 0 383.536 -0.718 20 0 GBADRO 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ZINC000612439330 1072818394 /nfs/dbraw/zinc/81/83/94/1072818394.db2.gz GXJUQNZOSVIHJE-INIZCTEOSA-N 1 0 393.532 -0.210 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612439331 1072818490 /nfs/dbraw/zinc/81/84/90/1072818490.db2.gz GXJUQNZOSVIHJE-MRXNPFEDSA-N 1 0 393.532 -0.210 20 0 GBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612440614 1072818192 /nfs/dbraw/zinc/81/81/92/1072818192.db2.gz SBXOXNJNWIKAHX-HNNXBMFYSA-N 1 0 380.489 -0.173 20 0 GBADRO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612440615 1072818094 /nfs/dbraw/zinc/81/80/94/1072818094.db2.gz SBXOXNJNWIKAHX-OAHLLOKOSA-N 1 0 380.489 -0.173 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612442887 1072819652 /nfs/dbraw/zinc/81/96/52/1072819652.db2.gz BKDUXHDFEMXBQK-AWEZNQCLSA-N 1 0 386.518 -0.387 20 0 GBADRO CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612442888 1072819815 /nfs/dbraw/zinc/81/98/15/1072819815.db2.gz BKDUXHDFEMXBQK-CQSZACIVSA-N 1 0 386.518 -0.387 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000612445049 1072819554 /nfs/dbraw/zinc/81/95/54/1072819554.db2.gz UKRUJWGCGBPQNM-DOTOQJQBSA-N 1 0 380.489 -0.127 20 0 GBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000612445050 1072819692 /nfs/dbraw/zinc/81/96/92/1072819692.db2.gz UKRUJWGCGBPQNM-NVXWUHKLSA-N 1 0 380.489 -0.127 20 0 GBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000612445051 1072819120 /nfs/dbraw/zinc/81/91/20/1072819120.db2.gz UKRUJWGCGBPQNM-RDJZCZTQSA-N 1 0 380.489 -0.127 20 0 GBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000612445052 1072819413 /nfs/dbraw/zinc/81/94/13/1072819413.db2.gz UKRUJWGCGBPQNM-WBVHZDCISA-N 1 0 380.489 -0.127 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445668 1072819495 /nfs/dbraw/zinc/81/94/95/1072819495.db2.gz NUZNQFVNEZGTTN-AEFFLSMTSA-N 1 0 396.532 -0.339 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445669 1072819844 /nfs/dbraw/zinc/81/98/44/1072819844.db2.gz NUZNQFVNEZGTTN-FUHWJXTLSA-N 1 0 396.532 -0.339 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445670 1072819279 /nfs/dbraw/zinc/81/92/79/1072819279.db2.gz NUZNQFVNEZGTTN-SJLPKXTDSA-N 1 0 396.532 -0.339 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445671 1072819336 /nfs/dbraw/zinc/81/93/36/1072819336.db2.gz NUZNQFVNEZGTTN-WMZOPIPTSA-N 1 0 396.532 -0.339 20 0 GBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612446648 1072819448 /nfs/dbraw/zinc/81/94/48/1072819448.db2.gz WRIPSZNNANEEDQ-HNNXBMFYSA-N 1 0 393.532 -0.082 20 0 GBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612446649 1072819778 /nfs/dbraw/zinc/81/97/78/1072819778.db2.gz WRIPSZNNANEEDQ-OAHLLOKOSA-N 1 0 393.532 -0.082 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612448622 1072819726 /nfs/dbraw/zinc/81/97/26/1072819726.db2.gz XPQBNHDGJJDFLV-HNNXBMFYSA-N 1 0 389.504 -0.013 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612448623 1072819426 /nfs/dbraw/zinc/81/94/26/1072819426.db2.gz XPQBNHDGJJDFLV-OAHLLOKOSA-N 1 0 389.504 -0.013 20 0 GBADRO Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459705 1072820856 /nfs/dbraw/zinc/82/08/56/1072820856.db2.gz RFIHELLVHWDKTO-MWDXBVQZSA-N 1 0 375.473 -0.475 20 0 GBADRO Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459706 1072820603 /nfs/dbraw/zinc/82/06/03/1072820603.db2.gz RFIHELLVHWDKTO-NXOAAHMSSA-N 1 0 375.473 -0.475 20 0 GBADRO Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459707 1072820826 /nfs/dbraw/zinc/82/08/26/1072820826.db2.gz RFIHELLVHWDKTO-TWMKSMIVSA-N 1 0 375.473 -0.475 20 0 GBADRO Cn1cc(C[C@H]2CCC[C@H]2NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000612459708 1072820791 /nfs/dbraw/zinc/82/07/91/1072820791.db2.gz RFIHELLVHWDKTO-YYIAUSFCSA-N 1 0 375.473 -0.475 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@@H](C)O1 ZINC000612465383 1072820555 /nfs/dbraw/zinc/82/05/55/1072820555.db2.gz HSUUOIFVCBPDMH-GHMZBOCLSA-N 1 0 383.474 -0.526 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H](C)O1 ZINC000612465396 1072820284 /nfs/dbraw/zinc/82/02/84/1072820284.db2.gz HSUUOIFVCBPDMH-PHIMTYICSA-N 1 0 383.474 -0.526 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H](C)O1 ZINC000612465398 1072820179 /nfs/dbraw/zinc/82/01/79/1072820179.db2.gz HSUUOIFVCBPDMH-QWRGUYRKSA-N 1 0 383.474 -0.526 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000612469938 1072823414 /nfs/dbraw/zinc/82/34/14/1072823414.db2.gz IVTHLERBOALOEL-UHFFFAOYSA-N 1 0 384.506 -0.054 20 0 GBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)nc2)CC1 ZINC000612470851 1072823396 /nfs/dbraw/zinc/82/33/96/1072823396.db2.gz SJRWLTNJEFBGKX-JFIYKMOQSA-N 1 0 376.457 -0.037 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000612479689 1072824346 /nfs/dbraw/zinc/82/43/46/1072824346.db2.gz DXJRPPUCINVLDU-HNNXBMFYSA-N 1 0 377.493 -0.300 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000612479695 1072824018 /nfs/dbraw/zinc/82/40/18/1072824018.db2.gz DXJRPPUCINVLDU-OAHLLOKOSA-N 1 0 377.493 -0.300 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000612480095 1072824087 /nfs/dbraw/zinc/82/40/87/1072824087.db2.gz HDLJOFCPJTYBCO-HNNXBMFYSA-N 1 0 388.534 -0.283 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000612480096 1072824137 /nfs/dbraw/zinc/82/41/37/1072824137.db2.gz HDLJOFCPJTYBCO-OAHLLOKOSA-N 1 0 388.534 -0.283 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1=O ZINC000612482511 1072824616 /nfs/dbraw/zinc/82/46/16/1072824616.db2.gz OKKZAGNUJXJRGL-INIZCTEOSA-N 1 0 382.505 -0.070 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1=O ZINC000612482512 1072824380 /nfs/dbraw/zinc/82/43/80/1072824380.db2.gz OKKZAGNUJXJRGL-MRXNPFEDSA-N 1 0 382.505 -0.070 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612484884 1072825885 /nfs/dbraw/zinc/82/58/85/1072825885.db2.gz FAWHVPJSTJPQRY-INIZCTEOSA-N 1 0 381.521 -0.497 20 0 GBADRO CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612484895 1072825631 /nfs/dbraw/zinc/82/56/31/1072825631.db2.gz FAWHVPJSTJPQRY-MRXNPFEDSA-N 1 0 381.521 -0.497 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000612484998 1072824600 /nfs/dbraw/zinc/82/46/00/1072824600.db2.gz FGJJHKNCFIEFLW-KRWDZBQOSA-N 1 0 395.548 -0.155 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000612484999 1072824216 /nfs/dbraw/zinc/82/42/16/1072824216.db2.gz FGJJHKNCFIEFLW-QGZVFWFLSA-N 1 0 395.548 -0.155 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612485022 1072824424 /nfs/dbraw/zinc/82/44/24/1072824424.db2.gz FWQKDOHUNRPBLX-CABCVRRESA-N 1 0 388.534 -0.237 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612485023 1072824842 /nfs/dbraw/zinc/82/48/42/1072824842.db2.gz FWQKDOHUNRPBLX-GJZGRUSLSA-N 1 0 388.534 -0.237 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612485024 1072824445 /nfs/dbraw/zinc/82/44/45/1072824445.db2.gz FWQKDOHUNRPBLX-HUUCEWRRSA-N 1 0 388.534 -0.237 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612485025 1072824406 /nfs/dbraw/zinc/82/44/06/1072824406.db2.gz FWQKDOHUNRPBLX-LSDHHAIUSA-N 1 0 388.534 -0.237 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000612485290 1072824821 /nfs/dbraw/zinc/82/48/21/1072824821.db2.gz IBOUVTJMGADERK-HNNXBMFYSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000612485291 1072824195 /nfs/dbraw/zinc/82/41/95/1072824195.db2.gz IBOUVTJMGADERK-OAHLLOKOSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000612485610 1072825953 /nfs/dbraw/zinc/82/59/53/1072825953.db2.gz IYFXKZUBLKSHNF-HNNXBMFYSA-N 1 0 390.488 -0.168 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000612485611 1072825987 /nfs/dbraw/zinc/82/59/87/1072825987.db2.gz IYFXKZUBLKSHNF-OAHLLOKOSA-N 1 0 390.488 -0.168 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000612487224 1072825431 /nfs/dbraw/zinc/82/54/31/1072825431.db2.gz RCJQNMRIRWYKCT-INIZCTEOSA-N 1 0 393.532 -0.354 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000612487226 1072825283 /nfs/dbraw/zinc/82/52/83/1072825283.db2.gz RCJQNMRIRWYKCT-MRXNPFEDSA-N 1 0 393.532 -0.354 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612487533 1072825900 /nfs/dbraw/zinc/82/59/00/1072825900.db2.gz XYLZMAAZEXQARN-HUUCEWRRSA-N 1 0 388.534 -0.237 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000612487534 1072825547 /nfs/dbraw/zinc/82/55/47/1072825547.db2.gz XYLZMAAZEXQARN-LSDHHAIUSA-N 1 0 388.534 -0.237 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000612487689 1072825809 /nfs/dbraw/zinc/82/58/09/1072825809.db2.gz WXGWWXUPIMVKKF-DLBZAZTESA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000612487690 1072825192 /nfs/dbraw/zinc/82/51/92/1072825192.db2.gz WXGWWXUPIMVKKF-IAGOWNOFSA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000612487691 1072825356 /nfs/dbraw/zinc/82/53/56/1072825356.db2.gz WXGWWXUPIMVKKF-IRXDYDNUSA-N 1 0 384.521 -0.626 20 0 GBADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000612487692 1072825459 /nfs/dbraw/zinc/82/54/59/1072825459.db2.gz WXGWWXUPIMVKKF-SJORKVTESA-N 1 0 384.521 -0.626 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612487979 1072825579 /nfs/dbraw/zinc/82/55/79/1072825579.db2.gz ZCPTXWIBFTULSV-CABCVRRESA-N 1 0 388.534 -0.237 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612487981 1072825938 /nfs/dbraw/zinc/82/59/38/1072825938.db2.gz ZCPTXWIBFTULSV-GJZGRUSLSA-N 1 0 388.534 -0.237 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612487983 1072825925 /nfs/dbraw/zinc/82/59/25/1072825925.db2.gz ZCPTXWIBFTULSV-HUUCEWRRSA-N 1 0 388.534 -0.237 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612487985 1072825846 /nfs/dbraw/zinc/82/58/46/1072825846.db2.gz ZCPTXWIBFTULSV-LSDHHAIUSA-N 1 0 388.534 -0.237 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612488188 1072825751 /nfs/dbraw/zinc/82/57/51/1072825751.db2.gz YGHQFPGQHSYDFQ-KRWDZBQOSA-N 1 0 395.548 -0.108 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612488189 1072825399 /nfs/dbraw/zinc/82/53/99/1072825399.db2.gz YGHQFPGQHSYDFQ-QGZVFWFLSA-N 1 0 395.548 -0.108 20 0 GBADRO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000612521648 1072828609 /nfs/dbraw/zinc/82/86/09/1072828609.db2.gz BLKKPIRJQGGXGT-GFCCVEGCSA-N 1 0 384.458 -0.386 20 0 GBADRO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000612521649 1072828590 /nfs/dbraw/zinc/82/85/90/1072828590.db2.gz BLKKPIRJQGGXGT-LBPRGKRZSA-N 1 0 384.458 -0.386 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522117 1072828903 /nfs/dbraw/zinc/82/89/03/1072828903.db2.gz GZXAXGSPKQRFFR-HNNXBMFYSA-N 1 0 391.476 -0.666 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000612522118 1072828936 /nfs/dbraw/zinc/82/89/36/1072828936.db2.gz GZXAXGSPKQRFFR-OAHLLOKOSA-N 1 0 391.476 -0.666 20 0 GBADRO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000612522151 1072828844 /nfs/dbraw/zinc/82/88/44/1072828844.db2.gz HGPHPVRUNDKOCA-CYBMUJFWSA-N 1 0 395.485 -0.433 20 0 GBADRO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000612522152 1072828751 /nfs/dbraw/zinc/82/87/51/1072828751.db2.gz HGPHPVRUNDKOCA-ZDUSSCGKSA-N 1 0 395.485 -0.433 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522595 530362257 /nfs/dbraw/zinc/36/22/57/530362257.db2.gz KADWAMIFVHMGQN-LLVKDONJSA-N 1 0 386.499 -0.226 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000612522596 530362147 /nfs/dbraw/zinc/36/21/47/530362147.db2.gz KADWAMIFVHMGQN-NSHDSACASA-N 1 0 386.499 -0.226 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000612523668 1072829357 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NS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000612577957 1072840088 /nfs/dbraw/zinc/84/00/88/1072840088.db2.gz HUIQEIYGIXORKV-NUEKZKHPSA-N 1 0 388.534 -0.214 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612592328 1072842685 /nfs/dbraw/zinc/84/26/85/1072842685.db2.gz OGNAHIKZZBHLCG-KRWDZBQOSA-N 1 0 396.532 -0.075 20 0 GBADRO COCC(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612592329 1072843370 /nfs/dbraw/zinc/84/33/70/1072843370.db2.gz OGNAHIKZZBHLCG-QGZVFWFLSA-N 1 0 396.532 -0.075 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]2COC[C@H]2O1 ZINC000612593027 1072841468 /nfs/dbraw/zinc/84/14/68/1072841468.db2.gz WYCXBRLPQMUTEZ-ARFHVFGLSA-N 1 0 381.473 -0.239 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]2COC[C@H]2O1 ZINC000612593028 1072841923 /nfs/dbraw/zinc/84/19/23/1072841923.db2.gz WYCXBRLPQMUTEZ-BZUAXINKSA-N 1 0 381.473 -0.239 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612593203 1072841342 /nfs/dbraw/zinc/84/13/42/1072841342.db2.gz ZOLUHZVNKKEIGP-CVEARBPZSA-N 1 0 395.504 -0.430 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612593204 1072841853 /nfs/dbraw/zinc/84/18/53/1072841853.db2.gz ZOLUHZVNKKEIGP-HOTGVXAUSA-N 1 0 395.504 -0.430 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612593205 1072841940 /nfs/dbraw/zinc/84/19/40/1072841940.db2.gz ZOLUHZVNKKEIGP-HZPDHXFCSA-N 1 0 395.504 -0.430 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612593206 1072841456 /nfs/dbraw/zinc/84/14/56/1072841456.db2.gz ZOLUHZVNKKEIGP-JKSUJKDBSA-N 1 0 395.504 -0.430 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000612593982 1072841434 /nfs/dbraw/zinc/84/14/34/1072841434.db2.gz IHLLBEIFUUSPAB-INIZCTEOSA-N 1 0 396.488 -0.937 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000612593983 1072842226 /nfs/dbraw/zinc/84/22/26/1072842226.db2.gz IHLLBEIFUUSPAB-MRXNPFEDSA-N 1 0 396.488 -0.937 20 0 GBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000612594168 1072841320 /nfs/dbraw/zinc/84/13/20/1072841320.db2.gz KCKKTOAFHONZCC-INIZCTEOSA-N 1 0 395.504 -0.427 20 0 GBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000612594174 1072841842 /nfs/dbraw/zinc/84/18/42/1072841842.db2.gz KCKKTOAFHONZCC-MRXNPFEDSA-N 1 0 395.504 -0.427 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000612594217 1072841779 /nfs/dbraw/zinc/84/17/79/1072841779.db2.gz IHNIKAWAQIVNFD-DOMZBBRYSA-N 1 0 379.379 -0.118 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000612594218 1072841654 /nfs/dbraw/zinc/84/16/54/1072841654.db2.gz IHNIKAWAQIVNFD-IUODEOHRSA-N 1 0 379.379 -0.118 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000612594219 1072841911 /nfs/dbraw/zinc/84/19/11/1072841911.db2.gz IHNIKAWAQIVNFD-SWLSCSKDSA-N 1 0 379.379 -0.118 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000612594220 1072841488 /nfs/dbraw/zinc/84/14/88/1072841488.db2.gz IHNIKAWAQIVNFD-WFASDCNBSA-N 1 0 379.379 -0.118 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000612594297 1072841671 /nfs/dbraw/zinc/84/16/71/1072841671.db2.gz JJINKVVRSIMUNI-INIZCTEOSA-N 1 0 380.489 -0.317 20 0 GBADRO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000612594298 1072841368 /nfs/dbraw/zinc/84/13/68/1072841368.db2.gz JJINKVVRSIMUNI-MRXNPFEDSA-N 1 0 380.489 -0.317 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000612594321 1072842246 /nfs/dbraw/zinc/84/22/46/1072842246.db2.gz JUWGLHTUDARXNI-INIZCTEOSA-N 1 0 380.489 -0.173 20 0 GBADRO CCCN1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000612594322 1072841755 /nfs/dbraw/zinc/84/17/55/1072841755.db2.gz JUWGLHTUDARXNI-MRXNPFEDSA-N 1 0 380.489 -0.173 20 0 GBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594376 1072841878 /nfs/dbraw/zinc/84/18/78/1072841878.db2.gz LGFXTXDVNRNNNK-KRWDZBQOSA-N 1 0 396.532 -0.075 20 0 GBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594377 1072841587 /nfs/dbraw/zinc/84/15/87/1072841587.db2.gz LGFXTXDVNRNNNK-QGZVFWFLSA-N 1 0 396.532 -0.075 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594686 1072843128 /nfs/dbraw/zinc/84/31/28/1072843128.db2.gz PGGWBVLKTBOSKK-DOTOQJQBSA-N 1 0 396.532 -0.341 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594687 1072843390 /nfs/dbraw/zinc/84/33/90/1072843390.db2.gz PGGWBVLKTBOSKK-NVXWUHKLSA-N 1 0 396.532 -0.341 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594688 1072843579 /nfs/dbraw/zinc/84/35/79/1072843579.db2.gz PGGWBVLKTBOSKK-RDJZCZTQSA-N 1 0 396.532 -0.341 20 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O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000612594844 1072843419 /nfs/dbraw/zinc/84/34/19/1072843419.db2.gz BVMFXWYWVMYFBY-SJLPKXTDSA-N 1 0 394.516 -0.463 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000612594845 1072842941 /nfs/dbraw/zinc/84/29/41/1072842941.db2.gz BVMFXWYWVMYFBY-WMZOPIPTSA-N 1 0 394.516 -0.463 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594990 1072843352 /nfs/dbraw/zinc/84/33/52/1072843352.db2.gz RYYMOXZTUNIFIB-CVEARBPZSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594991 1072843521 /nfs/dbraw/zinc/84/35/21/1072843521.db2.gz RYYMOXZTUNIFIB-HOTGVXAUSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594992 1072843628 /nfs/dbraw/zinc/84/36/28/1072843628.db2.gz RYYMOXZTUNIFIB-HZPDHXFCSA-N 1 0 380.489 -0.175 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594993 1072843317 /nfs/dbraw/zinc/84/33/17/1072843317.db2.gz RYYMOXZTUNIFIB-JKSUJKDBSA-N 1 0 380.489 -0.175 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612595378 1072841530 /nfs/dbraw/zinc/84/15/30/1072841530.db2.gz GVJQQKOIRUHHHN-GOSISDBHSA-N 1 0 396.532 -0.075 20 0 GBADRO CC(C)OCCN1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612595380 1072841410 /nfs/dbraw/zinc/84/14/10/1072841410.db2.gz GVJQQKOIRUHHHN-SFHVURJKSA-N 1 0 396.532 -0.075 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000612595457 1072841395 /nfs/dbraw/zinc/84/13/95/1072841395.db2.gz XGSUNSGKWJIUCM-GFCCVEGCSA-N 1 0 392.378 -0.454 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000612595463 1072841824 /nfs/dbraw/zinc/84/18/24/1072841824.db2.gz XGSUNSGKWJIUCM-LBPRGKRZSA-N 1 0 392.378 -0.454 20 0 GBADRO 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1072850037 /nfs/dbraw/zinc/85/00/37/1072850037.db2.gz ILUFZBVRSQSMMN-UKNAQKAOSA-N 1 0 376.453 -0.602 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612631888 1072850092 /nfs/dbraw/zinc/85/00/92/1072850092.db2.gz ILUFZBVRSQSMMN-WSIUPNEHSA-N 1 0 376.453 -0.602 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000612633045 1072848364 /nfs/dbraw/zinc/84/83/64/1072848364.db2.gz VKKYDHVJSAUSCU-CVEARBPZSA-N 1 0 384.502 -0.618 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000612633046 1072848166 /nfs/dbraw/zinc/84/81/66/1072848166.db2.gz VKKYDHVJSAUSCU-HOTGVXAUSA-N 1 0 384.502 -0.618 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000612633047 1072848453 /nfs/dbraw/zinc/84/84/53/1072848453.db2.gz VKKYDHVJSAUSCU-HZPDHXFCSA-N 1 0 384.502 -0.618 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000612633048 1072848399 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/nfs/dbraw/zinc/67/81/74/1073678174.db2.gz GHOPAMUVIIXWKK-HUUCEWRRSA-N 1 0 394.497 -0.203 20 0 GBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000613992991 1073678462 /nfs/dbraw/zinc/67/84/62/1073678462.db2.gz GPJJLVILCJYPSP-HOTGVXAUSA-N 1 0 378.498 -0.329 20 0 GBADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000613992995 1073678516 /nfs/dbraw/zinc/67/85/16/1073678516.db2.gz GPJJLVILCJYPSP-HZPDHXFCSA-N 1 0 378.498 -0.329 20 0 GBADRO Cn1c(=O)c(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000613993816 1073678484 /nfs/dbraw/zinc/67/84/84/1073678484.db2.gz WULCEPJXXOMWIT-GJZGRUSLSA-N 1 0 383.452 -0.489 20 0 GBADRO Cn1c(=O)c(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000613993820 1073678500 /nfs/dbraw/zinc/67/85/00/1073678500.db2.gz WULCEPJXXOMWIT-HUUCEWRRSA-N 1 0 383.452 -0.489 20 0 GBADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000613993855 1073678198 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QTSLSQBBHJVUJX-HUUCEWRRSA-N 1 0 396.488 -0.190 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(=O)[nH]c1=O ZINC000613996851 1073692632 /nfs/dbraw/zinc/69/26/32/1073692632.db2.gz VDCDUIYYYOFWOY-CHWSQXEVSA-N 1 0 378.477 -0.165 20 0 GBADRO CCCCn1c(N)c(N(CC)C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(=O)[nH]c1=O ZINC000613996853 1073692567 /nfs/dbraw/zinc/69/25/67/1073692567.db2.gz VDCDUIYYYOFWOY-STQMWFEESA-N 1 0 378.477 -0.165 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613997247 1073694662 /nfs/dbraw/zinc/69/46/62/1073694662.db2.gz VKIMANZJPORXEE-GJZGRUSLSA-N 1 0 397.501 -0.724 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613997253 1073694471 /nfs/dbraw/zinc/69/44/71/1073694471.db2.gz VKIMANZJPORXEE-HUUCEWRRSA-N 1 0 397.501 -0.724 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCCO1 ZINC000614020718 1073701262 /nfs/dbraw/zinc/70/12/62/1073701262.db2.gz WIKTUIYFCVSBHI-GFCCVEGCSA-N 1 0 386.474 -0.528 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CCCO1 ZINC000614020719 1073701338 /nfs/dbraw/zinc/70/13/38/1073701338.db2.gz WIKTUIYFCVSBHI-LBPRGKRZSA-N 1 0 386.474 -0.528 20 0 GBADRO CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614030538 1073703303 /nfs/dbraw/zinc/70/33/03/1073703303.db2.gz RMJDTSGFTYBEHG-CABCVRRESA-N 1 0 395.460 -0.048 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614030541 1073703380 /nfs/dbraw/zinc/70/33/80/1073703380.db2.gz RMJDTSGFTYBEHG-GJZGRUSLSA-N 1 0 395.460 -0.048 20 0 GBADRO CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614030542 1073703428 /nfs/dbraw/zinc/70/34/28/1073703428.db2.gz RMJDTSGFTYBEHG-HUUCEWRRSA-N 1 0 395.460 -0.048 20 0 GBADRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000614030543 1073703149 /nfs/dbraw/zinc/70/31/49/1073703149.db2.gz RMJDTSGFTYBEHG-LSDHHAIUSA-N 1 0 395.460 -0.048 20 0 GBADRO Cn1ncc2c1ncn(CC(=O)Nc1ccc(N3CC[NH+](C)CC3)cn1)c2=O ZINC000614035796 1073705787 /nfs/dbraw/zinc/70/57/87/1073705787.db2.gz GSJUIJLXQBILTM-UHFFFAOYSA-N 1 0 382.428 -0.085 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cn1 ZINC000614037123 1073710370 /nfs/dbraw/zinc/71/03/70/1073710370.db2.gz IYHVADUWJLOGPV-UHFFFAOYSA-N 1 0 393.473 -0.516 20 0 GBADRO C[NH+]1CC2(C1)CCN(C(=O)Cn1c3ccc(S(N)(=O)=O)cc3oc1=O)C2 ZINC000614039690 1073711566 /nfs/dbraw/zinc/71/15/66/1073711566.db2.gz HDCDKAPIGIUXSK-UHFFFAOYSA-N 1 0 380.426 -0.594 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614040112 1073711285 /nfs/dbraw/zinc/71/12/85/1073711285.db2.gz MXROSXCZLIQUCF-UHFFFAOYSA-N 1 0 382.486 -0.176 20 0 GBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)CC2=O)cn1 ZINC000614064286 1073758955 /nfs/dbraw/zinc/75/89/55/1073758955.db2.gz NPYFLMZUELFNAM-BEFAXECRSA-N 1 0 393.488 -0.203 20 0 GBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)CC2=O)cn1 ZINC000614064287 1073758933 /nfs/dbraw/zinc/75/89/33/1073758933.db2.gz NPYFLMZUELFNAM-DNVCBOLYSA-N 1 0 393.488 -0.203 20 0 GBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)CC2=O)cn1 ZINC000614064288 1073759087 /nfs/dbraw/zinc/75/90/87/1073759087.db2.gz NPYFLMZUELFNAM-HNAYVOBHSA-N 1 0 393.488 -0.203 20 0 GBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)CC2=O)cn1 ZINC000614064289 1073758902 /nfs/dbraw/zinc/75/89/02/1073758902.db2.gz NPYFLMZUELFNAM-KXBFYZLASA-N 1 0 393.488 -0.203 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000614064353 1073759550 /nfs/dbraw/zinc/75/95/50/1073759550.db2.gz DKDIRQKIFPMVRG-GOSISDBHSA-N 1 0 399.513 -0.172 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000614064354 1073759418 /nfs/dbraw/zinc/75/94/18/1073759418.db2.gz DKDIRQKIFPMVRG-SFHVURJKSA-N 1 0 399.513 -0.172 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000614064497 1073758759 /nfs/dbraw/zinc/75/87/59/1073758759.db2.gz FUWDOWKHVNHYGY-KRWDZBQOSA-N 1 0 395.485 -0.244 20 0 GBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000614064498 1073758970 /nfs/dbraw/zinc/75/89/70/1073758970.db2.gz FUWDOWKHVNHYGY-QGZVFWFLSA-N 1 0 395.485 -0.244 20 0 GBADRO COc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)sc1S(N)(=O)=O ZINC000614066239 530468299 /nfs/dbraw/zinc/46/82/99/530468299.db2.gz BXBGSSAQBAFWFH-AWEZNQCLSA-N 1 0 377.488 -0.067 20 0 GBADRO COc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)sc1S(N)(=O)=O ZINC000614066240 530468303 /nfs/dbraw/zinc/46/83/03/530468303.db2.gz BXBGSSAQBAFWFH-CQSZACIVSA-N 1 0 377.488 -0.067 20 0 GBADRO Cc1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000614066940 1073760826 /nfs/dbraw/zinc/76/08/26/1073760826.db2.gz MJNJRSQVDLHMJZ-IBGZPJMESA-N 1 0 389.456 -0.531 20 0 GBADRO Cc1c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000614066941 1073760989 /nfs/dbraw/zinc/76/09/89/1073760989.db2.gz MJNJRSQVDLHMJZ-LJQANCHMSA-N 1 0 389.456 -0.531 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000614067026 1073760360 /nfs/dbraw/zinc/76/03/60/1073760360.db2.gz OIQDZZZCXJFVHI-INIZCTEOSA-N 1 0 384.458 -0.812 20 0 GBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000614067027 1073760338 /nfs/dbraw/zinc/76/03/38/1073760338.db2.gz OIQDZZZCXJFVHI-MRXNPFEDSA-N 1 0 384.458 -0.812 20 0 GBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000614067816 1073761293 /nfs/dbraw/zinc/76/12/93/1073761293.db2.gz JHOAEEQJEKZDOZ-GOSISDBHSA-N 1 0 397.497 -0.090 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000614067817 1073761388 /nfs/dbraw/zinc/76/13/88/1073761388.db2.gz JHOAEEQJEKZDOZ-SFHVURJKSA-N 1 0 397.497 -0.090 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cn1C ZINC000614067950 1073761422 /nfs/dbraw/zinc/76/14/22/1073761422.db2.gz KGNUKJIAFPRZSH-INIZCTEOSA-N 1 0 387.506 -0.688 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1C ZINC000614067952 1073760804 /nfs/dbraw/zinc/76/08/04/1073760804.db2.gz KGNUKJIAFPRZSH-MRXNPFEDSA-N 1 0 387.506 -0.688 20 0 GBADRO Cn1c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000614068357 1073762454 /nfs/dbraw/zinc/76/24/54/1073762454.db2.gz MPIPZEIXNYGQEE-GOSISDBHSA-N 1 0 377.445 -0.896 20 0 GBADRO Cn1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000614068367 1073762773 /nfs/dbraw/zinc/76/27/73/1073762773.db2.gz MPIPZEIXNYGQEE-SFHVURJKSA-N 1 0 377.445 -0.896 20 0 GBADRO CNC(=O)[C@@H](NC(=O)CSc1nnnn1CC[NH+](C)C)c1ccccc1 ZINC000614068521 1073762679 /nfs/dbraw/zinc/76/26/79/1073762679.db2.gz KYFHMVXWRSMPJI-AWEZNQCLSA-N 1 0 377.474 -0.070 20 0 GBADRO CNC(=O)[C@H](NC(=O)CSc1nnnn1CC[NH+](C)C)c1ccccc1 ZINC000614068527 1073762900 /nfs/dbraw/zinc/76/29/00/1073762900.db2.gz KYFHMVXWRSMPJI-CQSZACIVSA-N 1 0 377.474 -0.070 20 0 GBADRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)nc2c1c(=O)n(C)c(=O)n2C 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391.515 -0.650 20 0 GBADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000614853497 530473533 /nfs/dbraw/zinc/47/35/33/530473533.db2.gz XMWKRJORZZYSCI-LBPRGKRZSA-N 1 0 391.515 -0.650 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C)cc1OC ZINC000614858169 530474232 /nfs/dbraw/zinc/47/42/32/530474232.db2.gz FYENKWDLMWPHBQ-LLVKDONJSA-N 1 0 375.447 -0.979 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)C[NH+](C)C)cc1OC ZINC000614858170 530474076 /nfs/dbraw/zinc/47/40/76/530474076.db2.gz FYENKWDLMWPHBQ-NSHDSACASA-N 1 0 375.447 -0.979 20 0 GBADRO C[NH+](C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000614859605 530474215 /nfs/dbraw/zinc/47/42/15/530474215.db2.gz QWZOJCMDGPYGSG-LLVKDONJSA-N 1 0 394.291 -0.234 20 0 GBADRO C[NH+](C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000614859616 530473945 /nfs/dbraw/zinc/47/39/45/530473945.db2.gz QWZOJCMDGPYGSG-NSHDSACASA-N 1 0 394.291 -0.234 20 0 GBADRO C[NH+](C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000614861179 530474240 /nfs/dbraw/zinc/47/42/40/530474240.db2.gz XFPSQPDSYUWEND-LLVKDONJSA-N 1 0 394.291 -0.234 20 0 GBADRO C[NH+](C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000614861180 530473924 /nfs/dbraw/zinc/47/39/24/530473924.db2.gz XFPSQPDSYUWEND-NSHDSACASA-N 1 0 394.291 -0.234 20 0 GBADRO COCCCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000615046138 530482793 /nfs/dbraw/zinc/48/27/93/530482793.db2.gz JCDSCKGDTHEBHA-AWEZNQCLSA-N 1 0 376.523 -0.139 20 0 GBADRO COCCCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000615046149 530482680 /nfs/dbraw/zinc/48/26/80/530482680.db2.gz JCDSCKGDTHEBHA-CQSZACIVSA-N 1 0 376.523 -0.139 20 0 GBADRO CC(C)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000615230305 530489561 /nfs/dbraw/zinc/48/95/61/530489561.db2.gz HWOOHRGMDAQURU-KBPBESRZSA-N 1 0 376.523 -0.381 20 0 GBADRO CC(C)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615230306 530489829 /nfs/dbraw/zinc/48/98/29/530489829.db2.gz HWOOHRGMDAQURU-KGLIPLIRSA-N 1 0 376.523 -0.381 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[N@@H+]3CC[C@H]2C3)s1 ZINC000615565380 530106117 /nfs/dbraw/zinc/10/61/17/530106117.db2.gz SYCHUSKIVCSIAU-LBPRGKRZSA-N 1 0 386.499 -0.421 20 0 GBADRO CCN(CCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000615827127 530107527 /nfs/dbraw/zinc/10/75/27/530107527.db2.gz ADJQOEVSBIOPQH-UHFFFAOYSA-N 1 0 377.555 -0.017 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000616125943 530110939 /nfs/dbraw/zinc/11/09/39/530110939.db2.gz YZXHYCCSIFJLKO-AWEZNQCLSA-N 1 0 375.539 -0.566 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000616125957 530110678 /nfs/dbraw/zinc/11/06/78/530110678.db2.gz YZXHYCCSIFJLKO-CQSZACIVSA-N 1 0 375.539 -0.566 20 0 GBADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000616257206 530152366 /nfs/dbraw/zinc/15/23/66/530152366.db2.gz IXGFGZMRCMINNP-AWEZNQCLSA-N 1 0 376.523 -0.773 20 0 GBADRO CCS(=O)(=O)N[C@H](C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000616257207 530152446 /nfs/dbraw/zinc/15/24/46/530152446.db2.gz IXGFGZMRCMINNP-CQSZACIVSA-N 1 0 376.523 -0.773 20 0 GBADRO CCC[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000616257331 530152343 /nfs/dbraw/zinc/15/23/43/530152343.db2.gz LKNGGJUXLFNYGD-AWEZNQCLSA-N 1 0 376.523 -0.644 20 0 GBADRO CCC[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)S(N)(=O)=O ZINC000616257332 530152314 /nfs/dbraw/zinc/15/23/14/530152314.db2.gz LKNGGJUXLFNYGD-CQSZACIVSA-N 1 0 376.523 -0.644 20 0 GBADRO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2ccccc2O1 ZINC000616327629 1072131081 /nfs/dbraw/zinc/13/10/81/1072131081.db2.gz YVLWIHDWMPSWPY-CJNGLKHVSA-N 1 0 392.456 -0.655 20 0 GBADRO NC(=O)Cn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000616375629 1072139882 /nfs/dbraw/zinc/13/98/82/1072139882.db2.gz BVLSAVNNHPEHMN-UHFFFAOYSA-N 1 0 384.440 -0.129 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)CNS(=O)(=O)N(C)C)CC2)CC1 ZINC000616380957 530072898 /nfs/dbraw/zinc/07/28/98/530072898.db2.gz GAWLGDDTGYZQEA-UHFFFAOYSA-N 1 0 375.539 -0.599 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)CC1 ZINC000616381120 1072145765 /nfs/dbraw/zinc/14/57/65/1072145765.db2.gz JMFJFPBDXTVOOS-GOSISDBHSA-N 1 0 379.505 -0.132 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000616535423 1072410159 /nfs/dbraw/zinc/41/01/59/1072410159.db2.gz HLBPYVMRBPZTLZ-IAGOWNOFSA-N 1 0 396.513 -0.116 20 0 GBADRO CN(C)S(=O)(=O)NCC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000616535424 1072410568 /nfs/dbraw/zinc/41/05/68/1072410568.db2.gz HLBPYVMRBPZTLZ-IRXDYDNUSA-N 1 0 396.513 -0.116 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617110396 530172451 /nfs/dbraw/zinc/17/24/51/530172451.db2.gz OEXHMXPARADPAL-UHFFFAOYSA-N 1 0 376.523 -0.268 20 0 GBADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 ZINC000617414461 1073026037 /nfs/dbraw/zinc/02/60/37/1073026037.db2.gz JHXDDGASXWIIFF-CQSZACIVSA-N 1 0 380.470 -0.369 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000617507684 530283550 /nfs/dbraw/zinc/28/35/50/530283550.db2.gz FTWUBVULBRFDLS-AWEZNQCLSA-N 1 0 377.555 -0.449 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1=O ZINC000617881887 1073633665 /nfs/dbraw/zinc/63/36/65/1073633665.db2.gz DIPMBDABMXENAX-APIJFGDWSA-N 1 0 387.502 -0.753 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1=O ZINC000617881888 1073633201 /nfs/dbraw/zinc/63/32/01/1073633201.db2.gz DIPMBDABMXENAX-KBUPBQIOSA-N 1 0 387.502 -0.753 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1=O ZINC000617881889 1073633442 /nfs/dbraw/zinc/63/34/42/1073633442.db2.gz DIPMBDABMXENAX-KBXIAJHMSA-N 1 0 387.502 -0.753 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1=O ZINC000617881890 1073633259 /nfs/dbraw/zinc/63/32/59/1073633259.db2.gz DIPMBDABMXENAX-TUVASFSCSA-N 1 0 387.502 -0.753 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000617882271 1073634225 /nfs/dbraw/zinc/63/42/25/1073634225.db2.gz JDIHEJQQQVOMQX-DLBZAZTESA-N 1 0 381.498 -0.024 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000617882272 1073634593 /nfs/dbraw/zinc/63/45/93/1073634593.db2.gz JDIHEJQQQVOMQX-IAGOWNOFSA-N 1 0 381.498 -0.024 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000617882946 1073643194 /nfs/dbraw/zinc/64/31/94/1073643194.db2.gz QTMNQHXAJHCZGW-DLBZAZTESA-N 1 0 381.498 -0.024 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000617882948 1073643506 /nfs/dbraw/zinc/64/35/06/1073643506.db2.gz QTMNQHXAJHCZGW-IRXDYDNUSA-N 1 0 381.498 -0.024 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000617882949 1073642958 /nfs/dbraw/zinc/64/29/58/1073642958.db2.gz QTMNQHXAJHCZGW-SJORKVTESA-N 1 0 381.498 -0.024 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC2C[NH+](C)C2)s1 ZINC000618193001 530085482 /nfs/dbraw/zinc/08/54/82/530085482.db2.gz GFHAMSSOIBHJIA-UHFFFAOYSA-N 1 0 388.515 -0.318 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000618299810 530111168 /nfs/dbraw/zinc/11/11/68/530111168.db2.gz AWSPNYNQNNZGJX-UHFFFAOYSA-N 1 0 376.523 -0.474 20 0 GBADRO CCS(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000618302083 530114170 /nfs/dbraw/zinc/11/41/70/530114170.db2.gz DIEZVQSMXOKYDP-UHFFFAOYSA-N 1 0 376.523 -0.474 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000618302376 530111318 /nfs/dbraw/zinc/11/13/18/530111318.db2.gz NDPYLRPLELBFEP-UHFFFAOYSA-N 1 0 390.531 -0.105 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000618302406 1072589868 /nfs/dbraw/zinc/58/98/68/1072589868.db2.gz OTPSZMJUIXZZCM-UHFFFAOYSA-N 1 0 384.502 -0.255 20 0 GBADRO Cc1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000618302619 1072589911 /nfs/dbraw/zinc/58/99/11/1072589911.db2.gz ZKMVYUPTDPGXNX-UHFFFAOYSA-N 1 0 384.502 -0.248 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618303351 530111229 /nfs/dbraw/zinc/11/12/29/530111229.db2.gz DEXQMCBGAZWOKX-GFCCVEGCSA-N 1 0 390.531 -0.107 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618303352 530111271 /nfs/dbraw/zinc/11/12/71/530111271.db2.gz DEXQMCBGAZWOKX-LBPRGKRZSA-N 1 0 390.531 -0.107 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000618304348 530114027 /nfs/dbraw/zinc/11/40/27/530114027.db2.gz XFYGLZFBQIWRPT-UHFFFAOYSA-N 1 0 376.504 -0.584 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000618304396 530114449 /nfs/dbraw/zinc/11/44/49/530114449.db2.gz ZKKYNNZSYIVKEU-UHFFFAOYSA-N 1 0 376.504 -0.495 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000618304879 530111732 /nfs/dbraw/zinc/11/17/32/530111732.db2.gz BSPNBRKMRNWNKE-UHFFFAOYSA-N 1 0 376.523 -0.329 20 0 GBADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618304976 530111442 /nfs/dbraw/zinc/11/14/42/530111442.db2.gz FKVXCALKKLZFNE-AWEZNQCLSA-N 1 0 376.523 -0.474 20 0 GBADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000618304977 530111723 /nfs/dbraw/zinc/11/17/23/530111723.db2.gz FKVXCALKKLZFNE-CQSZACIVSA-N 1 0 376.523 -0.474 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc2ncc(Br)cn2n1 ZINC000618305303 530114381 /nfs/dbraw/zinc/11/43/81/530114381.db2.gz OFBHFSJNHVGQJK-UHFFFAOYSA-N 1 0 398.265 -0.021 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000618305439 1072592591 /nfs/dbraw/zinc/59/25/91/1072592591.db2.gz UXPDKCROAWZEPJ-OAHLLOKOSA-N 1 0 375.473 -0.092 20 0 GBADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305575 530114179 /nfs/dbraw/zinc/11/41/79/530114179.db2.gz ZRWCLPDJGGVXBO-UHFFFAOYSA-N 1 0 376.504 -0.204 20 0 GBADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000618305723 530114064 /nfs/dbraw/zinc/11/40/64/530114064.db2.gz FFTGGVAJFGWLQE-UHFFFAOYSA-N 1 0 376.504 -0.252 20 0 GBADRO COc1cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)sc1S(N)(=O)=O ZINC000618306892 530111414 /nfs/dbraw/zinc/11/14/14/530111414.db2.gz MYKMPBRTPPHNTH-UHFFFAOYSA-N 1 0 392.503 -0.504 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000618308206 1072597088 /nfs/dbraw/zinc/59/70/88/1072597088.db2.gz BCJRAPGWWTUBMO-UHFFFAOYSA-N 1 0 398.529 -0.042 20 0 GBADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618308512 530114983 /nfs/dbraw/zinc/11/49/83/530114983.db2.gz MZMSQWXTSWHYCR-OAHLLOKOSA-N 1 0 376.523 -0.429 20 0 GBADRO C[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCN1S(C)(=O)=O ZINC000618676194 1073372621 /nfs/dbraw/zinc/37/26/21/1073372621.db2.gz PTDCINHEHKKNNM-CQSZACIVSA-N 1 0 381.502 -0.061 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000619596494 530113395 /nfs/dbraw/zinc/11/33/95/530113395.db2.gz DAYKROKMNWQWHM-HNNXBMFYSA-N 1 0 377.507 -0.392 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC[C@H]1CCCO1 ZINC000619596496 530113556 /nfs/dbraw/zinc/11/35/56/530113556.db2.gz DAYKROKMNWQWHM-OAHLLOKOSA-N 1 0 377.507 -0.392 20 0 GBADRO CCN(CC1CC1)S(=O)(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000619596524 530113823 /nfs/dbraw/zinc/11/38/23/530113823.db2.gz QHXZLSUMCFVWBG-UHFFFAOYSA-N 1 0 376.523 -0.315 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000619942760 530114917 /nfs/dbraw/zinc/11/49/17/530114917.db2.gz HZILZWUFQXZLNO-AWEZNQCLSA-N 1 0 375.539 -0.264 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000619942769 530114722 /nfs/dbraw/zinc/11/47/22/530114722.db2.gz HZILZWUFQXZLNO-CQSZACIVSA-N 1 0 375.539 -0.264 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481689 530115723 /nfs/dbraw/zinc/11/57/23/530115723.db2.gz GVRLNMOFYBGNOR-HNNXBMFYSA-N 1 0 377.507 -0.612 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481690 530115567 /nfs/dbraw/zinc/11/55/67/530115567.db2.gz GVRLNMOFYBGNOR-OAHLLOKOSA-N 1 0 377.507 -0.612 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620913189 530116295 /nfs/dbraw/zinc/11/62/95/530116295.db2.gz XVDJMFMZGGTLLR-AWEZNQCLSA-N 1 0 376.523 -0.174 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620913190 530115993 /nfs/dbraw/zinc/11/59/93/530115993.db2.gz XVDJMFMZGGTLLR-CQSZACIVSA-N 1 0 376.523 -0.174 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970024 530116257 /nfs/dbraw/zinc/11/62/57/530116257.db2.gz KHGPLSSFUISFJY-HNNXBMFYSA-N 1 0 379.523 -0.100 20 0 GBADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970028 530116161 /nfs/dbraw/zinc/11/61/61/530116161.db2.gz KHGPLSSFUISFJY-OAHLLOKOSA-N 1 0 379.523 -0.100 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000620971564 530116200 /nfs/dbraw/zinc/11/62/00/530116200.db2.gz KWYRAAMNVIQKDJ-HNNXBMFYSA-N 1 0 376.523 -0.867 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000620971565 530116507 /nfs/dbraw/zinc/11/65/07/530116507.db2.gz KWYRAAMNVIQKDJ-OAHLLOKOSA-N 1 0 376.523 -0.867 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 ZINC000620995140 530116323 /nfs/dbraw/zinc/11/63/23/530116323.db2.gz JCPSYNAWGIEVMY-UHFFFAOYSA-N 1 0 376.523 -0.379 20 0 GBADRO CNS(=O)(=O)CCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCS(=O)(=O)NC ZINC000621274618 530117037 /nfs/dbraw/zinc/11/70/37/530117037.db2.gz SRJBSSFNYXTVSA-KBPBESRZSA-N 1 0 384.568 -0.740 20 0 GBADRO CNS(=O)(=O)CCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCS(=O)(=O)NC ZINC000621274619 530117127 /nfs/dbraw/zinc/11/71/27/530117127.db2.gz SRJBSSFNYXTVSA-OKILXGFUSA-N 1 0 384.568 -0.740 20 0 GBADRO CNS(=O)(=O)CCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCS(=O)(=O)NC ZINC000621274620 530117062 /nfs/dbraw/zinc/11/70/62/530117062.db2.gz SRJBSSFNYXTVSA-ZIAGYGMSSA-N 1 0 384.568 -0.740 20 0 GBADRO CNS(=O)(=O)CCN1CCCC2(CCC[N@H+](CCS(=O)(=O)NC)C2)C1 ZINC000621296310 530116920 /nfs/dbraw/zinc/11/69/20/530116920.db2.gz OKJSQMSDQMGMBD-UHFFFAOYSA-N 1 0 396.579 -0.737 20 0 GBADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000621517482 530120600 /nfs/dbraw/zinc/12/06/00/530120600.db2.gz XXFNMXBBZJHOMP-QLFBSQMISA-N 1 0 376.523 -0.142 20 0 GBADRO O=C(CNC(=O)c1ccc(Br)cc1-n1cnnn1)N1CC[NH2+]CC1 ZINC000621621288 530120609 /nfs/dbraw/zinc/12/06/09/530120609.db2.gz YALYHMKVDGPOCJ-UHFFFAOYSA-N 1 0 394.233 -0.414 20 0 GBADRO CC(=O)N1CC[C@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)C1 ZINC000621676799 1072518719 /nfs/dbraw/zinc/51/87/19/1072518719.db2.gz CIWVWUKLUXPSMO-GOSISDBHSA-N 1 0 377.420 -0.477 20 0 GBADRO CC(=O)N1CC[C@@]([NH3+])(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)C1 ZINC000621676800 1072518411 /nfs/dbraw/zinc/51/84/11/1072518411.db2.gz CIWVWUKLUXPSMO-SFHVURJKSA-N 1 0 377.420 -0.477 20 0 GBADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000621677111 1072518441 /nfs/dbraw/zinc/51/84/41/1072518441.db2.gz RXTDDGDWMWOBOC-HNNXBMFYSA-N 1 0 391.447 -0.087 20 0 GBADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC1 ZINC000621677112 1072518109 /nfs/dbraw/zinc/51/81/09/1072518109.db2.gz RXTDDGDWMWOBOC-OAHLLOKOSA-N 1 0 391.447 -0.087 20 0 GBADRO NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000622029239 1072596657 /nfs/dbraw/zinc/59/66/57/1072596657.db2.gz BWSHPFTXXNYMDY-CYBMUJFWSA-N 1 0 377.420 -0.477 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CNS(=O)(=O)CCCOC)CC1 ZINC000622132303 530129032 /nfs/dbraw/zinc/12/90/32/530129032.db2.gz ASHVAPABWQLQTQ-UHFFFAOYSA-N 1 0 378.539 -0.525 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000622132404 530129059 /nfs/dbraw/zinc/12/90/59/530129059.db2.gz IBSYOMFDPABNOB-UHFFFAOYSA-N 1 0 378.539 -0.525 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCN(C)CCC[NH+](C)C ZINC000622144683 530129019 /nfs/dbraw/zinc/12/90/19/530129019.db2.gz VALVFXYPTPVLKA-UHFFFAOYSA-N 1 0 375.495 -0.431 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000622934698 530103729 /nfs/dbraw/zinc/10/37/29/530103729.db2.gz KXWMQDMHPIVICB-HNNXBMFYSA-N 1 0 377.555 -0.113 20 0 GBADRO CCS(=O)(=O)NCCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000622934699 530104322 /nfs/dbraw/zinc/10/43/22/530104322.db2.gz KXWMQDMHPIVICB-OAHLLOKOSA-N 1 0 377.555 -0.113 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000623025051 530137306 /nfs/dbraw/zinc/13/73/06/530137306.db2.gz PIUYSVAEXFCJHL-UHFFFAOYSA-N 1 0 375.539 -0.311 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1nc2ccc(Br)cn2n1 ZINC000623055258 530187892 /nfs/dbraw/zinc/18/78/92/530187892.db2.gz MYRNNDURJXNNCY-UHFFFAOYSA-N 1 0 381.234 -0.004 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000623404224 530314972 /nfs/dbraw/zinc/31/49/72/530314972.db2.gz UXCRAMSKHHTCMP-BETUJISGSA-N 1 0 377.511 -0.725 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCO[C@@H](CC(N)=O)C3)ccn2)CC1 ZINC000623428221 1073930613 /nfs/dbraw/zinc/93/06/13/1073930613.db2.gz CFGMIDUFWZYONS-HNNXBMFYSA-N 1 0 376.461 -0.381 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCO[C@H](CC(N)=O)C3)ccn2)CC1 ZINC000623428222 1073930203 /nfs/dbraw/zinc/93/02/03/1073930203.db2.gz CFGMIDUFWZYONS-OAHLLOKOSA-N 1 0 376.461 -0.381 20 0 GBADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623557095 530450699 /nfs/dbraw/zinc/45/06/99/530450699.db2.gz KFVVXSCHPJEPQU-HNNXBMFYSA-N 1 0 375.539 -0.405 20 0 GBADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000623557096 530450890 /nfs/dbraw/zinc/45/08/90/530450890.db2.gz KFVVXSCHPJEPQU-OAHLLOKOSA-N 1 0 375.539 -0.405 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000623632263 530490538 /nfs/dbraw/zinc/49/05/38/530490538.db2.gz RWMGDIKKBUYDPD-UHFFFAOYSA-N 1 0 377.511 -0.723 20 0 GBADRO CC(C)[NH+](CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000623768691 530121721 /nfs/dbraw/zinc/12/17/21/530121721.db2.gz ORZSZUMIBZLOKO-UHFFFAOYSA-N 1 0 377.555 -0.018 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623768778 530125130 /nfs/dbraw/zinc/12/51/30/530125130.db2.gz XEPGJTCPCTWHRH-UHFFFAOYSA-N 1 0 375.539 -0.264 20 0 GBADRO C[NH+](C)CC1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000623769638 530130882 /nfs/dbraw/zinc/13/08/82/530130882.db2.gz GKXFZYRCXQBRNE-UHFFFAOYSA-N 1 0 375.539 -0.453 20 0 GBADRO CC(C)CN(CC[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623769742 530130975 /nfs/dbraw/zinc/13/09/75/530130975.db2.gz KGPXYCQKBINFHR-UHFFFAOYSA-N 1 0 377.555 -0.207 20 0 GBADRO C[C@@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000623771439 530451646 /nfs/dbraw/zinc/45/16/46/530451646.db2.gz UNMREVSVJFYYEG-HNNXBMFYSA-N 1 0 375.539 -0.405 20 0 GBADRO C[C@H](CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000623771440 530451471 /nfs/dbraw/zinc/45/14/71/530451471.db2.gz UNMREVSVJFYYEG-OAHLLOKOSA-N 1 0 375.539 -0.405 20 0 GBADRO Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(N)[nH+]1 ZINC000623798785 530466021 /nfs/dbraw/zinc/46/60/21/530466021.db2.gz DSQRYZPLHIUUSX-UHFFFAOYSA-N 1 0 375.867 -0.077 20 0 GBADRO COc1nc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)ncc1Br ZINC000624025279 530133151 /nfs/dbraw/zinc/13/31/51/530133151.db2.gz UXPCSDOEZIWBTD-UHFFFAOYSA-N 1 0 382.226 -0.416 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccnc1OCC(F)F ZINC000624353134 530087583 /nfs/dbraw/zinc/08/75/83/530087583.db2.gz GWVYMWQZXIAIBO-UHFFFAOYSA-N 1 0 378.401 -0.222 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CCOC1 ZINC000624377173 1072523577 /nfs/dbraw/zinc/52/35/77/1072523577.db2.gz PBJLOHQANUECRP-LSDHHAIUSA-N 1 0 390.506 -0.990 20 0 GBADRO Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000624377299 1072523376 /nfs/dbraw/zinc/52/33/76/1072523376.db2.gz XFMBCXWOBSSVEO-UHFFFAOYSA-N 1 0 395.485 -0.575 20 0 GBADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000624381353 530088353 /nfs/dbraw/zinc/08/83/53/530088353.db2.gz LNGLGSFLQUOAGH-UHFFFAOYSA-N 1 0 377.488 -0.323 20 0 GBADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000624382096 530088138 /nfs/dbraw/zinc/08/81/38/530088138.db2.gz MZYRHTMRNSTUNR-UHFFFAOYSA-N 1 0 391.515 -0.015 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000624382459 530088409 /nfs/dbraw/zinc/08/84/09/530088409.db2.gz CKTRNTVYHWXOQW-AWEZNQCLSA-N 1 0 375.495 -0.971 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000624382460 530088231 /nfs/dbraw/zinc/08/82/31/530088231.db2.gz CKTRNTVYHWXOQW-CQSZACIVSA-N 1 0 375.495 -0.971 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000624386166 530134279 /nfs/dbraw/zinc/13/42/79/530134279.db2.gz AUEGHABAUQVXIQ-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000624386281 530134352 /nfs/dbraw/zinc/13/43/52/530134352.db2.gz FDZSASGUHGRPSK-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO [NH3+]C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCOCC1 ZINC000624386384 530088218 /nfs/dbraw/zinc/08/82/18/530088218.db2.gz IGAQRUODGNSIFP-UHFFFAOYSA-N 1 0 389.499 -0.087 20 0 GBADRO [NH3+]C1(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CCOCC1 ZINC000624386479 1072524073 /nfs/dbraw/zinc/52/40/73/1072524073.db2.gz LLKIHAUKQSXAMK-UHFFFAOYSA-N 1 0 383.470 -0.055 20 0 GBADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(F)c1 ZINC000624386518 530088382 /nfs/dbraw/zinc/08/83/82/530088382.db2.gz MRBARJZONRAIHY-UHFFFAOYSA-N 1 0 381.451 -0.017 20 0 GBADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1F ZINC000624387026 530088261 /nfs/dbraw/zinc/08/82/61/530088261.db2.gz CHAZHRYXURENRG-UHFFFAOYSA-N 1 0 381.451 -0.017 20 0 GBADRO [NH3+]C1(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCOCC1 ZINC000624387094 530088291 /nfs/dbraw/zinc/08/82/91/530088291.db2.gz FPWMJEQOSKNNPK-UHFFFAOYSA-N 1 0 389.499 -0.087 20 0 GBADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387194 530088365 /nfs/dbraw/zinc/08/83/65/530088365.db2.gz IOEOBKXSQNMKNH-UHFFFAOYSA-N 1 0 377.850 -0.010 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387267 530088271 /nfs/dbraw/zinc/08/82/71/530088271.db2.gz KQZRPYOARBKAAP-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO [NH3+]C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCOCC1 ZINC000624387530 530088172 /nfs/dbraw/zinc/08/81/72/530088172.db2.gz SWUSPIMPSLIQOK-UHFFFAOYSA-N 1 0 377.488 -0.608 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1C ZINC000624387535 530088377 /nfs/dbraw/zinc/08/83/77/530088377.db2.gz UAEDKUZXVZADFK-UHFFFAOYSA-N 1 0 377.488 -0.311 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000624390176 530134370 /nfs/dbraw/zinc/13/43/70/530134370.db2.gz XFNGRUJCWARNJM-BDAKNGLRSA-N 1 0 384.380 -0.768 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000624390177 530134190 /nfs/dbraw/zinc/13/41/90/530134190.db2.gz XFNGRUJCWARNJM-DTWKUNHWSA-N 1 0 384.380 -0.768 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000624390178 530134598 /nfs/dbraw/zinc/13/45/98/530134598.db2.gz XFNGRUJCWARNJM-IUCAKERBSA-N 1 0 384.380 -0.768 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC000624390179 530134216 /nfs/dbraw/zinc/13/42/16/530134216.db2.gz XFNGRUJCWARNJM-RKDXNWHRSA-N 1 0 384.380 -0.768 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391261 530134148 /nfs/dbraw/zinc/13/41/48/530134148.db2.gz UBJRARZLIBMPNP-NXEZZACHSA-N 1 0 381.442 -0.285 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391262 530134196 /nfs/dbraw/zinc/13/41/96/530134196.db2.gz UBJRARZLIBMPNP-UWVGGRQHSA-N 1 0 381.442 -0.285 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391263 530134313 /nfs/dbraw/zinc/13/43/13/530134313.db2.gz UBJRARZLIBMPNP-VHSXEESVSA-N 1 0 381.442 -0.285 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391264 530134561 /nfs/dbraw/zinc/13/45/61/530134561.db2.gz UBJRARZLIBMPNP-ZJUUUORDSA-N 1 0 381.442 -0.285 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000624394731 530088715 /nfs/dbraw/zinc/08/87/15/530088715.db2.gz PHINPYKOFDZGOS-UHFFFAOYSA-N 1 0 391.515 -0.015 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000624394927 530134218 /nfs/dbraw/zinc/13/42/18/530134218.db2.gz XKDQQZMBOFXHIS-UHFFFAOYSA-N 1 0 377.488 -0.358 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000624395016 530134373 /nfs/dbraw/zinc/13/43/73/530134373.db2.gz AHZCUJBGPQASAW-UHFFFAOYSA-N 1 0 377.488 -0.358 20 0 GBADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOCC[NH2+]C)c(OC)c1 ZINC000624395056 530088757 /nfs/dbraw/zinc/08/87/57/530088757.db2.gz BWVABNWYLUWAKD-UHFFFAOYSA-N 1 0 395.503 -0.029 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000624395239 530088686 /nfs/dbraw/zinc/08/86/86/530088686.db2.gz NRWSMAADNNJPEU-UHFFFAOYSA-N 1 0 391.515 -0.015 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000624395526 530088668 /nfs/dbraw/zinc/08/86/68/530088668.db2.gz BJISRFHYIZQUCW-UHFFFAOYSA-N 1 0 391.515 -0.015 20 0 GBADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624395785 530088763 /nfs/dbraw/zinc/08/87/63/530088763.db2.gz PISJAVZXYSICAC-UHFFFAOYSA-N 1 0 379.504 -0.207 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000624395978 530088786 /nfs/dbraw/zinc/08/87/86/530088786.db2.gz XFKIMWKSVQKMON-UHFFFAOYSA-N 1 0 386.396 -0.169 20 0 GBADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000624396375 530134224 /nfs/dbraw/zinc/13/42/24/530134224.db2.gz NUMGUCDRWPSLBG-UHFFFAOYSA-N 1 0 379.504 -0.207 20 0 GBADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000624396584 530088806 /nfs/dbraw/zinc/08/88/06/530088806.db2.gz YQPQRNVCGNUOGA-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000624396932 530088813 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[NH3+]CCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000624407446 530134587 /nfs/dbraw/zinc/13/45/87/530134587.db2.gz DAHSSYILRFKEQA-UHFFFAOYSA-N 1 0 377.488 -0.229 20 0 GBADRO Cn1cc(S(=O)(=O)NCCOCCC[NH3+])cc1C(=O)NCC(F)(F)F ZINC000624408403 530134209 /nfs/dbraw/zinc/13/42/09/530134209.db2.gz RKLVNSKSSGJGPY-UHFFFAOYSA-N 1 0 386.396 -0.039 20 0 GBADRO [NH3+]CCCOCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000624408532 530088818 /nfs/dbraw/zinc/08/88/18/530088818.db2.gz XECVDTVBCHVHTN-UHFFFAOYSA-N 1 0 377.488 -0.229 20 0 GBADRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000624409453 530089362 /nfs/dbraw/zinc/08/93/62/530089362.db2.gz BSZSKUBSMGATHH-UHFFFAOYSA-N 1 0 386.396 -0.087 20 0 GBADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000624409656 530088724 /nfs/dbraw/zinc/08/87/24/530088724.db2.gz KEUQZTOPGKAUHF-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])s1 ZINC000624409829 530134487 /nfs/dbraw/zinc/13/44/87/530134487.db2.gz SYANDBBBIPGYHP-UHFFFAOYSA-N 1 0 399.560 -0.174 20 0 GBADRO CN(CCOCC[NH3+])S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000624409911 530089130 /nfs/dbraw/zinc/08/91/30/530089130.db2.gz YKCGSYDSDLSKCS-UHFFFAOYSA-N 1 0 377.488 -0.277 20 0 GBADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000624415518 530089694 /nfs/dbraw/zinc/08/96/94/530089694.db2.gz OGCYCTSHZZZUAO-SWLSCSKDSA-N 1 0 389.499 -0.264 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000624416022 530134484 /nfs/dbraw/zinc/13/44/84/530134484.db2.gz UVXARRUFYVKGHG-AWEZNQCLSA-N 1 0 383.536 -0.654 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000624416023 530089515 /nfs/dbraw/zinc/08/95/15/530089515.db2.gz UVXARRUFYVKGHG-CQSZACIVSA-N 1 0 383.536 -0.654 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000624416058 530134596 /nfs/dbraw/zinc/13/45/96/530134596.db2.gz ZGECAFFRVVMVCF-HNNXBMFYSA-N 1 0 397.563 -0.312 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000624416059 530134468 /nfs/dbraw/zinc/13/44/68/530134468.db2.gz ZGECAFFRVVMVCF-OAHLLOKOSA-N 1 0 397.563 -0.312 20 0 GBADRO COCCN(CCOC)S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000624416158 530134491 /nfs/dbraw/zinc/13/44/91/530134491.db2.gz GGADEHJXJUZVFT-INIZCTEOSA-N 1 0 379.523 -0.084 20 0 GBADRO COCCN(CCOC)S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000624416159 530134589 /nfs/dbraw/zinc/13/45/89/530134589.db2.gz GGADEHJXJUZVFT-MRXNPFEDSA-N 1 0 379.523 -0.084 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C2 ZINC000624611974 1072160244 /nfs/dbraw/zinc/16/02/44/1072160244.db2.gz HOSVODYXVNGRIQ-AWEZNQCLSA-N 1 0 393.492 -0.610 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)C2 ZINC000624611975 1072160171 /nfs/dbraw/zinc/16/01/71/1072160171.db2.gz HOSVODYXVNGRIQ-CQSZACIVSA-N 1 0 393.492 -0.610 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(S(N)(=O)=O)c1 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DHJRNEKGEDMTJT-CZUORRHYSA-N 1 0 388.472 -0.286 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H](c2ccccc2)C1 ZINC000625146804 1072236602 /nfs/dbraw/zinc/23/66/02/1072236602.db2.gz MDHLQXYNCGUCIO-SJORKVTESA-N 1 0 383.456 -0.311 20 0 GBADRO CCOC1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CCOCC1 ZINC000625260680 530078350 /nfs/dbraw/zinc/07/83/50/530078350.db2.gz ANFMGYZGVGKAAA-AWEZNQCLSA-N 1 0 377.507 -0.046 20 0 GBADRO CCOC1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CCOCC1 ZINC000625260682 530078549 /nfs/dbraw/zinc/07/85/49/530078549.db2.gz ANFMGYZGVGKAAA-CQSZACIVSA-N 1 0 377.507 -0.046 20 0 GBADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000625269026 530078529 /nfs/dbraw/zinc/07/85/29/530078529.db2.gz NELMFXROHGBIOB-UHFFFAOYSA-N 1 0 383.396 -0.167 20 0 GBADRO CCOC1(CS(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCOCC1 ZINC000625272102 530078453 /nfs/dbraw/zinc/07/84/53/530078453.db2.gz YDCPSANBZVCHNQ-UHFFFAOYSA-N 1 0 377.507 -0.392 20 0 GBADRO CCN1C(=O)CO[C@H](C(=O)N(CCOC)CC[NH+](C)C)[C@H]1c1nccn1C ZINC000625280301 1072306050 /nfs/dbraw/zinc/30/60/50/1072306050.db2.gz DRYOPVGKGMBZGP-HOTGVXAUSA-N 1 0 381.477 -0.255 20 0 GBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCC[N@H+](CCOC)C2)[C@H]1c1nccn1C ZINC000625325699 1072316373 /nfs/dbraw/zinc/31/63/73/1072316373.db2.gz MRSMNRSVLLTQNH-XIRDDKMYSA-N 1 0 393.488 -0.065 20 0 GBADRO CN1C(=O)CN(CC(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1=O ZINC000625327630 1072316767 /nfs/dbraw/zinc/31/67/67/1072316767.db2.gz IICWEVXVAOUCKB-UHFFFAOYSA-N 1 0 375.429 -0.512 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(c2nccnn2)CC1 ZINC000625336081 1072318474 /nfs/dbraw/zinc/31/84/74/1072318474.db2.gz PEKFMIYXULZABB-UHFFFAOYSA-N 1 0 394.505 -0.243 20 0 GBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](CCOC)C2)[C@H]1c1nccn1C ZINC000625363238 1072325732 /nfs/dbraw/zinc/32/57/32/1072325732.db2.gz RKEJBOKWGQCWNN-BPUTZDHNSA-N 1 0 379.461 -0.455 20 0 GBADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000625383169 1072346214 /nfs/dbraw/zinc/34/62/14/1072346214.db2.gz KVRZWYAQYWQWKI-MRXNPFEDSA-N 1 0 395.504 -0.380 20 0 GBADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC000625395573 1072353932 /nfs/dbraw/zinc/35/39/32/1072353932.db2.gz ITEFMGWBTAXCDL-MRXNPFEDSA-N 1 0 397.520 -0.277 20 0 GBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC000625425699 1072514717 /nfs/dbraw/zinc/51/47/17/1072514717.db2.gz JRFHUJLBVTZBDU-OAHLLOKOSA-N 1 0 383.493 -0.524 20 0 GBADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000625426738 1072515360 /nfs/dbraw/zinc/51/53/60/1072515360.db2.gz XDYZVFQKEMGEHK-UHFFFAOYSA-N 1 0 375.477 -0.147 20 0 GBADRO O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000625427515 1072515664 /nfs/dbraw/zinc/51/56/64/1072515664.db2.gz DPYWJKGZDPCCTM-INIZCTEOSA-N 1 0 387.488 -0.003 20 0 GBADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000625446236 1072538202 /nfs/dbraw/zinc/53/82/02/1072538202.db2.gz ITDOHBSEFLPYNC-AWEZNQCLSA-N 1 0 383.493 -0.524 20 0 GBADRO CCn1nncc1CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000625447725 1072539836 /nfs/dbraw/zinc/53/98/36/1072539836.db2.gz DUDUTWBZGCIQLR-HOTGVXAUSA-N 1 0 391.520 -0.069 20 0 GBADRO CCn1nncc1CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000625447726 1072539390 /nfs/dbraw/zinc/53/93/90/1072539390.db2.gz DUDUTWBZGCIQLR-HZPDHXFCSA-N 1 0 391.520 -0.069 20 0 GBADRO CCn1nncc1CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000625447727 1072539740 /nfs/dbraw/zinc/53/97/40/1072539740.db2.gz DUDUTWBZGCIQLR-IYBDPMFKSA-N 1 0 391.520 -0.069 20 0 GBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000625448826 1072539254 /nfs/dbraw/zinc/53/92/54/1072539254.db2.gz TUNJVBYLCREGOJ-GOSISDBHSA-N 1 0 389.500 -0.047 20 0 GBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000625448827 1072539348 /nfs/dbraw/zinc/53/93/48/1072539348.db2.gz TUNJVBYLCREGOJ-SFHVURJKSA-N 1 0 389.500 -0.047 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625449082 1072539401 /nfs/dbraw/zinc/53/94/01/1072539401.db2.gz RDWPKMNOPWZLGB-HNNXBMFYSA-N 1 0 391.476 -0.911 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000625449083 1072539899 /nfs/dbraw/zinc/53/98/99/1072539899.db2.gz RDWPKMNOPWZLGB-OAHLLOKOSA-N 1 0 391.476 -0.911 20 0 GBADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC000625461485 1072550220 /nfs/dbraw/zinc/55/02/20/1072550220.db2.gz FPNYPTCPJYOZRK-UHFFFAOYSA-N 1 0 396.532 -0.120 20 0 GBADRO COC[C@@]1(C)CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000625464401 1072552409 /nfs/dbraw/zinc/55/24/09/1072552409.db2.gz FCHPGSDGWMSFAX-LJQANCHMSA-N 1 0 396.488 -0.983 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)CC1 ZINC000625464406 1072552519 /nfs/dbraw/zinc/55/25/19/1072552519.db2.gz FDRWWLAWHUOBRD-HNNXBMFYSA-N 1 0 386.468 -0.414 20 0 GBADRO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000625469569 1072552076 /nfs/dbraw/zinc/55/20/76/1072552076.db2.gz VEMLNWKXVYGDOE-GJZGRUSLSA-N 1 0 381.477 -0.770 20 0 GBADRO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000625469571 1072552195 /nfs/dbraw/zinc/55/21/95/1072552195.db2.gz VEMLNWKXVYGDOE-LSDHHAIUSA-N 1 0 381.477 -0.770 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000625484198 1072553173 /nfs/dbraw/zinc/55/31/73/1072553173.db2.gz ZSGINFZZHQUNQT-UHFFFAOYSA-N 1 0 391.476 -0.911 20 0 GBADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCO[C@H](COC)C2)CC1 ZINC000625511265 1072567511 /nfs/dbraw/zinc/56/75/11/1072567511.db2.gz AHTKBOLPXDYESG-INIZCTEOSA-N 1 0 383.489 -0.036 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000625522757 530091278 /nfs/dbraw/zinc/09/12/78/530091278.db2.gz YOIJXGIBNBBHDP-CHWSQXEVSA-N 1 0 378.520 -0.085 20 0 GBADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)[C@H](C)C1 ZINC000625525604 1072568334 /nfs/dbraw/zinc/56/83/34/1072568334.db2.gz YVJSCUYOWGOZED-KFWWJZLASA-N 1 0 383.493 -0.669 20 0 GBADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000625532403 1072569466 /nfs/dbraw/zinc/56/94/66/1072569466.db2.gz CYBYGBIATMMEDM-OAHLLOKOSA-N 1 0 385.509 -0.277 20 0 GBADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000625539576 1072571310 /nfs/dbraw/zinc/57/13/10/1072571310.db2.gz AYSRXHSXUYUBOU-HNNXBMFYSA-N 1 0 383.493 -0.523 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000625541394 1072572649 /nfs/dbraw/zinc/57/26/49/1072572649.db2.gz WBQRLEBLFIUJRW-KRWDZBQOSA-N 1 0 393.532 -0.258 20 0 GBADRO CN(CCCNC(=O)CN1CCC([NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000625553298 530092363 /nfs/dbraw/zinc/09/23/63/530092363.db2.gz QCMAGXXAFADVGZ-UHFFFAOYSA-N 1 0 376.523 -0.819 20 0 GBADRO CCC(O)(CC)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000625570090 1072614626 /nfs/dbraw/zinc/61/46/26/1072614626.db2.gz IHIRYPLWWYFEEH-HNNXBMFYSA-N 1 0 382.505 -0.239 20 0 GBADRO CCC(O)(CC)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000625570093 1072613994 /nfs/dbraw/zinc/61/39/94/1072613994.db2.gz IHIRYPLWWYFEEH-OAHLLOKOSA-N 1 0 382.505 -0.239 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](CCF)C2)CC1 ZINC000625570520 1072614312 /nfs/dbraw/zinc/61/43/12/1072614312.db2.gz KKIDYFPEHDJGBY-GJZGRUSLSA-N 1 0 384.452 -0.662 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000625570583 1072614122 /nfs/dbraw/zinc/61/41/22/1072614122.db2.gz LHVPHQBBTPHMTI-TWOQFEAHSA-N 1 0 392.500 -0.628 20 0 GBADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000625590791 1072615429 /nfs/dbraw/zinc/61/54/29/1072615429.db2.gz RIDFRUMBAKENSK-QLFBSQMISA-N 1 0 381.477 -0.772 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)c1 ZINC000625607886 530092625 /nfs/dbraw/zinc/09/26/25/530092625.db2.gz XXWYUGPSHJGSJD-UHFFFAOYSA-N 1 0 389.499 -0.181 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cn1 ZINC000625608431 530092670 /nfs/dbraw/zinc/09/26/70/530092670.db2.gz ZZLWMQMXVDILDU-UHFFFAOYSA-N 1 0 389.499 -0.030 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000625624076 530093481 /nfs/dbraw/zinc/09/34/81/530093481.db2.gz FMRRRBDWYLAELN-UHFFFAOYSA-N 1 0 376.504 -0.483 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000625628651 530093850 /nfs/dbraw/zinc/09/38/50/530093850.db2.gz CTQBBFFIBSFWQY-AWEZNQCLSA-N 1 0 391.515 -0.313 20 0 GBADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 ZINC000625628654 530093805 /nfs/dbraw/zinc/09/38/05/530093805.db2.gz CTQBBFFIBSFWQY-CQSZACIVSA-N 1 0 391.515 -0.313 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3nccnn3)CC2)C1 ZINC000625636400 1072617829 /nfs/dbraw/zinc/61/78/29/1072617829.db2.gz TYDMGBWRRFHRAK-INIZCTEOSA-N 1 0 377.493 -0.533 20 0 GBADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CNC(=O)NC)C2)CC1 ZINC000625673380 1072620196 /nfs/dbraw/zinc/62/01/96/1072620196.db2.gz POPOTNRFJVHDMB-CQSZACIVSA-N 1 0 383.493 -0.524 20 0 GBADRO CCN(C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000625679646 1072619712 /nfs/dbraw/zinc/61/97/12/1072619712.db2.gz TWDLQRDKVISMBK-MSOLQXFVSA-N 1 0 389.500 -0.049 20 0 GBADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 ZINC000625747842 1072624574 /nfs/dbraw/zinc/62/45/74/1072624574.db2.gz SIIUMAWEDIFOLE-UHFFFAOYSA-N 1 0 395.485 -0.429 20 0 GBADRO NC(=O)c1cn(C2CC[NH+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)nn1 ZINC000625804651 1072250989 /nfs/dbraw/zinc/25/09/89/1072250989.db2.gz VSYVFIBLZSCUPT-CYBMUJFWSA-N 1 0 398.423 -0.329 20 0 GBADRO CNS(=O)(=O)c1ccc(NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)nc1 ZINC000625880298 1072263030 /nfs/dbraw/zinc/26/30/30/1072263030.db2.gz SXNMTAQOXGIDGB-LLVKDONJSA-N 1 0 380.434 -0.563 20 0 GBADRO CNS(=O)(=O)c1ccc(NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)nc1 ZINC000625880299 1072262967 /nfs/dbraw/zinc/26/29/67/1072262967.db2.gz SXNMTAQOXGIDGB-NSHDSACASA-N 1 0 380.434 -0.563 20 0 GBADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000625887435 530104112 /nfs/dbraw/zinc/10/41/12/530104112.db2.gz JJZCNBWSSOGJRL-JTQLQIEISA-N 1 0 378.417 -0.314 20 0 GBADRO C[NH2+]CCOCCN(C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000625887436 530104293 /nfs/dbraw/zinc/10/42/93/530104293.db2.gz JJZCNBWSSOGJRL-SNVBAGLBSA-N 1 0 378.417 -0.314 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)C(F)(F)F ZINC000625887521 530104274 /nfs/dbraw/zinc/10/42/74/530104274.db2.gz NCPHJOBXPZZZIY-SECBINFHSA-N 1 0 376.401 -0.384 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC1([NH3+])CCOCC1)C(F)(F)F ZINC000625887522 530104445 /nfs/dbraw/zinc/10/44/45/530104445.db2.gz NCPHJOBXPZZZIY-VIFPVBQESA-N 1 0 376.401 -0.384 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)C(F)(F)F ZINC000625887554 530104482 /nfs/dbraw/zinc/10/44/82/530104482.db2.gz OUPJJKGIWVQJRP-SECBINFHSA-N 1 0 376.401 -0.384 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)C(F)(F)F ZINC000625887555 530104453 /nfs/dbraw/zinc/10/44/53/530104453.db2.gz OUPJJKGIWVQJRP-VIFPVBQESA-N 1 0 376.401 -0.384 20 0 GBADRO COCCNS(=O)(=O)c1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000625947584 1072352571 /nfs/dbraw/zinc/35/25/71/1072352571.db2.gz SGSAPGVMJOHOPN-CQSZACIVSA-N 1 0 385.490 -0.282 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000626094891 530106821 /nfs/dbraw/zinc/10/68/21/530106821.db2.gz LNGGIRBDMMQFKY-HNNXBMFYSA-N 1 0 376.523 -0.775 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC000626094892 530106871 /nfs/dbraw/zinc/10/68/71/530106871.db2.gz LNGGIRBDMMQFKY-OAHLLOKOSA-N 1 0 376.523 -0.775 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O)c1ccccc1 ZINC000626096660 1072386461 /nfs/dbraw/zinc/38/64/61/1072386461.db2.gz BKQXPNQUDTZDAK-SJORKVTESA-N 1 0 398.529 -0.345 20 0 GBADRO CCN(CC(=O)NC(C)C)C(=O)CN1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626171075 530131638 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000627458361 1072356520 /nfs/dbraw/zinc/35/65/20/1072356520.db2.gz DRFRLKIFQYVLLA-UONOGXRCSA-N 1 0 386.460 -0.731 20 0 GBADRO C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[NH2+]1 ZINC000627477590 530135545 /nfs/dbraw/zinc/13/55/45/530135545.db2.gz YLWHFLCISSPVAN-NAKRPEOUSA-N 1 0 385.408 -0.323 20 0 GBADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[NH2+]1 ZINC000627477591 530135677 /nfs/dbraw/zinc/13/56/77/530135677.db2.gz YLWHFLCISSPVAN-RCWTZXSCSA-N 1 0 385.408 -0.323 20 0 GBADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[NH2+]1 ZINC000627477592 530135435 /nfs/dbraw/zinc/13/54/35/530135435.db2.gz YLWHFLCISSPVAN-VLEAKVRGSA-N 1 0 385.408 -0.323 20 0 GBADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[NH2+]1 ZINC000627477593 530135412 /nfs/dbraw/zinc/13/54/12/530135412.db2.gz YLWHFLCISSPVAN-ZNSHCXBVSA-N 1 0 385.408 -0.323 20 0 GBADRO 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ZINC000631916097 530140687 /nfs/dbraw/zinc/14/06/87/530140687.db2.gz RPCMWYYRVBFYIX-CYBMUJFWSA-N 1 0 389.440 -0.109 20 0 GBADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000631916098 530140675 /nfs/dbraw/zinc/14/06/75/530140675.db2.gz RPCMWYYRVBFYIX-ZDUSSCGKSA-N 1 0 389.440 -0.109 20 0 GBADRO Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631916954 1073632415 /nfs/dbraw/zinc/63/24/15/1073632415.db2.gz IEXZNWZATZFFNU-KRWDZBQOSA-N 1 0 381.498 0.000 20 0 GBADRO CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917756 530140492 /nfs/dbraw/zinc/14/04/92/530140492.db2.gz UTFPQIZIYMPLQU-HNNXBMFYSA-N 1 0 375.539 -0.553 20 0 GBADRO CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917757 530140690 /nfs/dbraw/zinc/14/06/90/530140690.db2.gz UTFPQIZIYMPLQU-OAHLLOKOSA-N 1 0 375.539 -0.553 20 0 GBADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000631924718 530140384 /nfs/dbraw/zinc/14/03/84/530140384.db2.gz CLJSZOWMUVFAFP-GFCCVEGCSA-N 1 0 379.433 -0.286 20 0 GBADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000631924719 530140564 /nfs/dbraw/zinc/14/05/64/530140564.db2.gz CLJSZOWMUVFAFP-LBPRGKRZSA-N 1 0 379.433 -0.286 20 0 GBADRO CCc1nsc(N2CCCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000631924759 530140638 /nfs/dbraw/zinc/14/06/38/530140638.db2.gz DJFVFCZYSDCVRF-GFCCVEGCSA-N 1 0 375.520 -0.069 20 0 GBADRO CCc1nsc(N2CCCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000631924760 530140087 /nfs/dbraw/zinc/14/00/87/530140087.db2.gz DJFVFCZYSDCVRF-LBPRGKRZSA-N 1 0 375.520 -0.069 20 0 GBADRO O=C1[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1c(F)cccc1F ZINC000631926118 530140369 /nfs/dbraw/zinc/14/03/69/530140369.db2.gz NZODMSVUMFHNPC-GWCFXTLKSA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1c(F)cccc1F ZINC000631926119 530140424 /nfs/dbraw/zinc/14/04/24/530140424.db2.gz NZODMSVUMFHNPC-GXFFZTMASA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1c(F)cccc1F ZINC000631926120 530140681 /nfs/dbraw/zinc/14/06/81/530140681.db2.gz NZODMSVUMFHNPC-MFKMUULPSA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1c(F)cccc1F ZINC000631926121 530140522 /nfs/dbraw/zinc/14/05/22/530140522.db2.gz NZODMSVUMFHNPC-ZWNOBZJWSA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1C[C@@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CN1c1c(F)cccc1F ZINC000631928971 530140649 /nfs/dbraw/zinc/14/06/49/530140649.db2.gz SRFSUWJTYIHHDW-GHMZBOCLSA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1C[C@@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CN1c1c(F)cccc1F ZINC000631928972 530140635 /nfs/dbraw/zinc/14/06/35/530140635.db2.gz SRFSUWJTYIHHDW-MNOVXSKESA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CN1c1c(F)cccc1F ZINC000631928973 530140204 /nfs/dbraw/zinc/14/02/04/530140204.db2.gz SRFSUWJTYIHHDW-QWRGUYRKSA-N 1 0 375.397 -0.022 20 0 GBADRO O=C1C[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CN1c1c(F)cccc1F ZINC000631928974 530140126 /nfs/dbraw/zinc/14/01/26/530140126.db2.gz SRFSUWJTYIHHDW-WDEREUQCSA-N 1 0 375.397 -0.022 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631929483 530140200 /nfs/dbraw/zinc/14/02/00/530140200.db2.gz GVGWFYYSRXJTMD-UHFFFAOYSA-N 1 0 396.579 -0.045 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000631933154 530140192 /nfs/dbraw/zinc/14/01/92/530140192.db2.gz DISSYULQTQDDHN-UHFFFAOYSA-N 1 0 396.579 -0.737 20 0 GBADRO O=C1C[C@@H](S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000631935216 530140255 /nfs/dbraw/zinc/14/02/55/530140255.db2.gz FTBRNBWJSZAVPV-NEPJUHHUSA-N 1 0 384.424 -0.495 20 0 GBADRO O=C1C[C@H](S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000631935217 530140631 /nfs/dbraw/zinc/14/06/31/530140631.db2.gz FTBRNBWJSZAVPV-NWDGAFQWSA-N 1 0 384.424 -0.495 20 0 GBADRO O=C1C[C@H](S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000631935218 530140671 /nfs/dbraw/zinc/14/06/71/530140671.db2.gz FTBRNBWJSZAVPV-RYUDHWBXSA-N 1 0 384.424 -0.495 20 0 GBADRO O=C1C[C@@H](S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000631935219 530141408 /nfs/dbraw/zinc/14/14/08/530141408.db2.gz FTBRNBWJSZAVPV-VXGBXAGGSA-N 1 0 384.424 -0.495 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631938342 530141492 /nfs/dbraw/zinc/14/14/92/530141492.db2.gz BCDRLGFEKNHKRT-DZGCQCFKSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000631938343 530141079 /nfs/dbraw/zinc/14/10/79/530141079.db2.gz BCDRLGFEKNHKRT-HIFRSBDPSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631938344 530141504 /nfs/dbraw/zinc/14/15/04/530141504.db2.gz BCDRLGFEKNHKRT-UKRRQHHQSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000631938345 530140917 /nfs/dbraw/zinc/14/09/17/530140917.db2.gz BCDRLGFEKNHKRT-ZFWWWQNUSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000631940729 530141427 /nfs/dbraw/zinc/14/14/27/530141427.db2.gz FOTAYVAILZZLFC-KKUMJFAQSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000631940730 530141391 /nfs/dbraw/zinc/14/13/91/530141391.db2.gz FOTAYVAILZZLFC-RRFJBIMHSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000631940731 530141071 /nfs/dbraw/zinc/14/10/71/530141071.db2.gz FOTAYVAILZZLFC-SOUVJXGZSA-N 1 0 379.548 -0.081 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000631940732 530141453 /nfs/dbraw/zinc/14/14/53/530141453.db2.gz FOTAYVAILZZLFC-ZNMIVQPWSA-N 1 0 379.548 -0.081 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000631947371 530141519 /nfs/dbraw/zinc/14/15/19/530141519.db2.gz AYRQEWZVOXHBDJ-GFCCVEGCSA-N 1 0 386.440 -0.294 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000631947372 530141332 /nfs/dbraw/zinc/14/13/32/530141332.db2.gz AYRQEWZVOXHBDJ-LBPRGKRZSA-N 1 0 386.440 -0.294 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000631949863 530141376 /nfs/dbraw/zinc/14/13/76/530141376.db2.gz RJMOOZQOSNJYSM-IVZWLZJFSA-N 1 0 380.410 -0.788 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000631949864 530141164 /nfs/dbraw/zinc/14/11/64/530141164.db2.gz RJMOOZQOSNJYSM-OPRDCNLKSA-N 1 0 380.410 -0.788 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000631954398 530141342 /nfs/dbraw/zinc/14/13/42/530141342.db2.gz KOCFZTVEOJXOMF-CWRNSKLLSA-N 1 0 387.527 -0.057 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000631954399 530141226 /nfs/dbraw/zinc/14/12/26/530141226.db2.gz KOCFZTVEOJXOMF-VNQPRFMTSA-N 1 0 387.527 -0.057 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000631962653 530141040 /nfs/dbraw/zinc/14/10/40/530141040.db2.gz MWVJBHVXSIUPGT-UHFFFAOYSA-N 1 0 388.515 -0.756 20 0 GBADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)s1 ZINC000631970262 530141065 /nfs/dbraw/zinc/14/10/65/530141065.db2.gz NRMUMAMBDJMIAX-QWRGUYRKSA-N 1 0 379.529 -0.035 20 0 GBADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970743 530141494 /nfs/dbraw/zinc/14/14/94/530141494.db2.gz COWHCPBVUSZSAZ-STQMWFEESA-N 1 0 387.483 -0.558 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000632021577 530142240 /nfs/dbraw/zinc/14/22/40/530142240.db2.gz LIUVBKBJDPDRTQ-CABCVRRESA-N 1 0 381.564 -0.101 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000632021578 530141723 /nfs/dbraw/zinc/14/17/23/530141723.db2.gz LIUVBKBJDPDRTQ-GJZGRUSLSA-N 1 0 381.564 -0.101 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000632021579 530142066 /nfs/dbraw/zinc/14/20/66/530142066.db2.gz LIUVBKBJDPDRTQ-HUUCEWRRSA-N 1 0 381.564 -0.101 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000632021580 530142227 /nfs/dbraw/zinc/14/22/27/530142227.db2.gz LIUVBKBJDPDRTQ-LSDHHAIUSA-N 1 0 381.564 -0.101 20 0 GBADRO Cc1nsc(N2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)CC2)n1 ZINC000632034006 530142172 /nfs/dbraw/zinc/14/21/72/530142172.db2.gz HVGWQCOYGQJSMT-UHFFFAOYSA-N 1 0 388.563 -0.064 20 0 GBADRO CC(C)OCCN1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632057410 530141907 /nfs/dbraw/zinc/14/19/07/530141907.db2.gz CTKJHVYWQXTMFQ-UHFFFAOYSA-N 1 0 376.567 -0.004 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632061932 530142023 /nfs/dbraw/zinc/14/20/23/530142023.db2.gz JFRWRPYEDLIGED-UHFFFAOYSA-N 1 0 385.552 -0.360 20 0 GBADRO CC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000632083512 530142203 /nfs/dbraw/zinc/14/22/03/530142203.db2.gz RXSBACGENPAQRE-HNNXBMFYSA-N 1 0 376.523 -0.819 20 0 GBADRO CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000632083513 530141703 /nfs/dbraw/zinc/14/17/03/530141703.db2.gz RXSBACGENPAQRE-OAHLLOKOSA-N 1 0 376.523 -0.819 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632084644 530142268 /nfs/dbraw/zinc/14/22/68/530142268.db2.gz GAEIOGVATLXVFS-KBPBESRZSA-N 1 0 385.552 -0.456 20 0 GBADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632084645 530142028 /nfs/dbraw/zinc/14/20/28/530142028.db2.gz GAEIOGVATLXVFS-KGLIPLIRSA-N 1 0 385.552 -0.456 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632084646 530142042 /nfs/dbraw/zinc/14/20/42/530142042.db2.gz GAEIOGVATLXVFS-UONOGXRCSA-N 1 0 385.552 -0.456 20 0 GBADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632084647 530142242 /nfs/dbraw/zinc/14/22/42/530142242.db2.gz GAEIOGVATLXVFS-ZIAGYGMSSA-N 1 0 385.552 -0.456 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1 ZINC000632085241 530142036 /nfs/dbraw/zinc/14/20/36/530142036.db2.gz MMUUDRGAHUNJOQ-CVEARBPZSA-N 1 0 393.575 -0.005 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC000632085246 530141781 /nfs/dbraw/zinc/14/17/81/530141781.db2.gz MMUUDRGAHUNJOQ-HOTGVXAUSA-N 1 0 393.575 -0.005 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC000632085248 530142098 /nfs/dbraw/zinc/14/20/98/530142098.db2.gz MMUUDRGAHUNJOQ-HZPDHXFCSA-N 1 0 393.575 -0.005 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000632085249 530142061 /nfs/dbraw/zinc/14/20/61/530142061.db2.gz MMUUDRGAHUNJOQ-JKSUJKDBSA-N 1 0 393.575 -0.005 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000632093963 530197757 /nfs/dbraw/zinc/19/77/57/530197757.db2.gz JVUGSVHLIYTIFF-CABCVRRESA-N 1 0 396.579 -0.739 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000632093964 530141732 /nfs/dbraw/zinc/14/17/32/530141732.db2.gz JVUGSVHLIYTIFF-GJZGRUSLSA-N 1 0 396.579 -0.739 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000632093965 530142123 /nfs/dbraw/zinc/14/21/23/530142123.db2.gz JVUGSVHLIYTIFF-HUUCEWRRSA-N 1 0 396.579 -0.739 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000632093966 530142188 /nfs/dbraw/zinc/14/21/88/530142188.db2.gz JVUGSVHLIYTIFF-LSDHHAIUSA-N 1 0 396.579 -0.739 20 0 GBADRO C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632104251 530141864 /nfs/dbraw/zinc/14/18/64/530141864.db2.gz FIGFZSZDYZVEHY-AWEZNQCLSA-N 1 0 381.564 -0.149 20 0 GBADRO C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632104253 530142643 /nfs/dbraw/zinc/14/26/43/530142643.db2.gz FIGFZSZDYZVEHY-CQSZACIVSA-N 1 0 381.564 -0.149 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000632106112 530179665 /nfs/dbraw/zinc/17/96/65/530179665.db2.gz GXDNFCLUZFNESR-UHFFFAOYSA-N 1 0 389.551 -0.790 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CCC[NH+](C)C)CC2)cn1C ZINC000632114469 530142860 /nfs/dbraw/zinc/14/28/60/530142860.db2.gz LHPDUUFGZHCLMK-UHFFFAOYSA-N 1 0 393.535 -0.684 20 0 GBADRO COCCCS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632124036 530075565 /nfs/dbraw/zinc/07/55/65/530075565.db2.gz PRLPYEDHXXOERD-UHFFFAOYSA-N 1 0 397.563 -0.214 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000632149551 530142906 /nfs/dbraw/zinc/14/29/06/530142906.db2.gz YVEVGEODGSMZRW-UHFFFAOYSA-N 1 0 391.515 -0.061 20 0 GBADRO CC(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)NCC[NH+](C)C ZINC000632150451 530142570 /nfs/dbraw/zinc/14/25/70/530142570.db2.gz DMDDVGBTDXAHDX-CABCVRRESA-N 1 0 378.539 -0.671 20 0 GBADRO CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)NCC[NH+](C)C ZINC000632150452 530142699 /nfs/dbraw/zinc/14/26/99/530142699.db2.gz DMDDVGBTDXAHDX-GJZGRUSLSA-N 1 0 378.539 -0.671 20 0 GBADRO CCN1C[C@@H](S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1=O ZINC000632150624 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ZINC000632208763 530142507 /nfs/dbraw/zinc/14/25/07/530142507.db2.gz LCXQOWPILQKVFL-UHFFFAOYSA-N 1 0 393.575 -0.003 20 0 GBADRO C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632256777 530143177 /nfs/dbraw/zinc/14/31/77/530143177.db2.gz MEVCGVUKFZVFRH-INIZCTEOSA-N 1 0 376.567 -0.269 20 0 GBADRO C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632256778 530143688 /nfs/dbraw/zinc/14/36/88/530143688.db2.gz MEVCGVUKFZVFRH-MRXNPFEDSA-N 1 0 376.567 -0.269 20 0 GBADRO C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCN1CC(C)(C)O ZINC000632257316 530143642 /nfs/dbraw/zinc/14/36/42/530143642.db2.gz CPIHJRRMDAEUKR-INIZCTEOSA-N 1 0 376.567 -0.269 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCN1CC(C)(C)O ZINC000632257317 530143380 /nfs/dbraw/zinc/14/33/80/530143380.db2.gz CPIHJRRMDAEUKR-MRXNPFEDSA-N 1 0 376.567 -0.269 20 0 GBADRO COCCN1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1=O ZINC000632264785 530143743 /nfs/dbraw/zinc/14/37/43/530143743.db2.gz FCZCJQLVKMYYCC-UHFFFAOYSA-N 1 0 376.523 -0.866 20 0 GBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000632273536 530143207 /nfs/dbraw/zinc/14/32/07/530143207.db2.gz RZBMNBRXAZGVRB-AWEZNQCLSA-N 1 0 385.552 -0.360 20 0 GBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000632273537 530143551 /nfs/dbraw/zinc/14/35/51/530143551.db2.gz RZBMNBRXAZGVRB-CQSZACIVSA-N 1 0 385.552 -0.360 20 0 GBADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000632278484 530143304 /nfs/dbraw/zinc/14/33/04/530143304.db2.gz SPUCWHZBASMKPB-CABCVRRESA-N 1 0 397.563 -0.312 20 0 GBADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000632278485 530143481 /nfs/dbraw/zinc/14/34/81/530143481.db2.gz SPUCWHZBASMKPB-GJZGRUSLSA-N 1 0 397.563 -0.312 20 0 GBADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000632278486 530143604 /nfs/dbraw/zinc/14/36/04/530143604.db2.gz SPUCWHZBASMKPB-HUUCEWRRSA-N 1 0 397.563 -0.312 20 0 GBADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000632278487 530143724 /nfs/dbraw/zinc/14/37/24/530143724.db2.gz SPUCWHZBASMKPB-LSDHHAIUSA-N 1 0 397.563 -0.312 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000632282149 530143583 /nfs/dbraw/zinc/14/35/83/530143583.db2.gz TYZSGLTURNUSEM-HNNXBMFYSA-N 1 0 381.564 -0.147 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000632282150 530143223 /nfs/dbraw/zinc/14/32/23/530143223.db2.gz TYZSGLTURNUSEM-OAHLLOKOSA-N 1 0 381.564 -0.147 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C)(C)S(=O)(=O)CC2)CC1 ZINC000632282566 530143575 /nfs/dbraw/zinc/14/35/75/530143575.db2.gz AKECDYHXJIFXAC-UHFFFAOYSA-N 1 0 381.564 -0.147 20 0 GBADRO C[C@@H]1CN(CCN(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000632287652 530143749 /nfs/dbraw/zinc/14/37/49/530143749.db2.gz QKWJAYFSKGMDEE-CALCHBBNSA-N 1 0 376.567 -0.005 20 0 GBADRO CN(CCN1CCOC(C)(C)C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632287830 530143522 /nfs/dbraw/zinc/14/35/22/530143522.db2.gz YDZLZCYYDIKTGT-UHFFFAOYSA-N 1 0 376.567 -0.004 20 0 GBADRO C[N@@H+]1CCN(CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1(C)C ZINC000632304630 530144445 /nfs/dbraw/zinc/14/44/45/530144445.db2.gz YBIPTPVFSJSYJH-AWEZNQCLSA-N 1 0 396.579 -0.787 20 0 GBADRO C[N@@H+]1CCN(CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1(C)C ZINC000632304631 530144508 /nfs/dbraw/zinc/14/45/08/530144508.db2.gz YBIPTPVFSJSYJH-CQSZACIVSA-N 1 0 396.579 -0.787 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000632309631 530144320 /nfs/dbraw/zinc/14/43/20/530144320.db2.gz JXNOGJDEUCUKFH-CABCVRRESA-N 1 0 396.579 -0.739 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000632309632 530144337 /nfs/dbraw/zinc/14/43/37/530144337.db2.gz JXNOGJDEUCUKFH-GJZGRUSLSA-N 1 0 396.579 -0.739 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000632309633 530144364 /nfs/dbraw/zinc/14/43/64/530144364.db2.gz JXNOGJDEUCUKFH-HUUCEWRRSA-N 1 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-0.143 20 0 GBADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000636443800 1073001579 /nfs/dbraw/zinc/00/15/79/1073001579.db2.gz DTQZMUPSLYMAHX-UHFFFAOYSA-N 1 0 382.505 -0.462 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 ZINC000636452652 1073005838 /nfs/dbraw/zinc/00/58/38/1073005838.db2.gz BKYZBZWYHGQDKO-INIZCTEOSA-N 1 0 383.456 -0.061 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)c1ccccc1 ZINC000636452653 1073005796 /nfs/dbraw/zinc/00/57/96/1073005796.db2.gz BKYZBZWYHGQDKO-MRXNPFEDSA-N 1 0 383.456 -0.061 20 0 GBADRO CC(C)[NH+](CCNC(=O)C(=O)NCCCN1CCCS1(=O)=O)C(C)C ZINC000636452749 530127538 /nfs/dbraw/zinc/12/75/38/530127538.db2.gz DTPDYYHKNUQPCW-UHFFFAOYSA-N 1 0 376.523 -0.237 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CCCS1(=O)=O)c1ccccc1 ZINC000636453267 1073005622 /nfs/dbraw/zinc/00/56/22/1073005622.db2.gz UXIZLKOUBKCUEW-INIZCTEOSA-N 1 0 396.513 -0.053 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CCCS1(=O)=O)c1ccccc1 ZINC000636453268 1073006304 /nfs/dbraw/zinc/00/63/04/1073006304.db2.gz UXIZLKOUBKCUEW-MRXNPFEDSA-N 1 0 396.513 -0.053 20 0 GBADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3nccnn3)CC2)CCCCC1 ZINC000636456116 1073007294 /nfs/dbraw/zinc/00/72/94/1073007294.db2.gz QQRKORMPVWLTKM-UHFFFAOYSA-N 1 0 375.477 -0.099 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000636457703 1073007709 /nfs/dbraw/zinc/00/77/09/1073007709.db2.gz IPLADHOJSUCELR-UHFFFAOYSA-N 1 0 396.532 -0.073 20 0 GBADRO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000636458437 1073009063 /nfs/dbraw/zinc/00/90/63/1073009063.db2.gz FVIWVJXXHJSKHY-KRWDZBQOSA-N 1 0 375.473 -0.391 20 0 GBADRO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000636458438 1073008552 /nfs/dbraw/zinc/00/85/52/1073008552.db2.gz FVIWVJXXHJSKHY-QGZVFWFLSA-N 1 0 375.473 -0.391 20 0 GBADRO CC(C)(CNC(=O)C(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCCCC1 ZINC000636460342 1073009859 /nfs/dbraw/zinc/00/98/59/1073009859.db2.gz HMEDXLAUAODZSA-UHFFFAOYSA-N 1 0 388.534 -0.091 20 0 GBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)Cc1ccccc1 ZINC000636462116 1073010521 /nfs/dbraw/zinc/01/05/21/1073010521.db2.gz AHCGCYIBGSMCJL-KRWDZBQOSA-N 1 0 397.483 -0.191 20 0 GBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)Cc1ccccc1 ZINC000636462117 1073011708 /nfs/dbraw/zinc/01/17/08/1073011708.db2.gz AHCGCYIBGSMCJL-QGZVFWFLSA-N 1 0 397.483 -0.191 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2COCCN2C)[NH+](C)C)c1 ZINC000636463653 1073011497 /nfs/dbraw/zinc/01/14/97/1073011497.db2.gz IKEVVVBEKZNXFE-RDJZCZTQSA-N 1 0 378.473 -0.139 20 0 GBADRO COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCCN2C)[NH+](C)C)c1 ZINC000636463654 1073011402 /nfs/dbraw/zinc/01/14/02/1073011402.db2.gz IKEVVVBEKZNXFE-WBVHZDCISA-N 1 0 378.473 -0.139 20 0 GBADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636464565 1073012264 /nfs/dbraw/zinc/01/22/64/1073012264.db2.gz DYYRUGHZTRNWMO-KRWDZBQOSA-N 1 0 395.467 -0.089 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636464566 1073012787 /nfs/dbraw/zinc/01/27/87/1073012787.db2.gz DYYRUGHZTRNWMO-QGZVFWFLSA-N 1 0 395.467 -0.089 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000636472076 1073043778 /nfs/dbraw/zinc/04/37/78/1073043778.db2.gz UWFCZEYLRIBGDL-INIZCTEOSA-N 1 0 383.518 -0.051 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000636472077 1073044111 /nfs/dbraw/zinc/04/41/11/1073044111.db2.gz UWFCZEYLRIBGDL-MRXNPFEDSA-N 1 0 383.518 -0.051 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000636486756 530132740 /nfs/dbraw/zinc/13/27/40/530132740.db2.gz WBYQXFAKAZJJQH-AWEZNQCLSA-N 1 0 377.511 -0.867 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000636486757 530132856 /nfs/dbraw/zinc/13/28/56/530132856.db2.gz WBYQXFAKAZJJQH-CQSZACIVSA-N 1 0 377.511 -0.867 20 0 GBADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000636494799 1073112957 /nfs/dbraw/zinc/11/29/57/1073112957.db2.gz UVMZJUJWXJRYNV-UHFFFAOYSA-N 1 0 386.500 -0.094 20 0 GBADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000636498563 1073240568 /nfs/dbraw/zinc/24/05/68/1073240568.db2.gz VIFKDAFSCLVZPY-UHFFFAOYSA-N 1 0 388.534 -0.235 20 0 GBADRO CCOC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCO1 ZINC000636502522 1073251189 /nfs/dbraw/zinc/25/11/89/1073251189.db2.gz MVJCSLWKULPZHQ-IRXDYDNUSA-N 1 0 384.521 -0.362 20 0 GBADRO CCOC[C@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCO1 ZINC000636502523 1073251349 /nfs/dbraw/zinc/25/13/49/1073251349.db2.gz MVJCSLWKULPZHQ-SJORKVTESA-N 1 0 384.521 -0.362 20 0 GBADRO COC[C@]1(C)CN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CCO1 ZINC000636502746 1073251585 /nfs/dbraw/zinc/25/15/85/1073251585.db2.gz TVIDGLNKUGFCBW-APWZRJJASA-N 1 0 384.521 -0.362 20 0 GBADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000636502770 1073251396 /nfs/dbraw/zinc/25/13/96/1073251396.db2.gz UKVMKKRPKAWFEB-BXWFABGCSA-N 1 0 384.521 -0.627 20 0 GBADRO CO[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000636502771 1073251600 /nfs/dbraw/zinc/25/16/00/1073251600.db2.gz UKVMKKRPKAWFEB-FCEWJHQRSA-N 1 0 384.521 -0.627 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)N1CC[NH+](C)CC1 ZINC000636502802 1073251127 /nfs/dbraw/zinc/25/11/27/1073251127.db2.gz VDAOKMCFDALQHA-ABSDTBQOSA-N 1 0 380.533 -0.004 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)N1CC[NH+](C)CC1 ZINC000636502803 1073251226 /nfs/dbraw/zinc/25/12/26/1073251226.db2.gz VDAOKMCFDALQHA-SQGPQFPESA-N 1 0 380.533 -0.004 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CC1 ZINC000636516803 1073302057 /nfs/dbraw/zinc/30/20/57/1073302057.db2.gz NZTQQBYGLBZOKK-HNNXBMFYSA-N 1 0 389.491 -0.026 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCN2CC(F)F)CC1 ZINC000636516804 1073302120 /nfs/dbraw/zinc/30/21/20/1073302120.db2.gz NZTQQBYGLBZOKK-OAHLLOKOSA-N 1 0 389.491 -0.026 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000636516962 1073302640 /nfs/dbraw/zinc/30/26/40/1073302640.db2.gz SMAAGWIQQMCSTM-GXTWGEPZSA-N 1 0 394.438 -0.242 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(NS(C)(=O)=O)C3)cn2)CC1 ZINC000636517680 1073304607 /nfs/dbraw/zinc/30/46/07/1073304607.db2.gz SFPLQRYMWDKHCJ-UHFFFAOYSA-N 1 0 382.490 -0.724 20 0 GBADRO CN1CCOC[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000636518274 1073305356 /nfs/dbraw/zinc/30/53/56/1073305356.db2.gz LBEGKTYWROXGCI-INIZCTEOSA-N 1 0 378.473 -0.310 20 0 GBADRO CN1CCOC[C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000636518275 1073305795 /nfs/dbraw/zinc/30/57/95/1073305795.db2.gz LBEGKTYWROXGCI-MRXNPFEDSA-N 1 0 378.473 -0.310 20 0 GBADRO CN1CCOC[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000636519740 1073307553 /nfs/dbraw/zinc/30/75/53/1073307553.db2.gz XJCJLWKXZBPPPI-INIZCTEOSA-N 1 0 378.473 -0.310 20 0 GBADRO CN1CCOC[C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000636519741 1073307263 /nfs/dbraw/zinc/30/72/63/1073307263.db2.gz XJCJLWKXZBPPPI-MRXNPFEDSA-N 1 0 378.473 -0.310 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000636523553 1073314911 /nfs/dbraw/zinc/31/49/11/1073314911.db2.gz MOLLXUPEMVOJOG-HNNXBMFYSA-N 1 0 389.566 -0.017 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000636523554 1073315081 /nfs/dbraw/zinc/31/50/81/1073315081.db2.gz MOLLXUPEMVOJOG-OAHLLOKOSA-N 1 0 389.566 -0.017 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000636523870 1073314866 /nfs/dbraw/zinc/31/48/66/1073314866.db2.gz XCOPZKMCSXZJCS-UHFFFAOYSA-N 1 0 387.550 -0.168 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000636524375 1073315419 /nfs/dbraw/zinc/31/54/19/1073315419.db2.gz LNUBWWOXKGQOCM-HOTGVXAUSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000636524376 1073315628 /nfs/dbraw/zinc/31/56/28/1073315628.db2.gz LNUBWWOXKGQOCM-HZPDHXFCSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000636524377 1073315935 /nfs/dbraw/zinc/31/59/35/1073315935.db2.gz LNUBWWOXKGQOCM-JKSUJKDBSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000636524378 1073315854 /nfs/dbraw/zinc/31/58/54/1073315854.db2.gz LNYHXAVUOASXJF-CVEARBPZSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000636524379 1073315716 /nfs/dbraw/zinc/31/57/16/1073315716.db2.gz LNYHXAVUOASXJF-HOTGVXAUSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000636524380 1073315595 /nfs/dbraw/zinc/31/55/95/1073315595.db2.gz LNYHXAVUOASXJF-HZPDHXFCSA-N 1 0 384.525 -0.402 20 0 GBADRO CNC(=O)NC[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000636524381 1073315516 /nfs/dbraw/zinc/31/55/16/1073315516.db2.gz LNYHXAVUOASXJF-JKSUJKDBSA-N 1 0 384.525 -0.402 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCN(c2nccnn2)CC1)[NH+]1CCN(C)CC1 ZINC000636524411 1073315736 /nfs/dbraw/zinc/31/57/36/1073315736.db2.gz MITYSZQTNSMAFQ-INIZCTEOSA-N 1 0 376.509 -0.025 20 0 GBADRO CC(C)[C@@H](CNC(=O)NC1CN(S(=O)(=O)N(C)C)C1)[NH+]1CCN(C)CC1 ZINC000636524432 1073315682 /nfs/dbraw/zinc/31/56/82/1073315682.db2.gz MWYHCJSEZVUJMT-OAHLLOKOSA-N 1 0 390.554 -0.952 20 0 GBADRO CC(=O)NCC(=O)N1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000636534373 1073318986 /nfs/dbraw/zinc/31/89/86/1073318986.db2.gz RHMQVZVBBKHRPS-UHFFFAOYSA-N 1 0 396.536 -0.608 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000636535361 1073320103 /nfs/dbraw/zinc/32/01/03/1073320103.db2.gz AUCKIWWDCQYREK-UHFFFAOYSA-N 1 0 395.529 -0.123 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636535373 1073319511 /nfs/dbraw/zinc/31/95/11/1073319511.db2.gz BFGPKYYIHDSARG-QGZVFWFLSA-N 1 0 393.532 -0.210 20 0 GBADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000636535840 1073319347 /nfs/dbraw/zinc/31/93/47/1073319347.db2.gz OXYRQHLRAPIDCM-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636536030 1073319378 /nfs/dbraw/zinc/31/93/78/1073319378.db2.gz VAQPFUIRWGQPJT-INIZCTEOSA-N 1 0 379.505 -0.600 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636553693 1073343137 /nfs/dbraw/zinc/34/31/37/1073343137.db2.gz DIIPCMKKWJUDDY-UHFFFAOYSA-N 1 0 393.532 -0.210 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636554125 1073343806 /nfs/dbraw/zinc/34/38/06/1073343806.db2.gz NJIOZHBISBNOMV-INIZCTEOSA-N 1 0 379.505 -0.554 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636554126 1073344007 /nfs/dbraw/zinc/34/40/07/1073344007.db2.gz NJIOZHBISBNOMV-MRXNPFEDSA-N 1 0 379.505 -0.554 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCN2CCCS2(=O)=O)CCSC1 ZINC000636557558 530149864 /nfs/dbraw/zinc/14/98/64/530149864.db2.gz VMRUWPXQHJYBNN-HNNXBMFYSA-N 1 0 392.547 -0.918 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCN2CCCS2(=O)=O)CCSC1 ZINC000636557559 530149700 /nfs/dbraw/zinc/14/97/00/530149700.db2.gz VMRUWPXQHJYBNN-OAHLLOKOSA-N 1 0 392.547 -0.918 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N2CCOC[C@H]2CNC(=O)NC)CC1 ZINC000636563035 1073350012 /nfs/dbraw/zinc/35/00/12/1073350012.db2.gz LTIDEWKOVXQHCA-MRXNPFEDSA-N 1 0 384.525 -0.257 20 0 GBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000636565693 1073356264 /nfs/dbraw/zinc/35/62/64/1073356264.db2.gz IMZBWEHOTPGVBI-UHFFFAOYSA-N 1 0 396.513 -0.094 20 0 GBADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000636565868 1073357027 /nfs/dbraw/zinc/35/70/27/1073357027.db2.gz MLZXLBKRTHCHNT-UHFFFAOYSA-N 1 0 383.456 -0.102 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000636567747 1073359743 /nfs/dbraw/zinc/35/97/43/1073359743.db2.gz MXBNJVRJDSKRGK-AEFFLSMTSA-N 1 0 386.500 -0.094 20 0 GBADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000636570534 1073359524 /nfs/dbraw/zinc/35/95/24/1073359524.db2.gz PDTPRNHBJFBAJI-MRXNPFEDSA-N 1 0 386.500 -0.236 20 0 GBADRO CN1CCOC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636575580 1073361096 /nfs/dbraw/zinc/36/10/96/1073361096.db2.gz GDWPRARBWQYPGD-HNNXBMFYSA-N 1 0 384.546 -0.089 20 0 GBADRO CN1CCOC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636575581 1073360753 /nfs/dbraw/zinc/36/07/53/1073360753.db2.gz GDWPRARBWQYPGD-OAHLLOKOSA-N 1 0 384.546 -0.089 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C[NH+]1CCN(C)CC1 ZINC000636583486 1073362014 /nfs/dbraw/zinc/36/20/14/1073362014.db2.gz COUDOCCMDZKRQC-MELADBBJSA-N 1 0 394.438 -0.385 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F)C[NH+]1CCN(C)CC1 ZINC000636584239 1073361501 /nfs/dbraw/zinc/36/15/01/1073361501.db2.gz WSRPWILSDINHIM-HUUCEWRRSA-N 1 0 389.491 -0.168 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F)C[NH+]1CCN(C)CC1 ZINC000636584240 1073361706 /nfs/dbraw/zinc/36/17/06/1073361706.db2.gz WSRPWILSDINHIM-LSDHHAIUSA-N 1 0 389.491 -0.168 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](OC)C[C@@]2(C)CO)CC1 ZINC000636584387 1073361821 /nfs/dbraw/zinc/36/18/21/1073361821.db2.gz ARECOELNSVSNCO-GJYPPUQNSA-N 1 0 384.521 -0.626 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](OC)C[C@]2(C)CO)CC1 ZINC000636584388 1073361606 /nfs/dbraw/zinc/36/16/06/1073361606.db2.gz ARECOELNSVSNCO-GPMSIDNRSA-N 1 0 384.521 -0.626 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](OC)C[C@]2(C)CO)CC1 ZINC000636584389 1073361780 /nfs/dbraw/zinc/36/17/80/1073361780.db2.gz ARECOELNSVSNCO-JTDSTZFVSA-N 1 0 384.521 -0.626 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](OC)C[C@@]2(C)CO)CC1 ZINC000636584390 1073361753 /nfs/dbraw/zinc/36/17/53/1073361753.db2.gz ARECOELNSVSNCO-MDZRGWNJSA-N 1 0 384.521 -0.626 20 0 GBADRO CCOC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000636585296 1073361928 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UREGTUXTINZCGE-HNNXBMFYSA-N 1 0 388.534 -0.093 20 0 GBADRO CCN(CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)S(C)(=O)=O ZINC000636597307 1073363143 /nfs/dbraw/zinc/36/31/43/1073363143.db2.gz UREGTUXTINZCGE-OAHLLOKOSA-N 1 0 388.534 -0.093 20 0 GBADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 ZINC000636601312 1073363163 /nfs/dbraw/zinc/36/31/63/1073363163.db2.gz CEIKZJWNQJNLKM-UHFFFAOYSA-N 1 0 375.477 -0.242 20 0 GBADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000636601963 1073363217 /nfs/dbraw/zinc/36/32/17/1073363217.db2.gz ZIIXIGKAPKCKSM-UHFFFAOYSA-N 1 0 396.532 -0.073 20 0 GBADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000636602219 1073363339 /nfs/dbraw/zinc/36/33/39/1073363339.db2.gz IRJZDLWXEMRAAB-UHFFFAOYSA-N 1 0 388.534 -0.234 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(c2nccnn2)CC1)Cc1ccccc1 ZINC000636605131 1073363397 /nfs/dbraw/zinc/36/33/97/1073363397.db2.gz IFVVXRCGCDETLE-UHFFFAOYSA-N 1 0 383.456 -0.232 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636609782 1073363964 /nfs/dbraw/zinc/36/39/64/1073363964.db2.gz CWDZHIWPWBTCEN-CABCVRRESA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636609783 1073364475 /nfs/dbraw/zinc/36/44/75/1073364475.db2.gz CWDZHIWPWBTCEN-GJZGRUSLSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636609784 1073364384 /nfs/dbraw/zinc/36/43/84/1073364384.db2.gz CWDZHIWPWBTCEN-HUUCEWRRSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636609785 1073364220 /nfs/dbraw/zinc/36/42/20/1073364220.db2.gz CWDZHIWPWBTCEN-LSDHHAIUSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636610697 1073365229 /nfs/dbraw/zinc/36/52/29/1073365229.db2.gz YMQNGTNDAYFPFR-CABCVRRESA-N 1 0 375.477 -0.243 20 0 GBADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636610698 1073364725 /nfs/dbraw/zinc/36/47/25/1073364725.db2.gz YMQNGTNDAYFPFR-GJZGRUSLSA-N 1 0 375.477 -0.243 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636610699 1073364783 /nfs/dbraw/zinc/36/47/83/1073364783.db2.gz YMQNGTNDAYFPFR-HUUCEWRRSA-N 1 0 375.477 -0.243 20 0 GBADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636610700 1073365283 /nfs/dbraw/zinc/36/52/83/1073365283.db2.gz YMQNGTNDAYFPFR-LSDHHAIUSA-N 1 0 375.477 -0.243 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C1CC1 ZINC000636614227 1073365674 /nfs/dbraw/zinc/36/56/74/1073365674.db2.gz YUYWADLNSJUZDD-QGZVFWFLSA-N 1 0 375.473 -0.391 20 0 GBADRO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636615854 1073366583 /nfs/dbraw/zinc/36/65/83/1073366583.db2.gz OGIMXLHEJWJQHW-HNNXBMFYSA-N 1 0 380.489 -0.173 20 0 GBADRO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636615855 1073366858 /nfs/dbraw/zinc/36/68/58/1073366858.db2.gz OGIMXLHEJWJQHW-OAHLLOKOSA-N 1 0 380.489 -0.173 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000636618458 1073366693 /nfs/dbraw/zinc/36/66/93/1073366693.db2.gz FKSDAWMTQUJCEB-HNNXBMFYSA-N 1 0 383.518 -0.051 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000636618459 1073366200 /nfs/dbraw/zinc/36/62/00/1073366200.db2.gz FKSDAWMTQUJCEB-OAHLLOKOSA-N 1 0 383.518 -0.051 20 0 GBADRO O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636619077 1073366474 /nfs/dbraw/zinc/36/64/74/1073366474.db2.gz UOFUUWBXMVUMIR-AEFFLSMTSA-N 1 0 387.484 -0.249 20 0 GBADRO O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636619078 1073366615 /nfs/dbraw/zinc/36/66/15/1073366615.db2.gz UOFUUWBXMVUMIR-FUHWJXTLSA-N 1 0 387.484 -0.249 20 0 GBADRO O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636619079 1073366558 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ASCFMIOVCGNOCP-WBVHZDCISA-N 1 0 377.489 -0.145 20 0 GBADRO CN1CCOC[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000636620257 1073367212 /nfs/dbraw/zinc/36/72/12/1073367212.db2.gz ACVJSXFWXBLNNF-INIZCTEOSA-N 1 0 378.473 -0.310 20 0 GBADRO CN1CCOC[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000636620258 1073367349 /nfs/dbraw/zinc/36/73/49/1073367349.db2.gz ACVJSXFWXBLNNF-MRXNPFEDSA-N 1 0 378.473 -0.310 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCN1CCCS1(=O)=O)[NH+]1CCC(C)CC1 ZINC000636626323 1073368200 /nfs/dbraw/zinc/36/82/00/1073368200.db2.gz MIKNPQDQBZOXKO-OAHLLOKOSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)[NH+]1CCC(C)CC1 ZINC000636626403 1073368171 /nfs/dbraw/zinc/36/81/71/1073368171.db2.gz OSPIZSCPLUKKTH-HNNXBMFYSA-N 1 0 375.477 -0.243 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCN(c2nccnn2)CC1)[NH+]1CCC(C)CC1 ZINC000636626404 1073368048 /nfs/dbraw/zinc/36/80/48/1073368048.db2.gz OSPIZSCPLUKKTH-OAHLLOKOSA-N 1 0 375.477 -0.243 20 0 GBADRO 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NDXYFEIMNNSOBJ-OAHLLOKOSA-N 1 0 380.489 -0.173 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)N2CC(NS(C)(=O)=O)C2)c2ccccc2)CC1 ZINC000636719781 1073560361 /nfs/dbraw/zinc/56/03/61/1073560361.db2.gz VAOVNNVFLVXJQT-KRWDZBQOSA-N 1 0 395.529 -0.082 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)c2ccccc2)CC1 ZINC000636719782 1073561013 /nfs/dbraw/zinc/56/10/13/1073561013.db2.gz VAOVNNVFLVXJQT-QGZVFWFLSA-N 1 0 395.529 -0.082 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1(C)C ZINC000636728595 1073562634 /nfs/dbraw/zinc/56/26/34/1073562634.db2.gz CRJPVNOQFWJMAN-QWHCGFSZSA-N 1 0 394.438 -0.242 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCC(C)(C)C(=O)N2CCCC2)CC1(C)C ZINC000636728676 1073563480 /nfs/dbraw/zinc/56/34/80/1073563480.db2.gz DVIOTHUSZHSZFW-UHFFFAOYSA-N 1 0 395.548 -0.107 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CC1(C)C ZINC000636730602 1073563345 /nfs/dbraw/zinc/56/33/45/1073563345.db2.gz VMHZGEIPDBIAKB-AWEZNQCLSA-N 1 0 389.491 -0.026 20 0 GBADRO 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386.518 -0.481 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636929744 1073590296 /nfs/dbraw/zinc/59/02/96/1073590296.db2.gz ZYMXSLLLVFBVQU-AWEZNQCLSA-N 1 0 388.534 -0.235 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000636929745 1073590380 /nfs/dbraw/zinc/59/03/80/1073590380.db2.gz ZYMXSLLLVFBVQU-CQSZACIVSA-N 1 0 388.534 -0.235 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000636958511 1073592140 /nfs/dbraw/zinc/59/21/40/1073592140.db2.gz CPCXHTVHEQKPFN-DLBZAZTESA-N 1 0 394.516 -0.417 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000636958512 1073593339 /nfs/dbraw/zinc/59/33/39/1073593339.db2.gz CPCXHTVHEQKPFN-IAGOWNOFSA-N 1 0 394.516 -0.417 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000636958513 1073593829 /nfs/dbraw/zinc/59/38/29/1073593829.db2.gz CPCXHTVHEQKPFN-IRXDYDNUSA-N 1 0 394.516 -0.417 20 0 GBADRO Cc1ncccc1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000636959012 1073592832 /nfs/dbraw/zinc/59/28/32/1073592832.db2.gz HGFQNXZDXFZQSE-UHFFFAOYSA-N 1 0 389.500 -0.081 20 0 GBADRO CN(C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000636959563 1073593839 /nfs/dbraw/zinc/59/38/39/1073593839.db2.gz NEPYIGYPDCECJR-IAGOWNOFSA-N 1 0 396.532 -0.339 20 0 GBADRO CC[C@]1(O)CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000636960663 1073593187 /nfs/dbraw/zinc/59/31/87/1073593187.db2.gz ZDNPXKVZIKVGOH-FQEVSTJZSA-N 1 0 396.532 -0.337 20 0 GBADRO CC[C@@]1(O)CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000636960664 1073593663 /nfs/dbraw/zinc/59/36/63/1073593663.db2.gz ZDNPXKVZIKVGOH-HXUWFJFHSA-N 1 0 396.532 -0.337 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000636985397 1073599865 /nfs/dbraw/zinc/59/98/65/1073599865.db2.gz BCFSYBAMKFFGND-UHFFFAOYSA-N 1 0 387.550 -0.168 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000636986795 1073598259 /nfs/dbraw/zinc/59/82/59/1073598259.db2.gz KPWCZCQVACVLMY-HNNXBMFYSA-N 1 0 389.566 -0.017 20 0 GBADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 ZINC000636994298 1073600915 /nfs/dbraw/zinc/60/09/15/1073600915.db2.gz UWGHWOBWJFAUPB-UHFFFAOYSA-N 1 0 380.489 -0.172 20 0 GBADRO O=C(NCCCN1CCCS1(=O)=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637004980 1073601677 /nfs/dbraw/zinc/60/16/77/1073601677.db2.gz FOEFHVWUNHNXCD-HUUCEWRRSA-N 1 0 386.518 -0.339 20 0 GBADRO O=C(NCCCN1CCCS1(=O)=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637004981 1073601715 /nfs/dbraw/zinc/60/17/15/1073601715.db2.gz FOEFHVWUNHNXCD-LSDHHAIUSA-N 1 0 386.518 -0.339 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000637005542 1073601869 /nfs/dbraw/zinc/60/18/69/1073601869.db2.gz DPVMGZDLQCDCCV-KBPBESRZSA-N 1 0 387.502 -0.609 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000637005543 1073601728 /nfs/dbraw/zinc/60/17/28/1073601728.db2.gz 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1073618265 /nfs/dbraw/zinc/61/82/65/1073618265.db2.gz SQIQMORAFUMYNW-CVEARBPZSA-N 1 0 380.489 -0.317 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000637134830 1073618227 /nfs/dbraw/zinc/61/82/27/1073618227.db2.gz SQIQMORAFUMYNW-HOTGVXAUSA-N 1 0 380.489 -0.317 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000637134831 1073618199 /nfs/dbraw/zinc/61/81/99/1073618199.db2.gz SQIQMORAFUMYNW-HZPDHXFCSA-N 1 0 380.489 -0.317 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000637134832 1073618176 /nfs/dbraw/zinc/61/81/76/1073618176.db2.gz SQIQMORAFUMYNW-JKSUJKDBSA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCN1CCCS1(=O)=O)C[NH+]1CCCCC1 ZINC000637175649 1073623200 /nfs/dbraw/zinc/62/32/00/1073623200.db2.gz HEGDHPOWQAVKIE-HNNXBMFYSA-N 1 0 388.534 -0.234 20 0 GBADRO O=C(NCCCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637175844 1073623167 /nfs/dbraw/zinc/62/31/67/1073623167.db2.gz 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377.511 -0.771 20 0 GBADRO CC[NH+](CC)CCN(CCOC)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637539657 530201768 /nfs/dbraw/zinc/20/17/68/530201768.db2.gz AGQYCHXVGRFFIF-UHFFFAOYSA-N 1 0 379.527 -0.523 20 0 GBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637540092 1073709419 /nfs/dbraw/zinc/70/94/19/1073709419.db2.gz ABFUOVRMVLCHEQ-CYBMUJFWSA-N 1 0 389.522 -0.628 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637540093 1073709460 /nfs/dbraw/zinc/70/94/60/1073709460.db2.gz ABFUOVRMVLCHEQ-ZDUSSCGKSA-N 1 0 389.522 -0.628 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000637540145 1073709153 /nfs/dbraw/zinc/70/91/53/1073709153.db2.gz BFVGFTLPBBXXEF-AWEZNQCLSA-N 1 0 389.522 -0.769 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000637540593 530201636 /nfs/dbraw/zinc/20/16/36/530201636.db2.gz LUBCKZZBYAAFOG-UHFFFAOYSA-N 1 0 377.511 -0.771 20 0 GBADRO 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COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)[C@@H]2CCOC[C@@H]2C)CC1=O ZINC000641643944 530426563 /nfs/dbraw/zinc/42/65/63/530426563.db2.gz UGNHECAPVSRFSV-RRFJBIMHSA-N 1 0 377.507 -0.490 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)[C@H]2CCOC[C@@H]2C)CC1=O ZINC000641643945 530426372 /nfs/dbraw/zinc/42/63/72/530426372.db2.gz UGNHECAPVSRFSV-ZNMIVQPWSA-N 1 0 377.507 -0.490 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000641650231 530426644 /nfs/dbraw/zinc/42/66/44/530426644.db2.gz KHMVCXTUXGFAKF-UHFFFAOYSA-N 1 0 375.583 -0.429 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000641650798 530426437 /nfs/dbraw/zinc/42/64/37/530426437.db2.gz VSWGUOUFOCDSHY-UHFFFAOYSA-N 1 0 384.568 -0.785 20 0 GBADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000641650945 530426502 /nfs/dbraw/zinc/42/65/02/530426502.db2.gz XJVSRGDTBHIZHH-UHFFFAOYSA-N 1 0 390.531 -0.209 20 0 GBADRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669874 530427600 /nfs/dbraw/zinc/42/76/00/530427600.db2.gz ZGDIEPLNDNNKQH-AWEZNQCLSA-N 1 0 376.523 -0.773 20 0 GBADRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641669879 530427686 /nfs/dbraw/zinc/42/76/86/530427686.db2.gz ZGDIEPLNDNNKQH-CQSZACIVSA-N 1 0 376.523 -0.773 20 0 GBADRO COC[C@@]1(CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCC[NH2+]1 ZINC000641800341 1073311680 /nfs/dbraw/zinc/31/16/80/1073311680.db2.gz GGURQMPESASIOP-SFHVURJKSA-N 1 0 376.461 -0.219 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC/C=C/C[NH3+])CC2)C[C@H](C)O1 ZINC000641864272 530431577 /nfs/dbraw/zinc/43/15/77/530431577.db2.gz BJBQTJUSKQTUPA-ISANGGDFSA-N 1 0 375.495 -0.818 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC/C=C\C[NH3+])CC2)C[C@@H](C)O1 ZINC000641864273 530431332 /nfs/dbraw/zinc/43/13/32/530431332.db2.gz BJBQTJUSKQTUPA-JHZNUDOXSA-N 1 0 375.495 -0.818 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC/C=C\C[NH3+])CC2)C[C@H](C)O1 ZINC000641864274 530431561 /nfs/dbraw/zinc/43/15/61/530431561.db2.gz BJBQTJUSKQTUPA-LQOBQMSGSA-N 1 0 375.495 -0.818 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC/C=C/C[NH3+])CC2)C[C@@H](C)O1 ZINC000641864275 530431319 /nfs/dbraw/zinc/43/13/19/530431319.db2.gz BJBQTJUSKQTUPA-LSMGEYOZSA-N 1 0 375.495 -0.818 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000642244532 530450654 /nfs/dbraw/zinc/45/06/54/530450654.db2.gz OXOMHCGJCYJOAE-UHFFFAOYSA-N 1 0 383.246 -0.387 20 0 GBADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000642335113 530464707 /nfs/dbraw/zinc/46/47/07/530464707.db2.gz JQGGOCXHEBCLEO-UHFFFAOYSA-N 1 0 390.531 -0.360 20 0 GBADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000642335144 530464728 /nfs/dbraw/zinc/46/47/28/530464728.db2.gz LNYLLLRLZUIJGV-UHFFFAOYSA-N 1 0 390.531 -0.360 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC[NH2+]C1CC1 ZINC000642547296 530107197 /nfs/dbraw/zinc/10/71/97/530107197.db2.gz VEHMPCONXDZGGT-UHFFFAOYSA-N 1 0 388.877 -0.397 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)s1 ZINC000642640514 530133582 /nfs/dbraw/zinc/13/35/82/530133582.db2.gz QNCTXDJLQHTTCV-GFCCVEGCSA-N 1 0 388.515 -0.291 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)s1 ZINC000642640515 530133848 /nfs/dbraw/zinc/13/38/48/530133848.db2.gz QNCTXDJLQHTTCV-LBPRGKRZSA-N 1 0 388.515 -0.291 20 0 GBADRO CC1([NH3+])CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000642694858 1072163156 /nfs/dbraw/zinc/16/31/56/1072163156.db2.gz QIKMJFSRVYHXKY-UHFFFAOYSA-N 1 0 387.484 -0.209 20 0 GBADRO O=C(NCCOCC1CCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000642704127 1072226658 /nfs/dbraw/zinc/22/66/58/1072226658.db2.gz CPQLHPCFTVPLLG-INIZCTEOSA-N 1 0 380.489 -0.410 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)CCO1 ZINC000642707984 1072262919 /nfs/dbraw/zinc/26/29/19/1072262919.db2.gz BDYDZUNRJWJYOK-YJBOKZPZSA-N 1 0 390.484 -0.290 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC[NH2+]1 ZINC000642708041 1072263180 /nfs/dbraw/zinc/26/31/80/1072263180.db2.gz RGXDRVROJYGFHH-MRXNPFEDSA-N 1 0 375.473 -0.009 20 0 GBADRO COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(C)CC2)cc1 ZINC000642729872 1072319572 /nfs/dbraw/zinc/31/95/72/1072319572.db2.gz LLDHZOUGKGLUGR-BBRMVZONSA-N 1 0 383.470 -0.407 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000642735277 1072327152 /nfs/dbraw/zinc/32/71/52/1072327152.db2.gz TVLONXIJDVGBRH-OAHLLOKOSA-N 1 0 382.486 -0.333 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC[NH2+]1 ZINC000642741208 1072330702 /nfs/dbraw/zinc/33/07/02/1072330702.db2.gz UFMPFNHFKCTEEA-MRXNPFEDSA-N 1 0 375.473 -0.345 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000642744069 1072332951 /nfs/dbraw/zinc/33/29/51/1072332951.db2.gz XMJPDLKDBDUGMS-JYJNAYRXSA-N 1 0 382.505 -0.120 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000642744070 1072332690 /nfs/dbraw/zinc/33/26/90/1072332690.db2.gz XMJPDLKDBDUGMS-OAGGEKHMSA-N 1 0 382.505 -0.120 20 0 GBADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000642744071 1072332917 /nfs/dbraw/zinc/33/29/17/1072332917.db2.gz XMJPDLKDBDUGMS-PMPSAXMXSA-N 1 0 382.505 -0.120 20 0 GBADRO COc1ccc(COCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000642773278 1072384820 /nfs/dbraw/zinc/38/48/20/1072384820.db2.gz IEZZHKJZCRIVIY-INIZCTEOSA-N 1 0 378.473 -0.181 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000642785913 1072444132 /nfs/dbraw/zinc/44/41/32/1072444132.db2.gz QBXLFUPTENSTDI-HZPDHXFCSA-N 1 0 377.489 -0.990 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H](C)[NH3+])s1 ZINC000642785952 530085178 /nfs/dbraw/zinc/08/51/78/530085178.db2.gz TTXBHHZQLUUWJV-LLVKDONJSA-N 1 0 390.531 -0.099 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@H](C)[NH3+])s1 ZINC000642785953 530084993 /nfs/dbraw/zinc/08/49/93/530084993.db2.gz TTXBHHZQLUUWJV-NSHDSACASA-N 1 0 390.531 -0.099 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2=O)n1 ZINC000642786842 1072448287 /nfs/dbraw/zinc/44/82/87/1072448287.db2.gz ZZPFNXMBHLYXCE-XGUBFFRZSA-N 1 0 388.472 -0.383 20 0 GBADRO O=C(CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)N1CC[NH2+]CC1 ZINC000642794781 1072509599 /nfs/dbraw/zinc/50/95/99/1072509599.db2.gz KCGIGKPJFHKWNP-ZDUSSCGKSA-N 1 0 395.410 -0.792 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000642794857 1072510373 /nfs/dbraw/zinc/51/03/73/1072510373.db2.gz ONDCSJVQFDZHPC-AWEZNQCLSA-N 1 0 381.427 -0.319 20 0 GBADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000642794858 1072509905 /nfs/dbraw/zinc/50/99/05/1072509905.db2.gz ONDCSJVQFDZHPC-CQSZACIVSA-N 1 0 381.427 -0.319 20 0 GBADRO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000642794961 1072509805 /nfs/dbraw/zinc/50/98/05/1072509805.db2.gz YKTNROMRUMKLCN-ZIAGYGMSSA-N 1 0 381.427 -0.239 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642797411 1072523603 /nfs/dbraw/zinc/52/36/03/1072523603.db2.gz KFNNYIXDEGGYCZ-GRDNDAEWSA-N 1 0 376.457 -0.035 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642797412 1072523513 /nfs/dbraw/zinc/52/35/13/1072523513.db2.gz KFNNYIXDEGGYCZ-JKIFEVAISA-N 1 0 376.457 -0.035 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642797413 1072523485 /nfs/dbraw/zinc/52/34/85/1072523485.db2.gz KFNNYIXDEGGYCZ-KEYYUXOJSA-N 1 0 376.457 -0.035 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000642806744 1072598369 /nfs/dbraw/zinc/59/83/69/1072598369.db2.gz QWFZKCKNVPPEHJ-JLTOFOAXSA-N 1 0 387.484 -0.014 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000642806745 1072598328 /nfs/dbraw/zinc/59/83/28/1072598328.db2.gz QWFZKCKNVPPEHJ-VBKZILBWSA-N 1 0 387.484 -0.014 20 0 GBADRO CC[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C(=O)N1CCOCC1 ZINC000642808188 1072618794 /nfs/dbraw/zinc/61/87/94/1072618794.db2.gz FGENGUQANOCWIZ-HNNXBMFYSA-N 1 0 380.489 -0.268 20 0 GBADRO CC[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C(=O)N1CCOCC1 ZINC000642808189 1072618983 /nfs/dbraw/zinc/61/89/83/1072618983.db2.gz FGENGUQANOCWIZ-OAHLLOKOSA-N 1 0 380.489 -0.268 20 0 GBADRO C[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000642841387 1072215405 /nfs/dbraw/zinc/21/54/05/1072215405.db2.gz QRVXXKAFDVFCOP-GJZGRUSLSA-N 1 0 378.481 -0.210 20 0 GBADRO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642899420 1072363930 /nfs/dbraw/zinc/36/39/30/1072363930.db2.gz KBFWMALNGFVMIR-MRXNPFEDSA-N 1 0 387.484 -0.208 20 0 GBADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000642899806 530105410 /nfs/dbraw/zinc/10/54/10/530105410.db2.gz KVZPEELYBLNMNA-UHFFFAOYSA-N 1 0 387.234 -0.452 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642905558 1072379359 /nfs/dbraw/zinc/37/93/59/1072379359.db2.gz PDJGMNCCRJAUNA-HOTGVXAUSA-N 1 0 379.505 -0.600 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1)N1CCCCCC1 ZINC000642905616 1072378562 /nfs/dbraw/zinc/37/85/62/1072378562.db2.gz QMWSUZZQCKDWDM-QGZVFWFLSA-N 1 0 393.532 -0.209 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000642905969 1072378805 /nfs/dbraw/zinc/37/88/05/1072378805.db2.gz XMLCTUDHPJLNMJ-HNNXBMFYSA-N 1 0 396.513 -0.010 20 0 GBADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000642907289 1072383584 /nfs/dbraw/zinc/38/35/84/1072383584.db2.gz PCYGYTIHQUPADO-UHFFFAOYSA-N 1 0 393.532 -0.081 20 0 GBADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642907607 1072384701 /nfs/dbraw/zinc/38/47/01/1072384701.db2.gz CVCASLGIGQXLID-OAHLLOKOSA-N 1 0 375.473 -0.150 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000642909180 1072385568 /nfs/dbraw/zinc/38/55/68/1072385568.db2.gz HZNKZOAIJGNJGL-DGCLKSJQSA-N 1 0 386.449 -0.442 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)[NH3+])C2=O)c1 ZINC000642909810 1072386634 /nfs/dbraw/zinc/38/66/34/1072386634.db2.gz UWUCFESWOGRQCV-ABAIWWIYSA-N 1 0 378.429 -0.269 20 0 GBADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)[NH3+])C2=O)c1 ZINC000642909812 1072386643 /nfs/dbraw/zinc/38/66/43/1072386643.db2.gz UWUCFESWOGRQCV-NHYWBVRUSA-N 1 0 378.429 -0.269 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000642909899 1072386795 /nfs/dbraw/zinc/38/67/95/1072386795.db2.gz WTZLGBPYUVTHDX-SNVBAGLBSA-N 1 0 390.412 -0.739 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000642910073 530106770 /nfs/dbraw/zinc/10/67/70/530106770.db2.gz ZIEHNIZKJOKWPD-LLVKDONJSA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000642910074 530106727 /nfs/dbraw/zinc/10/67/27/530106727.db2.gz ZIEHNIZKJOKWPD-NSHDSACASA-N 1 0 388.877 -0.364 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000642910406 1072387442 /nfs/dbraw/zinc/38/74/42/1072387442.db2.gz FUSDSQCKGDYCLL-CHWSQXEVSA-N 1 0 379.436 -0.240 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000642910778 1072387185 /nfs/dbraw/zinc/38/71/85/1072387185.db2.gz NRRYJOMNPVIPPE-GFCCVEGCSA-N 1 0 386.449 -0.488 20 0 GBADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000642910779 1072387129 /nfs/dbraw/zinc/38/71/29/1072387129.db2.gz NRRYJOMNPVIPPE-LBPRGKRZSA-N 1 0 386.449 -0.488 20 0 GBADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000642910780 1072387564 /nfs/dbraw/zinc/38/75/64/1072387564.db2.gz NTJZCUZTYLMRPM-CYBMUJFWSA-N 1 0 389.522 -0.897 20 0 GBADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000642910781 1072387644 /nfs/dbraw/zinc/38/76/44/1072387644.db2.gz NTJZCUZTYLMRPM-ZDUSSCGKSA-N 1 0 389.522 -0.897 20 0 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380.489 -0.045 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC12CCCCC2 ZINC000643545588 1072140456 /nfs/dbraw/zinc/14/04/56/1072140456.db2.gz LXPXTBOYFYPCCE-GOEBONIOSA-N 1 0 380.489 -0.045 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC12CCCCC2 ZINC000643545589 1073611556 /nfs/dbraw/zinc/61/15/56/1073611556.db2.gz LXPXTBOYFYPCCE-HOCLYGCPSA-N 1 0 380.489 -0.045 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC12CCCCC2 ZINC000643545590 1072140572 /nfs/dbraw/zinc/14/05/72/1072140572.db2.gz LXPXTBOYFYPCCE-ZBFHGGJFSA-N 1 0 380.489 -0.045 20 0 GBADRO COCCN1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1=O ZINC000643545665 1072140647 /nfs/dbraw/zinc/14/06/47/1072140647.db2.gz ZRUZZDCXKXVJAX-SJORKVTESA-N 1 0 394.516 -0.068 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC[C@@H]1[NH3+] ZINC000643549253 1073611478 /nfs/dbraw/zinc/61/14/78/1073611478.db2.gz IJXAKHJSGKNFCX-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO 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/nfs/dbraw/zinc/28/26/78/530282678.db2.gz ORYSTWQKULJTHO-MRXNPFEDSA-N 1 0 377.507 -0.056 20 0 GBADRO Cc1c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)coc1C(=O)N(C)C ZINC000645472134 1073315740 /nfs/dbraw/zinc/31/57/40/1073315740.db2.gz FICDGYPDOULKQY-UHFFFAOYSA-N 1 0 386.474 -0.316 20 0 GBADRO CO[C@@H](CS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1CCOCC1 ZINC000645472779 530285392 /nfs/dbraw/zinc/28/53/92/530285392.db2.gz KWHCLYHHBRNTBN-HNNXBMFYSA-N 1 0 377.507 -0.536 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C1CCOCC1 ZINC000645472782 530285109 /nfs/dbraw/zinc/28/51/09/530285109.db2.gz KWHCLYHHBRNTBN-OAHLLOKOSA-N 1 0 377.507 -0.536 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645473931 530285222 /nfs/dbraw/zinc/28/52/22/530285222.db2.gz CXXPNDBBRWEHPO-UHFFFAOYSA-N 1 0 377.511 -0.675 20 0 GBADRO CN(C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000645556172 1073813019 /nfs/dbraw/zinc/81/30/19/1073813019.db2.gz IJKXKVGROBJXBH-AWEZNQCLSA-N 1 0 392.441 -0.302 20 0 GBADRO CN(C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000645556173 1073812661 /nfs/dbraw/zinc/81/26/61/1073812661.db2.gz IJKXKVGROBJXBH-CQSZACIVSA-N 1 0 392.441 -0.302 20 0 GBADRO Cc1c(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)coc1C(=O)N(C)C ZINC000645557207 1073840311 /nfs/dbraw/zinc/84/03/11/1073840311.db2.gz OPRKWZXTTOKNJS-UHFFFAOYSA-N 1 0 391.490 -0.149 20 0 GBADRO COc1cc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)ccc1OCC(N)=O ZINC000645559825 1073840228 /nfs/dbraw/zinc/84/02/28/1073840228.db2.gz PVAPFEQBNXITDE-CYBMUJFWSA-N 1 0 378.429 -0.566 20 0 GBADRO Cn1nnc2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc21 ZINC000645609134 1073858263 /nfs/dbraw/zinc/85/82/63/1073858263.db2.gz AGOFBMAKRCLMAU-INIZCTEOSA-N 1 0 392.485 -0.105 20 0 GBADRO Cn1nnc2cc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)ccc21 ZINC000645609135 1073858489 /nfs/dbraw/zinc/85/84/89/1073858489.db2.gz AGOFBMAKRCLMAU-MRXNPFEDSA-N 1 0 392.485 -0.105 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H]3C[N@H+](C)C[C@@H]31)CC2 ZINC000645617358 1073858753 /nfs/dbraw/zinc/85/87/53/1073858753.db2.gz GBQLVMOTWHOQKO-CJNGLKHVSA-N 1 0 392.481 -0.354 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000645617747 1073858593 /nfs/dbraw/zinc/85/85/93/1073858593.db2.gz CWUQSJJODSLRPQ-UKRRQHHQSA-N 1 0 387.440 -0.737 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1F ZINC000645619326 1073858386 /nfs/dbraw/zinc/85/83/86/1073858386.db2.gz NMVSKORSBJBSLY-GWCFXTLKSA-N 1 0 384.433 -0.165 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1S(N)(=O)=O ZINC000645626274 1073859585 /nfs/dbraw/zinc/85/95/85/1073859585.db2.gz QFEKUIGMSOAQMK-JSGCOSHPSA-N 1 0 380.470 -0.003 20 0 GBADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699300 530331377 /nfs/dbraw/zinc/33/13/77/530331377.db2.gz XJGHJQATAHHNHQ-BBRMVZONSA-N 1 0 376.523 -0.788 20 0 GBADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699302 530331599 /nfs/dbraw/zinc/33/15/99/530331599.db2.gz XJGHJQATAHHNHQ-CJNGLKHVSA-N 1 0 376.523 -0.788 20 0 GBADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699306 530331411 /nfs/dbraw/zinc/33/14/11/530331411.db2.gz XJGHJQATAHHNHQ-CZUORRHYSA-N 1 0 376.523 -0.788 20 0 GBADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000645699307 530331314 /nfs/dbraw/zinc/33/13/14/530331314.db2.gz XJGHJQATAHHNHQ-XJKSGUPXSA-N 1 0 376.523 -0.788 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000645834455 530387429 /nfs/dbraw/zinc/38/74/29/530387429.db2.gz NZJPKJMLQJYGKS-GFCCVEGCSA-N 1 0 389.499 -0.169 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000645834456 530387205 /nfs/dbraw/zinc/38/72/05/530387205.db2.gz NZJPKJMLQJYGKS-LBPRGKRZSA-N 1 0 389.499 -0.169 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000645834552 530387376 /nfs/dbraw/zinc/38/73/76/530387376.db2.gz RZAGFHYLGDCSHM-LLVKDONJSA-N 1 0 390.487 -0.926 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000645834553 530387445 /nfs/dbraw/zinc/38/74/45/530387445.db2.gz RZAGFHYLGDCSHM-NSHDSACASA-N 1 0 390.487 -0.926 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000645834564 530387423 /nfs/dbraw/zinc/38/74/23/530387423.db2.gz SIGDZINUTKKCAT-LLVKDONJSA-N 1 0 390.487 -0.926 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000645834565 530387406 /nfs/dbraw/zinc/38/74/06/530387406.db2.gz SIGDZINUTKKCAT-NSHDSACASA-N 1 0 390.487 -0.926 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000645834637 530387235 /nfs/dbraw/zinc/38/72/35/530387235.db2.gz VZIOSQYREMJEEM-GFCCVEGCSA-N 1 0 389.499 -0.169 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000645834638 530387331 /nfs/dbraw/zinc/38/73/31/530387331.db2.gz VZIOSQYREMJEEM-LBPRGKRZSA-N 1 0 389.499 -0.169 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000645834947 530387275 /nfs/dbraw/zinc/38/72/75/530387275.db2.gz AYGVVUPWIIDCMF-LLVKDONJSA-N 1 0 390.487 -0.774 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000645834948 530387403 /nfs/dbraw/zinc/38/74/03/530387403.db2.gz AYGVVUPWIIDCMF-NSHDSACASA-N 1 0 390.487 -0.774 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000645835229 530387212 /nfs/dbraw/zinc/38/72/12/530387212.db2.gz LNXPIDXLSSZNSW-GFCCVEGCSA-N 1 0 381.520 -0.807 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000645835230 530387440 /nfs/dbraw/zinc/38/74/40/530387440.db2.gz LNXPIDXLSSZNSW-LBPRGKRZSA-N 1 0 381.520 -0.807 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)s1 ZINC000645835740 530387799 /nfs/dbraw/zinc/38/77/99/530387799.db2.gz XVWDOBSEGMZAAI-SECBINFHSA-N 1 0 375.476 -0.158 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)s1 ZINC000645835743 530387788 /nfs/dbraw/zinc/38/77/88/530387788.db2.gz XVWDOBSEGMZAAI-VIFPVBQESA-N 1 0 375.476 -0.158 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000645836101 530387772 /nfs/dbraw/zinc/38/77/72/530387772.db2.gz FYIVHSASRBOGJL-GFCCVEGCSA-N 1 0 383.536 -0.419 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000645836102 530387831 /nfs/dbraw/zinc/38/78/31/530387831.db2.gz FYIVHSASRBOGJL-LBPRGKRZSA-N 1 0 383.536 -0.419 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000645836277 530387856 /nfs/dbraw/zinc/38/78/56/530387856.db2.gz LRQMVKCHHBNJNU-CHWSQXEVSA-N 1 0 381.520 -0.807 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000645836278 530387556 /nfs/dbraw/zinc/38/75/56/530387556.db2.gz LRQMVKCHHBNJNU-OLZOCXBDSA-N 1 0 381.520 -0.807 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000645836279 530387775 /nfs/dbraw/zinc/38/77/75/530387775.db2.gz LRQMVKCHHBNJNU-QWHCGFSZSA-N 1 0 381.520 -0.807 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000645836280 530387797 /nfs/dbraw/zinc/38/77/97/530387797.db2.gz LRQMVKCHHBNJNU-STQMWFEESA-N 1 0 381.520 -0.807 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C1CCOCC1 ZINC000645836692 530387672 /nfs/dbraw/zinc/38/76/72/530387672.db2.gz YUYZUXLTAKDGAG-DZGCQCFKSA-N 1 0 377.507 -0.190 20 0 GBADRO CO[C@@H](CS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C1CCOCC1 ZINC000645836693 530387614 /nfs/dbraw/zinc/38/76/14/530387614.db2.gz YUYZUXLTAKDGAG-HIFRSBDPSA-N 1 0 377.507 -0.190 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C1CCOCC1 ZINC000645836694 530387667 /nfs/dbraw/zinc/38/76/67/530387667.db2.gz YUYZUXLTAKDGAG-UKRRQHHQSA-N 1 0 377.507 -0.190 20 0 GBADRO CO[C@@H](CS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C1CCOCC1 ZINC000645836695 530387810 /nfs/dbraw/zinc/38/78/10/530387810.db2.gz YUYZUXLTAKDGAG-ZFWWWQNUSA-N 1 0 377.507 -0.190 20 0 GBADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000645855463 530392386 /nfs/dbraw/zinc/39/23/86/530392386.db2.gz CVUJILXBYSEGTL-UHFFFAOYSA-N 1 0 389.499 -0.181 20 0 GBADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccc(S(N)(=O)=O)c1)CCO2 ZINC000645855482 530392782 /nfs/dbraw/zinc/39/27/82/530392782.db2.gz DQHGRIKEGPOIRX-UHFFFAOYSA-N 1 0 389.499 -0.181 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645856458 530393400 /nfs/dbraw/zinc/39/34/00/530393400.db2.gz FHLCMWDQAJEGGV-UHFFFAOYSA-N 1 0 383.536 -0.606 20 0 GBADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CCO2 ZINC000645856542 530393282 /nfs/dbraw/zinc/39/32/82/530393282.db2.gz JCIDIEXGXOAHDV-UHFFFAOYSA-N 1 0 389.499 -0.030 20 0 GBADRO COCCOCCOCCS(=O)(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645856589 530393372 /nfs/dbraw/zinc/39/33/72/530393372.db2.gz LOBQCGBQJZEPNV-UHFFFAOYSA-N 1 0 380.507 -0.208 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000646082501 530420683 /nfs/dbraw/zinc/42/06/83/530420683.db2.gz ZIRRUAWITXXHOH-HNNXBMFYSA-N 1 0 377.507 -0.344 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000646082502 530420516 /nfs/dbraw/zinc/42/05/16/530420516.db2.gz ZIRRUAWITXXHOH-OAHLLOKOSA-N 1 0 377.507 -0.344 20 0 GBADRO CN(CCCNC(=O)CN1CCOC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000646104691 530422175 /nfs/dbraw/zinc/42/21/75/530422175.db2.gz SYAZFOHZWQUWJO-UHFFFAOYSA-N 1 0 376.523 -0.819 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000646189240 530429337 /nfs/dbraw/zinc/42/93/37/530429337.db2.gz XMJVAYBNKRZQOV-CHWSQXEVSA-N 1 0 377.511 -0.547 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000646189241 530429222 /nfs/dbraw/zinc/42/92/22/530429222.db2.gz XMJVAYBNKRZQOV-OLZOCXBDSA-N 1 0 377.511 -0.547 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000646189242 530429256 /nfs/dbraw/zinc/42/92/56/530429256.db2.gz XMJVAYBNKRZQOV-QWHCGFSZSA-N 1 0 377.511 -0.547 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000646189243 530429177 /nfs/dbraw/zinc/42/91/77/530429177.db2.gz XMJVAYBNKRZQOV-STQMWFEESA-N 1 0 377.511 -0.547 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000646316679 530438077 /nfs/dbraw/zinc/43/80/77/530438077.db2.gz IDVBPQQXAKWXAB-AWEZNQCLSA-N 1 0 377.507 -0.346 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000646316680 530438307 /nfs/dbraw/zinc/43/83/07/530438307.db2.gz IDVBPQQXAKWXAB-CQSZACIVSA-N 1 0 377.507 -0.346 20 0 GBADRO CC(C)C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646416617 530445818 /nfs/dbraw/zinc/44/58/18/530445818.db2.gz BUGDRRHWAUMGEI-KBPBESRZSA-N 1 0 376.523 -0.429 20 0 GBADRO CC(C)C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646416618 530445660 /nfs/dbraw/zinc/44/56/60/530445660.db2.gz BUGDRRHWAUMGEI-KGLIPLIRSA-N 1 0 376.523 -0.429 20 0 GBADRO CC(C)C[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646416969 530445721 /nfs/dbraw/zinc/44/57/21/530445721.db2.gz QFPIGSZAKFRTIM-KBPBESRZSA-N 1 0 376.523 -0.429 20 0 GBADRO CC(C)C[C@H](NC(=O)CS(=O)(=O)N(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646416970 530445877 /nfs/dbraw/zinc/44/58/77/530445877.db2.gz QFPIGSZAKFRTIM-KGLIPLIRSA-N 1 0 376.523 -0.429 20 0 GBADRO CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@H](C[NH3+])C1 ZINC000646833800 530462322 /nfs/dbraw/zinc/46/23/22/530462322.db2.gz ZNEFZOHKZYAUCM-GFCCVEGCSA-N 1 0 387.531 -0.533 20 0 GBADRO CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@@H](C[NH3+])C1 ZINC000646833801 530462140 /nfs/dbraw/zinc/46/21/40/530462140.db2.gz ZNEFZOHKZYAUCM-LBPRGKRZSA-N 1 0 387.531 -0.533 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCO1 ZINC000646848783 530462735 /nfs/dbraw/zinc/46/27/35/530462735.db2.gz XYNDZSPCYCNIIX-BXUZGUMPSA-N 1 0 388.515 -0.060 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCO1 ZINC000646848784 530462611 /nfs/dbraw/zinc/46/26/11/530462611.db2.gz XYNDZSPCYCNIIX-FZMZJTMJSA-N 1 0 388.515 -0.060 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCO1 ZINC000646848785 530462775 /nfs/dbraw/zinc/46/27/75/530462775.db2.gz XYNDZSPCYCNIIX-RISCZKNCSA-N 1 0 388.515 -0.060 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCO1 ZINC000646848786 530462711 /nfs/dbraw/zinc/46/27/11/530462711.db2.gz XYNDZSPCYCNIIX-SMDDNHRTSA-N 1 0 388.515 -0.060 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000646850431 530462654 /nfs/dbraw/zinc/46/26/54/530462654.db2.gz BFWQMTIEMNJPNZ-NEPJUHHUSA-N 1 0 389.499 -0.043 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000646850432 530462602 /nfs/dbraw/zinc/46/26/02/530462602.db2.gz BFWQMTIEMNJPNZ-NWDGAFQWSA-N 1 0 389.499 -0.043 20 0 GBADRO 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CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000647076091 1072323336 /nfs/dbraw/zinc/32/33/36/1072323336.db2.gz FIKVRKKQJDRGGB-AWEZNQCLSA-N 1 0 388.534 -0.283 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000647076092 1072323241 /nfs/dbraw/zinc/32/32/41/1072323241.db2.gz FIKVRKKQJDRGGB-CQSZACIVSA-N 1 0 388.534 -0.283 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000647076101 1072323616 /nfs/dbraw/zinc/32/36/16/1072323616.db2.gz HKCILSDJFFFGPH-UHFFFAOYSA-N 1 0 386.518 -0.529 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000647078915 1072322865 /nfs/dbraw/zinc/32/28/65/1072322865.db2.gz GRUMDRFYZNKPDW-UHFFFAOYSA-N 1 0 379.442 -0.556 20 0 GBADRO CCCN(C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647078957 1072324059 /nfs/dbraw/zinc/32/40/59/1072324059.db2.gz LAGGDTAGONKKSR-KRWDZBQOSA-N 1 0 396.532 -0.073 20 0 GBADRO CCCN(C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647078958 1072324356 /nfs/dbraw/zinc/32/43/56/1072324356.db2.gz LAGGDTAGONKKSR-QGZVFWFLSA-N 1 0 396.532 -0.073 20 0 GBADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000647080127 1072324719 /nfs/dbraw/zinc/32/47/19/1072324719.db2.gz IJTFOWIDRANFDW-CVEARBPZSA-N 1 0 396.513 -0.223 20 0 GBADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000647081981 530081921 /nfs/dbraw/zinc/08/19/21/530081921.db2.gz MBCRNZJSFKQGIR-UHFFFAOYSA-N 1 0 376.523 -0.187 20 0 GBADRO COCCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000647091817 1072324446 /nfs/dbraw/zinc/32/44/46/1072324446.db2.gz OQPZHMFHBYSMRP-BMFZPTHFSA-N 1 0 393.488 -0.772 20 0 GBADRO COCCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1=O ZINC000647091818 1072324012 /nfs/dbraw/zinc/32/40/12/1072324012.db2.gz OQPZHMFHBYSMRP-FVQBIDKESA-N 1 0 393.488 -0.772 20 0 GBADRO [NH3+]CC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000647095096 530082211 /nfs/dbraw/zinc/08/22/11/530082211.db2.gz YUJWIYKBDVGKPU-UHFFFAOYSA-N 1 0 377.413 -0.055 20 0 GBADRO CO[C@@H](CS(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(C)C ZINC000647128029 530086005 /nfs/dbraw/zinc/08/60/05/530086005.db2.gz MYZSUJQBDZMTKW-AWEZNQCLSA-N 1 0 375.495 -0.026 20 0 GBADRO CO[C@H](CS(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(C)C ZINC000647128030 530086041 /nfs/dbraw/zinc/08/60/41/530086041.db2.gz MYZSUJQBDZMTKW-CQSZACIVSA-N 1 0 375.495 -0.026 20 0 GBADRO Cn1nnc2c1ncn(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)c2=O ZINC000647136261 1072507734 /nfs/dbraw/zinc/50/77/34/1072507734.db2.gz BRVYXMCWCVYZNG-UHFFFAOYSA-N 1 0 389.460 -0.324 20 0 GBADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179514 530094893 /nfs/dbraw/zinc/09/48/93/530094893.db2.gz BUKHESKROHWHAK-UHFFFAOYSA-N 1 0 394.494 -0.860 20 0 GBADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c(F)c1 ZINC000647183865 1072177605 /nfs/dbraw/zinc/17/76/05/1072177605.db2.gz QEFLBKHQKZBVQC-HNNXBMFYSA-N 1 0 386.493 -0.031 20 0 GBADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000647187132 530095363 /nfs/dbraw/zinc/09/53/63/530095363.db2.gz DMFZLCUARPVTFP-CYBMUJFWSA-N 1 0 379.504 -0.104 20 0 GBADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000647187133 530095189 /nfs/dbraw/zinc/09/51/89/530095189.db2.gz DMFZLCUARPVTFP-ZDUSSCGKSA-N 1 0 379.504 -0.104 20 0 GBADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000647196649 530095691 /nfs/dbraw/zinc/09/56/91/530095691.db2.gz IMVAPZRKRRQCHT-LLVKDONJSA-N 1 0 388.515 -0.003 20 0 GBADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000647196650 530095794 /nfs/dbraw/zinc/09/57/94/530095794.db2.gz IMVAPZRKRRQCHT-NSHDSACASA-N 1 0 388.515 -0.003 20 0 GBADRO O=C(CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)N1CC[NH2+]CC1 ZINC000647198195 1072196210 /nfs/dbraw/zinc/19/62/10/1072196210.db2.gz KUCOTPJVWVMTGI-HNNXBMFYSA-N 1 0 386.518 -0.481 20 0 GBADRO CCC(=O)NCc1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000647198258 1072196321 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394.494 -0.167 20 0 GBADRO Cc1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647217884 530099184 /nfs/dbraw/zinc/09/91/84/530099184.db2.gz KXFZQNXRZHDKBT-UHFFFAOYSA-N 1 0 375.472 -0.734 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 ZINC000647233811 530102751 /nfs/dbraw/zinc/10/27/51/530102751.db2.gz FHQUFWBWODEWQY-ABAIWWIYSA-N 1 0 389.499 -0.136 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 ZINC000647233812 530102541 /nfs/dbraw/zinc/10/25/41/530102541.db2.gz FHQUFWBWODEWQY-IAQYHMDHSA-N 1 0 389.499 -0.136 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 ZINC000647233813 530102710 /nfs/dbraw/zinc/10/27/10/530102710.db2.gz FHQUFWBWODEWQY-NHYWBVRUSA-N 1 0 389.499 -0.136 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 ZINC000647233814 530102565 /nfs/dbraw/zinc/10/25/65/530102565.db2.gz FHQUFWBWODEWQY-XHDPSFHLSA-N 1 0 389.499 -0.136 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCO1 ZINC000647233835 530102716 /nfs/dbraw/zinc/10/27/16/530102716.db2.gz FSDMMMSAXAWKRV-NOZJJQNGSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCO1 ZINC000647233836 530102706 /nfs/dbraw/zinc/10/27/06/530102706.db2.gz FSDMMMSAXAWKRV-RNCFNFMXSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCO1 ZINC000647233837 530102680 /nfs/dbraw/zinc/10/26/80/530102680.db2.gz FSDMMMSAXAWKRV-TVQRCGJNSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCO1 ZINC000647233838 530102549 /nfs/dbraw/zinc/10/25/49/530102549.db2.gz FSDMMMSAXAWKRV-ZANVPECISA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CCO1 ZINC000647233923 530102719 /nfs/dbraw/zinc/10/27/19/530102719.db2.gz HKXNSPIDYRWQLQ-BXKDBHETSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CCO1 ZINC000647233924 530102733 /nfs/dbraw/zinc/10/27/33/530102733.db2.gz HKXNSPIDYRWQLQ-CABZTGNLSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CCO1 ZINC000647233925 530102655 /nfs/dbraw/zinc/10/26/55/530102655.db2.gz HKXNSPIDYRWQLQ-JOYOIKCWSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CCO1 ZINC000647233926 530102585 /nfs/dbraw/zinc/10/25/85/530102585.db2.gz HKXNSPIDYRWQLQ-SKDRFNHKSA-N 1 0 381.451 -0.066 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000647234037 530102747 /nfs/dbraw/zinc/10/27/47/530102747.db2.gz JPHFKZXHOFEDMD-BXUZGUMPSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000647234038 530102536 /nfs/dbraw/zinc/10/25/36/530102536.db2.gz JPHFKZXHOFEDMD-FZMZJTMJSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000647234039 530102714 /nfs/dbraw/zinc/10/27/14/530102714.db2.gz JPHFKZXHOFEDMD-RISCZKNCSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCO1 ZINC000647234040 530102579 /nfs/dbraw/zinc/10/25/79/530102579.db2.gz JPHFKZXHOFEDMD-SMDDNHRTSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000647234193 530102568 /nfs/dbraw/zinc/10/25/68/530102568.db2.gz MZUSENQDBPQHQE-BXUZGUMPSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000647234194 530102702 /nfs/dbraw/zinc/10/27/02/530102702.db2.gz MZUSENQDBPQHQE-FZMZJTMJSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000647234195 530102608 /nfs/dbraw/zinc/10/26/08/530102608.db2.gz MZUSENQDBPQHQE-RISCZKNCSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000647234196 530102724 /nfs/dbraw/zinc/10/27/24/530102724.db2.gz MZUSENQDBPQHQE-SMDDNHRTSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCO1 ZINC000647234377 530102575 /nfs/dbraw/zinc/10/25/75/530102575.db2.gz QQXGBXUGTQHBLB-BXKDBHETSA-N 1 0 377.850 -0.059 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCO1 ZINC000647234378 530102631 /nfs/dbraw/zinc/10/26/31/530102631.db2.gz QQXGBXUGTQHBLB-CABZTGNLSA-N 1 0 377.850 -0.059 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCO1 ZINC000647234379 530102589 /nfs/dbraw/zinc/10/25/89/530102589.db2.gz QQXGBXUGTQHBLB-JOYOIKCWSA-N 1 0 377.850 -0.059 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCO1 ZINC000647234397 530102744 /nfs/dbraw/zinc/10/27/44/530102744.db2.gz QQXGBXUGTQHBLB-SKDRFNHKSA-N 1 0 377.850 -0.059 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1C 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VXQVQDYAKHKLFI-NHYWBVRUSA-N 1 0 389.499 -0.136 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCO1 ZINC000647234619 530102552 /nfs/dbraw/zinc/10/25/52/530102552.db2.gz VXQVQDYAKHKLFI-XHDPSFHLSA-N 1 0 389.499 -0.136 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647235197 530103060 /nfs/dbraw/zinc/10/30/60/530103060.db2.gz RGJOGLSPELQEEG-GWCFXTLKSA-N 1 0 378.472 -0.165 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647235198 530103110 /nfs/dbraw/zinc/10/31/10/530103110.db2.gz RGJOGLSPELQEEG-GXFFZTMASA-N 1 0 378.472 -0.165 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647235199 530103026 /nfs/dbraw/zinc/10/30/26/530103026.db2.gz RGJOGLSPELQEEG-MFKMUULPSA-N 1 0 378.472 -0.165 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647235200 530103171 /nfs/dbraw/zinc/10/31/71/530103171.db2.gz RGJOGLSPELQEEG-ZWNOBZJWSA-N 1 0 378.472 -0.165 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000647235225 530102987 /nfs/dbraw/zinc/10/29/87/530102987.db2.gz SAFYEPBREDFCRO-NEPJUHHUSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000647235226 530103117 /nfs/dbraw/zinc/10/31/17/530103117.db2.gz SAFYEPBREDFCRO-NWDGAFQWSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000647235227 530103041 /nfs/dbraw/zinc/10/30/41/530103041.db2.gz SAFYEPBREDFCRO-RYUDHWBXSA-N 1 0 377.488 -0.326 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000647235228 530103168 /nfs/dbraw/zinc/10/31/68/530103168.db2.gz SAFYEPBREDFCRO-VXGBXAGGSA-N 1 0 377.488 -0.326 20 0 GBADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000647271652 530108327 /nfs/dbraw/zinc/10/83/27/530108327.db2.gz AUCHPHHQYGVZBH-TXEJJXNPSA-N 1 0 375.472 -0.525 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647272567 530108440 /nfs/dbraw/zinc/10/84/40/530108440.db2.gz XYPAGTHKVVROBC-BETUJISGSA-N 1 0 389.499 -0.216 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000647273357 530108157 /nfs/dbraw/zinc/10/81/57/530108157.db2.gz MFHQAAQFMVIFPH-GFCCVEGCSA-N 1 0 377.488 -0.359 20 0 GBADRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000647273360 530108279 /nfs/dbraw/zinc/10/82/79/530108279.db2.gz MFHQAAQFMVIFPH-LBPRGKRZSA-N 1 0 377.488 -0.359 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647299613 530110505 /nfs/dbraw/zinc/11/05/05/530110505.db2.gz WJEIPWDZACSJRZ-UHFFFAOYSA-N 1 0 389.499 -0.392 20 0 GBADRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647300055 530110689 /nfs/dbraw/zinc/11/06/89/530110689.db2.gz QEQNPBJFXQEJAM-UHFFFAOYSA-N 1 0 375.472 -0.700 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647304995 1072498093 /nfs/dbraw/zinc/49/80/93/1072498093.db2.gz KKYKILJMBWMFBY-STQMWFEESA-N 1 0 399.444 -0.081 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cnc21 ZINC000647309673 1072503625 /nfs/dbraw/zinc/50/36/25/1072503625.db2.gz CLJDALZTRXCGGB-PHIMTYICSA-N 1 0 379.442 -0.346 20 0 GBADRO COCCOCCOCCS(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647320195 530112487 /nfs/dbraw/zinc/11/24/87/530112487.db2.gz GCBKDJHMLNOKBN-CVEARBPZSA-N 1 0 380.507 -0.176 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647320406 530112288 /nfs/dbraw/zinc/11/22/88/530112288.db2.gz LOZPZIFCTRMCMY-KGLIPLIRSA-N 1 0 383.536 -0.574 20 0 GBADRO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000647320555 530112326 /nfs/dbraw/zinc/11/23/26/530112326.db2.gz LFVDHFUFZBBULT-CABCVRRESA-N 1 0 389.499 -0.149 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000647495536 1072882773 /nfs/dbraw/zinc/88/27/73/1072882773.db2.gz BRGZVPTUWLYGEL-UHFFFAOYSA-N 1 0 398.460 -0.096 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647510994 1072953752 /nfs/dbraw/zinc/95/37/52/1072953752.db2.gz DGWCZPDTLXWUKD-HNNXBMFYSA-N 1 0 386.518 -0.529 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647510995 1072953810 /nfs/dbraw/zinc/95/38/10/1072953810.db2.gz DGWCZPDTLXWUKD-OAHLLOKOSA-N 1 0 386.518 -0.529 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000647511107 1072953180 /nfs/dbraw/zinc/95/31/80/1072953180.db2.gz WDDOOGLJLQZLBW-UHFFFAOYSA-N 1 0 382.486 -0.532 20 0 GBADRO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000647512291 1072959082 /nfs/dbraw/zinc/95/90/82/1072959082.db2.gz MPRLPROKWDDQLF-MRXNPFEDSA-N 1 0 394.497 -0.435 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647512348 1072958935 /nfs/dbraw/zinc/95/89/35/1072958935.db2.gz VJKCEWOUTLLZDW-HNNXBMFYSA-N 1 0 386.518 -0.672 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647512349 1072959204 /nfs/dbraw/zinc/95/92/04/1072959204.db2.gz VJKCEWOUTLLZDW-OAHLLOKOSA-N 1 0 386.518 -0.672 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647512373 1072958953 /nfs/dbraw/zinc/95/89/53/1072958953.db2.gz YDAWFKKGPHOCPE-HUUCEWRRSA-N 1 0 386.518 -0.672 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000647512864 1072959724 /nfs/dbraw/zinc/95/97/24/1072959724.db2.gz KFIWIXYZNTUVTO-GDBMZVCRSA-N 1 0 394.497 -0.389 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000647512865 1072960137 /nfs/dbraw/zinc/96/01/37/1072960137.db2.gz KFIWIXYZNTUVTO-GOEBONIOSA-N 1 0 394.497 -0.389 20 0 GBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000647512866 1072959700 /nfs/dbraw/zinc/95/97/00/1072959700.db2.gz KFIWIXYZNTUVTO-HOCLYGCPSA-N 1 0 394.497 -0.389 20 0 GBADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000647512868 1072960272 /nfs/dbraw/zinc/96/02/72/1072960272.db2.gz KFIWIXYZNTUVTO-ZBFHGGJFSA-N 1 0 394.497 -0.389 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647512894 1072959883 /nfs/dbraw/zinc/95/98/83/1072959883.db2.gz OIAOMKKJXXLERB-INIZCTEOSA-N 1 0 394.497 -0.435 20 0 GBADRO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000647512895 1072959683 /nfs/dbraw/zinc/95/96/83/1072959683.db2.gz OIAOMKKJXXLERB-MRXNPFEDSA-N 1 0 394.497 -0.435 20 0 GBADRO C[C@@H](O)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000647516590 530126520 /nfs/dbraw/zinc/12/65/20/530126520.db2.gz CDGHAOYBKRZRIK-VXGBXAGGSA-N 1 0 380.488 -0.958 20 0 GBADRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000647520096 1072978068 /nfs/dbraw/zinc/97/80/68/1072978068.db2.gz VSIVVSBTQRLVBI-CABCVRRESA-N 1 0 377.441 -0.116 20 0 GBADRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000647520098 1072978237 /nfs/dbraw/zinc/97/82/37/1072978237.db2.gz VSIVVSBTQRLVBI-HUUCEWRRSA-N 1 0 377.441 -0.116 20 0 GBADRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000647520099 1072977991 /nfs/dbraw/zinc/97/79/91/1072977991.db2.gz VSIVVSBTQRLVBI-LSDHHAIUSA-N 1 0 377.441 -0.116 20 0 GBADRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)Nc1ccc(N2CCCC2=O)cc1 ZINC000647523229 1072980542 /nfs/dbraw/zinc/98/05/42/1072980542.db2.gz AFINRGPFROZNBP-HUUCEWRRSA-N 1 0 381.454 -0.111 20 0 GBADRO COC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000647525358 530126251 /nfs/dbraw/zinc/12/62/51/530126251.db2.gz TXYHIXMQADATHH-GFCCVEGCSA-N 1 0 380.488 -0.693 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@](C)(O)CO ZINC000647527079 530127084 /nfs/dbraw/zinc/12/70/84/530127084.db2.gz BZIDXVCHGYKKMV-AWEZNQCLSA-N 1 0 380.488 -0.957 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@](C)(O)CO ZINC000647527080 530126814 /nfs/dbraw/zinc/12/68/14/530126814.db2.gz 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O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000647882885 1073989732 /nfs/dbraw/zinc/98/97/32/1073989732.db2.gz MFHVZAICEQQLHB-OAHLLOKOSA-N 1 0 396.469 -0.486 20 0 GBADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1O ZINC000647886253 530214917 /nfs/dbraw/zinc/21/49/17/530214917.db2.gz ISCZYSYZGLLHJF-QWRGUYRKSA-N 1 0 377.850 -0.501 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000647886421 530214947 /nfs/dbraw/zinc/21/49/47/530214947.db2.gz QVFYJZQGGXOMQX-KBPBESRZSA-N 1 0 377.488 -0.768 20 0 GBADRO [NH3+][C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000647914873 1072339431 /nfs/dbraw/zinc/33/94/31/1072339431.db2.gz GNOTZXIITYJQET-OAHLLOKOSA-N 1 0 394.859 -0.131 20 0 GBADRO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647915323 1072340489 /nfs/dbraw/zinc/34/04/89/1072340489.db2.gz ZMPPUHALAKIGTK-FVQHAEBGSA-N 1 0 379.482 -0.070 20 0 GBADRO CC1(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)C[NH2+]C1 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ZINC000648164789 1072201027 /nfs/dbraw/zinc/20/10/27/1072201027.db2.gz WXBCSRURAGSOEC-INIZCTEOSA-N 1 0 382.486 -0.058 20 0 GBADRO Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H]4C[C@H](O)C[NH2+]4)CC3)C2=O)n(C)n1 ZINC000648170906 1072349788 /nfs/dbraw/zinc/34/97/88/1072349788.db2.gz GSHINCLXHPZMOT-ARFHVFGLSA-N 1 0 390.488 -0.909 20 0 GBADRO Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H]4C[C@H](O)C[NH2+]4)CC3)C2=O)n(C)n1 ZINC000648170907 1072349533 /nfs/dbraw/zinc/34/95/33/1072349533.db2.gz GSHINCLXHPZMOT-XHSDSOJGSA-N 1 0 390.488 -0.909 20 0 GBADRO Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H]4[C@@H]5C[NH2+]C[C@@H]54)CC3)C2=O)n(C)n1 ZINC000648170982 1072350470 /nfs/dbraw/zinc/35/04/70/1072350470.db2.gz NGFQRLBJKPCOTF-UIBIWLFHSA-N 1 0 386.500 -0.166 20 0 GBADRO O=C(N1CC(S(=O)(=O)N2CCNCC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648178280 1072495402 /nfs/dbraw/zinc/49/54/02/1072495402.db2.gz LRFZFDMRUOQRKG-UHFFFAOYSA-N 1 0 392.525 -0.246 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000648179321 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HDEBYSSEDCDKIJ-STQMWFEESA-N 1 0 381.454 -0.323 20 0 GBADRO O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000648204202 1072659664 /nfs/dbraw/zinc/65/96/64/1072659664.db2.gz WFHVCHJUMDSYQM-RDJZCZTQSA-N 1 0 379.432 -0.052 20 0 GBADRO O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000648204203 1072659812 /nfs/dbraw/zinc/65/98/12/1072659812.db2.gz WFHVCHJUMDSYQM-WBVHZDCISA-N 1 0 379.432 -0.052 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000648391272 530146311 /nfs/dbraw/zinc/14/63/11/530146311.db2.gz ZCUUBKROLUDQJZ-HNNXBMFYSA-N 1 0 377.507 -0.394 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000648391273 530146254 /nfs/dbraw/zinc/14/62/54/530146254.db2.gz ZCUUBKROLUDQJZ-OAHLLOKOSA-N 1 0 377.507 -0.394 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000648840679 530466786 /nfs/dbraw/zinc/46/67/86/530466786.db2.gz BRNXYMIGIUTKPV-KBPBESRZSA-N 1 0 395.547 -0.622 20 0 GBADRO 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ZINC000649078962 530474379 /nfs/dbraw/zinc/47/43/79/530474379.db2.gz VBFUJHWOVHGOMV-NEPJUHHUSA-N 1 0 388.515 -0.007 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649078963 530474496 /nfs/dbraw/zinc/47/44/96/530474496.db2.gz VBFUJHWOVHGOMV-NWDGAFQWSA-N 1 0 388.515 -0.007 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649078964 530474278 /nfs/dbraw/zinc/47/42/78/530474278.db2.gz VBFUJHWOVHGOMV-RYUDHWBXSA-N 1 0 388.515 -0.007 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649078965 530474633 /nfs/dbraw/zinc/47/46/33/530474633.db2.gz VBFUJHWOVHGOMV-VXGBXAGGSA-N 1 0 388.515 -0.007 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000649080257 530474425 /nfs/dbraw/zinc/47/44/25/530474425.db2.gz UORJOAHOKRKRFW-GFCCVEGCSA-N 1 0 388.515 -0.005 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000649080258 530474561 /nfs/dbraw/zinc/47/45/61/530474561.db2.gz 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ZINC000649422254 530489863 /nfs/dbraw/zinc/48/98/63/530489863.db2.gz JJLNLBYDWCBJBO-UHFFFAOYSA-N 1 0 390.531 -0.571 20 0 GBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422273 530489697 /nfs/dbraw/zinc/48/96/97/530489697.db2.gz KQXAJDQEOBCTQR-UHFFFAOYSA-N 1 0 375.516 -0.076 20 0 GBADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000649422336 530489706 /nfs/dbraw/zinc/48/97/06/530489706.db2.gz NVQJRXIATQUYDH-UHFFFAOYSA-N 1 0 394.494 -0.277 20 0 GBADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000649422348 530489725 /nfs/dbraw/zinc/48/97/25/530489725.db2.gz OJXOEIYSDPBHDN-UHFFFAOYSA-N 1 0 394.494 -0.277 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422387 530489842 /nfs/dbraw/zinc/48/98/42/530489842.db2.gz QWRQWMPLYJGDPX-UHFFFAOYSA-N 1 0 391.515 -0.376 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422477 530489557 /nfs/dbraw/zinc/48/95/57/530489557.db2.gz WWMFCJGIHPPMOH-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000649422747 530489572 /nfs/dbraw/zinc/48/95/72/530489572.db2.gz RYMRUZVHCRKKRX-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1 ZINC000649422753 530489810 /nfs/dbraw/zinc/48/98/10/530489810.db2.gz SUWKSMYZQABMHZ-UHFFFAOYSA-N 1 0 390.531 -0.537 20 0 GBADRO COCC[N@@H+]1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C(C)(C)C1 ZINC000649850112 530500613 /nfs/dbraw/zinc/50/06/13/530500613.db2.gz ZCOUHILHBRHGNE-UHFFFAOYSA-N 1 0 378.539 -0.573 20 0 GBADRO C[NH+]1CCC(CNC(=O)Cn2nc3n(c2=O)CCCC3)(N2CCOCC2)CC1 ZINC000650094945 1072127832 /nfs/dbraw/zinc/12/78/32/1072127832.db2.gz WTYMJQPZSZZSBH-UHFFFAOYSA-N 1 0 392.504 -0.706 20 0 GBADRO Cc1nc(Cn2nnc(NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c2C)no1 ZINC000650187776 1072261046 /nfs/dbraw/zinc/26/10/46/1072261046.db2.gz YMJIQCILNHDWKN-UHFFFAOYSA-N 1 0 391.436 -0.436 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000650300015 1072512932 /nfs/dbraw/zinc/51/29/32/1072512932.db2.gz NHFWZXWZZQQVQS-UHFFFAOYSA-N 1 0 382.486 -0.217 20 0 GBADRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000650300419 1072515937 /nfs/dbraw/zinc/51/59/37/1072515937.db2.gz CAMXUVYSKQRVAR-SOUVJXGZSA-N 1 0 378.473 -0.218 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1=O ZINC000650301244 1072522637 /nfs/dbraw/zinc/52/26/37/1072522637.db2.gz IJPVCKOMCFRZBT-UHFFFAOYSA-N 1 0 394.497 -0.027 20 0 GBADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C2=O ZINC000650301298 1072522659 /nfs/dbraw/zinc/52/26/59/1072522659.db2.gz KZWBXQZIJKKXGF-IFXJQAMLSA-N 1 0 393.488 -0.281 20 0 GBADRO CN1C(=O)N(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(=O)C12CCCCC2 ZINC000650301453 1072522135 /nfs/dbraw/zinc/52/21/35/1072522135.db2.gz RGHOPUGRPCNMFX-UHFFFAOYSA-N 1 0 393.488 -0.184 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1=O ZINC000650301752 1072524333 /nfs/dbraw/zinc/52/43/33/1072524333.db2.gz GARRAASCULHVPI-UHFFFAOYSA-N 1 0 394.497 -0.145 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1=O ZINC000650302903 530088822 /nfs/dbraw/zinc/08/88/22/530088822.db2.gz DQRQSOGLILAXGR-UHFFFAOYSA-N 1 0 385.262 -0.157 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1=O ZINC000650303563 1072536854 /nfs/dbraw/zinc/53/68/54/1072536854.db2.gz GMHVSENEIAETHF-UHFFFAOYSA-N 1 0 387.440 -0.309 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1=O ZINC000650303861 530089142 /nfs/dbraw/zinc/08/91/42/530089142.db2.gz URYNHPHJQCRILN-UHFFFAOYSA-N 1 0 396.249 -0.267 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1=O ZINC000650305057 1072542230 /nfs/dbraw/zinc/54/22/30/1072542230.db2.gz JZZXLBJUIZZTIW-KRWDZBQOSA-N 1 0 388.468 -0.354 20 0 GBADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650305105 530089757 /nfs/dbraw/zinc/08/97/57/530089757.db2.gz LJNINNQQSYWXDY-UHFFFAOYSA-N 1 0 388.515 -0.156 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1=O ZINC000650305399 1072543813 /nfs/dbraw/zinc/54/38/13/1072543813.db2.gz UHSIIPORCHZYDC-MRXNPFEDSA-N 1 0 386.452 -0.262 20 0 GBADRO Cc1oc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1S(=O)(=O)N(C)C ZINC000650306155 1072543235 /nfs/dbraw/zinc/54/32/35/1072543235.db2.gz ZXXGIUOLCVWEOJ-UHFFFAOYSA-N 1 0 386.474 -0.316 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1=O ZINC000650307330 1072551184 /nfs/dbraw/zinc/55/11/84/1072551184.db2.gz VDXANCKDUFESOK-UHFFFAOYSA-N 1 0 376.457 -0.335 20 0 GBADRO Cc1nnnn1-c1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(F)c1 ZINC000650309003 1072557508 /nfs/dbraw/zinc/55/75/08/1072557508.db2.gz CYNXPVFUXOXAOT-UHFFFAOYSA-N 1 0 375.408 -0.044 20 0 GBADRO Cc1cc(Cn2nnc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c2C)on1 ZINC000650309370 1072558480 /nfs/dbraw/zinc/55/84/80/1072558480.db2.gz PRXQSEBFMDBFQS-UHFFFAOYSA-N 1 0 375.433 -0.223 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1=O ZINC000650310062 1072559229 /nfs/dbraw/zinc/55/92/29/1072559229.db2.gz KTXUOQJMCIEDOS-AWEZNQCLSA-N 1 0 395.481 -0.156 20 0 GBADRO NC(=O)Cn1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1=O ZINC000650340490 1072578518 /nfs/dbraw/zinc/57/85/18/1072578518.db2.gz AYRYDOHBPYOLAI-GJZGRUSLSA-N 1 0 377.445 -0.167 20 0 GBADRO NC(=O)Cn1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000650537216 1072206286 /nfs/dbraw/zinc/20/62/86/1072206286.db2.gz JOZRVFOFCWQVFM-SJORKVTESA-N 1 0 384.440 -0.121 20 0 GBADRO NC(=O)c1ncn(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000650542675 1072211395 /nfs/dbraw/zinc/21/13/95/1072211395.db2.gz OYQDXZVSPGKLTA-HZPDHXFCSA-N 1 0 384.440 -0.121 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1=O ZINC000650572833 530099179 /nfs/dbraw/zinc/09/91/79/530099179.db2.gz BPCGGYVQIMHRKO-UHFFFAOYSA-N 1 0 389.503 -0.689 20 0 GBADRO C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000650589924 1072276470 /nfs/dbraw/zinc/27/64/70/1072276470.db2.gz ULTZYFFGOAEDLJ-CYBMUJFWSA-N 1 0 397.501 -0.190 20 0 GBADRO C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000650589925 1072276235 /nfs/dbraw/zinc/27/62/35/1072276235.db2.gz ULTZYFFGOAEDLJ-ZDUSSCGKSA-N 1 0 397.501 -0.190 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000650652341 1072396668 /nfs/dbraw/zinc/39/66/68/1072396668.db2.gz AHPLAHDPBVZZCJ-UHFFFAOYSA-N 1 0 397.501 -0.490 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650674854 530108446 /nfs/dbraw/zinc/10/84/46/530108446.db2.gz ANDXYTSPAIICRV-UHFFFAOYSA-N 1 0 377.511 -0.927 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1=O ZINC000650680494 530109178 /nfs/dbraw/zinc/10/91/78/530109178.db2.gz GWYOEFGPDZSTDX-UHFFFAOYSA-N 1 0 377.511 -0.880 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000650687457 530110028 /nfs/dbraw/zinc/11/00/28/530110028.db2.gz PKUVDBMDKGKPNH-AWEZNQCLSA-N 1 0 376.523 -0.043 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000650687458 530109973 /nfs/dbraw/zinc/10/99/73/530109973.db2.gz PKUVDBMDKGKPNH-CQSZACIVSA-N 1 0 376.523 -0.043 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1=O ZINC000650693269 1072458844 /nfs/dbraw/zinc/45/88/44/1072458844.db2.gz PBTLNDKFRVDEHZ-UHFFFAOYSA-N 1 0 393.492 -0.813 20 0 GBADRO CCN(CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)S(C)(=O)=O ZINC000650716346 530110486 /nfs/dbraw/zinc/11/04/86/530110486.db2.gz YGONWPLIPRAPTQ-UHFFFAOYSA-N 1 0 377.511 -0.927 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCCNC(=O)c2ccccc2F)CC1=O ZINC000650724014 1072477192 /nfs/dbraw/zinc/47/71/92/1072477192.db2.gz XCBHFKKNJIDUCC-UHFFFAOYSA-N 1 0 379.436 -0.029 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1=O ZINC000650728647 1072481242 /nfs/dbraw/zinc/48/12/42/1072481242.db2.gz MMXDMTXUIITPKJ-SFHVURJKSA-N 1 0 399.561 -0.390 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O ZINC000650732781 1072485122 /nfs/dbraw/zinc/48/51/22/1072485122.db2.gz BPMXYTDYNHRMOI-UHFFFAOYSA-N 1 0 379.436 -0.029 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000650809329 530114793 /nfs/dbraw/zinc/11/47/93/530114793.db2.gz DSSZJAOIAMDLEV-UHFFFAOYSA-N 1 0 377.555 -0.159 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000650809346 530115112 /nfs/dbraw/zinc/11/51/12/530115112.db2.gz FEWWKIPGAZEIJZ-UHFFFAOYSA-N 1 0 375.539 -0.309 20 0 GBADRO NC(=O)[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000650843848 1072616524 /nfs/dbraw/zinc/61/65/24/1072616524.db2.gz NAFMNTVAONANNX-GASCZTMLSA-N 1 0 375.477 -0.058 20 0 GBADRO CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H]2COC[C@H]2O1 ZINC000650879855 1072641779 /nfs/dbraw/zinc/64/17/79/1072641779.db2.gz ZJPNCFULAFLZIS-BRWVUGGUSA-N 1 0 382.505 -0.019 20 0 GBADRO CC1(C)CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H]2COC[C@H]2O1 ZINC000650879856 1072642071 /nfs/dbraw/zinc/64/20/71/1072642071.db2.gz ZJPNCFULAFLZIS-GVDBMIGSSA-N 1 0 382.505 -0.019 20 0 GBADRO Cn1cc(N2CCC[C@H](NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2)cn1 ZINC000650918933 1072788192 /nfs/dbraw/zinc/78/81/92/1072788192.db2.gz NZQGMDQNIUZFOB-HNNXBMFYSA-N 1 0 377.493 -0.196 20 0 GBADRO Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2)cn1 ZINC000650918934 1072788067 /nfs/dbraw/zinc/78/80/67/1072788067.db2.gz NZQGMDQNIUZFOB-OAHLLOKOSA-N 1 0 377.493 -0.196 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2=O)n1 ZINC000650934410 1072945821 /nfs/dbraw/zinc/94/58/21/1072945821.db2.gz MNYTVUVQGMNCPY-AWEZNQCLSA-N 1 0 391.476 -0.669 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000650937191 1072959062 /nfs/dbraw/zinc/95/90/62/1072959062.db2.gz MOGIERMXIIQYQK-UHFFFAOYSA-N 1 0 377.445 -0.534 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2=O)n(C)n1 ZINC000650939109 1072971710 /nfs/dbraw/zinc/97/17/10/1072971710.db2.gz VRWVIGHRCIPRAK-AWEZNQCLSA-N 1 0 391.476 -0.751 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C2=O)n(C)n1 ZINC000650939110 1072971556 /nfs/dbraw/zinc/97/15/56/1072971556.db2.gz VRWVIGHRCIPRAK-CQSZACIVSA-N 1 0 391.476 -0.751 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(=O)N1c1cnn(C)c1 ZINC000650941340 1072982493 /nfs/dbraw/zinc/98/24/93/1072982493.db2.gz HBGDPDICFVMLIL-DZGCQCFKSA-N 1 0 391.476 -0.671 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(=O)N1c1cnn(C)c1 ZINC000650941341 1072982667 /nfs/dbraw/zinc/98/26/67/1072982667.db2.gz HBGDPDICFVMLIL-HIFRSBDPSA-N 1 0 391.476 -0.671 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(=O)N1c1cnn(C)c1 ZINC000650941342 1072983353 /nfs/dbraw/zinc/98/33/53/1072983353.db2.gz HBGDPDICFVMLIL-UKRRQHHQSA-N 1 0 391.476 -0.671 20 0 GBADRO C[C@H]1C[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(=O)N1c1cnn(C)c1 ZINC000650941343 1072983921 /nfs/dbraw/zinc/98/39/21/1072983921.db2.gz HBGDPDICFVMLIL-ZFWWWQNUSA-N 1 0 391.476 -0.671 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000650954910 1073010808 /nfs/dbraw/zinc/01/08/08/1073010808.db2.gz FUNWGTBFFDOQKJ-ACJLOTCBSA-N 1 0 394.476 -0.878 20 0 GBADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000650954912 1073010901 /nfs/dbraw/zinc/01/09/01/1073010901.db2.gz FUNWGTBFFDOQKJ-SCLBCKFNSA-N 1 0 394.476 -0.878 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1=O ZINC000650954913 1073010375 /nfs/dbraw/zinc/01/03/75/1073010375.db2.gz FUNWGTBFFDOQKJ-UGSOOPFHSA-N 1 0 394.476 -0.878 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650973410 1073052318 /nfs/dbraw/zinc/05/23/18/1073052318.db2.gz CBQLAMGPDRHXBN-UHFFFAOYSA-N 1 0 383.493 -0.571 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000650998027 1073131364 /nfs/dbraw/zinc/13/13/64/1073131364.db2.gz TXMNUMTZPDOSNC-CQSZACIVSA-N 1 0 385.490 -0.145 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1=O ZINC000651026040 1073210639 /nfs/dbraw/zinc/21/06/39/1073210639.db2.gz UUOJHJHFKYJGPD-MRXNPFEDSA-N 1 0 388.472 -0.008 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1=O ZINC000651101104 1073219659 /nfs/dbraw/zinc/21/96/59/1073219659.db2.gz HKLDKTNPZYWZLF-UHFFFAOYSA-N 1 0 383.474 -0.751 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000651109787 1073219708 /nfs/dbraw/zinc/21/97/08/1073219708.db2.gz YVYHGHOUVQAVFH-UHFFFAOYSA-N 1 0 397.545 -0.212 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)(N2CCOCC2)CC1 ZINC000651153977 1073222174 /nfs/dbraw/zinc/22/21/74/1073222174.db2.gz CYMUIUPFYJBOFX-QGZVFWFLSA-N 1 0 381.521 -0.757 20 0 GBADRO CCN1C[C@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000651153992 1073222296 /nfs/dbraw/zinc/22/22/96/1073222296.db2.gz DCLZRMBQPYNRPR-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CCN1C[C@@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000651153993 1073223309 /nfs/dbraw/zinc/22/33/09/1073223309.db2.gz DCLZRMBQPYNRPR-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO CN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651240921 1073235552 /nfs/dbraw/zinc/23/55/52/1073235552.db2.gz MHMAYMWIPRFHDS-GOEBONIOSA-N 1 0 387.550 -0.170 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000651241090 530140435 /nfs/dbraw/zinc/14/04/35/530140435.db2.gz ZXTBBBGHZWMWIJ-AWEZNQCLSA-N 1 0 375.539 -0.264 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000651241091 530140342 /nfs/dbraw/zinc/14/03/42/530140342.db2.gz ZXTBBBGHZWMWIJ-CQSZACIVSA-N 1 0 375.539 -0.264 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)c2)C1 ZINC000651293273 1073240250 /nfs/dbraw/zinc/24/02/50/1073240250.db2.gz DAVGVMWFFTXXEB-HOTGVXAUSA-N 1 0 394.497 -0.308 20 0 GBADRO CN1CC[NH+](CC2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000651300725 1073241613 /nfs/dbraw/zinc/24/16/13/1073241613.db2.gz UAHFCQNVJLKEFV-UHFFFAOYSA-N 1 0 376.505 -0.133 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000651302775 1073241531 /nfs/dbraw/zinc/24/15/31/1073241531.db2.gz VKRMBVKXSRLJNR-SFHVURJKSA-N 1 0 394.491 -0.059 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651314827 530141322 /nfs/dbraw/zinc/14/13/22/530141322.db2.gz JJWCIVSHVXVHFL-HNNXBMFYSA-N 1 0 375.539 -0.649 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651314828 530141466 /nfs/dbraw/zinc/14/14/66/530141466.db2.gz JJWCIVSHVXVHFL-OAHLLOKOSA-N 1 0 375.539 -0.649 20 0 GBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nc(N)nc(N4CCOCC4)n3)C2)CC1 ZINC000651322107 1073245324 /nfs/dbraw/zinc/24/53/24/1073245324.db2.gz DARKJVZQTBEHSR-CYBMUJFWSA-N 1 0 390.492 -0.981 20 0 GBADRO CN(C)c1ncc(CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)n1C ZINC000651327250 1073246775 /nfs/dbraw/zinc/24/67/75/1073246775.db2.gz XXDYVVPZAWRQGS-HNNXBMFYSA-N 1 0 377.420 -0.039 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000651330569 1073247313 /nfs/dbraw/zinc/24/73/13/1073247313.db2.gz ARCOADYVUMOYRP-QAPCUYQASA-N 1 0 394.491 -0.013 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000651330570 1073247369 /nfs/dbraw/zinc/24/73/69/1073247369.db2.gz ARCOADYVUMOYRP-YJBOKZPZSA-N 1 0 394.491 -0.013 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651332255 1073247566 /nfs/dbraw/zinc/24/75/66/1073247566.db2.gz QYNRHRNYQROFHL-HNNXBMFYSA-N 1 0 388.534 -0.235 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651332256 1073247383 /nfs/dbraw/zinc/24/73/83/1073247383.db2.gz QYNRHRNYQROFHL-OAHLLOKOSA-N 1 0 388.534 -0.235 20 0 GBADRO C[C@H](CNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000651333398 1073248056 /nfs/dbraw/zinc/24/80/56/1073248056.db2.gz INXQEQUJHGHSPG-QAPCUYQASA-N 1 0 394.491 -0.155 20 0 GBADRO C[C@@H](CNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000651333399 1073247974 /nfs/dbraw/zinc/24/79/74/1073247974.db2.gz INXQEQUJHGHSPG-YJBOKZPZSA-N 1 0 394.491 -0.155 20 0 GBADRO C[C@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000651333458 1073248146 /nfs/dbraw/zinc/24/81/46/1073248146.db2.gz KHNVCJXHHORRBM-PBHICJAKSA-N 1 0 380.464 -0.084 20 0 GBADRO C[C@@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000651333459 1073248222 /nfs/dbraw/zinc/24/82/22/1073248222.db2.gz KHNVCJXHHORRBM-YOEHRIQHSA-N 1 0 380.464 -0.084 20 0 GBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000651334570 1073248380 /nfs/dbraw/zinc/24/83/80/1073248380.db2.gz FNWNGLNDKRGHIY-UHFFFAOYSA-N 1 0 378.477 -0.703 20 0 GBADRO C[C@H](CNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000651334762 1073248110 /nfs/dbraw/zinc/24/81/10/1073248110.db2.gz PFFJJRFTNQWZPX-PBHICJAKSA-N 1 0 380.464 -0.403 20 0 GBADRO C[C@@H](CNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000651334763 1073248165 /nfs/dbraw/zinc/24/81/65/1073248165.db2.gz PFFJJRFTNQWZPX-YOEHRIQHSA-N 1 0 380.464 -0.403 20 0 GBADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000651335317 1073248316 /nfs/dbraw/zinc/24/83/16/1073248316.db2.gz JTFKILOPKJKDCR-SFHVURJKSA-N 1 0 394.491 -0.011 20 0 GBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1(n2cnnn2)CCCCC1 ZINC000651348215 1073252298 /nfs/dbraw/zinc/25/22/98/1073252298.db2.gz JBRZLHPGTDFGHV-INIZCTEOSA-N 1 0 377.493 -0.145 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1(n2cnnn2)CCCCC1 ZINC000651348216 1073252048 /nfs/dbraw/zinc/25/20/48/1073252048.db2.gz JBRZLHPGTDFGHV-MRXNPFEDSA-N 1 0 377.493 -0.145 20 0 GBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000651356924 1073258506 /nfs/dbraw/zinc/25/85/06/1073258506.db2.gz AQODWSKGLKLUPI-KRWDZBQOSA-N 1 0 381.448 -0.192 20 0 GBADRO CC(C)C[N@H+](C)CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000651363280 1073262362 /nfs/dbraw/zinc/26/23/62/1073262362.db2.gz SSKHPCGJBYUHTC-SCFUHWHPSA-N 1 0 394.476 -0.172 20 0 GBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651367888 1073263970 /nfs/dbraw/zinc/26/39/70/1073263970.db2.gz KEFYLVXMGUYRSY-HNNXBMFYSA-N 1 0 396.513 -0.033 20 0 GBADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651367889 1073263863 /nfs/dbraw/zinc/26/38/63/1073263863.db2.gz KEFYLVXMGUYRSY-OAHLLOKOSA-N 1 0 396.513 -0.033 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1=O ZINC000651403406 1073286425 /nfs/dbraw/zinc/28/64/25/1073286425.db2.gz TVHDSVVEJXYTEG-UHFFFAOYSA-N 1 0 384.444 -0.151 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)N3)cc2)CC1 ZINC000651410852 1073290796 /nfs/dbraw/zinc/29/07/96/1073290796.db2.gz DJRMQINBEHNOMS-INIZCTEOSA-N 1 0 382.486 -0.057 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCS(=O)(=O)N3)cc2)CC1 ZINC000651410853 1073290756 /nfs/dbraw/zinc/29/07/56/1073290756.db2.gz DJRMQINBEHNOMS-MRXNPFEDSA-N 1 0 382.486 -0.057 20 0 GBADRO CC(C)(C)Nc1nc(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]c(N[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000651413198 1073292598 /nfs/dbraw/zinc/29/25/98/1073292598.db2.gz SUYVTNOAMFCFLA-FDNPJPRYSA-N 1 0 376.465 -0.723 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000651443406 1073314399 /nfs/dbraw/zinc/31/43/99/1073314399.db2.gz VBTSMFALGIXPAO-SFHVURJKSA-N 1 0 394.491 -0.013 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000651470912 1073322103 /nfs/dbraw/zinc/32/21/03/1073322103.db2.gz CMBQCMKHXGMKLO-AWEZNQCLSA-N 1 0 388.490 -0.335 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000651470913 1073322222 /nfs/dbraw/zinc/32/22/22/1073322222.db2.gz CMBQCMKHXGMKLO-CQSZACIVSA-N 1 0 388.490 -0.335 20 0 GBADRO CN(CC[NH+]1CCCCC1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000651478210 1073326786 /nfs/dbraw/zinc/32/67/86/1073326786.db2.gz WJJVSWYOVWDRRJ-SCFUHWHPSA-N 1 0 392.460 -0.640 20 0 GBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000651534509 1073355688 /nfs/dbraw/zinc/35/56/88/1073355688.db2.gz MEUALQROCMTRJZ-MJBXVCDLSA-N 1 0 391.472 -0.245 20 0 GBADRO COC1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000651546313 530151717 /nfs/dbraw/zinc/15/17/17/530151717.db2.gz POSKPYGVMCTLGZ-AWEZNQCLSA-N 1 0 377.507 -0.311 20 0 GBADRO COC1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000651546314 530151648 /nfs/dbraw/zinc/15/16/48/530151648.db2.gz POSKPYGVMCTLGZ-CQSZACIVSA-N 1 0 377.507 -0.311 20 0 GBADRO COC1(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000651549283 1073362436 /nfs/dbraw/zinc/36/24/36/1073362436.db2.gz GWWZREXVFXUALT-UHFFFAOYSA-N 1 0 389.518 -0.248 20 0 GBADRO COc1cncc(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000651549476 1073362249 /nfs/dbraw/zinc/36/22/49/1073362249.db2.gz PRFPLSXYWGQUNK-GASCZTMLSA-N 1 0 390.488 -0.137 20 0 GBADRO COc1cncc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000651549477 1073362926 /nfs/dbraw/zinc/36/29/26/1073362926.db2.gz PRFPLSXYWGQUNK-GJZGRUSLSA-N 1 0 390.488 -0.137 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)c2nc(N)nc(N3CCOCC3)n2)ccc1=O ZINC000651578847 1073371733 /nfs/dbraw/zinc/37/17/33/1073371733.db2.gz FYOAHGISTNVQOW-UHFFFAOYSA-N 1 0 388.432 -0.904 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000651581026 530154302 /nfs/dbraw/zinc/15/43/02/530154302.db2.gz FDTXHCFVZKWWRX-CHWSQXEVSA-N 1 0 381.520 -0.964 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000651581027 530154161 /nfs/dbraw/zinc/15/41/61/530154161.db2.gz FDTXHCFVZKWWRX-OLZOCXBDSA-N 1 0 381.520 -0.964 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000651581028 530154371 /nfs/dbraw/zinc/15/43/71/530154371.db2.gz FDTXHCFVZKWWRX-QWHCGFSZSA-N 1 0 381.520 -0.964 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000651581029 530154128 /nfs/dbraw/zinc/15/41/28/530154128.db2.gz FDTXHCFVZKWWRX-STQMWFEESA-N 1 0 381.520 -0.964 20 0 GBADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C(=O)NC(CO)CO)cc2)CC1 ZINC000651601731 1073383697 /nfs/dbraw/zinc/38/36/97/1073383697.db2.gz NSCYBJKILARMDF-UHFFFAOYSA-N 1 0 394.472 -0.889 20 0 GBADRO COC1(CS(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCOCC1 ZINC000651604766 1073383613 /nfs/dbraw/zinc/38/36/13/1073383613.db2.gz JXZQDZOVIWKVBE-HNNXBMFYSA-N 1 0 389.518 -0.250 20 0 GBADRO C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000651615156 1073385777 /nfs/dbraw/zinc/38/57/77/1073385777.db2.gz JPNXNESHDBMFDJ-JKSUJKDBSA-N 1 0 376.505 -0.135 20 0 GBADRO O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)[C@@H]1CCS(=O)(=O)N1 ZINC000651624504 1073387228 /nfs/dbraw/zinc/38/72/28/1073387228.db2.gz RQFNIMACHSJXBY-XHSDSOJGSA-N 1 0 392.481 -0.607 20 0 GBADRO COc1cncc(NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1 ZINC000651641074 1073388911 /nfs/dbraw/zinc/38/89/11/1073388911.db2.gz CXXCJYKWMQLMEB-UHFFFAOYSA-N 1 0 390.488 -0.137 20 0 GBADRO O=C(Cn1nc2n(c1=O)CCCC2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000651642648 1073389582 /nfs/dbraw/zinc/38/95/82/1073389582.db2.gz APIFXKKGNGSWCO-UHFFFAOYSA-N 1 0 379.461 -0.933 20 0 GBADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCC1 ZINC000651665211 1073394382 /nfs/dbraw/zinc/39/43/82/1073394382.db2.gz PBXGPNJWLWBHEN-UHFFFAOYSA-N 1 0 377.445 -0.490 20 0 GBADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc2)CC1 ZINC000651691857 1073405880 /nfs/dbraw/zinc/40/58/80/1073405880.db2.gz JQVFQQOXKVWRPI-MRXNPFEDSA-N 1 0 394.472 -0.889 20 0 GBADRO NC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1=O ZINC000651698503 1073406865 /nfs/dbraw/zinc/40/68/65/1073406865.db2.gz TVPODSRSFCQNEI-AWEZNQCLSA-N 1 0 375.429 -0.641 20 0 GBADRO COc1cncc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000651704263 1073408043 /nfs/dbraw/zinc/40/80/43/1073408043.db2.gz BDQTUSKTGIYXHV-AWEZNQCLSA-N 1 0 376.461 -0.528 20 0 GBADRO C[NH+]1CCC(CNS(=O)(=O)N2CCCOCC2)(N2CCOCC2)CC1 ZINC000651740016 530160702 /nfs/dbraw/zinc/16/07/02/530160702.db2.gz NBOIVEKBPQYQLC-UHFFFAOYSA-N 1 0 376.523 -0.660 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCS(=O)(=O)N2)c1 ZINC000651740581 530160990 /nfs/dbraw/zinc/16/09/90/530160990.db2.gz FOGXRSSQHLGBFT-CYBMUJFWSA-N 1 0 390.487 -0.843 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 ZINC000651740582 530160804 /nfs/dbraw/zinc/16/08/04/530160804.db2.gz FOGXRSSQHLGBFT-ZDUSSCGKSA-N 1 0 390.487 -0.843 20 0 GBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000651759014 1073419930 /nfs/dbraw/zinc/41/99/30/1073419930.db2.gz XZLFWSYFHMDTIT-QAPCUYQASA-N 1 0 394.491 -0.013 20 0 GBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000651759015 1073419593 /nfs/dbraw/zinc/41/95/93/1073419593.db2.gz XZLFWSYFHMDTIT-YJBOKZPZSA-N 1 0 394.491 -0.013 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000651783449 1073423330 /nfs/dbraw/zinc/42/33/30/1073423330.db2.gz CRDZVWYHKRWGBL-GOSISDBHSA-N 1 0 398.529 -0.180 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000651783450 1073423355 /nfs/dbraw/zinc/42/33/55/1073423355.db2.gz CRDZVWYHKRWGBL-SFHVURJKSA-N 1 0 398.529 -0.180 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NC(C)(CO)CO)cc2)CC1 ZINC000651786579 1073422977 /nfs/dbraw/zinc/42/29/77/1073422977.db2.gz BHSROQGBWNWCEQ-UHFFFAOYSA-N 1 0 394.472 -0.889 20 0 GBADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)ccc21 ZINC000651792143 1073426123 /nfs/dbraw/zinc/42/61/23/1073426123.db2.gz FXJNQIYTCQYRDD-UHFFFAOYSA-N 1 0 394.497 -0.010 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000651792261 530163240 /nfs/dbraw/zinc/16/32/40/530163240.db2.gz MDXCLVMGVPXHAR-UHFFFAOYSA-N 1 0 389.499 -0.515 20 0 GBADRO CN1c2ccc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2CC1=O ZINC000651792278 1073425562 /nfs/dbraw/zinc/42/55/62/1073425562.db2.gz NAJQGBVAXJPOFF-UHFFFAOYSA-N 1 0 380.470 -0.400 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000651792320 530162875 /nfs/dbraw/zinc/16/28/75/530162875.db2.gz OQZNIPXGZPWBMV-UHFFFAOYSA-N 1 0 389.499 -0.515 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000651792398 530163118 /nfs/dbraw/zinc/16/31/18/530163118.db2.gz SUSQEQTYQXCYRV-UHFFFAOYSA-N 1 0 388.515 -0.221 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1C(N)=O ZINC000651792440 1073425500 /nfs/dbraw/zinc/42/55/00/1073425500.db2.gz UVSHGOUUPNYTMY-UHFFFAOYSA-N 1 0 384.458 -0.811 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1=O ZINC000651792443 530162832 /nfs/dbraw/zinc/16/28/32/530162832.db2.gz VCIQHRFNCFWFOK-UHFFFAOYSA-N 1 0 389.499 -0.515 20 0 GBADRO CN1C(=O)c2ccc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2C1=O ZINC000651792477 1073426027 /nfs/dbraw/zinc/42/60/27/1073426027.db2.gz VHBDMIGPKQRDSG-UHFFFAOYSA-N 1 0 394.453 -0.693 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1=O ZINC000651792523 1073425628 /nfs/dbraw/zinc/42/56/28/1073425628.db2.gz YDLFXQLYFGQSRA-UHFFFAOYSA-N 1 0 397.501 -0.355 20 0 GBADRO Cn1c2ccc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2oc1=O ZINC000651792546 1073425477 /nfs/dbraw/zinc/42/54/77/1073425477.db2.gz ZHFMWTRFZGIJBH-UHFFFAOYSA-N 1 0 382.442 -0.474 20 0 GBADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651792651 1073425725 /nfs/dbraw/zinc/42/57/25/1073425725.db2.gz AEVXCXYMPCYMDV-UHFFFAOYSA-N 1 0 393.473 -0.728 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1=O ZINC000651792738 1073426061 /nfs/dbraw/zinc/42/60/61/1073426061.db2.gz DXILRPKQPCCSFB-UHFFFAOYSA-N 1 0 380.470 -0.633 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1=O ZINC000651792776 1073425846 /nfs/dbraw/zinc/42/58/46/1073425846.db2.gz GZACVTSADSZXCU-UHFFFAOYSA-N 1 0 379.446 -0.943 20 0 GBADRO Cn1c2ccc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2n(C)c1=O ZINC000651792964 1073425605 /nfs/dbraw/zinc/42/56/05/1073425605.db2.gz QGLKSYYIQREXLB-UHFFFAOYSA-N 1 0 395.485 -0.729 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1=O ZINC000651793004 1073426105 /nfs/dbraw/zinc/42/61/05/1073426105.db2.gz SGSOGNYIXKODDT-UHFFFAOYSA-N 1 0 379.446 -0.943 20 0 GBADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651793051 1073425591 /nfs/dbraw/zinc/42/55/91/1073425591.db2.gz VYQOWYLEJBLULO-UHFFFAOYSA-N 1 0 382.486 -0.217 20 0 GBADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651793124 1073425522 /nfs/dbraw/zinc/42/55/22/1073425522.db2.gz ZRYUSCIOEMLSDL-UHFFFAOYSA-N 1 0 396.513 -0.240 20 0 GBADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000651793216 530162993 /nfs/dbraw/zinc/16/29/93/530162993.db2.gz AVFYWYFRNKWXQZ-UHFFFAOYSA-N 1 0 375.476 -0.504 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1=O ZINC000651793247 1073425450 /nfs/dbraw/zinc/42/54/50/1073425450.db2.gz CLPKNKCNMNBACY-UHFFFAOYSA-N 1 0 386.518 -0.577 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1=O ZINC000651793331 1073425551 /nfs/dbraw/zinc/42/55/51/1073425551.db2.gz HZRXFPBRULSJNE-UHFFFAOYSA-N 1 0 385.490 -0.371 20 0 GBADRO CNC(=O)c1ccc(CS(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651793376 1073425533 /nfs/dbraw/zinc/42/55/33/1073425533.db2.gz KUJRLCMCCWHUSD-UHFFFAOYSA-N 1 0 382.486 -0.418 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)CC1=O ZINC000651793406 1073426212 /nfs/dbraw/zinc/42/62/12/1073426212.db2.gz NBJUWNSWWRRJEK-UHFFFAOYSA-N 1 0 392.485 -0.279 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1=O ZINC000651793407 530163565 /nfs/dbraw/zinc/16/35/65/530163565.db2.gz NFQWXIMKAUSDLW-UHFFFAOYSA-N 1 0 388.877 -0.167 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1=O ZINC000651793515 1073425418 /nfs/dbraw/zinc/42/54/18/1073425418.db2.gz VXOLMGAGLZRVBM-UHFFFAOYSA-N 1 0 394.497 -0.453 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1=O ZINC000651793525 530163879 /nfs/dbraw/zinc/16/38/79/530163879.db2.gz WYKAFVFPNIHNAQ-UHFFFAOYSA-N 1 0 383.396 -0.160 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1=O ZINC000651793621 530163927 /nfs/dbraw/zinc/16/39/27/530163927.db2.gz BHTPOENBRJXEHX-UHFFFAOYSA-N 1 0 383.536 -0.765 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C(F)(F)F)n1 ZINC000651793664 530163919 /nfs/dbraw/zinc/16/39/19/530163919.db2.gz DAZBVQNHNZCQQV-UHFFFAOYSA-N 1 0 383.396 -0.167 20 0 GBADRO Cc1c(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)coc1C(=O)N(C)C ZINC000651793690 1073425542 /nfs/dbraw/zinc/42/55/42/1073425542.db2.gz FRFTUZWJSBQNNQ-UHFFFAOYSA-N 1 0 386.474 -0.316 20 0 GBADRO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651793934 1073426076 /nfs/dbraw/zinc/42/60/76/1073426076.db2.gz TXUXYLWJQDCTFM-INIZCTEOSA-N 1 0 388.534 -0.187 20 0 GBADRO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651793935 1073425749 /nfs/dbraw/zinc/42/57/49/1073425749.db2.gz TXUXYLWJQDCTFM-MRXNPFEDSA-N 1 0 388.534 -0.187 20 0 GBADRO CO[C@@H](CS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CCOCC1 ZINC000651794040 530163939 /nfs/dbraw/zinc/16/39/39/530163939.db2.gz ZNHHXBUHAKJMNM-HNNXBMFYSA-N 1 0 377.507 -0.536 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CCOCC1 ZINC000651794041 530163951 /nfs/dbraw/zinc/16/39/51/530163951.db2.gz ZNHHXBUHAKJMNM-OAHLLOKOSA-N 1 0 377.507 -0.536 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC[C@H]2CS(C)(=O)=O)cn1 ZINC000651837420 1073430220 /nfs/dbraw/zinc/43/02/20/1073430220.db2.gz BYMCPASHZJYGQL-AWEZNQCLSA-N 1 0 385.490 -0.191 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cn1 ZINC000651837421 1073430388 /nfs/dbraw/zinc/43/03/88/1073430388.db2.gz BYMCPASHZJYGQL-CQSZACIVSA-N 1 0 385.490 -0.191 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cn1 ZINC000651842350 1073431481 /nfs/dbraw/zinc/43/14/81/1073431481.db2.gz RGYWOJFHUPORTR-ZIAGYGMSSA-N 1 0 383.474 -0.439 20 0 GBADRO COCC(COC)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000651849929 1073434276 /nfs/dbraw/zinc/43/42/76/1073434276.db2.gz LJDJCUZKCMFEJV-UHFFFAOYSA-N 1 0 396.492 -0.811 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000651885316 1073439709 /nfs/dbraw/zinc/43/97/09/1073439709.db2.gz FOVBHRQYCJOZAW-UHFFFAOYSA-N 1 0 396.521 -0.314 20 0 GBADRO COc1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000651919438 1073449764 /nfs/dbraw/zinc/44/97/64/1073449764.db2.gz SIRNBWUEKHSDSX-GFCCVEGCSA-N 1 0 387.458 -0.309 20 0 GBADRO COc1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000651919439 1073450275 /nfs/dbraw/zinc/45/02/75/1073450275.db2.gz SIRNBWUEKHSDSX-LBPRGKRZSA-N 1 0 387.458 -0.309 20 0 GBADRO C[NH+]1CCC(n2ccc(=NC(=O)c3nc(N)nc(N4CCOCC4)n3)[nH]2)CC1 ZINC000651923885 1073453533 /nfs/dbraw/zinc/45/35/33/1073453533.db2.gz PXYNSXBXQCSLHX-UHFFFAOYSA-N 1 0 387.448 -0.742 20 0 GBADRO Cc1cnnn1-c1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651957230 1072245539 /nfs/dbraw/zinc/24/55/39/1072245539.db2.gz RWMBKZXNWARDAQ-UHFFFAOYSA-N 1 0 399.455 -0.253 20 0 GBADRO Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651957544 1072248081 /nfs/dbraw/zinc/24/80/81/1072248081.db2.gz ABZGPBMXWPXRCP-AWEZNQCLSA-N 1 0 392.460 -0.558 20 0 GBADRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651957545 1072248203 /nfs/dbraw/zinc/24/82/03/1072248203.db2.gz ABZGPBMXWPXRCP-CQSZACIVSA-N 1 0 392.460 -0.558 20 0 GBADRO Cn1cc(-c2ncccc2NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000651957607 1072247860 /nfs/dbraw/zinc/24/78/60/1072247860.db2.gz DNJIQUATJXQSGG-UHFFFAOYSA-N 1 0 399.455 -0.347 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1=O ZINC000651957609 1072247995 /nfs/dbraw/zinc/24/79/95/1072247995.db2.gz DOWHCYHCAIVGKA-UHFFFAOYSA-N 1 0 389.412 -0.812 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1=O ZINC000651957624 1072248347 /nfs/dbraw/zinc/24/83/47/1072248347.db2.gz FKRDOAXHXONNMF-UHFFFAOYSA-N 1 0 385.428 -0.357 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1=O ZINC000651957678 1072248901 /nfs/dbraw/zinc/24/89/01/1072248901.db2.gz HTJRAPSAZUXPOA-UHFFFAOYSA-N 1 0 387.440 -0.406 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CC1=O ZINC000651957691 1072248919 /nfs/dbraw/zinc/24/89/19/1072248919.db2.gz IJMBUSPFVYFMPC-UHFFFAOYSA-N 1 0 381.458 -0.613 20 0 GBADRO CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651957697 1072249257 /nfs/dbraw/zinc/24/92/57/1072249257.db2.gz INADZZQGDFNUDQ-UHFFFAOYSA-N 1 0 377.445 -0.040 20 0 GBADRO CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)ccc21 ZINC000651957701 1072249235 /nfs/dbraw/zinc/24/92/35/1072249235.db2.gz IOIBVCQJDVZBIH-UHFFFAOYSA-N 1 0 387.440 -0.624 20 0 GBADRO Cc1cc2c(cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)OCO2 ZINC000651957731 1072249221 /nfs/dbraw/zinc/24/92/21/1072249221.db2.gz JULYHGBVXNHOSR-UHFFFAOYSA-N 1 0 376.413 -0.105 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cc(-c3ccccc3)on2)CC1=O ZINC000651957840 1072249012 /nfs/dbraw/zinc/24/90/12/1072249012.db2.gz OKDCXWDJWZEYED-UHFFFAOYSA-N 1 0 385.424 -0.066 20 0 GBADRO CC[C@@H](C)n1[nH]c(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1C ZINC000651957862 1072248954 /nfs/dbraw/zinc/24/89/54/1072248954.db2.gz PGYINHQNFGVBSW-CYBMUJFWSA-N 1 0 378.477 -0.245 20 0 GBADRO CC[C@H](C)n1[nH]c(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1C ZINC000651957863 1072248991 /nfs/dbraw/zinc/24/89/91/1072248991.db2.gz PGYINHQNFGVBSW-ZDUSSCGKSA-N 1 0 378.477 -0.245 20 0 GBADRO CC(C)CCn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651957883 1072248829 /nfs/dbraw/zinc/24/88/29/1072248829.db2.gz QBSQRVHRRYRHRB-UHFFFAOYSA-N 1 0 378.477 -0.478 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1=O ZINC000651957972 1072250032 /nfs/dbraw/zinc/25/00/32/1072250032.db2.gz VVQTYARSMZMJQQ-UHFFFAOYSA-N 1 0 376.413 -0.371 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1=O ZINC000651957987 1072249889 /nfs/dbraw/zinc/24/98/89/1072249889.db2.gz WSAQJRLYRUXACS-UHFFFAOYSA-N 1 0 385.428 -0.562 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1=O ZINC000651957991 1072249826 /nfs/dbraw/zinc/24/98/26/1072249826.db2.gz WYSGHNXHZAMMHT-UHFFFAOYSA-N 1 0 399.455 -0.503 20 0 GBADRO Cc1ccnc(-n2nccc2NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958038 1072250295 /nfs/dbraw/zinc/25/02/95/1072250295.db2.gz ZWSFJEMIVAUHRH-UHFFFAOYSA-N 1 0 399.455 -0.253 20 0 GBADRO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958482 1072260792 /nfs/dbraw/zinc/26/07/92/1072260792.db2.gz BNOIYAMVUFAZHV-UHFFFAOYSA-N 1 0 399.455 -0.347 20 0 GBADRO CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958522 1072260984 /nfs/dbraw/zinc/26/09/84/1072260984.db2.gz DDGMIFREMGMVRA-UHFFFAOYSA-N 1 0 389.456 -0.393 20 0 GBADRO COCCOc1cccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958526 1072261249 /nfs/dbraw/zinc/26/12/49/1072261249.db2.gz DKWVYQVQIDFWAP-UHFFFAOYSA-N 1 0 392.456 -0.117 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1=O ZINC000651958556 1072261262 /nfs/dbraw/zinc/26/12/62/1072261262.db2.gz FUMYTOILVOIODS-UHFFFAOYSA-N 1 0 384.440 -0.535 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1=O ZINC000651958577 1072260699 /nfs/dbraw/zinc/26/06/99/1072260699.db2.gz HDPCZOMBJIRJOG-UHFFFAOYSA-N 1 0 399.455 -0.503 20 0 GBADRO COc1ccc(OC)c(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958584 1072261236 /nfs/dbraw/zinc/26/12/36/1072261236.db2.gz HLJPYGNKZJKHIV-UHFFFAOYSA-N 1 0 378.429 -0.125 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1=O ZINC000651958586 1072261036 /nfs/dbraw/zinc/26/10/36/1072261036.db2.gz HPERZFXOFHKJCT-UHFFFAOYSA-N 1 0 396.469 -0.739 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(OC)c1 ZINC000651958640 1072261820 /nfs/dbraw/zinc/26/18/20/1072261820.db2.gz LDXVTHHCFGJCNV-UHFFFAOYSA-N 1 0 378.429 -0.125 20 0 GBADRO Cc1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1C(N)=O ZINC000651958647 1072262812 /nfs/dbraw/zinc/26/28/12/1072262812.db2.gz LMLIQUFWRBLHPH-UHFFFAOYSA-N 1 0 375.429 -0.735 20 0 GBADRO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958649 1072263124 /nfs/dbraw/zinc/26/31/24/1072263124.db2.gz LNWJWCIPNDBZQR-UHFFFAOYSA-N 1 0 375.429 -0.783 20 0 GBADRO COCCOc1ncccc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651958717 1072263948 /nfs/dbraw/zinc/26/39/48/1072263948.db2.gz OVAWVVSVMDTWBH-UHFFFAOYSA-N 1 0 393.444 -0.722 20 0 GBADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651958725 1072263886 /nfs/dbraw/zinc/26/38/86/1072263886.db2.gz PCYHERLFQNMGBI-UHFFFAOYSA-N 1 0 389.456 -0.393 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CC1=O ZINC000651958760 1072263711 /nfs/dbraw/zinc/26/37/11/1072263711.db2.gz QWGZLWRYNAPKIQ-UHFFFAOYSA-N 1 0 386.412 -0.093 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1=O ZINC000651958787 1072263617 /nfs/dbraw/zinc/26/36/17/1072263617.db2.gz SAZHIPZZMCGFHK-UHFFFAOYSA-N 1 0 395.847 -0.390 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1=O ZINC000651958820 1072264546 /nfs/dbraw/zinc/26/45/46/1072264546.db2.gz UBLSCUUGEWTXDK-UHFFFAOYSA-N 1 0 376.461 -0.055 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(OC)n1 ZINC000651958821 1072264698 /nfs/dbraw/zinc/26/46/98/1072264698.db2.gz UDCJFILUXPGZSV-UHFFFAOYSA-N 1 0 379.417 -0.730 20 0 GBADRO COc1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC000651958825 1072264627 /nfs/dbraw/zinc/26/46/27/1072264627.db2.gz UFRWOPIBHWWHHQ-UHFFFAOYSA-N 1 0 378.429 -0.125 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1=O ZINC000651958880 1072265610 /nfs/dbraw/zinc/26/56/10/1072265610.db2.gz WDFJKEAHORTMHA-UHFFFAOYSA-N 1 0 395.847 -0.390 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnco3)c2)CC1=O ZINC000651958931 1072265750 /nfs/dbraw/zinc/26/57/50/1072265750.db2.gz YEPSLQPYIQWEKK-UHFFFAOYSA-N 1 0 386.412 -0.093 20 0 GBADRO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651958969 1072266648 /nfs/dbraw/zinc/26/66/48/1072266648.db2.gz ZRLXECJJFAXRSJ-UHFFFAOYSA-N 1 0 389.456 -0.474 20 0 GBADRO CC[N@H+](CCCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1CCCCC1 ZINC000651978960 530092112 /nfs/dbraw/zinc/09/21/12/530092112.db2.gz PJXBLDNKHKGMRZ-CYBMUJFWSA-N 1 0 376.523 -0.060 20 0 GBADRO CC[N@H+](CCCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1CCCCC1 ZINC000651978961 530092282 /nfs/dbraw/zinc/09/22/82/530092282.db2.gz PJXBLDNKHKGMRZ-ZDUSSCGKSA-N 1 0 376.523 -0.060 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1(C)C ZINC000651993798 1072415704 /nfs/dbraw/zinc/41/57/04/1072415704.db2.gz CSFIDFXPJXOQQA-KRWDZBQOSA-N 1 0 394.491 -0.013 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000651997214 1072449245 /nfs/dbraw/zinc/44/92/45/1072449245.db2.gz IAVPOYQHNBRKLG-UHFFFAOYSA-N 1 0 382.490 -0.945 20 0 GBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@H]3C[C@@H](C(N)=O)C3)ccc2oc1=O ZINC000652018868 1073293242 /nfs/dbraw/zinc/29/32/42/1073293242.db2.gz FAUCIEGEQUZOOI-KLPPZKSPSA-N 1 0 389.412 -0.525 20 0 GBADRO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000652030569 1073337096 /nfs/dbraw/zinc/33/70/96/1073337096.db2.gz IVVHCUSHGZTESN-QZTJIDSGSA-N 1 0 390.484 -0.019 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2(C3CCC3)CC2)cn1 ZINC000652089799 1073359479 /nfs/dbraw/zinc/35/94/79/1073359479.db2.gz LTWPVZUOBWINBI-UHFFFAOYSA-N 1 0 376.461 -0.052 20 0 GBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000652092555 1073360316 /nfs/dbraw/zinc/36/03/16/1073360316.db2.gz OSLXBTRWPUOPGR-IRXDYDNUSA-N 1 0 381.448 -0.192 20 0 GBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652097541 1073360392 /nfs/dbraw/zinc/36/03/92/1073360392.db2.gz JKETTYFCFZJUHU-KRWDZBQOSA-N 1 0 380.514 -0.046 20 0 GBADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000652097554 1073361113 /nfs/dbraw/zinc/36/11/13/1073361113.db2.gz KBNWWJDZWCACIW-UHFFFAOYSA-N 1 0 385.472 -0.347 20 0 GBADRO CCO[C@@H]1CN(C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652124375 1073368164 /nfs/dbraw/zinc/36/81/64/1073368164.db2.gz AKPDNNVMMPHDAO-IAGOWNOFSA-N 1 0 391.520 -0.006 20 0 GBADRO [NH3+]CC1(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000652144643 1073383652 /nfs/dbraw/zinc/38/36/52/1073383652.db2.gz NHKDQNQOOOPBOG-UHFFFAOYSA-N 1 0 375.477 -0.057 20 0 GBADRO CCO[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C[C@H]1C[NH3+] ZINC000652147903 530173556 /nfs/dbraw/zinc/17/35/56/530173556.db2.gz GJBQAEWULVBIHF-CHWSQXEVSA-N 1 0 380.536 -0.630 20 0 GBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652148422 1073469293 /nfs/dbraw/zinc/46/92/93/1073469293.db2.gz YLFJNGINOUMNPH-UHFFFAOYSA-N 1 0 381.400 -0.910 20 0 GBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652149141 1073471304 /nfs/dbraw/zinc/47/13/04/1073471304.db2.gz TVBLDSAVGHJRCL-UHFFFAOYSA-N 1 0 381.400 -0.332 20 0 GBADRO CCO[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000652149982 1073470420 /nfs/dbraw/zinc/47/04/20/1073470420.db2.gz HSDZYOMGTHZMHI-RBSFLKMASA-N 1 0 392.522 -0.520 20 0 GBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3nc4n(c3=O)CCCC4)CC2)C1=O ZINC000652162543 1073473542 /nfs/dbraw/zinc/47/35/42/1073473542.db2.gz SASRJJMUDXJLAA-CQSZACIVSA-N 1 0 376.461 -0.808 20 0 GBADRO CCO[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C[C@H]1C[NH3+] ZINC000652164513 530174408 /nfs/dbraw/zinc/17/44/08/530174408.db2.gz QQRSFCVGNWNCPK-DGCLKSJQSA-N 1 0 375.451 -0.901 20 0 GBADRO CCO[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C[C@H]1C[NH3+] ZINC000652177240 1073476729 /nfs/dbraw/zinc/47/67/29/1073476729.db2.gz DRWSPOSCEDTMOT-QLFBSQMISA-N 1 0 378.477 -0.084 20 0 GBADRO CCO[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)C[C@H]1C[NH3+] ZINC000652177241 1073476851 /nfs/dbraw/zinc/47/68/51/1073476851.db2.gz DRWSPOSCEDTMOT-RBSFLKMASA-N 1 0 378.477 -0.084 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652183254 1073476594 /nfs/dbraw/zinc/47/65/94/1073476594.db2.gz UFQRSTVHQIINCE-KKUMJFAQSA-N 1 0 391.538 -0.253 20 0 GBADRO CCO[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H]1C[NH3+] ZINC000652191738 530175248 /nfs/dbraw/zinc/17/52/48/530175248.db2.gz CUYKAQDPSBBKPS-MGPQQGTHSA-N 1 0 377.511 -0.738 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000652225069 530175164 /nfs/dbraw/zinc/17/51/64/530175164.db2.gz OWROXQHYURHNBB-UHFFFAOYSA-N 1 0 375.539 -0.407 20 0 GBADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000652231044 1073484438 /nfs/dbraw/zinc/48/44/38/1073484438.db2.gz IBLJMUOWTWNWHV-CYBMUJFWSA-N 1 0 385.465 -0.338 20 0 GBADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000652231045 1073484676 /nfs/dbraw/zinc/48/46/76/1073484676.db2.gz IBLJMUOWTWNWHV-ZDUSSCGKSA-N 1 0 385.465 -0.338 20 0 GBADRO [NH3+]CC1(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000652243398 530175060 /nfs/dbraw/zinc/17/50/60/530175060.db2.gz RGROKAKVGUIRKD-UHFFFAOYSA-N 1 0 375.495 -0.980 20 0 GBADRO [NH3+]Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c(F)c1 ZINC000652268594 1073489485 /nfs/dbraw/zinc/48/94/85/1073489485.db2.gz DMTYPRAAMGBHDW-UHFFFAOYSA-N 1 0 385.465 -0.587 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CC3(CCC3)C2)cn1 ZINC000652275792 1073489242 /nfs/dbraw/zinc/48/92/42/1073489242.db2.gz WNYJXMVLJQUVIB-UHFFFAOYSA-N 1 0 376.461 -0.052 20 0 GBADRO [NH3+]Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(F)c1 ZINC000652276139 1073489277 /nfs/dbraw/zinc/48/92/77/1073489277.db2.gz ITZQSSXCUIKWSG-UHFFFAOYSA-N 1 0 393.463 -0.030 20 0 GBADRO [NH3+]Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(F)c1 ZINC000652280814 1073489361 /nfs/dbraw/zinc/48/93/61/1073489361.db2.gz BIUWDTDXKLXVIA-UHFFFAOYSA-N 1 0 377.420 -0.083 20 0 GBADRO [NH3+]Cc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(F)c1 ZINC000652281046 1073489413 /nfs/dbraw/zinc/48/94/13/1073489413.db2.gz LCZNUNCBDARHKU-UHFFFAOYSA-N 1 0 376.396 -0.675 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000652282836 1073490694 /nfs/dbraw/zinc/49/06/94/1073490694.db2.gz OAXDKNRURGOROL-UHFFFAOYSA-N 1 0 387.550 -0.120 20 0 GBADRO C[N@H+](CCCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000652283042 530175966 /nfs/dbraw/zinc/17/59/66/530175966.db2.gz ZPOTURJKUXOVTG-UHFFFAOYSA-N 1 0 375.539 -0.263 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000652287520 1073490287 /nfs/dbraw/zinc/49/02/87/1073490287.db2.gz ZHKPITFGZSOIJJ-UHFFFAOYSA-N 1 0 377.489 -0.004 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cn1 ZINC000652291779 1073491499 /nfs/dbraw/zinc/49/14/99/1073491499.db2.gz HIDWSCZVSNVBOU-UHFFFAOYSA-N 1 0 394.476 -0.472 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N=c1ccn(CCN2CCOCC2)[nH]1 ZINC000652291861 1073491570 /nfs/dbraw/zinc/49/15/70/1073491570.db2.gz KXXBIYMSCUBRQZ-UHFFFAOYSA-N 1 0 392.504 -0.480 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000652291898 1073491255 /nfs/dbraw/zinc/49/12/55/1073491255.db2.gz MWNLAZWATRIGBW-UHFFFAOYSA-N 1 0 381.502 -0.465 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000652294059 1073492471 /nfs/dbraw/zinc/49/24/71/1073492471.db2.gz NKIGPKPUMFXBNM-UHFFFAOYSA-N 1 0 389.456 -0.216 20 0 GBADRO O=C(NCCC1CC[NH2+]CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000652309638 1073494979 /nfs/dbraw/zinc/49/49/79/1073494979.db2.gz GOTMRGFWANEANO-UHFFFAOYSA-N 1 0 389.522 -0.720 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652313192 1073496070 /nfs/dbraw/zinc/49/60/70/1073496070.db2.gz MFYWAQYSXRIPPW-UHFFFAOYSA-N 1 0 379.461 -0.621 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000652320364 1073497955 /nfs/dbraw/zinc/49/79/55/1073497955.db2.gz ZOKPDAAALOXKNB-UHFFFAOYSA-N 1 0 379.465 -0.952 20 0 GBADRO C[NH+]1CCC(n2ccc(=NC(=O)C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)[nH]2)CC1 ZINC000652329448 1073498762 /nfs/dbraw/zinc/49/87/62/1073498762.db2.gz WIVYTCRFNRUZTC-HUUCEWRRSA-N 1 0 391.472 -0.085 20 0 GBADRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000652336955 1073499827 /nfs/dbraw/zinc/49/98/27/1073499827.db2.gz UHVXVJCSXOIOHG-KRWDZBQOSA-N 1 0 387.502 -0.020 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349225 1073502686 /nfs/dbraw/zinc/50/26/86/1073502686.db2.gz GVOFHTZXABAHIW-RFGFWPKPSA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349226 1073502662 /nfs/dbraw/zinc/50/26/62/1073502662.db2.gz GVOFHTZXABAHIW-RQJABVFESA-N 1 0 393.488 -0.544 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349227 1073502780 /nfs/dbraw/zinc/50/27/80/1073502780.db2.gz GVOFHTZXABAHIW-XJFOESAGSA-N 1 0 393.488 -0.544 20 0 GBADRO Cn1c(N)c(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349625 1073502842 /nfs/dbraw/zinc/50/28/42/1073502842.db2.gz VYGKLLDSHDTSGU-OBJOEFQTSA-N 1 0 379.461 -0.933 20 0 GBADRO Cn1c(N)c(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349626 1073504025 /nfs/dbraw/zinc/50/40/25/1073504025.db2.gz VYGKLLDSHDTSGU-OUCADQQQSA-N 1 0 379.461 -0.933 20 0 GBADRO Cn1c(N)c(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349628 1073504112 /nfs/dbraw/zinc/50/41/12/1073504112.db2.gz VYGKLLDSHDTSGU-SGMGOOAPSA-N 1 0 379.461 -0.933 20 0 GBADRO C[C@@H]1CCCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@H]1CC[NH3+] ZINC000652355120 1073504635 /nfs/dbraw/zinc/50/46/35/1073504635.db2.gz PPSFADSCXKRUJV-BRWVUGGUSA-N 1 0 386.562 -0.233 20 0 GBADRO CCO[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C[C@H]1C[NH3+] ZINC000652356786 1073504693 /nfs/dbraw/zinc/50/46/93/1073504693.db2.gz HLAFJUUXFOUXBG-IAQYHMDHSA-N 1 0 386.474 -0.423 20 0 GBADRO CCO[C@@H]1CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356927 530178318 /nfs/dbraw/zinc/17/83/18/530178318.db2.gz QQXRFBHZOYGTIW-HUUCEWRRSA-N 1 0 378.539 -0.542 20 0 GBADRO CCO[C@@H]1CN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652357856 1073504892 /nfs/dbraw/zinc/50/48/92/1073504892.db2.gz IAUDBXBALZRZGC-YSVLISHTSA-N 1 0 398.529 -0.323 20 0 GBADRO CCO[C@@H]1CN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652357954 1073504841 /nfs/dbraw/zinc/50/48/41/1073504841.db2.gz RBYZKXZTCNWHKA-DXCKQFNASA-N 1 0 396.513 -0.093 20 0 GBADRO CCO[C@@H]1CN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C[C@H]1C[NH3+] ZINC000652357955 1073504861 /nfs/dbraw/zinc/50/48/61/1073504861.db2.gz RBYZKXZTCNWHKA-SUYBPPKGSA-N 1 0 396.513 -0.093 20 0 GBADRO CCO[C@@H]1CN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652358168 530178424 /nfs/dbraw/zinc/17/84/24/530178424.db2.gz IMKBAGGRVWHOIP-BZUAXINKSA-N 1 0 375.535 -0.046 20 0 GBADRO CCO[C@@H]1CN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652358169 530178408 /nfs/dbraw/zinc/17/84/08/530178408.db2.gz IMKBAGGRVWHOIP-OWCLPIDISA-N 1 0 375.535 -0.046 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652374111 530178654 /nfs/dbraw/zinc/17/86/54/530178654.db2.gz JNOCSRDPKWQLCK-KKUMJFAQSA-N 1 0 397.563 -0.184 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652374112 530178660 /nfs/dbraw/zinc/17/86/60/530178660.db2.gz JNOCSRDPKWQLCK-RRFJBIMHSA-N 1 0 397.563 -0.184 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652374113 530178867 /nfs/dbraw/zinc/17/88/67/530178867.db2.gz JNOCSRDPKWQLCK-SOUVJXGZSA-N 1 0 397.563 -0.184 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652374114 530179075 /nfs/dbraw/zinc/17/90/75/530179075.db2.gz JNOCSRDPKWQLCK-ZNMIVQPWSA-N 1 0 397.563 -0.184 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652375100 530178924 /nfs/dbraw/zinc/17/89/24/530178924.db2.gz IPBOUQZATRUPPO-BFHYXJOUSA-N 1 0 383.536 -0.526 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652375101 530178757 /nfs/dbraw/zinc/17/87/57/530178757.db2.gz IPBOUQZATRUPPO-IHRRRGAJSA-N 1 0 383.536 -0.526 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652375102 530179024 /nfs/dbraw/zinc/17/90/24/530179024.db2.gz IPBOUQZATRUPPO-MELADBBJSA-N 1 0 383.536 -0.526 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652375103 530178609 /nfs/dbraw/zinc/17/86/09/530178609.db2.gz IPBOUQZATRUPPO-MJBXVCDLSA-N 1 0 383.536 -0.526 20 0 GBADRO Cn1c2ncc(S(=O)(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2c(=O)[nH]c1=O ZINC000652376310 1073506720 /nfs/dbraw/zinc/50/67/20/1073506720.db2.gz DEMDFARWEWWQIU-QFYYESIMSA-N 1 0 379.442 -0.216 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000652379361 530179548 /nfs/dbraw/zinc/17/95/48/530179548.db2.gz AZUZKBHOJGYZQR-IUODEOHRSA-N 1 0 391.515 -0.079 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000652379476 530179593 /nfs/dbraw/zinc/17/95/93/530179593.db2.gz MTESPMCGLCQQFB-IUODEOHRSA-N 1 0 391.515 -0.079 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652379672 530179261 /nfs/dbraw/zinc/17/92/61/530179261.db2.gz CQEFRFJVQFHXFP-UKRRQHHQSA-N 1 0 391.515 -0.410 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1C[NH3+] ZINC000652379746 1073508301 /nfs/dbraw/zinc/50/83/01/1073508301.db2.gz IWFPORAWERNDTD-BXKDBHETSA-N 1 0 383.430 -0.982 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C[C@H]1C[NH3+] ZINC000652379828 530179432 /nfs/dbraw/zinc/17/94/32/530179432.db2.gz OFTYOPXXOGBRFS-TZMCWYRMSA-N 1 0 391.515 -0.113 20 0 GBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000652379912 1073507998 /nfs/dbraw/zinc/50/79/98/1073507998.db2.gz VLNNIFOPDUMWGO-SJORKVTESA-N 1 0 381.448 -0.192 20 0 GBADRO CCO[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652379964 530179229 /nfs/dbraw/zinc/17/92/29/530179229.db2.gz YXOQCIDPXQGGJG-CHWSQXEVSA-N 1 0 391.515 -0.079 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652383605 530179525 /nfs/dbraw/zinc/17/95/25/530179525.db2.gz ARCXWBLMIGOTPB-KFWWJZLASA-N 1 0 397.563 -0.042 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652383606 530179204 /nfs/dbraw/zinc/17/92/04/530179204.db2.gz ARCXWBLMIGOTPB-RBSFLKMASA-N 1 0 397.563 -0.042 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652383607 530179591 /nfs/dbraw/zinc/17/95/91/530179591.db2.gz ARCXWBLMIGOTPB-RRFJBIMHSA-N 1 0 397.563 -0.042 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652383608 530179515 /nfs/dbraw/zinc/17/95/15/530179515.db2.gz ARCXWBLMIGOTPB-ZNMIVQPWSA-N 1 0 397.563 -0.042 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652384241 530179290 /nfs/dbraw/zinc/17/92/90/530179290.db2.gz URMHULLZINTWST-BFHYXJOUSA-N 1 0 383.536 -0.384 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652384242 530179199 /nfs/dbraw/zinc/17/91/99/530179199.db2.gz URMHULLZINTWST-MCIONIFRSA-N 1 0 383.536 -0.384 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652384243 530179437 /nfs/dbraw/zinc/17/94/37/530179437.db2.gz URMHULLZINTWST-MGPQQGTHSA-N 1 0 383.536 -0.384 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652384244 530179595 /nfs/dbraw/zinc/17/95/95/530179595.db2.gz URMHULLZINTWST-MJBXVCDLSA-N 1 0 383.536 -0.384 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000652384542 1073507357 /nfs/dbraw/zinc/50/73/57/1073507357.db2.gz CLUCBQOATYAQIQ-JHJVBQTASA-N 1 0 386.474 -0.867 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000652384544 1073507516 /nfs/dbraw/zinc/50/75/16/1073507516.db2.gz CLUCBQOATYAQIQ-XQQFMLRXSA-N 1 0 386.474 -0.867 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000652384545 1073507759 /nfs/dbraw/zinc/50/77/59/1073507759.db2.gz CLUCBQOATYAQIQ-YNEHKIRRSA-N 1 0 386.474 -0.867 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N(CCO)Cc2ccccc2)CC1=O ZINC000652387652 1073509377 /nfs/dbraw/zinc/50/93/77/1073509377.db2.gz HRDKBXNTRCPSNQ-UHFFFAOYSA-N 1 0 376.457 -0.760 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652393486 1073509871 /nfs/dbraw/zinc/50/98/71/1073509871.db2.gz GFISGAMAAHLHBS-UHFFFAOYSA-N 1 0 381.521 -0.401 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000652393630 1073510329 /nfs/dbraw/zinc/51/03/29/1073510329.db2.gz KINGJGDBXAEPDK-UHFFFAOYSA-N 1 0 383.537 -0.251 20 0 GBADRO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652394260 1073509766 /nfs/dbraw/zinc/50/97/66/1073509766.db2.gz SKWJGBQEEAVOPR-UHFFFAOYSA-N 1 0 390.440 -0.394 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000652394368 1073509811 /nfs/dbraw/zinc/50/98/11/1073509811.db2.gz BQAOHJHRDUHLHN-UHFFFAOYSA-N 1 0 379.505 -0.647 20 0 GBADRO CN(CCOc1ccccc1F)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652395536 1073509276 /nfs/dbraw/zinc/50/92/76/1073509276.db2.gz ADARRQOLNLIAAX-UHFFFAOYSA-N 1 0 394.447 -0.105 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(Cc3ccco3)CC2)CC1=O ZINC000652396365 1073509472 /nfs/dbraw/zinc/50/94/72/1073509472.db2.gz SIYCSXMXTQOPKH-UHFFFAOYSA-N 1 0 391.472 -0.844 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652397268 1073509895 /nfs/dbraw/zinc/50/98/95/1073509895.db2.gz HNQDNWGJCIYTBI-INIZCTEOSA-N 1 0 393.532 -0.258 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652397269 1073510120 /nfs/dbraw/zinc/51/01/20/1073510120.db2.gz HNQDNWGJCIYTBI-MRXNPFEDSA-N 1 0 393.532 -0.258 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000652397331 1073510439 /nfs/dbraw/zinc/51/04/39/1073510439.db2.gz NCSRVRLTADAYHE-INIZCTEOSA-N 1 0 395.548 -0.108 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000652397332 1073510062 /nfs/dbraw/zinc/51/00/62/1073510062.db2.gz NCSRVRLTADAYHE-MRXNPFEDSA-N 1 0 395.548 -0.108 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCOCCOC)CC2)C1 ZINC000652399992 1073511047 /nfs/dbraw/zinc/51/10/47/1073511047.db2.gz QQTNSUJQWLBXAG-QGZVFWFLSA-N 1 0 384.521 -0.264 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652400646 1073510902 /nfs/dbraw/zinc/51/09/02/1073510902.db2.gz ITDAUTKKZVSXDZ-QGZVFWFLSA-N 1 0 395.548 -0.010 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000652404449 1073510868 /nfs/dbraw/zinc/51/08/68/1073510868.db2.gz VEQRUBOEAQNGLN-HNNXBMFYSA-N 1 0 390.550 -0.132 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000652404450 1073511214 /nfs/dbraw/zinc/51/12/14/1073511214.db2.gz VEQRUBOEAQNGLN-OAHLLOKOSA-N 1 0 390.550 -0.132 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000652404465 1073511024 /nfs/dbraw/zinc/51/10/24/1073511024.db2.gz WXQKFOQIRWUHMW-OAHLLOKOSA-N 1 0 388.534 -0.282 20 0 GBADRO CN(Cc1nccn1C(F)F)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652405218 1073512209 /nfs/dbraw/zinc/51/22/09/1073512209.db2.gz RMVLGBDKFXWTLI-UHFFFAOYSA-N 1 0 386.403 -0.531 20 0 GBADRO COCCN(Cc1ccco1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652408910 1073512625 /nfs/dbraw/zinc/51/26/25/1073512625.db2.gz MDUBITJOVIUVRI-UHFFFAOYSA-N 1 0 380.445 -0.513 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000652410480 1073513657 /nfs/dbraw/zinc/51/36/57/1073513657.db2.gz RGOCVXJZKJFFIV-UHFFFAOYSA-N 1 0 395.504 -0.970 20 0 GBADRO C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652411267 1073514503 /nfs/dbraw/zinc/51/45/03/1073514503.db2.gz WBTNYNVPJUWHIC-INIZCTEOSA-N 1 0 390.484 -0.372 20 0 GBADRO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652411268 1073514727 /nfs/dbraw/zinc/51/47/27/1073514727.db2.gz WBTNYNVPJUWHIC-MRXNPFEDSA-N 1 0 390.484 -0.372 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1=O ZINC000652411726 1073514151 /nfs/dbraw/zinc/51/41/51/1073514151.db2.gz KTLOTDWOSXHBOF-AWEZNQCLSA-N 1 0 376.461 -0.652 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1=O ZINC000652411727 1073514301 /nfs/dbraw/zinc/51/43/01/1073514301.db2.gz KTLOTDWOSXHBOF-CQSZACIVSA-N 1 0 376.461 -0.652 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCOC3(CCCCC3)C2)CC1=O ZINC000652412044 1073514575 /nfs/dbraw/zinc/51/45/75/1073514575.db2.gz JAZDEFBMXUECNQ-UHFFFAOYSA-N 1 0 380.489 -0.220 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000652414540 1073515309 /nfs/dbraw/zinc/51/53/09/1073515309.db2.gz FWYUAUBTEOWFBU-UHFFFAOYSA-N 1 0 398.548 -0.016 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000652418641 1073515229 /nfs/dbraw/zinc/51/52/29/1073515229.db2.gz CRSCEZWZDBXRPI-KRWDZBQOSA-N 1 0 398.548 -0.018 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000652418642 1073515979 /nfs/dbraw/zinc/51/59/79/1073515979.db2.gz CRSCEZWZDBXRPI-QGZVFWFLSA-N 1 0 398.548 -0.018 20 0 GBADRO COc1ccc2c(c1)CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000652419440 1073515558 /nfs/dbraw/zinc/51/55/58/1073515558.db2.gz VVRCPAVQQLPCPH-UHFFFAOYSA-N 1 0 388.468 -0.188 20 0 GBADRO CCc1nc(CN(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cs1 ZINC000652420551 1073515835 /nfs/dbraw/zinc/51/58/35/1073515835.db2.gz UYDOVBSTEYFXOU-UHFFFAOYSA-N 1 0 381.502 -0.104 20 0 GBADRO O=C(Cn1nc2n(c1=O)CCCC2)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000652421270 1073516339 /nfs/dbraw/zinc/51/63/39/1073516339.db2.gz IRFDFBMSIBILPX-AWEZNQCLSA-N 1 0 376.461 -0.806 20 0 GBADRO O=C(Cn1nc2n(c1=O)CCCC2)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000652421271 1073517019 /nfs/dbraw/zinc/51/70/19/1073517019.db2.gz IRFDFBMSIBILPX-CQSZACIVSA-N 1 0 376.461 -0.806 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1=O ZINC000652426339 1073515951 /nfs/dbraw/zinc/51/59/51/1073515951.db2.gz VSAOYMACRKFWAD-AWEZNQCLSA-N 1 0 376.461 -0.304 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1=O ZINC000652426340 1073515255 /nfs/dbraw/zinc/51/52/55/1073515255.db2.gz VSAOYMACRKFWAD-CQSZACIVSA-N 1 0 376.461 -0.304 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1 ZINC000652430144 1073516779 /nfs/dbraw/zinc/51/67/79/1073516779.db2.gz PKKUUZAZTSQQOM-KRWDZBQOSA-N 1 0 393.488 -0.146 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000652430145 1073516996 /nfs/dbraw/zinc/51/69/96/1073516996.db2.gz PKKUUZAZTSQQOM-QGZVFWFLSA-N 1 0 393.488 -0.146 20 0 GBADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652431344 1073517058 /nfs/dbraw/zinc/51/70/58/1073517058.db2.gz JEWMMGPSLRDUCO-UHFFFAOYSA-N 1 0 379.509 -0.532 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000652433493 1073516842 /nfs/dbraw/zinc/51/68/42/1073516842.db2.gz QHQIEEBPXUOYKY-KRWDZBQOSA-N 1 0 382.505 -0.511 20 0 GBADRO COc1ccccc1CCN(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652435059 1073517716 /nfs/dbraw/zinc/51/77/16/1073517716.db2.gz LFPUUPVJPQCBCA-UHFFFAOYSA-N 1 0 390.484 -0.072 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCc3ccc(F)cc3C2)CC1=O ZINC000652446598 1073519146 /nfs/dbraw/zinc/51/91/46/1073519146.db2.gz NGJLXQPJFNOLAW-UHFFFAOYSA-N 1 0 376.432 -0.057 20 0 GBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652447999 530180607 /nfs/dbraw/zinc/18/06/07/530180607.db2.gz NJLRXACESDWKQB-AWEZNQCLSA-N 1 0 376.523 -0.379 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652448000 530180760 /nfs/dbraw/zinc/18/07/60/530180760.db2.gz NJLRXACESDWKQB-CQSZACIVSA-N 1 0 376.523 -0.379 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)CC1=O ZINC000652451035 1073519735 /nfs/dbraw/zinc/51/97/35/1073519735.db2.gz PFBSFFWJJSPZGP-UHFFFAOYSA-N 1 0 376.461 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ZINC000652456977 1073519893 /nfs/dbraw/zinc/51/98/93/1073519893.db2.gz VBWZUVSWYPHBIN-UHFFFAOYSA-N 1 0 391.472 -0.975 20 0 GBADRO COCCCOC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652457017 1073520563 /nfs/dbraw/zinc/52/05/63/1073520563.db2.gz XWQISSBEFJJNGG-UHFFFAOYSA-N 1 0 398.504 -0.737 20 0 GBADRO Cc1ccc(CN(CCO)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000652457220 1073520609 /nfs/dbraw/zinc/52/06/09/1073520609.db2.gz TWDRPZVALWBFGD-UHFFFAOYSA-N 1 0 390.484 -0.452 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000652459388 1073520895 /nfs/dbraw/zinc/52/08/95/1073520895.db2.gz MZGBQZFWDCSSOI-QGZVFWFLSA-N 1 0 384.521 -0.408 20 0 GBADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@H](C)C1 ZINC000652459736 1073521484 /nfs/dbraw/zinc/52/14/84/1073521484.db2.gz JGQDKRLXXOZQEC-HZPDHXFCSA-N 1 0 381.521 -0.593 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@]3(CCCOC3)C2)CC1=O ZINC000652459788 1073521048 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C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@]2(CCCOC2)O1 ZINC000652476803 1073524888 /nfs/dbraw/zinc/52/48/88/1073524888.db2.gz GAHUVAXQJQXXPM-HNAYVOBHSA-N 1 0 396.488 -0.985 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@]2(CCCOC2)O1 ZINC000652476804 1073524717 /nfs/dbraw/zinc/52/47/17/1073524717.db2.gz GAHUVAXQJQXXPM-KXBFYZLASA-N 1 0 396.488 -0.985 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@]2(CCOC2)O1 ZINC000652476862 1073524389 /nfs/dbraw/zinc/52/43/89/1073524389.db2.gz JKHCLPIVNBTXPF-BEFAXECRSA-N 1 0 396.488 -0.985 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@]2(CCOC2)O1 ZINC000652476863 1073524377 /nfs/dbraw/zinc/52/43/77/1073524377.db2.gz JKHCLPIVNBTXPF-DNVCBOLYSA-N 1 0 396.488 -0.985 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@]2(CCOC2)O1 ZINC000652476864 1073524505 /nfs/dbraw/zinc/52/45/05/1073524505.db2.gz JKHCLPIVNBTXPF-HNAYVOBHSA-N 1 0 396.488 -0.985 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@]2(CCOC2)O1 ZINC000652476865 1073524597 /nfs/dbraw/zinc/52/45/97/1073524597.db2.gz JKHCLPIVNBTXPF-KXBFYZLASA-N 1 0 396.488 -0.985 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000652477395 1073524926 /nfs/dbraw/zinc/52/49/26/1073524926.db2.gz XDVPRJCOZTUHKK-UHFFFAOYSA-N 1 0 381.506 -0.456 20 0 GBADRO CN(Cc1cc(Cl)cn1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477932 1073525985 /nfs/dbraw/zinc/52/59/85/1073525985.db2.gz WKKNXTWUDIBPET-UHFFFAOYSA-N 1 0 383.880 -0.131 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1n1ccnc1 ZINC000652478573 1073525881 /nfs/dbraw/zinc/52/58/81/1073525881.db2.gz LAZCIMPJKJVNJH-CVEARBPZSA-N 1 0 390.488 -0.475 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1n1ccnc1 ZINC000652478574 1073526090 /nfs/dbraw/zinc/52/60/90/1073526090.db2.gz LAZCIMPJKJVNJH-HOTGVXAUSA-N 1 0 390.488 -0.475 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H]1n1ccnc1 ZINC000652478576 1073526121 /nfs/dbraw/zinc/52/61/21/1073526121.db2.gz LAZCIMPJKJVNJH-JKSUJKDBSA-N 1 0 390.488 -0.475 20 0 GBADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652478766 1073525822 /nfs/dbraw/zinc/52/58/22/1073525822.db2.gz WYSMBMSHWCPINO-INIZCTEOSA-N 1 0 390.488 -0.376 20 0 GBADRO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652478767 1073525716 /nfs/dbraw/zinc/52/57/16/1073525716.db2.gz WYSMBMSHWCPINO-MRXNPFEDSA-N 1 0 390.488 -0.376 20 0 GBADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652479471 1073524872 /nfs/dbraw/zinc/52/48/72/1073524872.db2.gz RONSDNCOMZBWJL-HNNXBMFYSA-N 1 0 390.488 -0.078 20 0 GBADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652479472 1073524302 /nfs/dbraw/zinc/52/43/02/1073524302.db2.gz RONSDNCOMZBWJL-OAHLLOKOSA-N 1 0 390.488 -0.078 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000652479579 1073524807 /nfs/dbraw/zinc/52/48/07/1073524807.db2.gz FOALVYYNTIGCNN-MSOLQXFVSA-N 1 0 396.532 -0.264 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000652479580 1073525033 /nfs/dbraw/zinc/52/50/33/1073525033.db2.gz FOALVYYNTIGCNN-QZTJIDSGSA-N 1 0 396.532 -0.264 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000652479581 1073524405 /nfs/dbraw/zinc/52/44/05/1073524405.db2.gz FOALVYYNTIGCNN-ROUUACIJSA-N 1 0 396.532 -0.264 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000652479582 1073524456 /nfs/dbraw/zinc/52/44/56/1073524456.db2.gz FOALVYYNTIGCNN-ZWKOTPCHSA-N 1 0 396.532 -0.264 20 0 GBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[C@@H](C)O2 ZINC000652483347 1073525852 /nfs/dbraw/zinc/52/58/52/1073525852.db2.gz SSJGDBSJPDLOOE-SPYBWZPUSA-N 1 0 396.488 -0.986 20 0 GBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[C@@H](C)O2 ZINC000652483348 1073525745 /nfs/dbraw/zinc/52/57/45/1073525745.db2.gz SSJGDBSJPDLOOE-VCBZYWHSSA-N 1 0 396.488 -0.986 20 0 GBADRO CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652483368 1073525333 /nfs/dbraw/zinc/52/53/33/1073525333.db2.gz UHPPAEWRUKRVSM-IBGZPJMESA-N 1 0 382.505 -0.382 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCOCC3(CCCC3)C2)CC1=O ZINC000652483391 1073525640 /nfs/dbraw/zinc/52/56/40/1073525640.db2.gz WXAOOLKBUOHYBP-UHFFFAOYSA-N 1 0 380.489 -0.362 20 0 GBADRO COCC[C@H]1CCCCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000652483684 1073525393 /nfs/dbraw/zinc/52/53/93/1073525393.db2.gz XFQAAGILWQAIOP-MRXNPFEDSA-N 1 0 382.505 -0.116 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1=O ZINC000652483787 1073525664 /nfs/dbraw/zinc/52/56/64/1073525664.db2.gz QBXWCUPUTZATNT-UHFFFAOYSA-N 1 0 398.529 -0.657 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1=O ZINC000652483791 1073526529 /nfs/dbraw/zinc/52/65/29/1073526529.db2.gz RBFUQSNCHNWSHW-UHFFFAOYSA-N 1 0 396.488 -0.983 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652484135 1073527239 /nfs/dbraw/zinc/52/72/39/1073527239.db2.gz KLOKHOYZIPTMSL-DLBZAZTESA-N 1 0 385.505 -0.197 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652484136 1073526786 /nfs/dbraw/zinc/52/67/86/1073526786.db2.gz KLOKHOYZIPTMSL-IAGOWNOFSA-N 1 0 385.505 -0.197 20 0 GBADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652484137 1073526501 /nfs/dbraw/zinc/52/65/01/1073526501.db2.gz KLOKHOYZIPTMSL-IRXDYDNUSA-N 1 0 385.505 -0.197 20 0 GBADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652484138 1073527178 /nfs/dbraw/zinc/52/71/78/1073527178.db2.gz KLOKHOYZIPTMSL-SJORKVTESA-N 1 0 385.505 -0.197 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000652484211 1073526766 /nfs/dbraw/zinc/52/67/66/1073526766.db2.gz WGBOQLQPHRNQRP-UHFFFAOYSA-N 1 0 384.521 -0.264 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000652486171 1073526884 /nfs/dbraw/zinc/52/68/84/1073526884.db2.gz LJEGMDGPWUUMHP-KRWDZBQOSA-N 1 0 384.521 -0.217 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000652486172 1073526721 /nfs/dbraw/zinc/52/67/21/1073526721.db2.gz LJEGMDGPWUUMHP-QGZVFWFLSA-N 1 0 384.521 -0.217 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000652486193 1073526828 /nfs/dbraw/zinc/52/68/28/1073526828.db2.gz PJSHQOQDVDWSLI-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652487080 1073526472 /nfs/dbraw/zinc/52/64/72/1073526472.db2.gz PPIAIWZDOUHAGU-UHFFFAOYSA-N 1 0 392.504 -0.363 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000652487167 1073526639 /nfs/dbraw/zinc/52/66/39/1073526639.db2.gz UTOCZZHJZQAZDT-KRWDZBQOSA-N 1 0 384.521 -0.265 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000652487168 1073527096 /nfs/dbraw/zinc/52/70/96/1073527096.db2.gz UTOCZZHJZQAZDT-QGZVFWFLSA-N 1 0 384.521 -0.265 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000652492040 1073527784 /nfs/dbraw/zinc/52/77/84/1073527784.db2.gz UHLXDKSFRJOIGN-DOMZBBRYSA-N 1 0 380.420 -0.505 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000652492072 1073527481 /nfs/dbraw/zinc/52/74/81/1073527481.db2.gz WADMEJIDANESCV-BBRMVZONSA-N 1 0 394.447 -0.576 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC000652492073 1073528177 /nfs/dbraw/zinc/52/81/77/1073528177.db2.gz WADMEJIDANESCV-CJNGLKHVSA-N 1 0 394.447 -0.576 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000652493588 530181250 /nfs/dbraw/zinc/18/12/50/530181250.db2.gz GIQIANFEONLLNR-UHFFFAOYSA-N 1 0 376.523 -0.426 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1=O ZINC000652493757 1073528419 /nfs/dbraw/zinc/52/84/19/1073528419.db2.gz LBFYFEQMIROEPL-KRWDZBQOSA-N 1 0 388.468 -0.101 20 0 GBADRO CCCN(C(=O)C(=O)N1CCN(CCOCCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000652494294 1073527133 /nfs/dbraw/zinc/52/71/33/1073527133.db2.gz BRZNYJZLKJNCRB-KRWDZBQOSA-N 1 0 384.521 -0.264 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC2(CCCC2)O1 ZINC000652495037 1073526965 /nfs/dbraw/zinc/52/69/65/1073526965.db2.gz JKCPUWJZLMTKPP-HNNXBMFYSA-N 1 0 380.489 -0.221 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC2(CCCC2)O1 ZINC000652495038 1073526866 /nfs/dbraw/zinc/52/68/66/1073526866.db2.gz JKCPUWJZLMTKPP-OAHLLOKOSA-N 1 0 380.489 -0.221 20 0 GBADRO CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505314 1073527698 /nfs/dbraw/zinc/52/76/98/1073527698.db2.gz BBEFGBPJYIONBY-KRWDZBQOSA-N 1 0 390.484 -0.719 20 0 GBADRO CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505315 1073527807 /nfs/dbraw/zinc/52/78/07/1073527807.db2.gz BBEFGBPJYIONBY-QGZVFWFLSA-N 1 0 390.484 -0.719 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC3(CCOCC3)CC2)CC1=O ZINC000652505488 1073528252 /nfs/dbraw/zinc/52/82/52/1073528252.db2.gz YHFMRMXENHVPBK-UHFFFAOYSA-N 1 0 380.489 -0.362 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H](C)CO1 ZINC000652517857 1073528710 /nfs/dbraw/zinc/52/87/10/1073528710.db2.gz YAMDJZBFZWZONT-CVEARBPZSA-N 1 0 380.489 -0.221 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H](C)CO1 ZINC000652517858 1073529105 /nfs/dbraw/zinc/52/91/05/1073529105.db2.gz YAMDJZBFZWZONT-HOTGVXAUSA-N 1 0 380.489 -0.221 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@@H](C)CO1 ZINC000652519871 1073528343 /nfs/dbraw/zinc/52/83/43/1073528343.db2.gz ZPLZTDGGTDAZSD-ARFHVFGLSA-N 1 0 380.489 -0.223 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@H](C)CO1 ZINC000652519872 1073528002 /nfs/dbraw/zinc/52/80/02/1073528002.db2.gz ZPLZTDGGTDAZSD-BZUAXINKSA-N 1 0 380.489 -0.223 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@H](C)CO1 ZINC000652519873 1073528037 /nfs/dbraw/zinc/52/80/37/1073528037.db2.gz ZPLZTDGGTDAZSD-OAGGEKHMSA-N 1 0 380.489 -0.223 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@@H](C)CO1 ZINC000652519874 1073527833 /nfs/dbraw/zinc/52/78/33/1073527833.db2.gz ZPLZTDGGTDAZSD-XHSDSOJGSA-N 1 0 380.489 -0.223 20 0 GBADRO CCn1cc(CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C(C)C)cn1 ZINC000652527652 1073529664 /nfs/dbraw/zinc/52/96/64/1073529664.db2.gz XKCUSRJBARJSTR-UHFFFAOYSA-N 1 0 392.504 -0.128 20 0 GBADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000652542205 1073533492 /nfs/dbraw/zinc/53/34/92/1073533492.db2.gz QXPCTAZSAGFNOZ-MRXNPFEDSA-N 1 0 391.472 -0.357 20 0 GBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)O1 ZINC000652543225 1073531534 /nfs/dbraw/zinc/53/15/34/1073531534.db2.gz NIEUYGFZSHJALM-HLLBOEOZSA-N 1 0 393.488 -0.112 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)N1CCO ZINC000652543427 1073531134 /nfs/dbraw/zinc/53/11/34/1073531134.db2.gz QBYQCTXOXUVYHS-IJEWVQPXSA-N 1 0 379.461 -0.767 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)C[C@H](C)N1CCO ZINC000652543428 1073531488 /nfs/dbraw/zinc/53/14/88/1073531488.db2.gz QBYQCTXOXUVYHS-LZWOXQAQSA-N 1 0 379.461 -0.767 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543594 1073532099 /nfs/dbraw/zinc/53/20/99/1073532099.db2.gz UEBDEBPTRVBUBO-KRWDZBQOSA-N 1 0 394.520 -0.338 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543595 1073532177 /nfs/dbraw/zinc/53/21/77/1073532177.db2.gz UEBDEBPTRVBUBO-QGZVFWFLSA-N 1 0 394.520 -0.338 20 0 GBADRO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000652544538 1073533654 /nfs/dbraw/zinc/53/36/54/1073533654.db2.gz MZDBMBHWXBHENQ-KRWDZBQOSA-N 1 0 393.488 -0.375 20 0 GBADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000652544539 1073533109 /nfs/dbraw/zinc/53/31/09/1073533109.db2.gz MZDBMBHWXBHENQ-QGZVFWFLSA-N 1 0 393.488 -0.375 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652544572 1073533537 /nfs/dbraw/zinc/53/35/37/1073533537.db2.gz NONVBYCEYSEILQ-KRWDZBQOSA-N 1 0 392.504 -0.584 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652544573 1073533667 /nfs/dbraw/zinc/53/36/67/1073533667.db2.gz NONVBYCEYSEILQ-QGZVFWFLSA-N 1 0 392.504 -0.584 20 0 GBADRO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000652544933 1073534508 /nfs/dbraw/zinc/53/45/08/1073534508.db2.gz UZUHBVKINAXFJG-KRWDZBQOSA-N 1 0 393.488 -0.111 20 0 GBADRO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000652544934 1073534481 /nfs/dbraw/zinc/53/44/81/1073534481.db2.gz UZUHBVKINAXFJG-QGZVFWFLSA-N 1 0 393.488 -0.111 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 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SSICUOPGMZDGIO-ZWNOBZJWSA-N 1 0 387.433 -0.010 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1C[NH3+] ZINC000652636055 1073552141 /nfs/dbraw/zinc/55/21/41/1073552141.db2.gz TTXOYYNZIOXGLN-QMTHXVAHSA-N 1 0 378.404 -0.128 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)C[C@H]1C[NH3+] ZINC000652636082 1073551748 /nfs/dbraw/zinc/55/17/48/1073551748.db2.gz UZUYBHRSMNOYMY-DJSGYFEHSA-N 1 0 376.413 -0.328 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)C[C@H]1C[NH3+] ZINC000652636083 1073552160 /nfs/dbraw/zinc/55/21/60/1073552160.db2.gz UZUYBHRSMNOYMY-XFJVYGCCSA-N 1 0 376.413 -0.328 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)C[C@H]1C[NH3+] ZINC000652636090 1073551838 /nfs/dbraw/zinc/55/18/38/1073551838.db2.gz VENTTWUUMIVXRS-CZUORRHYSA-N 1 0 392.456 -0.119 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C[C@H]1C[NH3+] ZINC000652636151 1073552176 /nfs/dbraw/zinc/55/21/76/1073552176.db2.gz YBSIXOCVJMBLQR-QMTHXVAHSA-N 1 0 377.380 -0.438 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C[C@H]1C[NH3+] ZINC000652636196 1073551538 /nfs/dbraw/zinc/55/15/38/1073551538.db2.gz ZZPOIZOZLUJPAO-GDBMZVCRSA-N 1 0 389.456 -0.028 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)C[C@H]1C[NH3+] ZINC000652636255 1073551847 /nfs/dbraw/zinc/55/18/47/1073551847.db2.gz AQVLMOWPYZRFTM-DAXOMENPSA-N 1 0 390.440 -0.651 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)C[C@H]1C[NH3+] ZINC000652636256 1073551987 /nfs/dbraw/zinc/55/19/87/1073551987.db2.gz AQVLMOWPYZRFTM-WQVCFCJDSA-N 1 0 390.440 -0.651 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652636357 1073553122 /nfs/dbraw/zinc/55/31/22/1073553122.db2.gz FWSWZEQWDODWNQ-DGCLKSJQSA-N 1 0 384.458 -0.597 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652636381 1073552618 /nfs/dbraw/zinc/55/26/18/1073552618.db2.gz HCWARRHTYWTMNH-UKRRQHHQSA-N 1 0 383.470 -0.008 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@H]1C[NH3+] ZINC000652636414 1073553218 /nfs/dbraw/zinc/55/32/18/1073553218.db2.gz IGWWFIOXKAFWTL-IUODEOHRSA-N 1 0 378.429 -0.299 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)C[C@H]1C[NH3+] ZINC000652636446 1073551895 /nfs/dbraw/zinc/55/18/95/1073551895.db2.gz JTGFEWNXZQOMGS-TZMCWYRMSA-N 1 0 398.485 -0.336 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000652636454 1073552909 /nfs/dbraw/zinc/55/29/09/1073552909.db2.gz KJTZGUGEDCMIQK-UKRRQHHQSA-N 1 0 377.445 -0.321 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652636466 1073552675 /nfs/dbraw/zinc/55/26/75/1073552675.db2.gz LAEBSMWDSGIMHI-UKRRQHHQSA-N 1 0 383.470 -0.008 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C[NH3+] ZINC000652636467 1073552583 /nfs/dbraw/zinc/55/25/83/1073552583.db2.gz LAHWSHUINIUMEA-TZMCWYRMSA-N 1 0 381.454 -0.223 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652636474 1073552735 /nfs/dbraw/zinc/55/27/35/1073552735.db2.gz LLGPZLJBVQBMPI-IUODEOHRSA-N 1 0 398.485 -0.157 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C[C@H]1C[NH3+] ZINC000652636506 1073553268 /nfs/dbraw/zinc/55/32/68/1073553268.db2.gz MTHQVOWXNCTLLY-IUODEOHRSA-N 1 0 398.485 -0.288 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)C[C@H]1C[NH3+] ZINC000652636522 1073552819 /nfs/dbraw/zinc/55/28/19/1073552819.db2.gz NMFWBVSQJSHOFK-GDBMZVCRSA-N 1 0 391.472 -0.013 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652636529 1073553151 /nfs/dbraw/zinc/55/31/51/1073553151.db2.gz NPWBJFBODQKAPQ-UKRRQHHQSA-N 1 0 383.470 -0.008 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)C[C@H]1C[NH3+] ZINC000652636534 1073552999 /nfs/dbraw/zinc/55/29/99/1073552999.db2.gz NTBPOIZBSMFTEJ-IUODEOHRSA-N 1 0 378.429 -0.428 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H]1C[NH3+] ZINC000652636537 1073552562 /nfs/dbraw/zinc/55/25/62/1073552562.db2.gz NZONHYBRORPTQO-IUODEOHRSA-N 1 0 378.429 -0.299 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652636564 1073553225 /nfs/dbraw/zinc/55/32/25/1073553225.db2.gz OXAGDVFOCOUTSN-TZMCWYRMSA-N 1 0 398.485 -0.343 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C[C@H]1C[NH3+] ZINC000652636627 1073552638 /nfs/dbraw/zinc/55/26/38/1073552638.db2.gz ROWVURVTEGQVRO-IAQYHMDHSA-N 1 0 391.407 -0.129 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000652636667 1073552753 /nfs/dbraw/zinc/55/27/53/1073552753.db2.gz ULJMDZAVBSZTOX-CZUORRHYSA-N 1 0 391.472 -0.053 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C[C@H]1C[NH3+] ZINC000652636673 1073553212 /nfs/dbraw/zinc/55/32/12/1073553212.db2.gz UUFKYHNRKRQULN-CZUORRHYSA-N 1 0 392.456 -0.038 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000652636706 1073554409 /nfs/dbraw/zinc/55/44/09/1073554409.db2.gz WBLGNIKRDRNTEC-CZUORRHYSA-N 1 0 392.456 -0.086 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C[C@H]1C[NH3+] ZINC000652636720 1073554258 /nfs/dbraw/zinc/55/42/58/1073554258.db2.gz WNKOVBBKMOHMPS-IUODEOHRSA-N 1 0 398.485 -0.336 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652636731 1073553820 /nfs/dbraw/zinc/55/38/20/1073553820.db2.gz WYDKYHSDCZYFQL-UKRRQHHQSA-N 1 0 398.485 -0.504 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)C[C@H]1C[NH3+] ZINC000652636771 1073554212 /nfs/dbraw/zinc/55/42/12/1073554212.db2.gz YHNYRTUSZAJPEJ-IAQYHMDHSA-N 1 0 389.416 -0.568 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000652636776 1073553814 /nfs/dbraw/zinc/55/38/14/1073553814.db2.gz YJTWWXZIHLHXGX-IAQYHMDHSA-N 1 0 375.429 -0.362 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652636789 1073554162 /nfs/dbraw/zinc/55/41/62/1073554162.db2.gz YYTHFGZFRDXKFW-NOZJJQNGSA-N 1 0 388.421 -0.766 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[C@H]1C[NH3+] ZINC000652636796 1073553929 /nfs/dbraw/zinc/55/39/29/1073553929.db2.gz ZNCMMJSXGSWDKP-IAQYHMDHSA-N 1 0 376.413 -0.198 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C[C@H]1C[NH3+] ZINC000652636841 1073553197 /nfs/dbraw/zinc/55/31/97/1073553197.db2.gz AGARYUPNSBBVGK-TZMCWYRMSA-N 1 0 398.485 -0.336 20 0 GBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652636925 1073553670 /nfs/dbraw/zinc/55/36/70/1073553670.db2.gz DCVNXNWMCXMTBR-CZUORRHYSA-N 1 0 392.456 -0.038 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[C@H]1C[NH3+] ZINC000652636957 1073554146 /nfs/dbraw/zinc/55/41/46/1073554146.db2.gz FCLJLLJOSAGXJQ-IUODEOHRSA-N 1 0 375.429 -0.023 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@H]1C[NH3+] ZINC000652636987 1073553794 /nfs/dbraw/zinc/55/37/94/1073553794.db2.gz GESPEEBABPOIKN-QMTHXVAHSA-N 1 0 387.433 -0.010 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000652637035 1073554422 /nfs/dbraw/zinc/55/44/22/1073554422.db2.gz HWUUISADWYKEFI-CZUORRHYSA-N 1 0 392.456 -0.086 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)C[C@H]1C[NH3+] ZINC000652637126 1073554221 /nfs/dbraw/zinc/55/42/21/1073554221.db2.gz KKVRHGKEHGMKOL-IUODEOHRSA-N 1 0 378.429 -0.185 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000652637228 1073554196 /nfs/dbraw/zinc/55/41/96/1073554196.db2.gz NHULACJLWOPKJF-IUODEOHRSA-N 1 0 398.485 -0.302 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)C[C@H]1C[NH3+] ZINC000652637301 1073554896 /nfs/dbraw/zinc/55/48/96/1073554896.db2.gz PXZDIOFGWMDPIQ-IAQYHMDHSA-N 1 0 394.428 -0.680 20 0 GBADRO C[C@H](CO)C1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000652637428 1073554173 /nfs/dbraw/zinc/55/41/73/1073554173.db2.gz UUZYCICMSZSHQI-CYBMUJFWSA-N 1 0 376.461 -0.308 20 0 GBADRO C[C@@H](CO)C1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000652637429 1073553863 /nfs/dbraw/zinc/55/38/63/1073553863.db2.gz UUZYCICMSZSHQI-ZDUSSCGKSA-N 1 0 376.461 -0.308 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000652640049 1073559895 /nfs/dbraw/zinc/55/98/95/1073559895.db2.gz FMHUARZPDIDNIJ-UHFFFAOYSA-N 1 0 396.451 -0.008 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC1CC[NH2+]CC1)CC2 ZINC000652643433 1073568947 /nfs/dbraw/zinc/56/89/47/1073568947.db2.gz KJOZHXQXYDYXAH-UHFFFAOYSA-N 1 0 394.497 -0.010 20 0 GBADRO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)NCCC1CC[NH2+]CC1 ZINC000652663497 1073606525 /nfs/dbraw/zinc/60/65/25/1073606525.db2.gz DANLOHVQHVBECA-UHFFFAOYSA-N 1 0 378.477 -0.607 20 0 GBADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000652663684 1073606412 /nfs/dbraw/zinc/60/64/12/1073606412.db2.gz KJDBNKHSBZPAAA-UHFFFAOYSA-N 1 0 378.477 -0.525 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652664513 1073607134 /nfs/dbraw/zinc/60/71/34/1073607134.db2.gz HQVFBNSZAHBXJD-BZUAXINKSA-N 1 0 380.489 -0.284 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652664514 1073607297 /nfs/dbraw/zinc/60/72/97/1073607297.db2.gz HQVFBNSZAHBXJD-OWCLPIDISA-N 1 0 380.489 -0.284 20 0 GBADRO CN(c1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1)S(C)(=O)=O ZINC000652664560 1073607273 /nfs/dbraw/zinc/60/72/73/1073607273.db2.gz JHXMCSBCIPQVTL-UHFFFAOYSA-N 1 0 382.486 -0.056 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C[C@H]1C[NH3+] ZINC000652665580 1073607179 /nfs/dbraw/zinc/60/71/79/1073607179.db2.gz HZVBCNLJZBSSEJ-UMVBOHGHSA-N 1 0 379.436 -0.262 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)C[C@H]1C[NH3+] ZINC000652665581 1073607730 /nfs/dbraw/zinc/60/77/30/1073607730.db2.gz HZVBCNLJZBSSEJ-VNHYZAJKSA-N 1 0 379.436 -0.262 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000652666043 1073608422 /nfs/dbraw/zinc/60/84/22/1073608422.db2.gz ZSQOCODMDNSFLC-IAGOWNOFSA-N 1 0 396.532 -0.040 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)N1CCOCC1 ZINC000652666285 1073608447 /nfs/dbraw/zinc/60/84/47/1073608447.db2.gz CPVLPYYYAIHFRR-GVDBMIGSSA-N 1 0 396.532 -0.042 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)N1CCOCC1 ZINC000652666286 1073609656 /nfs/dbraw/zinc/60/96/56/1073609656.db2.gz CPVLPYYYAIHFRR-ULQDDVLXSA-N 1 0 396.532 -0.042 20 0 GBADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N1CCOCC1 ZINC000652666287 1073609915 /nfs/dbraw/zinc/60/99/15/1073609915.db2.gz CPVLPYYYAIHFRR-YESZJQIVSA-N 1 0 396.532 -0.042 20 0 GBADRO CCN(CCCNC(=O)C(=O)NCc1ccccc1C[NH2+]C)S(C)(=O)=O ZINC000652667242 1073612481 /nfs/dbraw/zinc/61/24/81/1073612481.db2.gz JVZVIAVCWBZLTA-UHFFFAOYSA-N 1 0 384.502 -0.190 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C[C@H]1C[NH3+] ZINC000652668055 1073612831 /nfs/dbraw/zinc/61/28/31/1073612831.db2.gz MKHJQCXRJKIASU-GDBMZVCRSA-N 1 0 391.472 -0.643 20 0 GBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1=O ZINC000652668616 1073614920 /nfs/dbraw/zinc/61/49/20/1073614920.db2.gz GXECPVBFPQZQSX-HNNXBMFYSA-N 1 0 390.488 -0.467 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000652671647 1073623280 /nfs/dbraw/zinc/62/32/80/1073623280.db2.gz JWWKALLUSKIEJG-IJLUTSLNSA-N 1 0 394.394 -0.522 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652672632 1073624969 /nfs/dbraw/zinc/62/49/69/1073624969.db2.gz PWNUQOCJRTUXHB-UXIGCNINSA-N 1 0 398.485 -0.667 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000652673046 1073626931 /nfs/dbraw/zinc/62/69/31/1073626931.db2.gz CTSUJLODMOVPRF-OUAUKWLOSA-N 1 0 380.367 -0.912 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C[C@H]1C[NH3+] ZINC000652673263 1073628566 /nfs/dbraw/zinc/62/85/66/1073628566.db2.gz JBJRGIXTUYXDMJ-LTIDMASMSA-N 1 0 382.505 -0.432 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H]1C[NH3+] ZINC000652673265 1073628807 /nfs/dbraw/zinc/62/88/07/1073628807.db2.gz JBJRGIXTUYXDMJ-WCXIOVBPSA-N 1 0 382.505 -0.432 20 0 GBADRO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000652673303 1073629742 /nfs/dbraw/zinc/62/97/42/1073629742.db2.gz KNMGJTOHCAHCHY-GOSISDBHSA-N 1 0 384.546 -0.184 20 0 GBADRO O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000652673304 1073629827 /nfs/dbraw/zinc/62/98/27/1073629827.db2.gz KNMGJTOHCAHCHY-SFHVURJKSA-N 1 0 384.546 -0.184 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652674845 1073639080 /nfs/dbraw/zinc/63/90/80/1073639080.db2.gz HJPNNWPZPLEEMO-CAOSSQGBSA-N 1 0 384.521 -0.187 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652674846 1073639263 /nfs/dbraw/zinc/63/92/63/1073639263.db2.gz HJPNNWPZPLEEMO-KLHDSHLOSA-N 1 0 384.521 -0.187 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000652675938 1073640214 /nfs/dbraw/zinc/64/02/14/1073640214.db2.gz JYSWHAFQXNWEPR-HZPDHXFCSA-N 1 0 376.457 -0.173 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652676437 1073641363 /nfs/dbraw/zinc/64/13/63/1073641363.db2.gz XJANHZBWYGJATR-UHFFFAOYSA-N 1 0 382.486 -0.202 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)s1 ZINC000652676676 530196461 /nfs/dbraw/zinc/19/64/61/530196461.db2.gz DUBCZWIJHQHADA-UHFFFAOYSA-N 1 0 388.515 -0.304 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652676967 1073643258 /nfs/dbraw/zinc/64/32/58/1073643258.db2.gz LYUGUNMVUOYMPI-INIZCTEOSA-N 1 0 388.516 -0.047 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@H]1C[NH3+] ZINC000652677231 1073644275 /nfs/dbraw/zinc/64/42/75/1073644275.db2.gz UVXRRXVOPZRVHO-GDBMZVCRSA-N 1 0 392.456 -0.177 20 0 GBADRO [NH3+]CC1(CCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000652677262 1073644491 /nfs/dbraw/zinc/64/44/91/1073644491.db2.gz VQXOQSIAABSHDN-UHFFFAOYSA-N 1 0 389.504 -0.650 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652677804 1073647710 /nfs/dbraw/zinc/64/77/10/1073647710.db2.gz IKKRFIOCOIZUEW-UKRRQHHQSA-N 1 0 383.470 -0.472 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000652678505 1073655556 /nfs/dbraw/zinc/65/55/56/1073655556.db2.gz DPTGIQSLUVQWMJ-HZPDHXFCSA-N 1 0 391.472 -0.643 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(NC(=O)COC)c2)C[C@H]1C[NH3+] ZINC000652678660 1073656705 /nfs/dbraw/zinc/65/67/05/1073656705.db2.gz KLIFKPVYFFTYRY-GDBMZVCRSA-N 1 0 392.456 -0.290 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1C[NH3+] ZINC000652679069 1073659971 /nfs/dbraw/zinc/65/99/71/1073659971.db2.gz WHWAGKMFWUCZMG-IIAWOOMASA-N 1 0 378.477 -0.673 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1C[NH3+] ZINC000652679080 1073659879 /nfs/dbraw/zinc/65/98/79/1073659879.db2.gz WHWAGKMFWUCZMG-IJEWVQPXSA-N 1 0 378.477 -0.673 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652679275 1073660761 /nfs/dbraw/zinc/66/07/61/1073660761.db2.gz BSLOSTKAVROOFN-HZPDHXFCSA-N 1 0 397.497 -0.330 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000652681103 1073662636 /nfs/dbraw/zinc/66/26/36/1073662636.db2.gz AFFHNVUEGWGYGN-HNNXBMFYSA-N 1 0 386.456 -0.109 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000652681104 1073662691 /nfs/dbraw/zinc/66/26/91/1073662691.db2.gz AFFHNVUEGWGYGN-OAHLLOKOSA-N 1 0 386.456 -0.109 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CNc3ccccc3C2)C1 ZINC000652681769 1073663784 /nfs/dbraw/zinc/66/37/84/1073663784.db2.gz UDIUSAMHRKARQD-HOTGVXAUSA-N 1 0 387.484 -0.157 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000652682201 1073663643 /nfs/dbraw/zinc/66/36/43/1073663643.db2.gz DNBNJLXPDBXOTR-UHFFFAOYSA-N 1 0 382.486 -0.202 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)C[C@H]1C[NH3+] ZINC000652682329 1073665086 /nfs/dbraw/zinc/66/50/86/1073665086.db2.gz HXDBRMDZVRENDU-HZPDHXFCSA-N 1 0 376.457 -0.473 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652682373 1073665007 /nfs/dbraw/zinc/66/50/07/1073665007.db2.gz JBIPCXVUHJKPJY-HZPDHXFCSA-N 1 0 376.457 -0.417 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@H]1C[NH3+] ZINC000652682581 530199107 /nfs/dbraw/zinc/19/91/07/530199107.db2.gz NUJAOWQYDHOJFP-ZYHUDNBSSA-N 1 0 389.499 -0.410 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000652682694 1073664825 /nfs/dbraw/zinc/66/48/25/1073664825.db2.gz QRFHWJWQKYCFCU-HZPDHXFCSA-N 1 0 376.457 -0.173 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCOC)nc2)C[C@H]1C[NH3+] ZINC000652683127 1073667891 /nfs/dbraw/zinc/66/78/91/1073667891.db2.gz DYSLOMBBMCQTHB-HUUCEWRRSA-N 1 0 380.445 -0.455 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)C[C@H]1C[NH3+] ZINC000652683300 1073670039 /nfs/dbraw/zinc/67/00/39/1073670039.db2.gz JREWQGFWNAPFGP-GDBMZVCRSA-N 1 0 391.472 -0.979 20 0 GBADRO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652683505 1073672182 /nfs/dbraw/zinc/67/21/82/1073672182.db2.gz PECBYSVKFLSASA-UHFFFAOYSA-N 1 0 375.473 -0.295 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCCc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000652685281 1073694428 /nfs/dbraw/zinc/69/44/28/1073694428.db2.gz IIQMLUMNAFBWPF-IAGOWNOFSA-N 1 0 390.484 -0.131 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652687946 1073762816 /nfs/dbraw/zinc/76/28/16/1073762816.db2.gz QKGVFSVUBLXFSD-UKRRQHHQSA-N 1 0 383.470 -0.601 20 0 GBADRO C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N1CCOCC1 ZINC000652691643 1073229266 /nfs/dbraw/zinc/22/92/66/1073229266.db2.gz XFCPKYFQKSZLGW-RZFLPCETSA-N 1 0 396.532 -0.043 20 0 GBADRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@H](C)N1CCOCC1 ZINC000652691644 1073228739 /nfs/dbraw/zinc/22/87/39/1073228739.db2.gz XFCPKYFQKSZLGW-TXTZMMAHSA-N 1 0 396.532 -0.043 20 0 GBADRO CC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH2+]C)C(=O)N1CCOCC1 ZINC000652692657 1073231502 /nfs/dbraw/zinc/23/15/02/1073231502.db2.gz ABBYYWZXZRXRTL-INIZCTEOSA-N 1 0 376.457 -0.224 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000652692766 1073233660 /nfs/dbraw/zinc/23/36/60/1073233660.db2.gz CBNUVBBGKMZCBN-INIZCTEOSA-N 1 0 398.467 -0.014 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000652692767 1073233571 /nfs/dbraw/zinc/23/35/71/1073233571.db2.gz CBNUVBBGKMZCBN-MRXNPFEDSA-N 1 0 398.467 -0.014 20 0 GBADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652692914 1073236030 /nfs/dbraw/zinc/23/60/30/1073236030.db2.gz HAMTUUWCHVGZGO-OAHLLOKOSA-N 1 0 387.484 -0.014 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)C1 ZINC000652693025 1073244441 /nfs/dbraw/zinc/24/44/41/1073244441.db2.gz KEJSLFNFYVWWNM-BBWFWOEESA-N 1 0 394.516 -0.288 20 0 GBADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)C1 ZINC000652693026 1073244461 /nfs/dbraw/zinc/24/44/61/1073244461.db2.gz KEJSLFNFYVWWNM-BRWVUGGUSA-N 1 0 394.516 -0.288 20 0 GBADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)C1 ZINC000652693027 1073244265 /nfs/dbraw/zinc/24/42/65/1073244265.db2.gz KEJSLFNFYVWWNM-GVDBMIGSSA-N 1 0 394.516 -0.288 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)C2)C1 ZINC000652693028 1073244397 /nfs/dbraw/zinc/24/43/97/1073244397.db2.gz KEJSLFNFYVWWNM-ZACQAIPSSA-N 1 0 394.516 -0.288 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)C[C@H]1C[NH3+] ZINC000652693120 1073268940 /nfs/dbraw/zinc/26/89/40/1073268940.db2.gz MKNFJZRJPJBBBG-OWCLPIDISA-N 1 0 392.504 -0.364 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C[C@H]1C[NH3+] ZINC000652693886 1073346263 /nfs/dbraw/zinc/34/62/63/1073346263.db2.gz HZXYFCDVGOCFAX-QLFBSQMISA-N 1 0 376.461 -0.616 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000652694091 1073366647 /nfs/dbraw/zinc/36/66/47/1073366647.db2.gz OHIOWDFRZWYUBG-HZPDHXFCSA-N 1 0 397.497 -0.330 20 0 GBADRO CC[C@@H](OCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000652694545 1073489537 /nfs/dbraw/zinc/48/95/37/1073489537.db2.gz ANWXYMJYMKYXQD-MRXNPFEDSA-N 1 0 376.457 -0.182 20 0 GBADRO C[C@]1(c2cccc(F)c2)CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000652694669 1073514449 /nfs/dbraw/zinc/51/44/49/1073514449.db2.gz DKKPAHKLVPRIDW-IBGZPJMESA-N 1 0 376.432 -0.136 20 0 GBADRO C[C@@]1(c2cccc(F)c2)CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000652694670 1073514383 /nfs/dbraw/zinc/51/43/83/1073514383.db2.gz DKKPAHKLVPRIDW-LJQANCHMSA-N 1 0 376.432 -0.136 20 0 GBADRO O=C(CNC(=O)C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)N1CC[NH2+]CC1 ZINC000652695014 1073222538 /nfs/dbraw/zinc/22/25/38/1073222538.db2.gz LORMHDFIPCZDLE-UHFFFAOYSA-N 1 0 398.366 -0.785 20 0 GBADRO Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000652695217 1073222191 /nfs/dbraw/zinc/22/21/91/1073222191.db2.gz PMZCZZCONPEWEJ-HNNXBMFYSA-N 1 0 375.473 -0.710 20 0 GBADRO Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000652695218 1073222446 /nfs/dbraw/zinc/22/24/46/1073222446.db2.gz PMZCZZCONPEWEJ-OAHLLOKOSA-N 1 0 375.473 -0.710 20 0 GBADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000652709527 1073933454 /nfs/dbraw/zinc/93/34/54/1073933454.db2.gz UJJSVXYSHBBAEC-GCSSGZNBSA-N 1 0 378.473 -0.471 20 0 GBADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000652709528 1073933704 /nfs/dbraw/zinc/93/37/04/1073933704.db2.gz UJJSVXYSHBBAEC-LJIZCISZSA-N 1 0 378.473 -0.471 20 0 GBADRO CCN1C[C@H](CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000652714302 1073949254 /nfs/dbraw/zinc/94/92/54/1073949254.db2.gz IFHLJFVWDSGNSB-JLJPHGGASA-N 1 0 380.489 -0.284 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CNc3ccccc3C2)CC1 ZINC000652717857 1072157757 /nfs/dbraw/zinc/15/77/57/1072157757.db2.gz SMFUSBBPXXEOQO-SJLPKXTDSA-N 1 0 399.495 -0.096 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000652718374 1072179438 /nfs/dbraw/zinc/17/94/38/1072179438.db2.gz BXQGZXHWYJHRID-UHFFFAOYSA-N 1 0 389.485 -0.365 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652721158 1072306184 /nfs/dbraw/zinc/30/61/84/1072306184.db2.gz VMCQVZORVADKNH-HNNXBMFYSA-N 1 0 382.486 -0.438 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652721159 1072305991 /nfs/dbraw/zinc/30/59/91/1072305991.db2.gz VMCQVZORVADKNH-OAHLLOKOSA-N 1 0 382.486 -0.438 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652724015 1072325634 /nfs/dbraw/zinc/32/56/34/1072325634.db2.gz RNXOBDGLPXNTNR-ZBFHGGJFSA-N 1 0 382.505 -0.118 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000652726113 1072329034 /nfs/dbraw/zinc/32/90/34/1072329034.db2.gz GWJBWKBGNSXWLY-KRWDZBQOSA-N 1 0 382.505 -0.463 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652727863 1072342589 /nfs/dbraw/zinc/34/25/89/1072342589.db2.gz HYHSCKYSDZGDEF-IXDOHACOSA-N 1 0 388.468 -0.102 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)ccn3)CC2)C[C@H]1C[NH3+] ZINC000652727908 1072343625 /nfs/dbraw/zinc/34/36/25/1072343625.db2.gz JXVZDJOLEISVFT-HZPDHXFCSA-N 1 0 375.473 -0.139 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cscn3)CC2)C[C@H]1C[NH3+] ZINC000652728140 1072346248 /nfs/dbraw/zinc/34/62/48/1072346248.db2.gz VSIKPDWLVVGLTB-UKRRQHHQSA-N 1 0 381.502 -0.391 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)C[C@H]1C[NH3+] ZINC000652728590 1072374009 /nfs/dbraw/zinc/37/40/09/1072374009.db2.gz RHRVAXFDBHSNLE-ARFHVFGLSA-N 1 0 382.505 -0.181 20 0 GBADRO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000652728604 1072373082 /nfs/dbraw/zinc/37/30/82/1072373082.db2.gz RVDDZSMGIDPQFI-BZUAXINKSA-N 1 0 382.505 -0.037 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)C[C@H]1C[NH3+] ZINC000652728799 1072382478 /nfs/dbraw/zinc/38/24/78/1072382478.db2.gz AXYDZWAWMGSYSJ-VXGBXAGGSA-N 1 0 398.401 -0.147 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652729018 530231827 /nfs/dbraw/zinc/23/18/27/530231827.db2.gz MHJHIYJABBCYSP-BFHYXJOUSA-N 1 0 377.507 -0.520 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652729019 530231734 /nfs/dbraw/zinc/23/17/34/530231734.db2.gz MHJHIYJABBCYSP-MGPQQGTHSA-N 1 0 377.507 -0.520 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000652729243 1072431243 /nfs/dbraw/zinc/43/12/43/1072431243.db2.gz YTWXPDOKBIGTQB-BRWVUGGUSA-N 1 0 382.505 -0.478 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000652729244 1072431107 /nfs/dbraw/zinc/43/11/07/1072431107.db2.gz YTWXPDOKBIGTQB-IXDOHACOSA-N 1 0 382.505 -0.478 20 0 GBADRO CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)[C@@H](C)C1 ZINC000652729381 1072440092 /nfs/dbraw/zinc/44/00/92/1072440092.db2.gz DCYJHEHYUBIQGT-LLLHUVSDSA-N 1 0 380.489 -0.190 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)C1 ZINC000652729523 1072458326 /nfs/dbraw/zinc/45/83/26/1072458326.db2.gz JBLXALNIVLXWIA-HZMVEIRTSA-N 1 0 380.489 -0.726 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)C1 ZINC000652729524 1072454643 /nfs/dbraw/zinc/45/46/43/1072454643.db2.gz JBLXALNIVLXWIA-NCOADZHNSA-N 1 0 380.489 -0.726 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1=O ZINC000652729854 1072511929 /nfs/dbraw/zinc/51/19/29/1072511929.db2.gz YLBMKAZQIXJLIU-JYJNAYRXSA-N 1 0 380.489 -0.190 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000652729855 1072512056 /nfs/dbraw/zinc/51/20/56/1072512056.db2.gz YLBMKAZQIXJLIU-XHSDSOJGSA-N 1 0 380.489 -0.190 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)C[C@H]1C[NH3+] ZINC000652730268 1072616735 /nfs/dbraw/zinc/61/67/35/1072616735.db2.gz PTIHJHAHTISATH-CHWSQXEVSA-N 1 0 396.517 -0.429 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C[C@H]1C[NH3+] ZINC000652730312 1072619465 /nfs/dbraw/zinc/61/94/65/1072619465.db2.gz SPSMPBPHHUNIEA-GDBMZVCRSA-N 1 0 390.488 -0.242 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C)CC2)C[C@H]1C[NH3+] ZINC000652730323 1072620450 /nfs/dbraw/zinc/62/04/50/1072620450.db2.gz TXVKOLVRYQLVOH-HUUCEWRRSA-N 1 0 376.461 -0.744 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C[C@H]1C[NH3+] ZINC000652730360 1072621127 /nfs/dbraw/zinc/62/11/27/1072621127.db2.gz VIPVGZVSGCIEGG-TZMCWYRMSA-N 1 0 380.424 -0.914 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)C2CCN(c3cnccn3)CC2)C[C@H]1C[NH3+] ZINC000652730378 1072621990 /nfs/dbraw/zinc/62/19/90/1072621990.db2.gz WEBHKEVTTQMQJF-GDBMZVCRSA-N 1 0 390.488 -0.274 20 0 GBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730511 1072632747 /nfs/dbraw/zinc/63/27/47/1072632747.db2.gz DTRGCGRKBTYGHU-FIDHJVLJSA-N 1 0 383.489 -0.270 20 0 GBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730514 1072632616 /nfs/dbraw/zinc/63/26/16/1072632616.db2.gz DTRGCGRKBTYGHU-VIQHNZTISA-N 1 0 383.489 -0.270 20 0 GBADRO CCN1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000652730515 1072632766 /nfs/dbraw/zinc/63/27/66/1072632766.db2.gz DVBCVLZVIWTCHF-ARFHVFGLSA-N 1 0 380.489 -0.188 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC000652730553 1072632674 /nfs/dbraw/zinc/63/26/74/1072632674.db2.gz GIFOXIJMOVGUOZ-VHDGCEQUSA-N 1 0 381.502 -0.141 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730742 1072639530 /nfs/dbraw/zinc/63/95/30/1072639530.db2.gz NOSUFMURAWNJFJ-XDNAFOTISA-N 1 0 396.532 -0.090 20 0 GBADRO COCCN(C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@@H]1CCOC1 ZINC000652730756 1072640748 /nfs/dbraw/zinc/64/07/48/1072640748.db2.gz NWOHYFWHTKOXOP-NXOAAHMSSA-N 1 0 383.489 -0.005 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3=O)CC2)C[C@H]1C[NH3+] ZINC000652731309 1072695779 /nfs/dbraw/zinc/69/57/79/1072695779.db2.gz HEQGKZFILDOQQM-OWCLPIDISA-N 1 0 380.489 -0.188 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000652731703 1072718020 /nfs/dbraw/zinc/71/80/20/1072718020.db2.gz RVOXLJLORGYWRK-GOSISDBHSA-N 1 0 396.532 -0.216 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000652731772 1072717946 /nfs/dbraw/zinc/71/79/46/1072717946.db2.gz UKPRVPBJSOGZCR-GVDBMIGSSA-N 1 0 382.505 -0.621 20 0 GBADRO C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000652732929 1072756836 /nfs/dbraw/zinc/75/68/36/1072756836.db2.gz WVTSUYMYDJGFOF-DOTOQJQBSA-N 1 0 394.516 -0.476 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCN(C(C)(C)COC)CC2)CC1 ZINC000652734121 1072780715 /nfs/dbraw/zinc/78/07/15/1072780715.db2.gz ZNSDTDHGHWUCLQ-UHFFFAOYSA-N 1 0 384.521 -0.217 20 0 GBADRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)sc1S(N)(=O)=O ZINC000652734424 530256109 /nfs/dbraw/zinc/25/61/09/530256109.db2.gz KESHOHLVPVKXNU-UHFFFAOYSA-N 1 0 390.487 -0.750 20 0 GBADRO CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c2C1 ZINC000652734494 1072791064 /nfs/dbraw/zinc/79/10/64/1072791064.db2.gz MLJZYQVZKGHYLN-HNNXBMFYSA-N 1 0 390.488 -0.572 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)N1CCO ZINC000652734515 1072790884 /nfs/dbraw/zinc/79/08/84/1072790884.db2.gz NKFAONADIVZANN-IGKNDFSCSA-N 1 0 396.532 -0.355 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1=O ZINC000652734623 530256295 /nfs/dbraw/zinc/25/62/95/530256295.db2.gz QOEWUTAWNHWNGI-UHFFFAOYSA-N 1 0 394.906 -0.105 20 0 GBADRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652734772 1072795828 /nfs/dbraw/zinc/79/58/28/1072795828.db2.gz VMVWQQTXUDPXMD-QAETUUGQSA-N 1 0 382.505 -0.744 20 0 GBADRO CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000652734852 1072796359 /nfs/dbraw/zinc/79/63/59/1072796359.db2.gz YEVFCFIZASPAAK-UHFFFAOYSA-N 1 0 396.513 -0.240 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1=O ZINC000652735130 1072807789 /nfs/dbraw/zinc/80/77/89/1072807789.db2.gz CDKPKFYEVIGTKU-KEYYUXOJSA-N 1 0 397.545 -0.055 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)C[C@H]1C[NH3+] ZINC000652735330 1072811163 /nfs/dbraw/zinc/81/11/63/1072811163.db2.gz HHFPGVFOCOYLRL-ZIAGYGMSSA-N 1 0 376.461 -0.605 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1=O ZINC000652735717 1072817889 /nfs/dbraw/zinc/81/78/89/1072817889.db2.gz RGNJSVXIYPTTGE-UHFFFAOYSA-N 1 0 386.456 -0.085 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735770 530257733 /nfs/dbraw/zinc/25/77/33/530257733.db2.gz SXZHYYIOQHLXKP-GFCCVEGCSA-N 1 0 388.515 -0.353 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735771 530257626 /nfs/dbraw/zinc/25/76/26/530257626.db2.gz SXZHYYIOQHLXKP-LBPRGKRZSA-N 1 0 388.515 -0.353 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1=O ZINC000652735945 1072819548 /nfs/dbraw/zinc/81/95/48/1072819548.db2.gz YBJSNWCEKOXJDC-UHFFFAOYSA-N 1 0 378.433 -0.102 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1=O ZINC000652736837 530259004 /nfs/dbraw/zinc/25/90/04/530259004.db2.gz QQXCLJUZJPYPNV-UHFFFAOYSA-N 1 0 388.515 -0.351 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652736849 1072844412 /nfs/dbraw/zinc/84/44/12/1072844412.db2.gz RAMWSEONANALRD-UHFFFAOYSA-N 1 0 384.458 -0.811 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000652736902 1072846369 /nfs/dbraw/zinc/84/63/69/1072846369.db2.gz STBCRABDJBTXSP-UHFFFAOYSA-N 1 0 396.513 -0.104 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1=O ZINC000652736919 1072848195 /nfs/dbraw/zinc/84/81/95/1072848195.db2.gz TWEAYGUIPMUSOB-UHFFFAOYSA-N 1 0 382.486 -0.413 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)C[C@H]1C[NH3+] ZINC000652737028 1072856080 /nfs/dbraw/zinc/85/60/80/1072856080.db2.gz XIGGDJSVBREMFR-FGTMMUONSA-N 1 0 393.484 -0.155 20 0 GBADRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1OCC(N)=O ZINC000652737098 1072858459 /nfs/dbraw/zinc/85/84/59/1072858459.db2.gz 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20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653258860 530105731 /nfs/dbraw/zinc/10/57/31/530105731.db2.gz PCHKHFNXYGPDAX-RBSFLKMASA-N 1 0 377.507 -0.170 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653258861 530105421 /nfs/dbraw/zinc/10/54/21/530105421.db2.gz PCHKHFNXYGPDAX-RRFJBIMHSA-N 1 0 377.507 -0.170 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653258862 530105669 /nfs/dbraw/zinc/10/56/69/530105669.db2.gz PCHKHFNXYGPDAX-ZNMIVQPWSA-N 1 0 377.507 -0.170 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260857 530106508 /nfs/dbraw/zinc/10/65/08/530106508.db2.gz MAICFINCDYULSK-KFWWJZLASA-N 1 0 377.507 -0.170 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260858 530106563 /nfs/dbraw/zinc/10/65/63/530106563.db2.gz MAICFINCDYULSK-RBSFLKMASA-N 1 0 377.507 -0.170 20 0 GBADRO 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1073132642 /nfs/dbraw/zinc/13/26/42/1073132642.db2.gz WNJRFRCIFBGLDM-OAHLLOKOSA-N 1 0 392.504 -0.163 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1=O ZINC000653418772 1073137453 /nfs/dbraw/zinc/13/74/53/1073137453.db2.gz VQZYDILDAGMBOJ-HNNXBMFYSA-N 1 0 380.489 -0.173 20 0 GBADRO CCN1C[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000653419154 1073140636 /nfs/dbraw/zinc/14/06/36/1073140636.db2.gz BWUOKLAYPVCXIK-XIRDDKMYSA-N 1 0 394.516 -0.145 20 0 GBADRO CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[C@@H]2COC[C@H]2O1 ZINC000653419569 1073143751 /nfs/dbraw/zinc/14/37/51/1073143751.db2.gz MISLMADUJIVJLD-VVLHAWIVSA-N 1 0 395.500 -0.115 20 0 GBADRO Cc1cnc([C@H](C)CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000653422859 1073298335 /nfs/dbraw/zinc/29/83/35/1073298335.db2.gz RFHNEKIXOZOZHN-GFCCVEGCSA-N 1 0 381.502 -0.096 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000653425862 1073325675 /nfs/dbraw/zinc/32/56/75/1073325675.db2.gz FNRRFGSYRKIHGR-HZPDHXFCSA-N 1 0 382.505 -0.465 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)CC2 ZINC000653426074 1073327134 /nfs/dbraw/zinc/32/71/34/1073327134.db2.gz JEHOZDVEGNOSDN-AWEZNQCLSA-N 1 0 378.477 -0.200 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)CC2 ZINC000653426075 1073327098 /nfs/dbraw/zinc/32/70/98/1073327098.db2.gz JEHOZDVEGNOSDN-CQSZACIVSA-N 1 0 378.477 -0.200 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)CC1=O ZINC000653426552 1073331055 /nfs/dbraw/zinc/33/10/55/1073331055.db2.gz SNWSRCNDDGRKID-OAHLLOKOSA-N 1 0 382.505 -0.070 20 0 GBADRO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1(C)C ZINC000653427477 1073342531 /nfs/dbraw/zinc/34/25/31/1073342531.db2.gz LXEYLFXZDWHFBP-CABCVRRESA-N 1 0 382.505 -0.073 20 0 GBADRO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1(C)C ZINC000653427478 1073342204 /nfs/dbraw/zinc/34/22/04/1073342204.db2.gz LXEYLFXZDWHFBP-GJZGRUSLSA-N 1 0 382.505 -0.073 20 0 GBADRO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1(C)C ZINC000653427479 1073342152 /nfs/dbraw/zinc/34/21/52/1073342152.db2.gz LXEYLFXZDWHFBP-HUUCEWRRSA-N 1 0 382.505 -0.073 20 0 GBADRO CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653427993 1073344589 /nfs/dbraw/zinc/34/45/89/1073344589.db2.gz XUQDNHHEOUTHIK-UHFFFAOYSA-N 1 0 392.504 -0.607 20 0 GBADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000653428655 530288694 /nfs/dbraw/zinc/28/86/94/530288694.db2.gz MJQZUCSKAHESBW-CQSZACIVSA-N 1 0 376.523 -0.379 20 0 GBADRO CSc1nnc(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000653428714 530288675 /nfs/dbraw/zinc/28/86/75/530288675.db2.gz NJGVBXIHTBVGPW-UHFFFAOYSA-N 1 0 386.503 -0.891 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1=O ZINC000653429044 1073353926 /nfs/dbraw/zinc/35/39/26/1073353926.db2.gz UPWJYNBHVUYLRL-KDOFPFPSSA-N 1 0 398.529 -0.610 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1=O ZINC000653429199 1073356603 /nfs/dbraw/zinc/35/66/03/1073356603.db2.gz YDMQVOLORKUGBS-UAGQMJEPSA-N 1 0 392.500 -0.317 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC23CCOCC3)CC1=O ZINC000653430413 1073359791 /nfs/dbraw/zinc/35/97/91/1073359791.db2.gz DGRVSCALWWXNLX-OAHLLOKOSA-N 1 0 380.489 -0.316 20 0 GBADRO COCCOCCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000653432801 1073364818 /nfs/dbraw/zinc/36/48/18/1073364818.db2.gz UDGQLDWAKDNBTQ-KRWDZBQOSA-N 1 0 384.521 -0.358 20 0 GBADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000653433000 1073365853 /nfs/dbraw/zinc/36/58/53/1073365853.db2.gz XYUACEHMDSSCGO-UHFFFAOYSA-N 1 0 396.532 -0.072 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC23CCSCC3)CC1=O ZINC000653435166 1073376411 /nfs/dbraw/zinc/37/64/11/1073376411.db2.gz UGGMLHHDXUKFGR-CQSZACIVSA-N 1 0 382.530 -0.132 20 0 GBADRO CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000653448833 1073481923 /nfs/dbraw/zinc/48/19/23/1073481923.db2.gz GXTSFQQOURISOG-JKSUJKDBSA-N 1 0 380.489 -0.458 20 0 GBADRO CCN1C[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1=O ZINC000653449083 1073482206 /nfs/dbraw/zinc/48/22/06/1073482206.db2.gz LOTGNRTYFCHXQE-AWEZNQCLSA-N 1 0 389.456 -0.277 20 0 GBADRO CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1=O ZINC000653449084 1073482304 /nfs/dbraw/zinc/48/23/04/1073482304.db2.gz LOTGNRTYFCHXQE-CQSZACIVSA-N 1 0 389.456 -0.277 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C1 ZINC000653487618 530327196 /nfs/dbraw/zinc/32/71/96/530327196.db2.gz DVOLQSMOIOHYME-OTVXOJSOSA-N 1 0 390.531 -0.105 20 0 GBADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653829579 530462227 /nfs/dbraw/zinc/46/22/27/530462227.db2.gz LZZOXYPLEQYOTA-WDEREUQCSA-N 1 0 388.877 -0.323 20 0 GBADRO CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000654071654 530509902 /nfs/dbraw/zinc/50/99/02/530509902.db2.gz RDZYNDKZKZKXPQ-AXFHLTTASA-N 1 0 388.412 -0.731 20 0 GBADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000654071655 530509738 /nfs/dbraw/zinc/50/97/38/530509738.db2.gz RDZYNDKZKZKXPQ-HBNTYKKESA-N 1 0 388.412 -0.731 20 0 GBADRO COc1cc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1OCC(N)=O ZINC000654385464 1072285885 /nfs/dbraw/zinc/28/58/85/1072285885.db2.gz JUYYSGKKYFFLNC-UONOGXRCSA-N 1 0 378.429 -0.480 20 0 GBADRO O=C(CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCS(=O)(=O)C1 ZINC000654385559 1072286274 /nfs/dbraw/zinc/28/62/74/1072286274.db2.gz CCFGONHRNBXHGM-KFWWJZLASA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCS(=O)(=O)C1 ZINC000654385560 1072285721 /nfs/dbraw/zinc/28/57/21/1072285721.db2.gz CCFGONHRNBXHGM-RBSFLKMASA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N[C@H]1CCS(=O)(=O)C1 ZINC000654385561 1072285517 /nfs/dbraw/zinc/28/55/17/1072285517.db2.gz CCFGONHRNBXHGM-RRFJBIMHSA-N 1 0 386.518 -0.004 20 0 GBADRO O=C(CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N[C@H]1CCS(=O)(=O)C1 ZINC000654385562 1072285997 /nfs/dbraw/zinc/28/59/97/1072285997.db2.gz CCFGONHRNBXHGM-ZNMIVQPWSA-N 1 0 386.518 -0.004 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000654483051 530103324 /nfs/dbraw/zinc/10/33/24/530103324.db2.gz HSHBRHQSUYVXOC-UHFFFAOYSA-N 1 0 388.877 -0.167 20 0 GBADRO CN(CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000654500482 530103728 /nfs/dbraw/zinc/10/37/28/530103728.db2.gz PKKRSIJMQKSJGC-QWHCGFSZSA-N 1 0 388.515 -0.171 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)s1 ZINC000654500846 530103850 /nfs/dbraw/zinc/10/38/50/530103850.db2.gz ZLXNVNLWNWEBLZ-QWHCGFSZSA-N 1 0 388.515 -0.205 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654725599 1072127797 /nfs/dbraw/zinc/12/77/97/1072127797.db2.gz JGBDCVPCPFALFW-CABCVRRESA-N 1 0 376.465 -0.456 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654725600 1072127969 /nfs/dbraw/zinc/12/79/69/1072127969.db2.gz JGBDCVPCPFALFW-GJZGRUSLSA-N 1 0 376.465 -0.456 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654725601 1072127937 /nfs/dbraw/zinc/12/79/37/1072127937.db2.gz JGBDCVPCPFALFW-HUUCEWRRSA-N 1 0 376.465 -0.456 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654725602 1072127926 /nfs/dbraw/zinc/12/79/26/1072127926.db2.gz JGBDCVPCPFALFW-LSDHHAIUSA-N 1 0 376.465 -0.456 20 0 GBADRO CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)C1=O ZINC000654765399 1072132543 /nfs/dbraw/zinc/13/25/43/1072132543.db2.gz YBJIWFATEGHMJT-ACJLOTCBSA-N 1 0 391.428 -0.939 20 0 GBADRO CN1C(=O)N[C@](C)(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)C1=O ZINC000654765402 1072132447 /nfs/dbraw/zinc/13/24/47/1072132447.db2.gz YBJIWFATEGHMJT-FZKQIMNGSA-N 1 0 391.428 -0.939 20 0 GBADRO CN1C(=O)N[C@](C)(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1=O ZINC000654765403 1072132506 /nfs/dbraw/zinc/13/25/06/1072132506.db2.gz YBJIWFATEGHMJT-SCLBCKFNSA-N 1 0 391.428 -0.939 20 0 GBADRO CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1=O ZINC000654765404 1072132604 /nfs/dbraw/zinc/13/26/04/1072132604.db2.gz YBJIWFATEGHMJT-UGSOOPFHSA-N 1 0 391.428 -0.939 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)n1 ZINC000654773012 1072135032 /nfs/dbraw/zinc/13/50/32/1072135032.db2.gz JUCFXKFPRNFJAZ-UHFFFAOYSA-N 1 0 392.489 -0.307 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654775953 1072134681 /nfs/dbraw/zinc/13/46/81/1072134681.db2.gz ZWVRCLRXGICYLO-CYBMUJFWSA-N 1 0 381.502 -0.064 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654775954 1072134601 /nfs/dbraw/zinc/13/46/01/1072134601.db2.gz ZWVRCLRXGICYLO-ZDUSSCGKSA-N 1 0 381.502 -0.064 20 0 GBADRO Cc1nn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(=O)n1C ZINC000654780361 1072135697 /nfs/dbraw/zinc/13/56/97/1072135697.db2.gz TXYFUNWFEHQKGN-UHFFFAOYSA-N 1 0 392.504 -0.269 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000654781270 1072135575 /nfs/dbraw/zinc/13/55/75/1072135575.db2.gz QYFGKGIVKHDGJC-UHFFFAOYSA-N 1 0 394.520 -0.023 20 0 GBADRO CC(C)Oc1cncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000654781585 1072135586 /nfs/dbraw/zinc/13/55/86/1072135586.db2.gz JEFCUQZIRIXADE-CYBMUJFWSA-N 1 0 392.460 -0.094 20 0 GBADRO CC(C)Oc1cncc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000654781586 1072135475 /nfs/dbraw/zinc/13/54/75/1072135475.db2.gz JEFCUQZIRIXADE-ZDUSSCGKSA-N 1 0 392.460 -0.094 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000654795789 1072137042 /nfs/dbraw/zinc/13/70/42/1072137042.db2.gz YNHUVFMVLQWVCW-AWEZNQCLSA-N 1 0 381.502 -0.111 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000654795790 1072137015 /nfs/dbraw/zinc/13/70/15/1072137015.db2.gz YNHUVFMVLQWVCW-CQSZACIVSA-N 1 0 381.502 -0.111 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000654799744 1072136943 /nfs/dbraw/zinc/13/69/43/1072136943.db2.gz UYBVYMWTUYAPOJ-AWEZNQCLSA-N 1 0 397.501 -0.826 20 0 GBADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000654799745 1072136882 /nfs/dbraw/zinc/13/68/82/1072136882.db2.gz UYBVYMWTUYAPOJ-CQSZACIVSA-N 1 0 397.501 -0.826 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000654805330 1072137646 /nfs/dbraw/zinc/13/76/46/1072137646.db2.gz PHVGSJRGBVHUPQ-HNNXBMFYSA-N 1 0 378.477 -0.892 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000654805331 1072137603 /nfs/dbraw/zinc/13/76/03/1072137603.db2.gz PHVGSJRGBVHUPQ-OAHLLOKOSA-N 1 0 378.477 -0.892 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-n3cnnn3)cn2)cn1 ZINC000654829501 1072139191 /nfs/dbraw/zinc/13/91/91/1072139191.db2.gz GYTJKRAWZJHSDI-UHFFFAOYSA-N 1 0 384.404 -0.816 20 0 GBADRO CC(C)Oc1cncc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000654843521 1072140681 /nfs/dbraw/zinc/14/06/81/1072140681.db2.gz JITXTYWDRADMMA-GFCCVEGCSA-N 1 0 378.433 -0.219 20 0 GBADRO CC(C)Oc1cncc(NC(=O)C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000654843522 1072140817 /nfs/dbraw/zinc/14/08/17/1072140817.db2.gz JITXTYWDRADMMA-LBPRGKRZSA-N 1 0 378.433 -0.219 20 0 GBADRO CC(C)Oc1cncc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000654843723 1072140516 /nfs/dbraw/zinc/14/05/16/1072140516.db2.gz RIFNQBGBSBXYPQ-UHFFFAOYSA-N 1 0 378.433 -0.565 20 0 GBADRO CO[C@](C)(CO)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000654864488 1072142134 /nfs/dbraw/zinc/14/21/34/1072142134.db2.gz ARIQNGFSAAFAFS-IBGZPJMESA-N 1 0 378.473 -0.114 20 0 GBADRO CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000654864489 1072141980 /nfs/dbraw/zinc/14/19/80/1072141980.db2.gz ARIQNGFSAAFAFS-LJQANCHMSA-N 1 0 378.473 -0.114 20 0 GBADRO 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FKWSTFKFAINMER-HNNXBMFYSA-N 1 0 388.534 -0.106 20 0 GBADRO CS(=O)(=O)N1CCC(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000655457819 1072232768 /nfs/dbraw/zinc/23/27/68/1072232768.db2.gz FKWSTFKFAINMER-OAHLLOKOSA-N 1 0 388.534 -0.106 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)cn1C ZINC000655470763 1073123523 /nfs/dbraw/zinc/12/35/23/1073123523.db2.gz OBTUCUZGRXOTSQ-PBHICJAKSA-N 1 0 381.502 -0.049 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)cn1C ZINC000655470764 1072235856 /nfs/dbraw/zinc/23/58/56/1072235856.db2.gz OBTUCUZGRXOTSQ-RHSMWYFYSA-N 1 0 381.502 -0.049 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)cn1C ZINC000655470765 1072235731 /nfs/dbraw/zinc/23/57/31/1072235731.db2.gz OBTUCUZGRXOTSQ-WMLDXEAASA-N 1 0 381.502 -0.049 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)cn1C ZINC000655470766 1072235837 /nfs/dbraw/zinc/23/58/37/1072235837.db2.gz OBTUCUZGRXOTSQ-YOEHRIQHSA-N 1 0 381.502 -0.049 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655507154 1073360012 /nfs/dbraw/zinc/36/00/12/1073360012.db2.gz JWARPFWMZPEBEV-LLVKDONJSA-N 1 0 398.407 -0.115 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655507155 1073359973 /nfs/dbraw/zinc/35/99/73/1073359973.db2.gz JWARPFWMZPEBEV-NSHDSACASA-N 1 0 398.407 -0.115 20 0 GBADRO [NH3+]C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(F)(F)F ZINC000655508439 1073371199 /nfs/dbraw/zinc/37/11/99/1073371199.db2.gz FQNXDMUWXAOWGS-LLVKDONJSA-N 1 0 394.375 -0.574 20 0 GBADRO [NH3+]C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(F)(F)F ZINC000655508440 1073372814 /nfs/dbraw/zinc/37/28/14/1073372814.db2.gz FQNXDMUWXAOWGS-NSHDSACASA-N 1 0 394.375 -0.574 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655508616 530154385 /nfs/dbraw/zinc/15/43/85/530154385.db2.gz MJMORQJIKCKUFA-LLVKDONJSA-N 1 0 384.380 -0.335 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655508619 530153972 /nfs/dbraw/zinc/15/39/72/530153972.db2.gz MJMORQJIKCKUFA-NSHDSACASA-N 1 0 384.380 -0.335 20 0 GBADRO [NH3+]C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(F)(F)F ZINC000655509433 1073396611 /nfs/dbraw/zinc/39/66/11/1073396611.db2.gz NJLFEFGSZVBNOE-LLVKDONJSA-N 1 0 394.375 -0.574 20 0 GBADRO [NH3+]C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(F)(F)F ZINC000655509434 1073396365 /nfs/dbraw/zinc/39/63/65/1073396365.db2.gz NJLFEFGSZVBNOE-NSHDSACASA-N 1 0 394.375 -0.574 20 0 GBADRO [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(F)(F)F ZINC000655511792 530170996 /nfs/dbraw/zinc/17/09/96/530170996.db2.gz LHRHJJDIETWDGA-SECBINFHSA-N 1 0 376.320 -0.283 20 0 GBADRO [NH3+]C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(F)(F)F ZINC000655511793 530171619 /nfs/dbraw/zinc/17/16/19/530171619.db2.gz LHRHJJDIETWDGA-VIFPVBQESA-N 1 0 376.320 -0.283 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655516840 1072242672 /nfs/dbraw/zinc/24/26/72/1072242672.db2.gz ZUFMGFKWZUQRGX-LLVKDONJSA-N 1 0 396.391 -0.328 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655516841 1072242710 /nfs/dbraw/zinc/24/27/10/1072242710.db2.gz ZUFMGFKWZUQRGX-NSHDSACASA-N 1 0 396.391 -0.328 20 0 GBADRO Cn1c2ccc(NC(=O)CCC(=O)N[C@H](C[NH3+])C(F)(F)F)nc2n(C)c1=O ZINC000655611004 1072305470 /nfs/dbraw/zinc/30/54/70/1072305470.db2.gz PTUCUKANHJLVBF-SECBINFHSA-N 1 0 388.350 -0.004 20 0 GBADRO Cn1c2ccc(NC(=O)CCC(=O)N[C@@H](C[NH3+])C(F)(F)F)nc2n(C)c1=O ZINC000655611005 1072305018 /nfs/dbraw/zinc/30/50/18/1072305018.db2.gz PTUCUKANHJLVBF-VIFPVBQESA-N 1 0 388.350 -0.004 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(c2nncn2C)CC1 ZINC000655643565 1072308802 /nfs/dbraw/zinc/30/88/02/1072308802.db2.gz DPGFDNSYLYBWJV-UHFFFAOYSA-N 1 0 396.521 -0.299 20 0 GBADRO O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648028 1073204441 /nfs/dbraw/zinc/20/44/41/1073204441.db2.gz DJVXFIGWKWCUEO-UONOGXRCSA-N 1 0 393.465 -0.247 20 0 GBADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648174 530283042 /nfs/dbraw/zinc/28/30/42/530283042.db2.gz GSIUYUBAYIEOTK-NWDGAFQWSA-N 1 0 390.483 -0.462 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000655648413 530283002 /nfs/dbraw/zinc/28/30/02/530283002.db2.gz PVICVHNQMSEKAY-WDEREUQCSA-N 1 0 378.447 -0.331 20 0 GBADRO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648449 530283011 /nfs/dbraw/zinc/28/30/11/530283011.db2.gz RGJQOWXENMKXFN-UONOGXRCSA-N 1 0 389.499 -0.955 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655669435 530284645 /nfs/dbraw/zinc/28/46/45/530284645.db2.gz PHUPCCAYWZMUMM-KBPBESRZSA-N 1 0 380.536 -0.585 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655669437 530284765 /nfs/dbraw/zinc/28/47/65/530284765.db2.gz PHUPCCAYWZMUMM-KGLIPLIRSA-N 1 0 380.536 -0.585 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655669438 530284566 /nfs/dbraw/zinc/28/45/66/530284566.db2.gz PHUPCCAYWZMUMM-UONOGXRCSA-N 1 0 380.536 -0.585 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655669439 530284904 /nfs/dbraw/zinc/28/49/04/530284904.db2.gz PHUPCCAYWZMUMM-ZIAGYGMSSA-N 1 0 380.536 -0.585 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000655898931 530112228 /nfs/dbraw/zinc/11/22/28/530112228.db2.gz SNOKREJDZATYFA-UHFFFAOYSA-N 1 0 375.539 -0.218 20 0 GBADRO [NH3+]C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(F)(F)F ZINC000655912542 1072334699 /nfs/dbraw/zinc/33/46/99/1072334699.db2.gz VROQNTGQJMRBBA-GFCCVEGCSA-N 1 0 387.362 -0.053 20 0 GBADRO [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(F)(F)F ZINC000655913700 530112514 /nfs/dbraw/zinc/11/25/14/530112514.db2.gz BIJAZHXCYQUBPJ-NXEZZACHSA-N 1 0 376.401 -0.336 20 0 GBADRO [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(F)(F)F ZINC000655913701 530112522 /nfs/dbraw/zinc/11/25/22/530112522.db2.gz BIJAZHXCYQUBPJ-UWVGGRQHSA-N 1 0 376.401 -0.336 20 0 GBADRO [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(F)(F)F ZINC000655913702 530112135 /nfs/dbraw/zinc/11/21/35/530112135.db2.gz BIJAZHXCYQUBPJ-VHSXEESVSA-N 1 0 376.401 -0.336 20 0 GBADRO [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C(F)(F)F ZINC000655913703 530112340 /nfs/dbraw/zinc/11/23/40/530112340.db2.gz BIJAZHXCYQUBPJ-ZJUUUORDSA-N 1 0 376.401 -0.336 20 0 GBADRO [NH3+]C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(F)(F)F ZINC000655915520 1072334618 /nfs/dbraw/zinc/33/46/18/1072334618.db2.gz ODGGMUXELOMEMG-LLVKDONJSA-N 1 0 389.382 -0.296 20 0 GBADRO [NH3+]C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(F)(F)F ZINC000655915521 1072335494 /nfs/dbraw/zinc/33/54/94/1072335494.db2.gz ODGGMUXELOMEMG-NSHDSACASA-N 1 0 389.382 -0.296 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655915897 1072335401 /nfs/dbraw/zinc/33/54/01/1072335401.db2.gz RQQOKWMZPLNVMV-JTQLQIEISA-N 1 0 397.379 -0.278 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655915898 1072335612 /nfs/dbraw/zinc/33/56/12/1072335612.db2.gz RQQOKWMZPLNVMV-SNVBAGLBSA-N 1 0 397.379 -0.278 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916883 1072335291 /nfs/dbraw/zinc/33/52/91/1072335291.db2.gz JZJMBZIEDIHPPL-NEPJUHHUSA-N 1 0 383.415 -0.256 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916884 1072335624 /nfs/dbraw/zinc/33/56/24/1072335624.db2.gz JZJMBZIEDIHPPL-NWDGAFQWSA-N 1 0 383.415 -0.256 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916885 1072335191 /nfs/dbraw/zinc/33/51/91/1072335191.db2.gz JZJMBZIEDIHPPL-RYUDHWBXSA-N 1 0 383.415 -0.256 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916886 1072335208 /nfs/dbraw/zinc/33/52/08/1072335208.db2.gz JZJMBZIEDIHPPL-VXGBXAGGSA-N 1 0 383.415 -0.256 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655917403 1072335073 /nfs/dbraw/zinc/33/50/73/1072335073.db2.gz QTORLHMQTIIEIO-GFCCVEGCSA-N 1 0 398.407 -0.012 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655917404 1072335426 /nfs/dbraw/zinc/33/54/26/1072335426.db2.gz QTORLHMQTIIEIO-LBPRGKRZSA-N 1 0 398.407 -0.012 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655918404 530112194 /nfs/dbraw/zinc/11/21/94/530112194.db2.gz AMAONWSJKLFGDV-LLVKDONJSA-N 1 0 390.428 -0.042 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655918405 530112517 /nfs/dbraw/zinc/11/25/17/530112517.db2.gz AMAONWSJKLFGDV-NSHDSACASA-N 1 0 390.428 -0.042 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cn1 ZINC000655918958 1072337694 /nfs/dbraw/zinc/33/76/94/1072337694.db2.gz NXJFHIWXJBQLEC-LLVKDONJSA-N 1 0 398.411 -0.238 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cn1 ZINC000655918962 1072337813 /nfs/dbraw/zinc/33/78/13/1072337813.db2.gz NXJFHIWXJBQLEC-NSHDSACASA-N 1 0 398.411 -0.238 20 0 GBADRO [NH3+]C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F ZINC000655919264 530112370 /nfs/dbraw/zinc/11/23/70/530112370.db2.gz OYKJVUDHFOBPJT-JTQLQIEISA-N 1 0 385.368 -0.279 20 0 GBADRO [NH3+]C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(F)(F)F ZINC000655919268 530112382 /nfs/dbraw/zinc/11/23/82/530112382.db2.gz OYKJVUDHFOBPJT-SNVBAGLBSA-N 1 0 385.368 -0.279 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655920359 530112407 /nfs/dbraw/zinc/11/24/07/530112407.db2.gz IMQDMDYAGLBVBR-JTQLQIEISA-N 1 0 376.401 -0.431 20 0 GBADRO COCCCS(=O)(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655920360 530112282 /nfs/dbraw/zinc/11/22/82/530112282.db2.gz IMQDMDYAGLBVBR-SNVBAGLBSA-N 1 0 376.401 -0.431 20 0 GBADRO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922835 1072338470 /nfs/dbraw/zinc/33/84/70/1072338470.db2.gz SUGSXBXHJRWPQS-NEPJUHHUSA-N 1 0 389.378 -0.222 20 0 GBADRO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922837 1072338846 /nfs/dbraw/zinc/33/88/46/1072338846.db2.gz SUGSXBXHJRWPQS-NWDGAFQWSA-N 1 0 389.378 -0.222 20 0 GBADRO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922839 1072338678 /nfs/dbraw/zinc/33/86/78/1072338678.db2.gz SUGSXBXHJRWPQS-RYUDHWBXSA-N 1 0 389.378 -0.222 20 0 GBADRO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922840 1072338801 /nfs/dbraw/zinc/33/88/01/1072338801.db2.gz SUGSXBXHJRWPQS-VXGBXAGGSA-N 1 0 389.378 -0.222 20 0 GBADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000655923416 530112461 /nfs/dbraw/zinc/11/24/61/530112461.db2.gz WUIPUBBEWQUSNF-GHMZBOCLSA-N 1 0 388.412 -0.288 20 0 GBADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000655923417 530112269 /nfs/dbraw/zinc/11/22/69/530112269.db2.gz WUIPUBBEWQUSNF-MNOVXSKESA-N 1 0 388.412 -0.288 20 0 GBADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000655923418 530112527 /nfs/dbraw/zinc/11/25/27/530112527.db2.gz WUIPUBBEWQUSNF-QWRGUYRKSA-N 1 0 388.412 -0.288 20 0 GBADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(F)(F)F ZINC000655923419 530112205 /nfs/dbraw/zinc/11/22/05/530112205.db2.gz WUIPUBBEWQUSNF-WDEREUQCSA-N 1 0 388.412 -0.288 20 0 GBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655927883 530112141 /nfs/dbraw/zinc/11/21/41/530112141.db2.gz JNQLBNWIFUNAPR-GHMZBOCLSA-N 1 0 390.428 -0.042 20 0 GBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655927885 530112146 /nfs/dbraw/zinc/11/21/46/530112146.db2.gz JNQLBNWIFUNAPR-MNOVXSKESA-N 1 0 390.428 -0.042 20 0 GBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655927888 530112489 /nfs/dbraw/zinc/11/24/89/530112489.db2.gz JNQLBNWIFUNAPR-QWRGUYRKSA-N 1 0 390.428 -0.042 20 0 GBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655927892 530112181 /nfs/dbraw/zinc/11/21/81/530112181.db2.gz JNQLBNWIFUNAPR-WDEREUQCSA-N 1 0 390.428 -0.042 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000655956179 1072345476 /nfs/dbraw/zinc/34/54/76/1072345476.db2.gz OPCHOIVZSBMNDD-UHFFFAOYSA-N 1 0 385.428 -0.416 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000655956240 1072346123 /nfs/dbraw/zinc/34/61/23/1072346123.db2.gz RHGQBKIVGFZEOS-UHFFFAOYSA-N 1 0 387.419 -0.113 20 0 GBADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655956892 1072346093 /nfs/dbraw/zinc/34/60/93/1072346093.db2.gz HLCCMXKKRATMCH-LLVKDONJSA-N 1 0 394.375 -0.047 20 0 GBADRO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655956893 1072345626 /nfs/dbraw/zinc/34/56/26/1072345626.db2.gz HLCCMXKKRATMCH-NSHDSACASA-N 1 0 394.375 -0.047 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C(F)(F)F ZINC000655957016 1072346103 /nfs/dbraw/zinc/34/61/03/1072346103.db2.gz LIVOAIWPFRDIIA-GFCCVEGCSA-N 1 0 387.362 -0.437 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C(F)(F)F ZINC000655957017 1072345563 /nfs/dbraw/zinc/34/55/63/1072345563.db2.gz LIVOAIWPFRDIIA-LBPRGKRZSA-N 1 0 387.362 -0.437 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1F ZINC000655957026 530112773 /nfs/dbraw/zinc/11/27/73/530112773.db2.gz LPKUWEGUAWEDFX-SECBINFHSA-N 1 0 386.327 -0.322 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1F ZINC000655957027 530112555 /nfs/dbraw/zinc/11/25/55/530112555.db2.gz LPKUWEGUAWEDFX-VIFPVBQESA-N 1 0 386.327 -0.322 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000655957692 530112674 /nfs/dbraw/zinc/11/26/74/530112674.db2.gz CQCFEAWLZAPGDC-JTQLQIEISA-N 1 0 382.364 -0.105 20 0 GBADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1C ZINC000655957693 530112607 /nfs/dbraw/zinc/11/26/07/530112607.db2.gz CQCFEAWLZAPGDC-SNVBAGLBSA-N 1 0 382.364 -0.105 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2 ZINC000655958615 1072345890 /nfs/dbraw/zinc/34/58/90/1072345890.db2.gz NJSWMPFWIDCSJE-LLVKDONJSA-N 1 0 394.375 -0.510 20 0 GBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2 ZINC000655958620 1072345720 /nfs/dbraw/zinc/34/57/20/1072345720.db2.gz NJSWMPFWIDCSJE-NSHDSACASA-N 1 0 394.375 -0.510 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000655958813 530112602 /nfs/dbraw/zinc/11/26/02/530112602.db2.gz PHFFOBYEHOZROX-JTQLQIEISA-N 1 0 382.364 -0.153 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1C ZINC000655958817 530112788 /nfs/dbraw/zinc/11/27/88/530112788.db2.gz PHFFOBYEHOZROX-SNVBAGLBSA-N 1 0 382.364 -0.153 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1-n1nnnc1C ZINC000655958930 1072346680 /nfs/dbraw/zinc/34/66/80/1072346680.db2.gz QKDFQKZOXUNATL-LLVKDONJSA-N 1 0 387.322 -0.076 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1-n1nnnc1C ZINC000655958938 1072347016 /nfs/dbraw/zinc/34/70/16/1072347016.db2.gz QKDFQKZOXUNATL-NSHDSACASA-N 1 0 387.322 -0.076 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1S(N)(=O)=O ZINC000655959554 530112890 /nfs/dbraw/zinc/11/28/90/530112890.db2.gz WKEUJRPRNKTOIM-JTQLQIEISA-N 1 0 382.364 -0.159 20 0 GBADRO CCc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1S(N)(=O)=O ZINC000655959556 530112837 /nfs/dbraw/zinc/11/28/37/530112837.db2.gz WKEUJRPRNKTOIM-SNVBAGLBSA-N 1 0 382.364 -0.159 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1C ZINC000655959789 530112819 /nfs/dbraw/zinc/11/28/19/530112819.db2.gz SOZWUUJHPHHBFA-JTQLQIEISA-N 1 0 382.364 -0.153 20 0 GBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1C ZINC000655959790 530112899 /nfs/dbraw/zinc/11/28/99/530112899.db2.gz SOZWUUJHPHHBFA-SNVBAGLBSA-N 1 0 382.364 -0.153 20 0 GBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655960159 530112595 /nfs/dbraw/zinc/11/25/95/530112595.db2.gz ZZQUZYGDOPWBEB-JTQLQIEISA-N 1 0 382.364 -0.153 20 0 GBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655960160 530112646 /nfs/dbraw/zinc/11/26/46/530112646.db2.gz ZZQUZYGDOPWBEB-SNVBAGLBSA-N 1 0 382.364 -0.153 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655960208 530112802 /nfs/dbraw/zinc/11/28/02/530112802.db2.gz WXESMGKQXXDXKC-JTQLQIEISA-N 1 0 382.364 -0.119 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655960209 530112853 /nfs/dbraw/zinc/11/28/53/530112853.db2.gz WXESMGKQXXDXKC-SNVBAGLBSA-N 1 0 382.364 -0.119 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000655967268 1072348118 /nfs/dbraw/zinc/34/81/18/1072348118.db2.gz RJNSELPHMCJJPC-GFCCVEGCSA-N 1 0 390.414 -0.517 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000655967269 1072347826 /nfs/dbraw/zinc/34/78/26/1072347826.db2.gz RJNSELPHMCJJPC-LBPRGKRZSA-N 1 0 390.414 -0.517 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000655968023 1072348076 /nfs/dbraw/zinc/34/80/76/1072348076.db2.gz KVSYLPJYILJMAA-UHFFFAOYSA-N 1 0 376.509 -0.137 20 0 GBADRO CC(C)(C)n1nnc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000655971692 1072348462 /nfs/dbraw/zinc/34/84/62/1072348462.db2.gz LWQWLFVRNFTQLA-CYBMUJFWSA-N 1 0 378.481 -0.219 20 0 GBADRO CC(C)(C)n1nnc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000655971693 1072348398 /nfs/dbraw/zinc/34/83/98/1072348398.db2.gz LWQWLFVRNFTQLA-ZDUSSCGKSA-N 1 0 378.481 -0.219 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000655974901 1072350406 /nfs/dbraw/zinc/35/04/06/1072350406.db2.gz RTOHPNRXFNNWDQ-CVEARBPZSA-N 1 0 385.534 -0.368 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000655974904 1072350549 /nfs/dbraw/zinc/35/05/49/1072350549.db2.gz RTOHPNRXFNNWDQ-HOTGVXAUSA-N 1 0 385.534 -0.368 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000655974905 1072350357 /nfs/dbraw/zinc/35/03/57/1072350357.db2.gz RTOHPNRXFNNWDQ-HZPDHXFCSA-N 1 0 385.534 -0.368 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000655974908 1072350228 /nfs/dbraw/zinc/35/02/28/1072350228.db2.gz RTOHPNRXFNNWDQ-JKSUJKDBSA-N 1 0 385.534 -0.368 20 0 GBADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000656019240 1072377056 /nfs/dbraw/zinc/37/70/56/1072377056.db2.gz DDBKJVYQLKKTME-CYBMUJFWSA-N 1 0 376.413 -0.817 20 0 GBADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000656019252 1072376984 /nfs/dbraw/zinc/37/69/84/1072376984.db2.gz DDBKJVYQLKKTME-ZDUSSCGKSA-N 1 0 376.413 -0.817 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000656019775 1072379209 /nfs/dbraw/zinc/37/92/09/1072379209.db2.gz JHOHBEZCZRHVFQ-UHFFFAOYSA-N 1 0 386.460 -0.845 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)nc1 ZINC000656025183 1072380918 /nfs/dbraw/zinc/38/09/18/1072380918.db2.gz BMGZDSQCBMLLCS-HNNXBMFYSA-N 1 0 377.445 -0.350 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)nc1 ZINC000656025184 1072380933 /nfs/dbraw/zinc/38/09/33/1072380933.db2.gz BMGZDSQCBMLLCS-OAHLLOKOSA-N 1 0 377.445 -0.350 20 0 GBADRO Cc1cnc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000656026099 1072380671 /nfs/dbraw/zinc/38/06/71/1072380671.db2.gz BYPFUCLSJFRWGZ-HNNXBMFYSA-N 1 0 375.473 -0.329 20 0 GBADRO Cc1cnc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000656026100 1072380798 /nfs/dbraw/zinc/38/07/98/1072380798.db2.gz BYPFUCLSJFRWGZ-OAHLLOKOSA-N 1 0 375.473 -0.329 20 0 GBADRO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000656026108 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O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(c2c(F)cccc2F)CC1 ZINC000656086420 1072410468 /nfs/dbraw/zinc/41/04/68/1072410468.db2.gz XZNLYGXXNOULCC-UONOGXRCSA-N 1 0 394.422 -0.109 20 0 GBADRO COc1c(C)cccc1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000656086582 1072410456 /nfs/dbraw/zinc/41/04/56/1072410456.db2.gz CVKLVVSFDQTFDB-UHFFFAOYSA-N 1 0 376.457 -0.148 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000656086656 1072410206 /nfs/dbraw/zinc/41/02/06/1072410206.db2.gz GHCDBCZUCCKBRG-GOSISDBHSA-N 1 0 375.477 -0.592 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000656086657 1072410120 /nfs/dbraw/zinc/41/01/20/1072410120.db2.gz GHCDBCZUCCKBRG-SFHVURJKSA-N 1 0 375.477 -0.592 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)nc1 ZINC000656086706 1072410672 /nfs/dbraw/zinc/41/06/72/1072410672.db2.gz HWFBJAQMVAOODY-LSDHHAIUSA-N 1 0 389.456 -0.568 20 0 GBADRO CC(C)(C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1)C(N)=O ZINC000656087233 1072411354 /nfs/dbraw/zinc/41/13/54/1072411354.db2.gz AOEPTZDMCSCHDH-QLFBSQMISA-N 1 0 380.489 -0.596 20 0 GBADRO CC(C)(C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1)C(N)=O ZINC000656087236 1072411446 /nfs/dbraw/zinc/41/14/46/1072411446.db2.gz AOEPTZDMCSCHDH-SOUVJXGZSA-N 1 0 380.489 -0.596 20 0 GBADRO CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000656088438 1072411204 /nfs/dbraw/zinc/41/12/04/1072411204.db2.gz KLUJDYYRFHTPHR-GBESFXJTSA-N 1 0 386.496 -0.351 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C(F)(F)F)O1 ZINC000656088923 1072410476 /nfs/dbraw/zinc/41/04/76/1072410476.db2.gz OVEVTWKRLKWFJW-QJPTWQEYSA-N 1 0 379.379 -0.168 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C(F)(F)F)O1 ZINC000656088926 1072410579 /nfs/dbraw/zinc/41/05/79/1072410579.db2.gz OVEVTWKRLKWFJW-TUAOUCFPSA-N 1 0 379.379 -0.168 20 0 GBADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000656090086 1072411387 /nfs/dbraw/zinc/41/13/87/1072411387.db2.gz XYDKIBCWPYUCJL-CLWJZODNSA-N 1 0 391.443 -0.410 20 0 GBADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000656090087 1072411165 /nfs/dbraw/zinc/41/11/65/1072411165.db2.gz XYDKIBCWPYUCJL-PFRQMTDMSA-N 1 0 391.443 -0.410 20 0 GBADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000656090088 1072411377 /nfs/dbraw/zinc/41/13/77/1072411377.db2.gz XYDKIBCWPYUCJL-TVKQPGBESA-N 1 0 391.443 -0.410 20 0 GBADRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000656090089 1072411426 /nfs/dbraw/zinc/41/14/26/1072411426.db2.gz XYDKIBCWPYUCJL-XLSPSMHOSA-N 1 0 391.443 -0.410 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)nc1 ZINC000656102954 1072412702 /nfs/dbraw/zinc/41/27/02/1072412702.db2.gz RAZPGCMQCHPQEG-UKRRQHHQSA-N 1 0 377.445 -0.271 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)nc1 ZINC000656102955 1072413125 /nfs/dbraw/zinc/41/31/25/1072413125.db2.gz RAZPGCMQCHPQEG-ZFWWWQNUSA-N 1 0 377.445 -0.271 20 0 GBADRO COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103614 1072412623 /nfs/dbraw/zinc/41/26/23/1072412623.db2.gz ALPXCYKVXZAIMF-UXLLHSPISA-N 1 0 388.468 -0.555 20 0 GBADRO COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103615 1072413148 /nfs/dbraw/zinc/41/31/48/1072413148.db2.gz ALPXCYKVXZAIMF-ZMSDIMECSA-N 1 0 388.468 -0.555 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000656103631 1072413018 /nfs/dbraw/zinc/41/30/18/1072413018.db2.gz BAYNFXIPJVAZNY-HNNXBMFYSA-N 1 0 375.477 -0.688 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000656103632 1072413388 /nfs/dbraw/zinc/41/33/88/1072413388.db2.gz BAYNFXIPJVAZNY-OAHLLOKOSA-N 1 0 375.477 -0.688 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000656103778 1072413369 /nfs/dbraw/zinc/41/33/69/1072413369.db2.gz CEUDBSBRMWKQMN-LSDHHAIUSA-N 1 0 375.477 -0.688 20 0 GBADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000656103911 1072412842 /nfs/dbraw/zinc/41/28/42/1072412842.db2.gz CSHHUYWFTNPAOU-INIZCTEOSA-N 1 0 393.532 -0.258 20 0 GBADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000656103913 1072413198 /nfs/dbraw/zinc/41/31/98/1072413198.db2.gz CSHHUYWFTNPAOU-MRXNPFEDSA-N 1 0 393.532 -0.258 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000656104005 1072413098 /nfs/dbraw/zinc/41/30/98/1072413098.db2.gz FMLYMHGPIFZLTE-CVEARBPZSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000656104006 1072412601 /nfs/dbraw/zinc/41/26/01/1072412601.db2.gz FMLYMHGPIFZLTE-HOTGVXAUSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000656104007 1072412938 /nfs/dbraw/zinc/41/29/38/1072412938.db2.gz FMLYMHGPIFZLTE-HZPDHXFCSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000656104008 1072413110 /nfs/dbraw/zinc/41/31/10/1072413110.db2.gz FMLYMHGPIFZLTE-JKSUJKDBSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000656104205 1072412878 /nfs/dbraw/zinc/41/28/78/1072412878.db2.gz KEDPBCWVHLIDGH-HNNXBMFYSA-N 1 0 389.504 -0.300 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000656104206 1072412874 /nfs/dbraw/zinc/41/28/74/1072412874.db2.gz KEDPBCWVHLIDGH-OAHLLOKOSA-N 1 0 389.504 -0.300 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000656104262 1072412683 /nfs/dbraw/zinc/41/26/83/1072412683.db2.gz MIGXEXDGTMKVIW-UHFFFAOYSA-N 1 0 385.472 -0.159 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000656104281 1072412836 /nfs/dbraw/zinc/41/28/36/1072412836.db2.gz MVRBLRUWQWUHOX-HOTGVXAUSA-N 1 0 389.504 -0.156 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000656104282 1072412760 /nfs/dbraw/zinc/41/27/60/1072412760.db2.gz MVRBLRUWQWUHOX-HZPDHXFCSA-N 1 0 389.504 -0.156 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000656104283 1072413417 /nfs/dbraw/zinc/41/34/17/1072413417.db2.gz MVRBLRUWQWUHOX-JKSUJKDBSA-N 1 0 389.504 -0.156 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000656104324 1072412891 /nfs/dbraw/zinc/41/28/91/1072412891.db2.gz NRQCYTBHMXZVGL-HNNXBMFYSA-N 1 0 375.477 -0.546 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000656104325 1072412989 /nfs/dbraw/zinc/41/29/89/1072412989.db2.gz NRQCYTBHMXZVGL-OAHLLOKOSA-N 1 0 375.477 -0.546 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ncc(C)cn3)CC2)C[C@H]1C[NH3+] ZINC000656104331 1072412963 /nfs/dbraw/zinc/41/29/63/1072412963.db2.gz NZSLVJFMSISMTL-GDBMZVCRSA-N 1 0 391.472 -0.023 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000656104629 1072412775 /nfs/dbraw/zinc/41/27/75/1072412775.db2.gz SROOZNRFOIAHMP-INIZCTEOSA-N 1 0 383.456 -0.452 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000656104630 1072413431 /nfs/dbraw/zinc/41/34/31/1072413431.db2.gz SROOZNRFOIAHMP-MRXNPFEDSA-N 1 0 383.456 -0.452 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000656104684 1072413066 /nfs/dbraw/zinc/41/30/66/1072413066.db2.gz UYNRTVFKUWHKMC-UHFFFAOYSA-N 1 0 375.477 -0.546 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)nc1 ZINC000656104776 1072413830 /nfs/dbraw/zinc/41/38/30/1072413830.db2.gz VDRQRHHRZTXKAZ-HNNXBMFYSA-N 1 0 377.445 -0.269 20 0 GBADRO Cc1cnc(OC2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)nc1 ZINC000656104779 1072414210 /nfs/dbraw/zinc/41/42/10/1072414210.db2.gz VDRQRHHRZTXKAZ-OAHLLOKOSA-N 1 0 377.445 -0.269 20 0 GBADRO Cn1nnc2c1CC[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC000656114805 1072419414 /nfs/dbraw/zinc/41/94/14/1072419414.db2.gz DDVWYGFRXSWBIS-AWEZNQCLSA-N 1 0 377.493 -0.036 20 0 GBADRO Cn1nnc2c1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C2 ZINC000656114806 1072419461 /nfs/dbraw/zinc/41/94/61/1072419461.db2.gz DDVWYGFRXSWBIS-CQSZACIVSA-N 1 0 377.493 -0.036 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000656115022 1072418593 /nfs/dbraw/zinc/41/85/93/1072418593.db2.gz PFEWZFGSWDUSLM-UHFFFAOYSA-N 1 0 392.508 -0.361 20 0 GBADRO Cn1nnc2c1CC[C@H](NC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000656131724 1072428598 /nfs/dbraw/zinc/42/85/98/1072428598.db2.gz BFVVBAGRZPVCDZ-AWEZNQCLSA-N 1 0 375.477 -0.378 20 0 GBADRO Cn1nnc2c1CC[C@@H](NC(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)C2 ZINC000656131727 1072428614 /nfs/dbraw/zinc/42/86/14/1072428614.db2.gz BFVVBAGRZPVCDZ-CQSZACIVSA-N 1 0 375.477 -0.378 20 0 GBADRO COCC[N@H+](C)C[C@H](O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000656150027 1072436010 /nfs/dbraw/zinc/43/60/10/1072436010.db2.gz FZZGZDQSFLCASA-HNNXBMFYSA-N 1 0 390.506 -0.540 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000656150028 1072435995 /nfs/dbraw/zinc/43/59/95/1072435995.db2.gz FZZGZDQSFLCASA-OAHLLOKOSA-N 1 0 390.506 -0.540 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)nc2)CC1 ZINC000656218144 1072460681 /nfs/dbraw/zinc/46/06/81/1072460681.db2.gz ATJYPTWZIIVSQG-LSDHHAIUSA-N 1 0 381.502 -0.727 20 0 GBADRO NS(=O)(=O)c1cc(Br)cnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656218652 530116091 /nfs/dbraw/zinc/11/60/91/530116091.db2.gz FATBHDVRJIGELI-VHSXEESVSA-N 1 0 377.264 -0.253 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@@H](N2CCOCC2)C1 ZINC000656254854 1072473998 /nfs/dbraw/zinc/47/39/98/1072473998.db2.gz FEUZYUCRWYXTBG-BZSNNMDCSA-N 1 0 387.546 -0.283 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)[C@H](N2CCOCC2)C1 ZINC000656254860 1072473858 /nfs/dbraw/zinc/47/38/58/1072473858.db2.gz FEUZYUCRWYXTBG-FGTMMUONSA-N 1 0 387.546 -0.283 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@H](N2CCOCC2)C1 ZINC000656254861 1072473781 /nfs/dbraw/zinc/47/37/81/1072473781.db2.gz FEUZYUCRWYXTBG-OKZBNKHCSA-N 1 0 387.546 -0.283 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)[C@@H](N2CCOCC2)C1 ZINC000656254862 1072474063 /nfs/dbraw/zinc/47/40/63/1072474063.db2.gz FEUZYUCRWYXTBG-SQNIBIBYSA-N 1 0 387.546 -0.283 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000656282367 1072483831 /nfs/dbraw/zinc/48/38/31/1072483831.db2.gz LWMGLXCUASYXBQ-LSDHHAIUSA-N 1 0 377.441 -0.360 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000656282842 1072484010 /nfs/dbraw/zinc/48/40/10/1072484010.db2.gz QFAWUYSKGXYEHR-UHFFFAOYSA-N 1 0 377.493 -0.111 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000656283311 1072483921 /nfs/dbraw/zinc/48/39/21/1072483921.db2.gz 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ZINC000656286722 1072485894 /nfs/dbraw/zinc/48/58/94/1072485894.db2.gz QIVOGKLAQNSUNJ-QGZVFWFLSA-N 1 0 397.483 -0.146 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000656286770 1072485831 /nfs/dbraw/zinc/48/58/31/1072485831.db2.gz REUQTEHKBNRVSU-OKILXGFUSA-N 1 0 393.488 -0.186 20 0 GBADRO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 ZINC000656286794 1072485727 /nfs/dbraw/zinc/48/57/27/1072485727.db2.gz VZWSMKSGQOIYAV-UHFFFAOYSA-N 1 0 377.493 -0.298 20 0 GBADRO Cn1ccnc1[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656286946 1072485624 /nfs/dbraw/zinc/48/56/24/1072485624.db2.gz HKKQZHOYCJYGFM-BBWFWOEESA-N 1 0 383.452 -0.097 20 0 GBADRO Cn1ccnc1[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000656286947 1072485866 /nfs/dbraw/zinc/48/58/66/1072485866.db2.gz HKKQZHOYCJYGFM-GVDBMIGSSA-N 1 0 383.452 -0.097 20 0 GBADRO COc1cc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(OC)c1OC ZINC000656287096 1072485846 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/nfs/dbraw/zinc/49/44/45/1072494445.db2.gz ZHLSAXMDYLZVHE-DLBZAZTESA-N 1 0 398.467 -0.222 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656293622 1072494459 /nfs/dbraw/zinc/49/44/59/1072494459.db2.gz LGZCWWBURCTPPP-UHFFFAOYSA-N 1 0 380.497 -0.814 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656294196 1072494321 /nfs/dbraw/zinc/49/43/21/1072494321.db2.gz RDGJCUSANRKTBM-YESZJQIVSA-N 1 0 397.564 -0.258 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656294197 1072494352 /nfs/dbraw/zinc/49/43/52/1072494352.db2.gz RDGJCUSANRKTBM-ZACQAIPSSA-N 1 0 397.564 -0.258 20 0 GBADRO O=C(NCc1ccc(N2CCCCC2)nc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294533 1072494419 /nfs/dbraw/zinc/49/44/19/1072494419.db2.gz UERBDCLFMYREIK-DLBZAZTESA-N 1 0 387.484 -0.035 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000656294652 1072494278 /nfs/dbraw/zinc/49/42/78/1072494278.db2.gz WXVBPUGQWQHHEM-UHFFFAOYSA-N 1 0 389.504 -0.013 20 0 GBADRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000656294900 1072495218 /nfs/dbraw/zinc/49/52/18/1072495218.db2.gz YDBRCTLJOQQQLC-JKSUJKDBSA-N 1 0 375.473 -0.179 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656295090 1072493149 /nfs/dbraw/zinc/49/31/49/1072493149.db2.gz FDHTUNCALLXODM-OKILXGFUSA-N 1 0 382.486 -0.333 20 0 GBADRO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656295408 1072496260 /nfs/dbraw/zinc/49/62/60/1072496260.db2.gz JABWQHOXOXIGQZ-DLBZAZTESA-N 1 0 388.468 -0.280 20 0 GBADRO COc1cccc(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1OC ZINC000656295732 1072495142 /nfs/dbraw/zinc/49/51/42/1072495142.db2.gz CNYYDDBVHOEWOH-LSDHHAIUSA-N 1 0 377.441 -0.360 20 0 GBADRO COCCOc1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000656296158 1072493839 /nfs/dbraw/zinc/49/38/39/1072493839.db2.gz GGBXNBVVTKQSFM-LSDHHAIUSA-N 1 0 378.429 -1.000 20 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C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656296262 1072496167 /nfs/dbraw/zinc/49/61/67/1072496167.db2.gz RIUPXACPCWEQEZ-HZPDHXFCSA-N 1 0 391.520 -0.052 20 0 GBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3nncn3C)CC2)C1 ZINC000656296263 1072496012 /nfs/dbraw/zinc/49/60/12/1072496012.db2.gz RIUPXACPCWEQEZ-IYBDPMFKSA-N 1 0 391.520 -0.052 20 0 GBADRO COCCOc1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656296343 1072495098 /nfs/dbraw/zinc/49/50/98/1072495098.db2.gz HXWWFCJPYARMQN-JKSUJKDBSA-N 1 0 377.441 -0.395 20 0 GBADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000656296585 1072494973 /nfs/dbraw/zinc/49/49/73/1072494973.db2.gz LXZMNKAFFHMZKO-UHFFFAOYSA-N 1 0 381.521 -0.354 20 0 GBADRO COCCOc1ncccc1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296790 1072495233 /nfs/dbraw/zinc/49/52/33/1072495233.db2.gz OGXAGWLNZZTLFH-LSDHHAIUSA-N 1 0 378.429 -1.000 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656296807 1072495488 /nfs/dbraw/zinc/49/54/88/1072495488.db2.gz OQNOJBNWEAFEJM-YESZJQIVSA-N 1 0 384.521 -0.171 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656296808 1072495516 /nfs/dbraw/zinc/49/55/16/1072495516.db2.gz OQNOJBNWEAFEJM-ZACQAIPSSA-N 1 0 384.521 -0.171 20 0 GBADRO COCCOc1cccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656296950 1072495031 /nfs/dbraw/zinc/49/50/31/1072495031.db2.gz PLPPNZHFJJLKBS-JKSUJKDBSA-N 1 0 377.441 -0.395 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297072 1072496065 /nfs/dbraw/zinc/49/60/65/1072496065.db2.gz SEKLLRUGLLEKNV-KURKYZTESA-N 1 0 397.564 -0.256 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656297073 1072496116 /nfs/dbraw/zinc/49/61/16/1072496116.db2.gz SEKLLRUGLLEKNV-OKZBNKHCSA-N 1 0 397.564 -0.256 20 0 GBADRO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656297156 1072496186 /nfs/dbraw/zinc/49/61/86/1072496186.db2.gz UVYREVABRWWWAD-DLBZAZTESA-N 1 0 394.516 -0.193 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000656298534 1072497519 /nfs/dbraw/zinc/49/75/19/1072497519.db2.gz HGOUDLCUZUBLEF-INIZCTEOSA-N 1 0 381.506 -0.983 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000656298535 1072496931 /nfs/dbraw/zinc/49/69/31/1072496931.db2.gz HGOUDLCUZUBLEF-MRXNPFEDSA-N 1 0 381.506 -0.983 20 0 GBADRO O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656298626 1072496972 /nfs/dbraw/zinc/49/69/72/1072496972.db2.gz QZMGWODMXNMDCV-ZWKOTPCHSA-N 1 0 383.452 -0.175 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656298965 1072497102 /nfs/dbraw/zinc/49/71/02/1072497102.db2.gz WFKYNRDMRJYVOW-CABCVRRESA-N 1 0 388.534 -0.093 20 0 GBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 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/nfs/dbraw/zinc/49/72/24/1072497224.db2.gz OWYZKZWOPTWBOX-QLFBSQMISA-N 1 0 377.441 -0.144 20 0 GBADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656299251 1072496946 /nfs/dbraw/zinc/49/69/46/1072496946.db2.gz OWYZKZWOPTWBOX-SOUVJXGZSA-N 1 0 377.441 -0.144 20 0 GBADRO O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299324 1072497187 /nfs/dbraw/zinc/49/71/87/1072497187.db2.gz QFFLNCUEPDUKIS-DLBZAZTESA-N 1 0 386.452 -0.293 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000656299406 1072498085 /nfs/dbraw/zinc/49/80/85/1072498085.db2.gz SCPZQTFVTMYERN-UHFFFAOYSA-N 1 0 375.477 -0.546 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000656299672 1072498280 /nfs/dbraw/zinc/49/82/80/1072498280.db2.gz XWJIOCRFQBTYJC-UHFFFAOYSA-N 1 0 385.472 -0.158 20 0 GBADRO O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299743 1072498203 /nfs/dbraw/zinc/49/82/03/1072498203.db2.gz YWIARHHKUHNVJY-ZWKOTPCHSA-N 1 0 383.452 -0.175 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299992 1072498650 /nfs/dbraw/zinc/49/86/50/1072498650.db2.gz GORQWIOBYKKUOD-TVFCKZIOSA-N 1 0 397.564 -0.400 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299993 1072498097 /nfs/dbraw/zinc/49/80/97/1072498097.db2.gz GORQWIOBYKKUOD-XDNAFOTISA-N 1 0 397.564 -0.400 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000656299994 1072498681 /nfs/dbraw/zinc/49/86/81/1072498681.db2.gz GORQWIOBYKKUOD-XLAORIBOSA-N 1 0 397.564 -0.400 20 0 GBADRO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656299995 1072498558 /nfs/dbraw/zinc/49/85/58/1072498558.db2.gz GORQWIOBYKKUOD-XWTMOSNGSA-N 1 0 397.564 -0.400 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000656300635 1072498618 /nfs/dbraw/zinc/49/86/18/1072498618.db2.gz SAYIMFZDHRGJFY-OKILXGFUSA-N 1 0 378.477 -0.656 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000656301001 1072499322 /nfs/dbraw/zinc/49/93/22/1072499322.db2.gz GHXHTDFJWCMDCH-DAYGRLMNSA-N 1 0 384.546 -0.233 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000656301019 1072499634 /nfs/dbraw/zinc/49/96/34/1072499634.db2.gz GHXHTDFJWCMDCH-RVKKMQEKSA-N 1 0 384.546 -0.233 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000656301164 1072498267 /nfs/dbraw/zinc/49/82/67/1072498267.db2.gz YRWNSGHSQJZAJP-KRWDZBQOSA-N 1 0 399.499 -0.247 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000656301166 1072498490 /nfs/dbraw/zinc/49/84/90/1072498490.db2.gz YRWNSGHSQJZAJP-QGZVFWFLSA-N 1 0 399.499 -0.247 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656301229 1072498514 /nfs/dbraw/zinc/49/85/14/1072498514.db2.gz ZIVBCONUAOQXGQ-AWEZNQCLSA-N 1 0 394.524 -0.566 20 0 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ZINC000656316708 1072509313 /nfs/dbraw/zinc/50/93/13/1072509313.db2.gz TYHPGQDLPRPEQZ-OAHLLOKOSA-N 1 0 377.493 -0.156 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000656316740 1072509295 /nfs/dbraw/zinc/50/92/95/1072509295.db2.gz UIZLVZJWEODVNX-AWEZNQCLSA-N 1 0 379.509 -0.054 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000656316742 1072508419 /nfs/dbraw/zinc/50/84/19/1072508419.db2.gz UIZLVZJWEODVNX-CQSZACIVSA-N 1 0 379.509 -0.054 20 0 GBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317410 1072509523 /nfs/dbraw/zinc/50/95/23/1072509523.db2.gz XDVKIHZQZSKTAG-CYBMUJFWSA-N 1 0 392.508 -0.671 20 0 GBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000656317416 1072510254 /nfs/dbraw/zinc/51/02/54/1072510254.db2.gz XDVKIHZQZSKTAG-ZDUSSCGKSA-N 1 0 392.508 -0.671 20 0 GBADRO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656317446 1072510111 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CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656353684 1072525069 /nfs/dbraw/zinc/52/50/69/1072525069.db2.gz BWYVYZFBGMCLPC-HUUCEWRRSA-N 1 0 379.505 -0.472 20 0 GBADRO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656353686 1072525168 /nfs/dbraw/zinc/52/51/68/1072525168.db2.gz BWYVYZFBGMCLPC-LSDHHAIUSA-N 1 0 379.505 -0.472 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656355162 1072526681 /nfs/dbraw/zinc/52/66/81/1072526681.db2.gz JWWNLHXAQFLQHL-ILXRZTDVSA-N 1 0 386.518 -0.340 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656355163 1072526467 /nfs/dbraw/zinc/52/64/67/1072526467.db2.gz JWWNLHXAQFLQHL-KFWWJZLASA-N 1 0 386.518 -0.340 20 0 GBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656355164 1072526371 /nfs/dbraw/zinc/52/63/71/1072526371.db2.gz JWWNLHXAQFLQHL-QLFBSQMISA-N 1 0 386.518 -0.340 20 0 GBADRO 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ZINC000657071749 1072206149 /nfs/dbraw/zinc/20/61/49/1072206149.db2.gz UJZHMDQMAQRNQS-LBPRGKRZSA-N 1 0 397.501 -0.233 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@]1(OCCO)CCOC1 ZINC000657087752 1072219967 /nfs/dbraw/zinc/21/99/67/1072219967.db2.gz XRVOZEYJOJTKBK-INIZCTEOSA-N 1 0 390.506 -0.492 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]1(OCCO)CCOC1 ZINC000657087753 1072219812 /nfs/dbraw/zinc/21/98/12/1072219812.db2.gz XRVOZEYJOJTKBK-MRXNPFEDSA-N 1 0 390.506 -0.492 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657090231 530124476 /nfs/dbraw/zinc/12/44/76/530124476.db2.gz AMJAYISEARYFDU-UHFFFAOYSA-N 1 0 398.595 -0.539 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657091196 530124521 /nfs/dbraw/zinc/12/45/21/530124521.db2.gz JXUYHDSNJFDGFW-UHFFFAOYSA-N 1 0 378.520 -0.353 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000657091235 530124419 /nfs/dbraw/zinc/12/44/19/530124419.db2.gz KOYIIVWWFUGIQQ-UHFFFAOYSA-N 1 0 378.520 -0.504 20 0 GBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000657091264 530124316 /nfs/dbraw/zinc/12/43/16/530124316.db2.gz LGIJYKODRVAZEX-UHFFFAOYSA-N 1 0 392.547 -0.244 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000657092158 1072223256 /nfs/dbraw/zinc/22/32/56/1072223256.db2.gz DXQNZVBDSOBBTH-UHFFFAOYSA-N 1 0 383.474 -0.622 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1 ZINC000657092164 530124942 /nfs/dbraw/zinc/12/49/42/530124942.db2.gz FLROPALYUZLMPV-UHFFFAOYSA-N 1 0 392.547 -0.244 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000657092264 1072223373 /nfs/dbraw/zinc/22/33/73/1072223373.db2.gz SGUGYRKRJSGPEQ-UHFFFAOYSA-N 1 0 398.489 -0.804 20 0 GBADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000657092706 530125186 /nfs/dbraw/zinc/12/51/86/530125186.db2.gz LSFXVJZAWACFMN-UHFFFAOYSA-N 1 0 378.520 -0.504 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000657093285 530124841 /nfs/dbraw/zinc/12/48/41/530124841.db2.gz VIJYEECVVZVKTM-UHFFFAOYSA-N 1 0 392.547 -0.244 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657099331 530125601 /nfs/dbraw/zinc/12/56/01/530125601.db2.gz DYAPCBJGJVSKMH-CHWSQXEVSA-N 1 0 394.519 -0.848 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657099332 530125673 /nfs/dbraw/zinc/12/56/73/530125673.db2.gz DYAPCBJGJVSKMH-OLZOCXBDSA-N 1 0 394.519 -0.848 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657099333 530125468 /nfs/dbraw/zinc/12/54/68/530125468.db2.gz DYAPCBJGJVSKMH-QWHCGFSZSA-N 1 0 394.519 -0.848 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000657099334 530125321 /nfs/dbraw/zinc/12/53/21/530125321.db2.gz DYAPCBJGJVSKMH-STQMWFEESA-N 1 0 394.519 -0.848 20 0 GBADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)N(C)CC2CN(C)C2)c[nH]1 ZINC000657124971 1072246199 /nfs/dbraw/zinc/24/61/99/1072246199.db2.gz WSDMVDNPFWSYBY-UHFFFAOYSA-N 1 0 383.518 -0.170 20 0 GBADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000657232067 1072281796 /nfs/dbraw/zinc/28/17/96/1072281796.db2.gz JHEIEAORCXHDHD-DLBZAZTESA-N 1 0 394.516 -0.463 20 0 GBADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000657232068 1072281767 /nfs/dbraw/zinc/28/17/67/1072281767.db2.gz JHEIEAORCXHDHD-IAGOWNOFSA-N 1 0 394.516 -0.463 20 0 GBADRO CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000657232069 1072282179 /nfs/dbraw/zinc/28/21/79/1072282179.db2.gz JHEIEAORCXHDHD-IRXDYDNUSA-N 1 0 394.516 -0.463 20 0 GBADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C12CCC2 ZINC000657232070 1072281962 /nfs/dbraw/zinc/28/19/62/1072281962.db2.gz JHEIEAORCXHDHD-SJORKVTESA-N 1 0 394.516 -0.463 20 0 GBADRO Cn1cc(C[NH2+]C[C@H](O)Cn2ccnn2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657492059 1072373922 /nfs/dbraw/zinc/37/39/22/1072373922.db2.gz PZBPUTCWJFIUIX-AWEZNQCLSA-N 1 0 395.423 -0.042 20 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ZINC000657518205 1072382781 /nfs/dbraw/zinc/38/27/81/1072382781.db2.gz GJVDRZBBDJNWRY-CQSZACIVSA-N 1 0 386.474 -0.550 20 0 GBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)N1CC[NH+](C)CC1 ZINC000657518391 1072382763 /nfs/dbraw/zinc/38/27/63/1072382763.db2.gz HXSMWWZYAGCPNK-INIZCTEOSA-N 1 0 393.488 -0.221 20 0 GBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)N1CC[NH+](C)CC1 ZINC000657518392 1072383232 /nfs/dbraw/zinc/38/32/32/1072383232.db2.gz HXSMWWZYAGCPNK-MRXNPFEDSA-N 1 0 393.488 -0.221 20 0 GBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000657518684 1072383678 /nfs/dbraw/zinc/38/36/78/1072383678.db2.gz OLLKUWPWHOYUDZ-CYBMUJFWSA-N 1 0 376.388 -0.046 20 0 GBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000657518685 1072383668 /nfs/dbraw/zinc/38/36/68/1072383668.db2.gz OLLKUWPWHOYUDZ-ZDUSSCGKSA-N 1 0 376.388 -0.046 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 ZINC000657522411 1072385611 /nfs/dbraw/zinc/38/56/11/1072385611.db2.gz VUJFDAQFVKAYRN-AWEZNQCLSA-N 1 0 377.493 -0.068 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 ZINC000657522415 1072385446 /nfs/dbraw/zinc/38/54/46/1072385446.db2.gz VUJFDAQFVKAYRN-CQSZACIVSA-N 1 0 377.493 -0.068 20 0 GBADRO O=C(C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657529058 1072387978 /nfs/dbraw/zinc/38/79/78/1072387978.db2.gz HJEVTIIXCBIZLP-UHFFFAOYSA-N 1 0 381.440 -0.131 20 0 GBADRO O=C(Nc1ccnc(OCCO)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000657546766 1072391912 /nfs/dbraw/zinc/39/19/12/1072391912.db2.gz BQMCHENFTYYTJR-UHFFFAOYSA-N 1 0 391.472 -0.369 20 0 GBADRO O=C(Nc1ccnc(OCCO)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000657559339 1072393529 /nfs/dbraw/zinc/39/35/29/1072393529.db2.gz KCLXCINJWGSSGY-UHFFFAOYSA-N 1 0 392.456 -0.038 20 0 GBADRO Cn1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(=O)n(C)c1=O ZINC000657564634 530129494 /nfs/dbraw/zinc/12/94/94/530129494.db2.gz XKVARZRKDMYLQW-UHFFFAOYSA-N 1 0 396.245 -0.239 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000657577785 1072394966 /nfs/dbraw/zinc/39/49/66/1072394966.db2.gz MHNDHYWEXQRLNZ-HNNXBMFYSA-N 1 0 393.488 -0.219 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000657577786 1072394878 /nfs/dbraw/zinc/39/48/78/1072394878.db2.gz MHNDHYWEXQRLNZ-OAHLLOKOSA-N 1 0 393.488 -0.219 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657613081 1072397370 /nfs/dbraw/zinc/39/73/70/1072397370.db2.gz QUCQDGDIHMJQMB-HNNXBMFYSA-N 1 0 380.445 -0.040 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657613083 1072397449 /nfs/dbraw/zinc/39/74/49/1072397449.db2.gz QUCQDGDIHMJQMB-OAHLLOKOSA-N 1 0 380.445 -0.040 20 0 GBADRO COCc1nccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000657623299 1072399649 /nfs/dbraw/zinc/39/96/49/1072399649.db2.gz ZHNVKIVGSPLWLU-UHFFFAOYSA-N 1 0 390.444 -0.672 20 0 GBADRO CCn1ncc(C)c1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000657623301 1072399514 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1072443376 /nfs/dbraw/zinc/44/33/76/1072443376.db2.gz RLKWJTWAIGEVIB-MRXNPFEDSA-N 1 0 382.505 -0.775 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@]2(CCOC2)O1 ZINC000657741726 1072443366 /nfs/dbraw/zinc/44/33/66/1072443366.db2.gz VJDSMJMEJISFHA-GJYPPUQNSA-N 1 0 381.473 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@]2(CCOC2)O1 ZINC000657741727 1072443320 /nfs/dbraw/zinc/44/33/20/1072443320.db2.gz VJDSMJMEJISFHA-GPMSIDNRSA-N 1 0 381.473 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@]2(CCOC2)O1 ZINC000657741728 1072442995 /nfs/dbraw/zinc/44/29/95/1072442995.db2.gz VJDSMJMEJISFHA-JTDSTZFVSA-N 1 0 381.473 -0.284 20 0 GBADRO Cn1cc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c(=O)n(C)c1=O ZINC000657743765 1072445334 /nfs/dbraw/zinc/44/53/34/1072445334.db2.gz HFFWKCIOSYFTRF-FQEVSTJZSA-N 1 0 388.468 -0.563 20 0 GBADRO Cn1cc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c(=O)n(C)c1=O ZINC000657743770 1072445468 /nfs/dbraw/zinc/44/54/68/1072445468.db2.gz HFFWKCIOSYFTRF-HXUWFJFHSA-N 1 0 388.468 -0.563 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000657744446 1072445169 /nfs/dbraw/zinc/44/51/69/1072445169.db2.gz JTLKTLVLQXCEGR-GOSISDBHSA-N 1 0 397.564 -0.349 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000657744457 1072445893 /nfs/dbraw/zinc/44/58/93/1072445893.db2.gz JTLKTLVLQXCEGR-SFHVURJKSA-N 1 0 397.564 -0.349 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000657744768 1072446784 /nfs/dbraw/zinc/44/67/84/1072446784.db2.gz MCCZFJAWKVRLIY-GOSISDBHSA-N 1 0 396.532 -0.121 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000657744769 1072446355 /nfs/dbraw/zinc/44/63/55/1072446355.db2.gz MCCZFJAWKVRLIY-SFHVURJKSA-N 1 0 396.532 -0.121 20 0 GBADRO O=C(NCCN1CCC1)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000657751323 1072452293 /nfs/dbraw/zinc/45/22/93/1072452293.db2.gz QANLDGGABJZBFQ-UHFFFAOYSA-N 1 0 380.470 -0.018 20 0 GBADRO 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ZINC000657790171 1072501232 /nfs/dbraw/zinc/50/12/32/1072501232.db2.gz OSCRYDIWZSUAHB-ZDUSSCGKSA-N 1 0 377.323 -0.461 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000657799628 1072510134 /nfs/dbraw/zinc/51/01/34/1072510134.db2.gz JGLTTZPOAYWQSC-INIZCTEOSA-N 1 0 381.521 -0.356 20 0 GBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000657799630 1072509822 /nfs/dbraw/zinc/50/98/22/1072509822.db2.gz JGLTTZPOAYWQSC-MRXNPFEDSA-N 1 0 381.521 -0.356 20 0 GBADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000657803257 1072513852 /nfs/dbraw/zinc/51/38/52/1072513852.db2.gz PHKSRLCMVZJBSZ-KRWDZBQOSA-N 1 0 393.532 -0.258 20 0 GBADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000657803258 1072513317 /nfs/dbraw/zinc/51/33/17/1072513317.db2.gz PHKSRLCMVZJBSZ-QGZVFWFLSA-N 1 0 393.532 -0.258 20 0 GBADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)C1 ZINC000657803262 1072513270 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Cn1cc(-c2cccc(NC(=O)C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c2)nn1 ZINC000658046247 1072654923 /nfs/dbraw/zinc/65/49/23/1072654923.db2.gz KCFUIEPIWNPWAI-UHFFFAOYSA-N 1 0 399.455 -0.347 20 0 GBADRO CCOc1ccc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)nc1C ZINC000658047469 1072655086 /nfs/dbraw/zinc/65/50/86/1072655086.db2.gz QSJJFBWKYSOTDQ-UHFFFAOYSA-N 1 0 377.445 -0.040 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccn(C3CCOCC3)n2)CC1=O ZINC000658048303 1072654652 /nfs/dbraw/zinc/65/46/52/1072654652.db2.gz XCNLRINHWLGQFM-UHFFFAOYSA-N 1 0 392.460 -0.595 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1=O ZINC000658048494 1072654977 /nfs/dbraw/zinc/65/49/77/1072654977.db2.gz YSIQJHOQZZYZQG-UHFFFAOYSA-N 1 0 387.440 -0.857 20 0 GBADRO O=C(Nc1cncc(OCC(F)(F)F)n1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000658054058 1072655971 /nfs/dbraw/zinc/65/59/71/1072655971.db2.gz CSBKIIGMYSTDKI-VHSXEESVSA-N 1 0 389.334 -0.366 20 0 GBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000658100301 1072658549 /nfs/dbraw/zinc/65/85/49/1072658549.db2.gz DTRMEMMEASMVNM-HNNXBMFYSA-N 1 0 389.456 -0.220 20 0 GBADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCNC2=O)c1 ZINC000658104001 1072658952 /nfs/dbraw/zinc/65/89/52/1072658952.db2.gz NRSDOJWCTURISO-AWEZNQCLSA-N 1 0 375.429 -0.090 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000658115753 1072658668 /nfs/dbraw/zinc/65/86/68/1072658668.db2.gz ZGFASFBWUTUFRS-INIZCTEOSA-N 1 0 381.521 -0.448 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000658115755 1072658848 /nfs/dbraw/zinc/65/88/48/1072658848.db2.gz ZGFASFBWUTUFRS-MRXNPFEDSA-N 1 0 381.521 -0.448 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000658122341 1072659766 /nfs/dbraw/zinc/65/97/66/1072659766.db2.gz DXFQVSLSSZAEEX-AWEZNQCLSA-N 1 0 388.472 -0.055 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000658122342 1072659828 /nfs/dbraw/zinc/65/98/28/1072659828.db2.gz DXFQVSLSSZAEEX-CQSZACIVSA-N 1 0 388.472 -0.055 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000658124980 1072659881 /nfs/dbraw/zinc/65/98/81/1072659881.db2.gz SALRIAZTYQRALG-AWEZNQCLSA-N 1 0 389.456 -0.171 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000658124985 1072659839 /nfs/dbraw/zinc/65/98/39/1072659839.db2.gz SALRIAZTYQRALG-CQSZACIVSA-N 1 0 389.456 -0.171 20 0 GBADRO O=C(C(=O)N1CC[NH+](CC2CCCCC2)CC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000658147887 1072659572 /nfs/dbraw/zinc/65/95/72/1072659572.db2.gz JGMFDLRSQRIDSU-GASCZTMLSA-N 1 0 376.457 -0.558 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2COC(C)(C)C2)cn1 ZINC000658149231 1072659565 /nfs/dbraw/zinc/65/95/65/1072659565.db2.gz CLFLVOKNLQHPPR-GFCCVEGCSA-N 1 0 380.449 -0.817 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2COC(C)(C)C2)cn1 ZINC000658149232 1072659479 /nfs/dbraw/zinc/65/94/79/1072659479.db2.gz CLFLVOKNLQHPPR-LBPRGKRZSA-N 1 0 380.449 -0.817 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658179311 1072660543 /nfs/dbraw/zinc/66/05/43/1072660543.db2.gz AVJDVVFQWJIXQR-GOSISDBHSA-N 1 0 395.548 -0.595 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658179312 1072660346 /nfs/dbraw/zinc/66/03/46/1072660346.db2.gz AVJDVVFQWJIXQR-SFHVURJKSA-N 1 0 395.548 -0.595 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000658191514 1072660731 /nfs/dbraw/zinc/66/07/31/1072660731.db2.gz SEJRBACYCXHCGB-INIZCTEOSA-N 1 0 377.489 -0.942 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000658191515 1072660862 /nfs/dbraw/zinc/66/08/62/1072660862.db2.gz SEJRBACYCXHCGB-MRXNPFEDSA-N 1 0 377.489 -0.942 20 0 GBADRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000658222250 1072661382 /nfs/dbraw/zinc/66/13/82/1072661382.db2.gz UXEFDBCNBABBEY-UHFFFAOYSA-N 1 0 393.532 -0.303 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000658259465 1072663622 /nfs/dbraw/zinc/66/36/22/1072663622.db2.gz KVFXVKICRQJPBL-CALCHBBNSA-N 1 0 398.463 -0.240 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000658259496 1072663648 /nfs/dbraw/zinc/66/36/48/1072663648.db2.gz OLLBSJJIDBXCEZ-KRWDZBQOSA-N 1 0 388.468 -0.258 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000658259497 1072663288 /nfs/dbraw/zinc/66/32/88/1072663288.db2.gz OLLBSJJIDBXCEZ-QGZVFWFLSA-N 1 0 388.468 -0.258 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000658259792 1072663604 /nfs/dbraw/zinc/66/36/04/1072663604.db2.gz YIEZYVODTVHZRP-MSOLQXFVSA-N 1 0 375.469 -0.159 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC000658259798 1072663237 /nfs/dbraw/zinc/66/32/37/1072663237.db2.gz YIEZYVODTVHZRP-QZTJIDSGSA-N 1 0 375.469 -0.159 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC000658259800 1072663579 /nfs/dbraw/zinc/66/35/79/1072663579.db2.gz YIEZYVODTVHZRP-ROUUACIJSA-N 1 0 375.469 -0.159 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000658259802 1072663194 /nfs/dbraw/zinc/66/31/94/1072663194.db2.gz YIEZYVODTVHZRP-ZWKOTPCHSA-N 1 0 375.469 -0.159 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000658259852 1072663424 /nfs/dbraw/zinc/66/34/24/1072663424.db2.gz DTCJTKSCNWCUMX-AWEZNQCLSA-N 1 0 388.472 -0.055 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000658259854 1072663315 /nfs/dbraw/zinc/66/33/15/1072663315.db2.gz DTCJTKSCNWCUMX-CQSZACIVSA-N 1 0 388.472 -0.055 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000658260186 1072663557 /nfs/dbraw/zinc/66/35/57/1072663557.db2.gz GZGMMXUYVYUUSH-AWEZNQCLSA-N 1 0 389.456 -0.171 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000658260188 1072663514 /nfs/dbraw/zinc/66/35/14/1072663514.db2.gz GZGMMXUYVYUUSH-CQSZACIVSA-N 1 0 389.456 -0.171 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000658334933 1072666374 /nfs/dbraw/zinc/66/63/74/1072666374.db2.gz FSXBCERALBETKC-AWEZNQCLSA-N 1 0 388.476 -0.011 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000658334967 1072666041 /nfs/dbraw/zinc/66/60/41/1072666041.db2.gz GOEFQLUXUNLVHE-AWEZNQCLSA-N 1 0 388.476 -0.011 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658335189 1072665868 /nfs/dbraw/zinc/66/58/68/1072665868.db2.gz MQSNCRUIURJYGU-ZDUSSCGKSA-N 1 0 399.517 -0.188 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000658335261 1072666302 /nfs/dbraw/zinc/66/63/02/1072666302.db2.gz PPXUTDNMGBVXBX-AWEZNQCLSA-N 1 0 388.476 -0.011 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658335530 1072666190 /nfs/dbraw/zinc/66/61/90/1072666190.db2.gz BFCOCOKNNFUZEW-ZDUSSCGKSA-N 1 0 399.517 -0.339 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000658335970 1072666171 /nfs/dbraw/zinc/66/61/71/1072666171.db2.gz KMWDEHGJGTYTGI-AWEZNQCLSA-N 1 0 388.476 -0.011 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000658336964 1072665910 /nfs/dbraw/zinc/66/59/10/1072665910.db2.gz SDOOQZWBGWZDOA-AWEZNQCLSA-N 1 0 388.476 -0.011 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000658337152 1072665989 /nfs/dbraw/zinc/66/59/89/1072665989.db2.gz SHWZWISDUSBZHV-ZDUSSCGKSA-N 1 0 399.517 -0.339 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@H+](C)C1 ZINC000658358562 1073369923 /nfs/dbraw/zinc/36/99/23/1073369923.db2.gz WAVPVAICCIMGDH-GFCCVEGCSA-N 1 0 388.428 -0.877 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC[N@H+](C)C1 ZINC000658358563 1073545473 /nfs/dbraw/zinc/54/54/73/1073545473.db2.gz WAVPVAICCIMGDH-LBPRGKRZSA-N 1 0 388.428 -0.877 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000658359377 1072668614 /nfs/dbraw/zinc/66/86/14/1072668614.db2.gz CSXIYCILQWEJAJ-HNNXBMFYSA-N 1 0 392.460 -0.767 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658359378 1072668511 /nfs/dbraw/zinc/66/85/11/1072668511.db2.gz CSXIYCILQWEJAJ-OAHLLOKOSA-N 1 0 392.460 -0.767 20 0 GBADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@H]1CC[N@H+](C)C1 ZINC000658359579 1072669666 /nfs/dbraw/zinc/66/96/66/1072669666.db2.gz CEGXNNLZINQPBE-HNNXBMFYSA-N 1 0 389.456 -0.347 20 0 GBADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658359581 1072669641 /nfs/dbraw/zinc/66/96/41/1072669641.db2.gz CEGXNNLZINQPBE-OAHLLOKOSA-N 1 0 389.456 -0.347 20 0 GBADRO COc1cc2c(cc1S(=O)(=O)NCCCN1CC[NH2+]CC1)C(=O)NCCC2 ZINC000658361129 1072669416 /nfs/dbraw/zinc/66/94/16/1072669416.db2.gz UTBMGUFRFHTTIQ-UHFFFAOYSA-N 1 0 396.513 -0.055 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000658362109 1072669687 /nfs/dbraw/zinc/66/96/87/1072669687.db2.gz OYVMOPJJUXEMRW-HNNXBMFYSA-N 1 0 378.477 -0.294 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658362110 1072669775 /nfs/dbraw/zinc/66/97/75/1072669775.db2.gz OYVMOPJJUXEMRW-OAHLLOKOSA-N 1 0 378.477 -0.294 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000658362815 1072669344 /nfs/dbraw/zinc/66/93/44/1072669344.db2.gz SPLYFXALZJSARO-INIZCTEOSA-N 1 0 378.477 -0.294 20 0 GBADRO CCN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658362816 1072669869 /nfs/dbraw/zinc/66/98/69/1072669869.db2.gz SPLYFXALZJSARO-MRXNPFEDSA-N 1 0 378.477 -0.294 20 0 GBADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000658362984 530148923 /nfs/dbraw/zinc/14/89/23/530148923.db2.gz KKCOAWLRURFRON-CYBMUJFWSA-N 1 0 392.503 -0.893 20 0 GBADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000658362985 530148886 /nfs/dbraw/zinc/14/88/86/530148886.db2.gz KKCOAWLRURFRON-ZDUSSCGKSA-N 1 0 392.503 -0.893 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000658363614 1072669491 /nfs/dbraw/zinc/66/94/91/1072669491.db2.gz WNUNAXTTWQRNNY-AWEZNQCLSA-N 1 0 392.460 -0.767 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658363616 1072669903 /nfs/dbraw/zinc/66/99/03/1072669903.db2.gz WNUNAXTTWQRNNY-CQSZACIVSA-N 1 0 392.460 -0.767 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCOC1 ZINC000658364335 1072527539 /nfs/dbraw/zinc/52/75/39/1072527539.db2.gz HGTBJABLYLNCBD-ARFHVFGLSA-N 1 0 389.518 -0.489 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCOC1 ZINC000658364336 1072669329 /nfs/dbraw/zinc/66/93/29/1072669329.db2.gz HGTBJABLYLNCBD-BZUAXINKSA-N 1 0 389.518 -0.489 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC000658364337 1072669798 /nfs/dbraw/zinc/66/97/98/1072669798.db2.gz HGTBJABLYLNCBD-HRCADAONSA-N 1 0 389.518 -0.489 20 0 GBADRO CO[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC000658364338 1072669360 /nfs/dbraw/zinc/66/93/60/1072669360.db2.gz HGTBJABLYLNCBD-OWCLPIDISA-N 1 0 389.518 -0.489 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ncccc1Br ZINC000658364657 530148735 /nfs/dbraw/zinc/14/87/35/530148735.db2.gz UHHYFHRGSBTUBS-UHFFFAOYSA-N 1 0 377.264 -0.104 20 0 GBADRO Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000658364687 1072670909 /nfs/dbraw/zinc/67/09/09/1072670909.db2.gz VUBZBPYMHMKYEJ-AWEZNQCLSA-N 1 0 394.497 -0.074 20 0 GBADRO Cc1cc(C(N)=O)cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000658364688 1072671100 /nfs/dbraw/zinc/67/11/00/1072671100.db2.gz 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NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000658401201 1072671740 /nfs/dbraw/zinc/67/17/40/1072671740.db2.gz NRHWDGLROVKVTR-INIZCTEOSA-N 1 0 380.489 -0.186 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000658401203 1072671842 /nfs/dbraw/zinc/67/18/42/1072671842.db2.gz NRHWDGLROVKVTR-MRXNPFEDSA-N 1 0 380.489 -0.186 20 0 GBADRO COc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[C@]1(C)NC(=O)NC1=O ZINC000658405753 1072672501 /nfs/dbraw/zinc/67/25/01/1072672501.db2.gz MWZQIYGQPISXRL-KJWVSFLRSA-N 1 0 394.453 -0.220 20 0 GBADRO COc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[C@@]1(C)NC(=O)NC1=O ZINC000658405756 1072672668 /nfs/dbraw/zinc/67/26/68/1072672668.db2.gz MWZQIYGQPISXRL-YZQOLGEMSA-N 1 0 394.453 -0.220 20 0 GBADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000658409103 530417780 /nfs/dbraw/zinc/41/77/80/530417780.db2.gz ZAIBEAZXIFUEDE-GFCCVEGCSA-N 1 0 377.488 -0.406 20 0 GBADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000658409104 530417561 /nfs/dbraw/zinc/41/75/61/530417561.db2.gz ZAIBEAZXIFUEDE-LBPRGKRZSA-N 1 0 377.488 -0.406 20 0 GBADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000658411758 530431613 /nfs/dbraw/zinc/43/16/13/530431613.db2.gz QFWRNKUFQMBSCB-CYBMUJFWSA-N 1 0 391.515 -0.098 20 0 GBADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000658411759 530431292 /nfs/dbraw/zinc/43/12/92/530431292.db2.gz QFWRNKUFQMBSCB-ZDUSSCGKSA-N 1 0 391.515 -0.098 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000658414143 1072672897 /nfs/dbraw/zinc/67/28/97/1072672897.db2.gz KLAQWBOBEQVZJH-INIZCTEOSA-N 1 0 390.488 -0.306 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000658414148 1072672929 /nfs/dbraw/zinc/67/29/29/1072672929.db2.gz KLAQWBOBEQVZJH-MRXNPFEDSA-N 1 0 390.488 -0.306 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000658415038 1072673494 /nfs/dbraw/zinc/67/34/94/1072673494.db2.gz 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20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000658452247 1072682612 /nfs/dbraw/zinc/68/26/12/1072682612.db2.gz GMOMKUOJLOUZKP-HUUCEWRRSA-N 1 0 383.470 -0.077 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000658452249 1072682660 /nfs/dbraw/zinc/68/26/60/1072682660.db2.gz GMOMKUOJLOUZKP-LSDHHAIUSA-N 1 0 383.470 -0.077 20 0 GBADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658453177 530136184 /nfs/dbraw/zinc/13/61/84/530136184.db2.gz XOYIXMMYPROEGE-QWRGUYRKSA-N 1 0 387.424 -0.170 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000658453681 1072683976 /nfs/dbraw/zinc/68/39/76/1072683976.db2.gz ZXTARFLSJJPEFH-DZGCQCFKSA-N 1 0 399.469 -0.377 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000658453684 1072684046 /nfs/dbraw/zinc/68/40/46/1072684046.db2.gz ZXTARFLSJJPEFH-HIFRSBDPSA-N 1 0 399.469 -0.377 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000658453687 1072683941 /nfs/dbraw/zinc/68/39/41/1072683941.db2.gz ZXTARFLSJJPEFH-UKRRQHHQSA-N 1 0 399.469 -0.377 20 0 GBADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000658453692 1072683959 /nfs/dbraw/zinc/68/39/59/1072683959.db2.gz ZXTARFLSJJPEFH-ZFWWWQNUSA-N 1 0 399.469 -0.377 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000658455504 1072685423 /nfs/dbraw/zinc/68/54/23/1072685423.db2.gz RXZRMFJZUXURCS-CABCVRRESA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000658455505 1072685321 /nfs/dbraw/zinc/68/53/21/1072685321.db2.gz RXZRMFJZUXURCS-GJZGRUSLSA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000658455506 1072685276 /nfs/dbraw/zinc/68/52/76/1072685276.db2.gz RXZRMFJZUXURCS-HUUCEWRRSA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000658455507 1072685466 /nfs/dbraw/zinc/68/54/66/1072685466.db2.gz RXZRMFJZUXURCS-LSDHHAIUSA-N 1 0 383.470 -0.343 20 0 GBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658456226 1072684516 /nfs/dbraw/zinc/68/45/16/1072684516.db2.gz YIXBIQBOPPHIRK-HNNXBMFYSA-N 1 0 382.505 -0.023 20 0 GBADRO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658456227 1072684441 /nfs/dbraw/zinc/68/44/41/1072684441.db2.gz YIXBIQBOPPHIRK-OAHLLOKOSA-N 1 0 382.505 -0.023 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658456280 1072684582 /nfs/dbraw/zinc/68/45/82/1072684582.db2.gz WQUKRSFFKGHBLB-CABCVRRESA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658456481 1072685333 /nfs/dbraw/zinc/68/53/33/1072685333.db2.gz WQUKRSFFKGHBLB-GJZGRUSLSA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658456482 1072685490 /nfs/dbraw/zinc/68/54/90/1072685490.db2.gz WQUKRSFFKGHBLB-HUUCEWRRSA-N 1 0 383.470 -0.343 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658456483 1072685508 /nfs/dbraw/zinc/68/55/08/1072685508.db2.gz WQUKRSFFKGHBLB-LSDHHAIUSA-N 1 0 383.470 -0.343 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000658459886 1072686780 /nfs/dbraw/zinc/68/67/80/1072686780.db2.gz JHOMLQUUJJLLQQ-KRWDZBQOSA-N 1 0 384.521 -0.264 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000658459893 1072686865 /nfs/dbraw/zinc/68/68/65/1072686865.db2.gz JHOMLQUUJJLLQQ-QGZVFWFLSA-N 1 0 384.521 -0.264 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000658460490 1072687408 /nfs/dbraw/zinc/68/74/08/1072687408.db2.gz ZLWJGOHIPPQECO-CABCVRRESA-N 1 0 383.470 -0.077 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000658460491 1072687380 /nfs/dbraw/zinc/68/73/80/1072687380.db2.gz ZLWJGOHIPPQECO-GJZGRUSLSA-N 1 0 383.470 -0.077 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000658460492 1072687339 /nfs/dbraw/zinc/68/73/39/1072687339.db2.gz ZLWJGOHIPPQECO-HUUCEWRRSA-N 1 0 383.470 -0.077 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000658460493 1072687331 /nfs/dbraw/zinc/68/73/31/1072687331.db2.gz ZLWJGOHIPPQECO-LSDHHAIUSA-N 1 0 383.470 -0.077 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658460563 1072687294 /nfs/dbraw/zinc/68/72/94/1072687294.db2.gz NRXQNJZELFQDLV-KRWDZBQOSA-N 1 0 382.505 -0.775 20 0 GBADRO CCOCCN1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658460564 1072687672 /nfs/dbraw/zinc/68/76/72/1072687672.db2.gz NRXQNJZELFQDLV-QGZVFWFLSA-N 1 0 382.505 -0.775 20 0 GBADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658462217 1072687647 /nfs/dbraw/zinc/68/76/47/1072687647.db2.gz GVODBYUCNLIECE-HNNXBMFYSA-N 1 0 389.456 -0.217 20 0 GBADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658462218 1072687562 /nfs/dbraw/zinc/68/75/62/1072687562.db2.gz GVODBYUCNLIECE-OAHLLOKOSA-N 1 0 389.456 -0.217 20 0 GBADRO CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658464880 1072688334 /nfs/dbraw/zinc/68/83/34/1072688334.db2.gz VOKILIJZNXLWFF-INIZCTEOSA-N 1 0 394.516 -0.239 20 0 GBADRO CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658464882 1072688356 /nfs/dbraw/zinc/68/83/56/1072688356.db2.gz VOKILIJZNXLWFF-MRXNPFEDSA-N 1 0 394.516 -0.239 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@H]1CC[N@H+](CC)C1 ZINC000658467575 1072690994 /nfs/dbraw/zinc/69/09/94/1072690994.db2.gz PQNGFQOWUOATRJ-HNNXBMFYSA-N 1 0 388.472 -0.101 20 0 GBADRO CCN(C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[C@@H]1CC[N@H+](CC)C1 ZINC000658467576 1072691086 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C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658522173 1072698503 /nfs/dbraw/zinc/69/85/03/1072698503.db2.gz MRIROVINGARUFJ-DLBZAZTESA-N 1 0 382.505 -0.511 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658522180 1072698106 /nfs/dbraw/zinc/69/81/06/1072698106.db2.gz MRIROVINGARUFJ-IAGOWNOFSA-N 1 0 382.505 -0.511 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658522182 1072698496 /nfs/dbraw/zinc/69/84/96/1072698496.db2.gz MRIROVINGARUFJ-IRXDYDNUSA-N 1 0 382.505 -0.511 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658522184 1072698455 /nfs/dbraw/zinc/69/84/55/1072698455.db2.gz MRIROVINGARUFJ-SJORKVTESA-N 1 0 382.505 -0.511 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522521 1072699126 /nfs/dbraw/zinc/69/91/26/1072699126.db2.gz FIIDLMIMZXAQAI-ARFHVFGLSA-N 1 0 378.473 -0.686 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522522 1072699208 /nfs/dbraw/zinc/69/92/08/1072699208.db2.gz FIIDLMIMZXAQAI-HRCADAONSA-N 1 0 378.473 -0.686 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522524 1072699267 /nfs/dbraw/zinc/69/92/67/1072699267.db2.gz FIIDLMIMZXAQAI-JYJNAYRXSA-N 1 0 378.473 -0.686 20 0 GBADRO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522527 1072699258 /nfs/dbraw/zinc/69/92/58/1072699258.db2.gz FIIDLMIMZXAQAI-XHSDSOJGSA-N 1 0 378.473 -0.686 20 0 GBADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658523562 1072699093 /nfs/dbraw/zinc/69/90/93/1072699093.db2.gz XAPGEJVIRIUQBS-LLVKDONJSA-N 1 0 383.474 -0.573 20 0 GBADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658523563 1072699186 /nfs/dbraw/zinc/69/91/86/1072699186.db2.gz XAPGEJVIRIUQBS-NSHDSACASA-N 1 0 383.474 -0.573 20 0 GBADRO CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000658523856 1072699147 /nfs/dbraw/zinc/69/91/47/1072699147.db2.gz OGAZVSUNWXRKMG-KRWDZBQOSA-N 1 0 383.489 -0.179 20 0 GBADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000658523857 1072699181 /nfs/dbraw/zinc/69/91/81/1072699181.db2.gz OGAZVSUNWXRKMG-QGZVFWFLSA-N 1 0 383.489 -0.179 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 ZINC000658524040 1072699244 /nfs/dbraw/zinc/69/92/44/1072699244.db2.gz QMNHUNINFZBHRN-BZUAXINKSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 ZINC000658524041 1072699230 /nfs/dbraw/zinc/69/92/30/1072699230.db2.gz QMNHUNINFZBHRN-OAGGEKHMSA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCO1 ZINC000658524042 1072699286 /nfs/dbraw/zinc/69/92/86/1072699286.db2.gz QMNHUNINFZBHRN-OWCLPIDISA-N 1 0 380.489 -0.175 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 ZINC000658524043 1072699171 /nfs/dbraw/zinc/69/91/71/1072699171.db2.gz QMNHUNINFZBHRN-PMPSAXMXSA-N 1 0 380.489 -0.175 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658524618 1072699928 /nfs/dbraw/zinc/69/99/28/1072699928.db2.gz WPYBNHPVVZGWMR-GDBMZVCRSA-N 1 0 380.489 -0.439 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658524619 1072700039 /nfs/dbraw/zinc/70/00/39/1072700039.db2.gz WPYBNHPVVZGWMR-GOEBONIOSA-N 1 0 380.489 -0.439 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658524620 1072699795 /nfs/dbraw/zinc/69/97/95/1072699795.db2.gz WPYBNHPVVZGWMR-HOCLYGCPSA-N 1 0 380.489 -0.439 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658524621 1072700002 /nfs/dbraw/zinc/70/00/02/1072700002.db2.gz WPYBNHPVVZGWMR-ZBFHGGJFSA-N 1 0 380.489 -0.439 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000658528855 1072696440 /nfs/dbraw/zinc/69/64/40/1072696440.db2.gz UVOOVRSGKIGEOW-INIZCTEOSA-N 1 0 390.488 -0.306 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000658528856 1072696899 /nfs/dbraw/zinc/69/68/99/1072696899.db2.gz UVOOVRSGKIGEOW-MRXNPFEDSA-N 1 0 390.488 -0.306 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CCO1 ZINC000658530144 1072697350 /nfs/dbraw/zinc/69/73/50/1072697350.db2.gz YRAOESSORUPTPP-INIZCTEOSA-N 1 0 384.521 -0.529 20 0 GBADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658531196 1072697439 /nfs/dbraw/zinc/69/74/39/1072697439.db2.gz OBMSQGFUXOBTJE-INIZCTEOSA-N 1 0 380.489 -0.362 20 0 GBADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658531197 1072697472 /nfs/dbraw/zinc/69/74/72/1072697472.db2.gz OBMSQGFUXOBTJE-MRXNPFEDSA-N 1 0 380.489 -0.362 20 0 GBADRO CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000658531586 1072697296 /nfs/dbraw/zinc/69/72/96/1072697296.db2.gz VGUAEUBVCOLZKJ-INIZCTEOSA-N 1 0 382.505 -0.116 20 0 GBADRO CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000658531587 1072697368 /nfs/dbraw/zinc/69/73/68/1072697368.db2.gz VGUAEUBVCOLZKJ-MRXNPFEDSA-N 1 0 382.505 -0.116 20 0 GBADRO C[C@@]1(C2CC2)CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000658534335 1072698212 /nfs/dbraw/zinc/69/82/12/1072698212.db2.gz AFIBDNBCAPVXEM-FQEVSTJZSA-N 1 0 392.500 -0.220 20 0 GBADRO C[C@]1(C2CC2)CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000658534336 1072698258 /nfs/dbraw/zinc/69/82/58/1072698258.db2.gz AFIBDNBCAPVXEM-HXUWFJFHSA-N 1 0 392.500 -0.220 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCc3nccnc3C2)CC1 ZINC000658534360 1072698462 /nfs/dbraw/zinc/69/84/62/1072698462.db2.gz APMYFWMFKFGHSD-UHFFFAOYSA-N 1 0 386.456 -0.872 20 0 GBADRO Cc1ccncc1CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658534485 1072701593 /nfs/dbraw/zinc/70/15/93/1072701593.db2.gz CHKATIPWJAPKAG-UHFFFAOYSA-N 1 0 387.484 -0.185 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000658534785 1072702746 /nfs/dbraw/zinc/70/27/46/1072702746.db2.gz CUFWNIXCBYUIKF-CYBMUJFWSA-N 1 0 388.415 -0.707 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000658534788 1072702737 /nfs/dbraw/zinc/70/27/37/1072702737.db2.gz CUFWNIXCBYUIKF-ZDUSSCGKSA-N 1 0 388.415 -0.707 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000658534835 1072702310 /nfs/dbraw/zinc/70/23/10/1072702310.db2.gz DJAPCHROLXJBIH-FQEVSTJZSA-N 1 0 394.516 -0.238 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658534837 1072702590 /nfs/dbraw/zinc/70/25/90/1072702590.db2.gz DJAPCHROLXJBIH-HXUWFJFHSA-N 1 0 394.516 -0.238 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000658534917 1072702968 /nfs/dbraw/zinc/70/29/68/1072702968.db2.gz GECHZNHDCAJINP-CVEARBPZSA-N 1 0 398.504 -0.833 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)[C@H]2CCOC2)CC1 ZINC000658534918 1072702696 /nfs/dbraw/zinc/70/26/96/1072702696.db2.gz GECHZNHDCAJINP-HOTGVXAUSA-N 1 0 398.504 -0.833 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000658534919 1072702829 /nfs/dbraw/zinc/70/28/29/1072702829.db2.gz GECHZNHDCAJINP-HZPDHXFCSA-N 1 0 398.504 -0.833 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000658534920 1072702642 /nfs/dbraw/zinc/70/26/42/1072702642.db2.gz GECHZNHDCAJINP-JKSUJKDBSA-N 1 0 398.504 -0.833 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658535305 1072702918 /nfs/dbraw/zinc/70/29/18/1072702918.db2.gz ILGCNHQLMFNGRM-CVEARBPZSA-N 1 0 380.489 -0.506 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658535306 1072702526 /nfs/dbraw/zinc/70/25/26/1072702526.db2.gz ILGCNHQLMFNGRM-HOTGVXAUSA-N 1 0 380.489 -0.506 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658535307 1072702574 /nfs/dbraw/zinc/70/25/74/1072702574.db2.gz ILGCNHQLMFNGRM-HZPDHXFCSA-N 1 0 380.489 -0.506 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000658535308 1072702415 /nfs/dbraw/zinc/70/24/15/1072702415.db2.gz ILGCNHQLMFNGRM-JKSUJKDBSA-N 1 0 380.489 -0.506 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000658535319 1072702766 /nfs/dbraw/zinc/70/27/66/1072702766.db2.gz ITVKWPSZUFWMDU-FQEVSTJZSA-N 1 0 392.500 -0.484 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658535320 1072702371 /nfs/dbraw/zinc/70/23/71/1072702371.db2.gz ITVKWPSZUFWMDU-HXUWFJFHSA-N 1 0 392.500 -0.484 20 0 GBADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000658535753 1072703539 /nfs/dbraw/zinc/70/35/39/1072703539.db2.gz JPQICPUHCIITCJ-UHFFFAOYSA-N 1 0 393.532 -0.401 20 0 GBADRO CN(CC1=CCSC1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658536161 1072702557 /nfs/dbraw/zinc/70/25/57/1072702557.db2.gz MOMYVXZZVZFCBH-UHFFFAOYSA-N 1 0 380.514 -0.115 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658536175 1072702803 /nfs/dbraw/zinc/70/28/03/1072702803.db2.gz MTUAKLHKXQPOLB-UHFFFAOYSA-N 1 0 378.473 -0.442 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCc3nccnc3C2)CC1 ZINC000658536187 1072702884 /nfs/dbraw/zinc/70/28/84/1072702884.db2.gz NADNXRHEKVOSCA-UHFFFAOYSA-N 1 0 388.472 -0.626 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658536251 1072702790 /nfs/dbraw/zinc/70/27/90/1072702790.db2.gz NRCHQZLYJSDJBE-CVEARBPZSA-N 1 0 378.473 -0.752 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658536255 1072702478 /nfs/dbraw/zinc/70/24/78/1072702478.db2.gz NRCHQZLYJSDJBE-HOTGVXAUSA-N 1 0 378.473 -0.752 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658536257 1072702609 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/nfs/dbraw/zinc/14/91/91/530149191.db2.gz LOUFXMKQQFBUCT-HZSPNIEDSA-N 1 0 375.491 -0.943 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000658651962 1072768579 /nfs/dbraw/zinc/76/85/79/1072768579.db2.gz RMAVQROZPGLCSL-BFUOFWGJSA-N 1 0 393.488 -0.188 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000658651963 1072768051 /nfs/dbraw/zinc/76/80/51/1072768051.db2.gz RMAVQROZPGLCSL-DJJJIMSYSA-N 1 0 393.488 -0.188 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000658651964 1072768525 /nfs/dbraw/zinc/76/85/25/1072768525.db2.gz RMAVQROZPGLCSL-ORAYPTAESA-N 1 0 393.488 -0.188 20 0 GBADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000658651965 1072768136 /nfs/dbraw/zinc/76/81/36/1072768136.db2.gz RMAVQROZPGLCSL-YJYMSZOUSA-N 1 0 393.488 -0.188 20 0 GBADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658654648 1072765884 /nfs/dbraw/zinc/76/58/84/1072765884.db2.gz NYUGTVXESFBCLK-KRWDZBQOSA-N 1 0 394.516 -0.191 20 0 GBADRO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658654649 1072765907 /nfs/dbraw/zinc/76/59/07/1072765907.db2.gz NYUGTVXESFBCLK-QGZVFWFLSA-N 1 0 394.516 -0.191 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658655888 1072766661 /nfs/dbraw/zinc/76/66/61/1072766661.db2.gz SNZZUBCNWDSOLO-KRWDZBQOSA-N 1 0 393.488 -0.547 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658655889 1072766957 /nfs/dbraw/zinc/76/69/57/1072766957.db2.gz SNZZUBCNWDSOLO-QGZVFWFLSA-N 1 0 393.488 -0.547 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658656697 1072766408 /nfs/dbraw/zinc/76/64/08/1072766408.db2.gz XINVUVUYYRXNPP-KRWDZBQOSA-N 1 0 395.504 -0.036 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658656700 1072766884 /nfs/dbraw/zinc/76/68/84/1072766884.db2.gz XINVUVUYYRXNPP-QGZVFWFLSA-N 1 0 395.504 -0.036 20 0 GBADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)C1 ZINC000658659212 1072770145 /nfs/dbraw/zinc/77/01/45/1072770145.db2.gz HQKQNWNBFCDBKR-APIJFGDWSA-N 1 0 387.502 -0.943 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658660012 1072770211 /nfs/dbraw/zinc/77/02/11/1072770211.db2.gz ZHFQHAYNFPJXGT-CVEARBPZSA-N 1 0 380.489 -0.487 20 0 GBADRO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658660013 1072770327 /nfs/dbraw/zinc/77/03/27/1072770327.db2.gz ZHFQHAYNFPJXGT-HOTGVXAUSA-N 1 0 380.489 -0.487 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658660014 1072770120 /nfs/dbraw/zinc/77/01/20/1072770120.db2.gz ZHFQHAYNFPJXGT-HZPDHXFCSA-N 1 0 380.489 -0.487 20 0 GBADRO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658660015 1072769988 /nfs/dbraw/zinc/76/99/88/1072769988.db2.gz ZHFQHAYNFPJXGT-JKSUJKDBSA-N 1 0 380.489 -0.487 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000658660437 1072770338 /nfs/dbraw/zinc/77/03/38/1072770338.db2.gz PLIGCAFHPJJING-GFCCVEGCSA-N 1 0 397.501 -0.183 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 ZINC000658660438 1072770311 /nfs/dbraw/zinc/77/03/11/1072770311.db2.gz PLIGCAFHPJJING-LBPRGKRZSA-N 1 0 397.501 -0.183 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658661402 1072770501 /nfs/dbraw/zinc/77/05/01/1072770501.db2.gz YAGLWVVDUBLEGJ-MSOLQXFVSA-N 1 0 396.532 -0.121 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000658661403 1072770066 /nfs/dbraw/zinc/77/00/66/1072770066.db2.gz YAGLWVVDUBLEGJ-QZTJIDSGSA-N 1 0 396.532 -0.121 20 0 GBADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658661404 1072770643 /nfs/dbraw/zinc/77/06/43/1072770643.db2.gz YAGLWVVDUBLEGJ-ROUUACIJSA-N 1 0 396.532 -0.121 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000658661405 1072770229 /nfs/dbraw/zinc/77/02/29/1072770229.db2.gz YAGLWVVDUBLEGJ-ZWKOTPCHSA-N 1 0 396.532 -0.121 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1CC(C)(C)O ZINC000658665316 1072769247 /nfs/dbraw/zinc/76/92/47/1072769247.db2.gz DUZJWDPUVRATJC-DLBZAZTESA-N 1 0 398.548 -0.141 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1CC(C)(C)O ZINC000658665317 1072768877 /nfs/dbraw/zinc/76/88/77/1072768877.db2.gz DUZJWDPUVRATJC-IAGOWNOFSA-N 1 0 398.548 -0.141 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1CC(C)(C)O ZINC000658665318 1072768905 /nfs/dbraw/zinc/76/89/05/1072768905.db2.gz DUZJWDPUVRATJC-IRXDYDNUSA-N 1 0 398.548 -0.141 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1CC(C)(C)O ZINC000658665319 1072769598 /nfs/dbraw/zinc/76/95/98/1072769598.db2.gz DUZJWDPUVRATJC-SJORKVTESA-N 1 0 398.548 -0.141 20 0 GBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658665402 1072769528 /nfs/dbraw/zinc/76/95/28/1072769528.db2.gz FHCNKZNKCZGWSN-GDBMZVCRSA-N 1 0 393.488 -0.894 20 0 GBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658665403 1072769416 /nfs/dbraw/zinc/76/94/16/1072769416.db2.gz FHCNKZNKCZGWSN-GOEBONIOSA-N 1 0 393.488 -0.894 20 0 GBADRO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658665405 1072769365 /nfs/dbraw/zinc/76/93/65/1072769365.db2.gz FHCNKZNKCZGWSN-HOCLYGCPSA-N 1 0 393.488 -0.894 20 0 GBADRO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658665407 1072769163 /nfs/dbraw/zinc/76/91/63/1072769163.db2.gz FHCNKZNKCZGWSN-ZBFHGGJFSA-N 1 0 393.488 -0.894 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CCO1 ZINC000658668428 1072771088 /nfs/dbraw/zinc/77/10/88/1072771088.db2.gz MNYWBVTWXQDEOL-CVEARBPZSA-N 1 0 395.504 -0.382 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCO1 ZINC000658668430 1072771160 /nfs/dbraw/zinc/77/11/60/1072771160.db2.gz MNYWBVTWXQDEOL-HOTGVXAUSA-N 1 0 395.504 -0.382 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CCO1 ZINC000658668432 1072771349 /nfs/dbraw/zinc/77/13/49/1072771349.db2.gz MNYWBVTWXQDEOL-HZPDHXFCSA-N 1 0 395.504 -0.382 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CCO1 ZINC000658668433 1072771540 /nfs/dbraw/zinc/77/15/40/1072771540.db2.gz MNYWBVTWXQDEOL-JKSUJKDBSA-N 1 0 395.504 -0.382 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1CC(C)(C)O ZINC000658671369 1072772363 /nfs/dbraw/zinc/77/23/63/1072772363.db2.gz VFYIHGWIHWXPSF-DOTOQJQBSA-N 1 0 396.532 -0.652 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1CC(C)(C)O ZINC000658671372 1072772490 /nfs/dbraw/zinc/77/24/90/1072772490.db2.gz VFYIHGWIHWXPSF-NVXWUHKLSA-N 1 0 396.532 -0.652 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1CC(C)(C)O ZINC000658671375 1072772426 /nfs/dbraw/zinc/77/24/26/1072772426.db2.gz VFYIHGWIHWXPSF-RDJZCZTQSA-N 1 0 396.532 -0.652 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1CC(C)(C)O ZINC000658671378 1072772032 /nfs/dbraw/zinc/77/20/32/1072772032.db2.gz VFYIHGWIHWXPSF-WBVHZDCISA-N 1 0 396.532 -0.652 20 0 GBADRO CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000658672960 1072773241 /nfs/dbraw/zinc/77/32/41/1072773241.db2.gz JQWUJRPOGWPGOP-KRWDZBQOSA-N 1 0 396.532 -0.264 20 0 GBADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000658672961 1072773432 /nfs/dbraw/zinc/77/34/32/1072773432.db2.gz JQWUJRPOGWPGOP-QGZVFWFLSA-N 1 0 396.532 -0.264 20 0 GBADRO CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000658673310 1072773044 /nfs/dbraw/zinc/77/30/44/1072773044.db2.gz BRALPUHMOZBOJX-UJJTZGENSA-N 1 0 394.516 -0.370 20 0 GBADRO CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000658673313 1072773259 /nfs/dbraw/zinc/77/32/59/1072773259.db2.gz BRALPUHMOZBOJX-WFFDWFOESA-N 1 0 394.516 -0.370 20 0 GBADRO O=C(C(=O)N1CCN(C[C@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658674571 1072770562 /nfs/dbraw/zinc/77/05/62/1072770562.db2.gz AGLVSVBGTMOHJH-AEFFLSMTSA-N 1 0 394.516 -0.775 20 0 GBADRO O=C(C(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658674574 1072770403 /nfs/dbraw/zinc/77/04/03/1072770403.db2.gz AGLVSVBGTMOHJH-FUHWJXTLSA-N 1 0 394.516 -0.775 20 0 GBADRO O=C(C(=O)N1CCN(C[C@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658674577 1072770463 /nfs/dbraw/zinc/77/04/63/1072770463.db2.gz AGLVSVBGTMOHJH-SJLPKXTDSA-N 1 0 394.516 -0.775 20 0 GBADRO O=C(C(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658674582 1072771008 /nfs/dbraw/zinc/77/10/08/1072771008.db2.gz AGLVSVBGTMOHJH-WMZOPIPTSA-N 1 0 394.516 -0.775 20 0 GBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658675058 1072774327 /nfs/dbraw/zinc/77/43/27/1072774327.db2.gz KINBRJRFBUQLHJ-KRWDZBQOSA-N 1 0 396.532 -0.121 20 0 GBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658675060 1072773953 /nfs/dbraw/zinc/77/39/53/1072773953.db2.gz KINBRJRFBUQLHJ-QGZVFWFLSA-N 1 0 396.532 -0.121 20 0 GBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 ZINC000658675064 1072774314 /nfs/dbraw/zinc/77/43/14/1072774314.db2.gz KKJYCYRKMCVGRS-UHFFFAOYSA-N 1 0 397.501 -0.183 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCO1 ZINC000658675498 1072772169 /nfs/dbraw/zinc/77/21/69/1072772169.db2.gz WOBDQFOYSXBPPG-MSOLQXFVSA-N 1 0 396.532 -0.264 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCO1 ZINC000658675499 1072772401 /nfs/dbraw/zinc/77/24/01/1072772401.db2.gz WOBDQFOYSXBPPG-QZTJIDSGSA-N 1 0 396.532 -0.264 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCO1 ZINC000658675500 1072772130 /nfs/dbraw/zinc/77/21/30/1072772130.db2.gz WOBDQFOYSXBPPG-ROUUACIJSA-N 1 0 396.532 -0.264 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCO1 ZINC000658675501 1072772559 /nfs/dbraw/zinc/77/25/59/1072772559.db2.gz WOBDQFOYSXBPPG-ZWKOTPCHSA-N 1 0 396.532 -0.264 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000658675960 1072773907 /nfs/dbraw/zinc/77/39/07/1072773907.db2.gz AWPFKJOMSUTLPC-ARFHVFGLSA-N 1 0 378.473 -0.754 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658675962 1072775502 /nfs/dbraw/zinc/77/55/02/1072775502.db2.gz AWPFKJOMSUTLPC-BZUAXINKSA-N 1 0 378.473 -0.754 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658675965 1072775200 /nfs/dbraw/zinc/77/52/00/1072775200.db2.gz AWPFKJOMSUTLPC-HRCADAONSA-N 1 0 378.473 -0.754 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658675969 1072775618 /nfs/dbraw/zinc/77/56/18/1072775618.db2.gz AWPFKJOMSUTLPC-OWCLPIDISA-N 1 0 378.473 -0.754 20 0 GBADRO Cc1nnc(CN(C)C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000658676045 1072775785 /nfs/dbraw/zinc/77/57/85/1072775785.db2.gz BJYHBFCGWQMJIM-CYBMUJFWSA-N 1 0 394.501 -0.430 20 0 GBADRO Cc1nnc(CN(C)C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000658676063 1072775279 /nfs/dbraw/zinc/77/52/79/1072775279.db2.gz BJYHBFCGWQMJIM-ZDUSSCGKSA-N 1 0 394.501 -0.430 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000658676147 1072773808 /nfs/dbraw/zinc/77/38/08/1072773808.db2.gz CGUCWPKPEBVNJX-INIZCTEOSA-N 1 0 388.472 -0.791 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000658676148 1072774343 /nfs/dbraw/zinc/77/43/43/1072774343.db2.gz CGUCWPKPEBVNJX-MRXNPFEDSA-N 1 0 388.472 -0.791 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000658676290 1072773882 /nfs/dbraw/zinc/77/38/82/1072773882.db2.gz DPSMFRISMRVDNB-CHWSQXEVSA-N 1 0 388.415 -0.708 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000658676291 1072774511 /nfs/dbraw/zinc/77/45/11/1072774511.db2.gz DPSMFRISMRVDNB-OLZOCXBDSA-N 1 0 388.415 -0.708 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000658676294 1072774540 /nfs/dbraw/zinc/77/45/40/1072774540.db2.gz DPSMFRISMRVDNB-QWHCGFSZSA-N 1 0 388.415 -0.708 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000658676295 1072774425 /nfs/dbraw/zinc/77/44/25/1072774425.db2.gz DPSMFRISMRVDNB-STQMWFEESA-N 1 0 388.415 -0.708 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@](C)(C3CC3)C2)CC1 ZINC000658676308 1072774565 /nfs/dbraw/zinc/77/45/65/1072774565.db2.gz DZDGNOFPHCWZJN-JXFKEZNVSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000658676312 1072774131 /nfs/dbraw/zinc/77/41/31/1072774131.db2.gz DZDGNOFPHCWZJN-OXJNMPFZSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000658676314 1072774057 /nfs/dbraw/zinc/77/40/57/1072774057.db2.gz DZDGNOFPHCWZJN-OXQOHEQNSA-N 1 0 392.500 -0.221 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@](C)(C3CC3)C2)CC1 ZINC000658676316 1072774183 /nfs/dbraw/zinc/77/41/83/1072774183.db2.gz DZDGNOFPHCWZJN-UZLBHIALSA-N 1 0 392.500 -0.221 20 0 GBADRO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000658676450 1072773824 /nfs/dbraw/zinc/77/38/24/1072773824.db2.gz GOYOESALXTZRPV-BZUAXINKSA-N 1 0 380.489 -0.175 20 0 GBADRO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000658676452 1072774614 /nfs/dbraw/zinc/77/46/14/1072774614.db2.gz GOYOESALXTZRPV-OAGGEKHMSA-N 1 0 380.489 -0.175 20 0 GBADRO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC000658676454 1072774590 /nfs/dbraw/zinc/77/45/90/1072774590.db2.gz GOYOESALXTZRPV-OWCLPIDISA-N 1 0 380.489 -0.175 20 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CN(CC1=CCSC1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000658677298 1072775453 /nfs/dbraw/zinc/77/54/53/1072775453.db2.gz PYFDHFONWNDMDS-HNNXBMFYSA-N 1 0 380.514 -0.117 20 0 GBADRO CN(CC1=CCSC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000658677299 1072775483 /nfs/dbraw/zinc/77/54/83/1072775483.db2.gz PYFDHFONWNDMDS-OAHLLOKOSA-N 1 0 380.514 -0.117 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000658677326 1072775034 /nfs/dbraw/zinc/77/50/34/1072775034.db2.gz QKWKMIFRRGUXDG-INIZCTEOSA-N 1 0 378.473 -0.444 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000658677327 1072775060 /nfs/dbraw/zinc/77/50/60/1072775060.db2.gz QKWKMIFRRGUXDG-MRXNPFEDSA-N 1 0 378.473 -0.444 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000658678158 1072775770 /nfs/dbraw/zinc/77/57/70/1072775770.db2.gz VKTKVNZUWGVTEF-JXFKEZNVSA-N 1 0 392.500 -0.485 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658678159 1072775222 /nfs/dbraw/zinc/77/52/22/1072775222.db2.gz VKTKVNZUWGVTEF-OXJNMPFZSA-N 1 0 392.500 -0.485 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658678160 1072775570 /nfs/dbraw/zinc/77/55/70/1072775570.db2.gz VKTKVNZUWGVTEF-OXQOHEQNSA-N 1 0 392.500 -0.485 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000658678161 1072775244 /nfs/dbraw/zinc/77/52/44/1072775244.db2.gz VKTKVNZUWGVTEF-UZLBHIALSA-N 1 0 392.500 -0.485 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658678274 1072775721 /nfs/dbraw/zinc/77/57/21/1072775721.db2.gz WIVOFHMXXPGCFV-DOTOQJQBSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658678275 1072775343 /nfs/dbraw/zinc/77/53/43/1072775343.db2.gz WIVOFHMXXPGCFV-NVXWUHKLSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658678276 1072775744 /nfs/dbraw/zinc/77/57/44/1072775744.db2.gz WIVOFHMXXPGCFV-RDJZCZTQSA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658678277 1072775006 /nfs/dbraw/zinc/77/50/06/1072775006.db2.gz WIVOFHMXXPGCFV-WBVHZDCISA-N 1 0 382.505 -0.777 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658678313 1072775609 /nfs/dbraw/zinc/77/56/09/1072775609.db2.gz WVGHHWQWCDCLLK-DLBZAZTESA-N 1 0 384.521 -0.265 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658678314 1072775132 /nfs/dbraw/zinc/77/51/32/1072775132.db2.gz WVGHHWQWCDCLLK-IAGOWNOFSA-N 1 0 384.521 -0.265 20 0 GBADRO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658678316 1072775023 /nfs/dbraw/zinc/77/50/23/1072775023.db2.gz WVGHHWQWCDCLLK-IRXDYDNUSA-N 1 0 384.521 -0.265 20 0 GBADRO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658678318 1072775685 /nfs/dbraw/zinc/77/56/85/1072775685.db2.gz WVGHHWQWCDCLLK-SJORKVTESA-N 1 0 384.521 -0.265 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658685524 1072777217 /nfs/dbraw/zinc/77/72/17/1072777217.db2.gz VPKUBUUKAZBRGR-HNNXBMFYSA-N 1 0 379.505 -0.839 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658685526 1072777249 /nfs/dbraw/zinc/77/72/49/1072777249.db2.gz VPKUBUUKAZBRGR-OAHLLOKOSA-N 1 0 379.505 -0.839 20 0 GBADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000658686691 1072776335 /nfs/dbraw/zinc/77/63/35/1072776335.db2.gz KFYQHMMRYFTAPI-QLFBSQMISA-N 1 0 389.518 -0.553 20 0 GBADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658687342 1072776518 /nfs/dbraw/zinc/77/65/18/1072776518.db2.gz SONGFOPVIRZZMX-DZGCQCFKSA-N 1 0 382.505 -0.194 20 0 GBADRO 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Cc1c(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1-n1cnnn1 ZINC000658901740 1072943284 /nfs/dbraw/zinc/94/32/84/1072943284.db2.gz LPTBUXUVAWLEDE-HNNXBMFYSA-N 1 0 399.455 -0.033 20 0 GBADRO Cc1c(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1-n1cnnn1 ZINC000658901741 1072943354 /nfs/dbraw/zinc/94/33/54/1072943354.db2.gz LPTBUXUVAWLEDE-OAHLLOKOSA-N 1 0 399.455 -0.033 20 0 GBADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000658901825 1072942365 /nfs/dbraw/zinc/94/23/65/1072942365.db2.gz OWYMMBOFMVKXQQ-CYBMUJFWSA-N 1 0 378.404 -0.079 20 0 GBADRO NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000658901826 1072942136 /nfs/dbraw/zinc/94/21/36/1072942136.db2.gz OWYMMBOFMVKXQQ-ZDUSSCGKSA-N 1 0 378.404 -0.079 20 0 GBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000658902092 1072943222 /nfs/dbraw/zinc/94/32/22/1072943222.db2.gz QNSFMFLWGVSEBH-KRWDZBQOSA-N 1 0 399.455 -0.033 20 0 GBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000658902095 1072942861 /nfs/dbraw/zinc/94/28/61/1072942861.db2.gz QNSFMFLWGVSEBH-QGZVFWFLSA-N 1 0 399.455 -0.033 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCS1(=O)=O ZINC000658902548 1072943062 /nfs/dbraw/zinc/94/30/62/1072943062.db2.gz BJAODEUNCFWPHD-AWEZNQCLSA-N 1 0 387.502 -0.920 20 0 GBADRO CC1(C)CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCS1(=O)=O ZINC000658902549 1072943006 /nfs/dbraw/zinc/94/30/06/1072943006.db2.gz BJAODEUNCFWPHD-CQSZACIVSA-N 1 0 387.502 -0.920 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000658902785 1072942280 /nfs/dbraw/zinc/94/22/80/1072942280.db2.gz FRRQTNMBZOXSML-CBZIJGRNSA-N 1 0 396.532 -0.342 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000658902786 1072942233 /nfs/dbraw/zinc/94/22/33/1072942233.db2.gz FRRQTNMBZOXSML-CUSZFKRNSA-N 1 0 396.532 -0.342 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000658902787 1072941945 /nfs/dbraw/zinc/94/19/45/1072941945.db2.gz FRRQTNMBZOXSML-LISAXSMJSA-N 1 0 396.532 -0.342 20 0 GBADRO C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000658902788 1072942191 /nfs/dbraw/zinc/94/21/91/1072942191.db2.gz FRRQTNMBZOXSML-XLMAVXFVSA-N 1 0 396.532 -0.342 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1F ZINC000658903766 1072943298 /nfs/dbraw/zinc/94/32/98/1072943298.db2.gz OWUFWXXBKOXFCI-CYBMUJFWSA-N 1 0 380.420 -0.097 20 0 GBADRO COc1ccnc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1F ZINC000658903767 1072943332 /nfs/dbraw/zinc/94/33/32/1072943332.db2.gz OWUFWXXBKOXFCI-ZDUSSCGKSA-N 1 0 380.420 -0.097 20 0 GBADRO NC(=O)c1ccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000658903800 1072943115 /nfs/dbraw/zinc/94/31/15/1072943115.db2.gz PJISMBDBGYPWLI-CYBMUJFWSA-N 1 0 378.404 -0.079 20 0 GBADRO NC(=O)c1ccc(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000658903801 1072943267 /nfs/dbraw/zinc/94/32/67/1072943267.db2.gz PJISMBDBGYPWLI-ZDUSSCGKSA-N 1 0 378.404 -0.079 20 0 GBADRO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000658903974 1072943918 /nfs/dbraw/zinc/94/39/18/1072943918.db2.gz PSJLXZNZNYKNKR-CYBMUJFWSA-N 1 0 379.465 -0.898 20 0 GBADRO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000658903977 1072943968 /nfs/dbraw/zinc/94/39/68/1072943968.db2.gz PSJLXZNZNYKNKR-ZDUSSCGKSA-N 1 0 379.465 -0.898 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658904748 1072944055 /nfs/dbraw/zinc/94/40/55/1072944055.db2.gz VHIFGCNKJRKFCA-CYBMUJFWSA-N 1 0 392.460 -0.453 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658904750 1072944040 /nfs/dbraw/zinc/94/40/40/1072944040.db2.gz VHIFGCNKJRKFCA-ZDUSSCGKSA-N 1 0 392.460 -0.453 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)nn1 ZINC000658918931 1072958494 /nfs/dbraw/zinc/95/84/94/1072958494.db2.gz DGTNPMMDOYSDOS-GASCZTMLSA-N 1 0 390.488 -0.020 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)nn1 ZINC000658919225 1072957788 /nfs/dbraw/zinc/95/77/88/1072957788.db2.gz KNLQKOSTAKUKPK-UHFFFAOYSA-N 1 0 376.461 -0.456 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)nn1 ZINC000658919322 1072957952 /nfs/dbraw/zinc/95/79/52/1072957952.db2.gz NUIIDUICBVBHEI-LSDHHAIUSA-N 1 0 388.472 -0.314 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CCO1 ZINC000658926414 1072961950 /nfs/dbraw/zinc/96/19/50/1072961950.db2.gz AOFDHQKJJCRGAK-LLVKDONJSA-N 1 0 383.474 -0.573 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CCO1 ZINC000658926415 1072438604 /nfs/dbraw/zinc/43/86/04/1072438604.db2.gz AOFDHQKJJCRGAK-NSHDSACASA-N 1 0 383.474 -0.573 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)N1CCO ZINC000658926461 1072961490 /nfs/dbraw/zinc/96/14/90/1072961490.db2.gz CLLKJCJGHQRXDH-BBWFWOEESA-N 1 0 384.521 -0.531 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)N1CCO ZINC000658926462 1072961804 /nfs/dbraw/zinc/96/18/04/1072961804.db2.gz CLLKJCJGHQRXDH-IXDOHACOSA-N 1 0 384.521 -0.531 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCO1 ZINC000658927089 1072960942 /nfs/dbraw/zinc/96/09/42/1072960942.db2.gz LQPPHKOUHDIJRU-CVEARBPZSA-N 1 0 378.477 -0.304 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CCO1 ZINC000658927092 1072960608 /nfs/dbraw/zinc/96/06/08/1072960608.db2.gz LQPPHKOUHDIJRU-HOTGVXAUSA-N 1 0 378.477 -0.304 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CCO1 ZINC000658927094 1072960739 /nfs/dbraw/zinc/96/07/39/1072960739.db2.gz LQPPHKOUHDIJRU-HZPDHXFCSA-N 1 0 378.477 -0.304 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CCO1 ZINC000658927096 1072960584 /nfs/dbraw/zinc/96/05/84/1072960584.db2.gz LQPPHKOUHDIJRU-JKSUJKDBSA-N 1 0 378.477 -0.304 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)CCO1 ZINC000658927565 1072960859 /nfs/dbraw/zinc/96/08/59/1072960859.db2.gz TVYALQXKKYZJPX-APWZRJJASA-N 1 0 383.489 -0.036 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)CCO1 ZINC000658927568 1072960903 /nfs/dbraw/zinc/96/09/03/1072960903.db2.gz TVYALQXKKYZJPX-LPHOPBHVSA-N 1 0 383.489 -0.036 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)CCO1 ZINC000658927571 1072960764 /nfs/dbraw/zinc/96/07/64/1072960764.db2.gz TVYALQXKKYZJPX-QFBILLFUSA-N 1 0 383.489 -0.036 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)CCO1 ZINC000658927573 1072960596 /nfs/dbraw/zinc/96/05/96/1072960596.db2.gz TVYALQXKKYZJPX-VQIMIIECSA-N 1 0 383.489 -0.036 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000658927861 1072960816 /nfs/dbraw/zinc/96/08/16/1072960816.db2.gz XVZGMJASELEOKY-INIZCTEOSA-N 1 0 384.521 -0.529 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CCO1 ZINC000658927863 1072960864 /nfs/dbraw/zinc/96/08/64/1072960864.db2.gz XVZGMJASELEOKY-MRXNPFEDSA-N 1 0 384.521 -0.529 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CCO1 ZINC000658927929 1072961535 /nfs/dbraw/zinc/96/15/35/1072961535.db2.gz YLIHXFWJBMZCMX-CYBMUJFWSA-N 1 0 381.481 -0.387 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CCO1 ZINC000658927931 1072961704 /nfs/dbraw/zinc/96/17/04/1072961704.db2.gz YLIHXFWJBMZCMX-ZDUSSCGKSA-N 1 0 381.481 -0.387 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000658927977 1072962565 /nfs/dbraw/zinc/96/25/65/1072962565.db2.gz ZZBQVNBLPYQKRG-AWEZNQCLSA-N 1 0 389.518 -0.409 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000658927978 1072444949 /nfs/dbraw/zinc/44/49/49/1072444949.db2.gz ZZBQVNBLPYQKRG-CQSZACIVSA-N 1 0 389.518 -0.409 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)nnn1C ZINC000658943065 1072964966 /nfs/dbraw/zinc/96/49/66/1072964966.db2.gz DRUNZDDIQALLRE-INIZCTEOSA-N 1 0 385.472 -0.006 20 0 GBADRO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)nnn1C ZINC000658943066 1072964930 /nfs/dbraw/zinc/96/49/30/1072964930.db2.gz DRUNZDDIQALLRE-MRXNPFEDSA-N 1 0 385.472 -0.006 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000658945030 1072965984 /nfs/dbraw/zinc/96/59/84/1072965984.db2.gz ZVXDUHMNDSPQNP-FPCVCCKLSA-N 1 0 396.488 -0.940 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000658945032 1072966268 /nfs/dbraw/zinc/96/62/68/1072966268.db2.gz ZVXDUHMNDSPQNP-FZKCQIBNSA-N 1 0 396.488 -0.940 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000658945034 1072966397 /nfs/dbraw/zinc/96/63/97/1072966397.db2.gz ZVXDUHMNDSPQNP-JONQDZQNSA-N 1 0 396.488 -0.940 20 0 GBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000658945036 1072966207 /nfs/dbraw/zinc/96/62/07/1072966207.db2.gz ZVXDUHMNDSPQNP-QXSJWSMHSA-N 1 0 396.488 -0.940 20 0 GBADRO Cc1nc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)nn1C ZINC000658945322 1072966367 /nfs/dbraw/zinc/96/63/67/1072966367.db2.gz LRCQIXNDDWVCSE-INIZCTEOSA-N 1 0 385.472 -0.006 20 0 GBADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)nn1C ZINC000658945323 1072966351 /nfs/dbraw/zinc/96/63/51/1072966351.db2.gz LRCQIXNDDWVCSE-MRXNPFEDSA-N 1 0 385.472 -0.006 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658945694 1072965919 /nfs/dbraw/zinc/96/59/19/1072965919.db2.gz MPDSESGYAOBHDV-INIZCTEOSA-N 1 0 375.473 -0.877 20 0 GBADRO CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658945695 1072966423 /nfs/dbraw/zinc/96/64/23/1072966423.db2.gz MPDSESGYAOBHDV-MRXNPFEDSA-N 1 0 375.473 -0.877 20 0 GBADRO COc1ccc([C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]2[NH3+])cc1F ZINC000658953756 1072969384 /nfs/dbraw/zinc/96/93/84/1072969384.db2.gz UEDLZVISFUGPAO-ZFWWWQNUSA-N 1 0 380.420 -0.270 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1[NH3+] ZINC000658971770 1072975920 /nfs/dbraw/zinc/97/59/20/1072975920.db2.gz YAYZAOODENGQBA-JMSVASOKSA-N 1 0 380.470 -0.117 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1[NH3+] ZINC000658971773 1072977147 /nfs/dbraw/zinc/97/71/47/1072977147.db2.gz YAYZAOODENGQBA-XUJVJEKNSA-N 1 0 380.470 -0.117 20 0 GBADRO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1[NH3+] ZINC000658974448 1072976945 /nfs/dbraw/zinc/97/69/45/1072976945.db2.gz TWDOUVSSDVPWSQ-DOMZBBRYSA-N 1 0 380.470 -0.384 20 0 GBADRO C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@@H]1[NH3+] ZINC000658974827 1072976749 /nfs/dbraw/zinc/97/67/49/1072976749.db2.gz YLVWGHOPZQNJLU-DOMZBBRYSA-N 1 0 382.486 -0.020 20 0 GBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000658982724 1072978705 /nfs/dbraw/zinc/97/87/05/1072978705.db2.gz JWAOCLVCNVBITR-WKILWMFISA-N 1 0 376.457 -0.109 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN(CC(F)F)CC3)CC2)C1 ZINC000658987230 1072978627 /nfs/dbraw/zinc/97/86/27/1072978627.db2.gz FQETZPBKSHQWLR-HNNXBMFYSA-N 1 0 387.475 -0.366 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(CC(F)F)CC3)CC2)C1 ZINC000658987231 1072979207 /nfs/dbraw/zinc/97/92/07/1072979207.db2.gz FQETZPBKSHQWLR-OAHLLOKOSA-N 1 0 387.475 -0.366 20 0 GBADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)C2)CC1 ZINC000658993179 1072979977 /nfs/dbraw/zinc/97/99/77/1072979977.db2.gz BQQNIAANQCNOBX-HRCADAONSA-N 1 0 390.484 -0.312 20 0 GBADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)C2)CC1 ZINC000658993180 1072979916 /nfs/dbraw/zinc/97/99/16/1072979916.db2.gz BQQNIAANQCNOBX-OAGGEKHMSA-N 1 0 390.484 -0.312 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCO1 ZINC000658998007 1072981031 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NKUTZHFGCKVHRQ-ZDUSSCGKSA-N 1 0 393.444 -0.303 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000659001434 1072980617 /nfs/dbraw/zinc/98/06/17/1072980617.db2.gz UIOPKROFYXDJGR-AWEZNQCLSA-N 1 0 398.485 -0.158 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000659001435 1072980926 /nfs/dbraw/zinc/98/09/26/1072980926.db2.gz UIOPKROFYXDJGR-CQSZACIVSA-N 1 0 398.485 -0.158 20 0 GBADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCO1 ZINC000659001550 1072980816 /nfs/dbraw/zinc/98/08/16/1072980816.db2.gz IACRJFNOOGSKEQ-HNNXBMFYSA-N 1 0 380.445 -0.040 20 0 GBADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCO1 ZINC000659001552 1072980803 /nfs/dbraw/zinc/98/08/03/1072980803.db2.gz IACRJFNOOGSKEQ-OAHLLOKOSA-N 1 0 380.445 -0.040 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000659006948 1072981970 /nfs/dbraw/zinc/98/19/70/1072981970.db2.gz FPHFHQSUQVMNRX-DLBZAZTESA-N 1 0 391.516 -0.552 20 0 GBADRO 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O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000659009714 1072981504 /nfs/dbraw/zinc/98/15/04/1072981504.db2.gz KCQBYORLPNSUBU-UHFFFAOYSA-N 1 0 381.458 -0.024 20 0 GBADRO C[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCN1S(C)(=O)=O ZINC000659021625 1072982843 /nfs/dbraw/zinc/98/28/43/1072982843.db2.gz JNEIPBREMNUWEE-GFCCVEGCSA-N 1 0 383.478 -0.616 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C[C@H]21 ZINC000659021650 1072982583 /nfs/dbraw/zinc/98/25/83/1072982583.db2.gz KDNJXJWQVWQKTF-MJBXVCDLSA-N 1 0 396.473 -0.838 20 0 GBADRO CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000659021725 1072982767 /nfs/dbraw/zinc/98/27/67/1072982767.db2.gz ZTPDOCNGTGDPLL-CYBMUJFWSA-N 1 0 382.490 -0.147 20 0 GBADRO CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000659021726 1072982624 /nfs/dbraw/zinc/98/26/24/1072982624.db2.gz ZTPDOCNGTGDPLL-ZDUSSCGKSA-N 1 0 382.490 -0.147 20 0 GBADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000659027267 1072984046 /nfs/dbraw/zinc/98/40/46/1072984046.db2.gz DNNBBHDQGKUHJS-UHFFFAOYSA-N 1 0 393.532 -0.304 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659037640 1072984796 /nfs/dbraw/zinc/98/47/96/1072984796.db2.gz YETKBFSMEXYJTO-INIZCTEOSA-N 1 0 397.501 -0.215 20 0 GBADRO NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659037641 1072984663 /nfs/dbraw/zinc/98/46/63/1072984663.db2.gz YETKBFSMEXYJTO-MRXNPFEDSA-N 1 0 397.501 -0.215 20 0 GBADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000659038159 1072985057 /nfs/dbraw/zinc/98/50/57/1072985057.db2.gz VJEBTRZSEFEAPM-UHFFFAOYSA-N 1 0 381.521 -0.273 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659048101 1072986115 /nfs/dbraw/zinc/98/61/15/1072986115.db2.gz XEXNMOJPLYJUQV-HNNXBMFYSA-N 1 0 383.474 -0.039 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659048103 1072985719 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CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000659087537 1072993191 /nfs/dbraw/zinc/99/31/91/1072993191.db2.gz NLDZHICKQJVYBN-CQSZACIVSA-N 1 0 384.458 -0.484 20 0 GBADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000659088010 1072993062 /nfs/dbraw/zinc/99/30/62/1072993062.db2.gz SKGBKTWPPYGNHE-HNNXBMFYSA-N 1 0 398.485 -0.013 20 0 GBADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000659088012 1072993273 /nfs/dbraw/zinc/99/32/73/1072993273.db2.gz SKGBKTWPPYGNHE-OAHLLOKOSA-N 1 0 398.485 -0.013 20 0 GBADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000659088542 1072994207 /nfs/dbraw/zinc/99/42/07/1072994207.db2.gz YHDPJDIRHLDOAO-UHFFFAOYSA-N 1 0 396.469 -0.388 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659088770 1072994043 /nfs/dbraw/zinc/99/40/43/1072994043.db2.gz PFVVLYSPNYDIJK-INIZCTEOSA-N 1 0 399.455 -0.237 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 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FNENPIZRVJUEGZ-UHFFFAOYSA-N 1 0 384.458 -0.495 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000659091460 1072994270 /nfs/dbraw/zinc/99/42/70/1072994270.db2.gz NLUKQVOGIQDUBA-AWEZNQCLSA-N 1 0 376.461 -0.194 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000659091461 1072994131 /nfs/dbraw/zinc/99/41/31/1072994131.db2.gz NLUKQVOGIQDUBA-CQSZACIVSA-N 1 0 376.461 -0.194 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659092581 1072994201 /nfs/dbraw/zinc/99/42/01/1072994201.db2.gz SKFRPQXGCJXPAF-UHFFFAOYSA-N 1 0 386.474 -0.121 20 0 GBADRO CN(CCCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)S(C)(=O)=O ZINC000659092930 1072994362 /nfs/dbraw/zinc/99/43/62/1072994362.db2.gz XBGGURJEHTXCJT-UHFFFAOYSA-N 1 0 386.449 -0.192 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cn2)C[C@H](C)O1 ZINC000659093126 1072994587 /nfs/dbraw/zinc/99/45/87/1072994587.db2.gz CMVNXYXNZYZOHI-BETUJISGSA-N 1 0 394.476 -0.347 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cn2)C[C@@H](C)O1 ZINC000659093127 1072994443 /nfs/dbraw/zinc/99/44/43/1072994443.db2.gz CMVNXYXNZYZOHI-CHWSQXEVSA-N 1 0 394.476 -0.347 20 0 GBADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cn2)C[C@H](C)O1 ZINC000659093128 1072994243 /nfs/dbraw/zinc/99/42/43/1072994243.db2.gz CMVNXYXNZYZOHI-STQMWFEESA-N 1 0 394.476 -0.347 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659093283 1072994453 /nfs/dbraw/zinc/99/44/53/1072994453.db2.gz LITFUOHMVWZLBX-UHFFFAOYSA-N 1 0 386.474 -0.255 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000659093616 1072993935 /nfs/dbraw/zinc/99/39/35/1072993935.db2.gz AZHWXLUPNJQRRC-UHFFFAOYSA-N 1 0 398.485 -0.158 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000659093897 1072994145 /nfs/dbraw/zinc/99/41/45/1072994145.db2.gz IYNXYCQARQOLII-UHFFFAOYSA-N 1 0 398.485 -0.158 20 0 GBADRO C[C@H]1CN(CCNC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)CO1 ZINC000659094776 1072994063 /nfs/dbraw/zinc/99/40/63/1072994063.db2.gz PZGUPQFVCDHWED-KBPBESRZSA-N 1 0 391.476 -0.950 20 0 GBADRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659094778 1072993955 /nfs/dbraw/zinc/99/39/55/1072993955.db2.gz PZGUPQFVCDHWED-KGLIPLIRSA-N 1 0 391.476 -0.950 20 0 GBADRO C[C@@H]1CN(CCNC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@@H](C)CO1 ZINC000659094780 1072995491 /nfs/dbraw/zinc/99/54/91/1072995491.db2.gz PZGUPQFVCDHWED-UONOGXRCSA-N 1 0 391.476 -0.950 20 0 GBADRO C[C@@H]1CN(CCNC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)[C@H](C)CO1 ZINC000659094782 1072994930 /nfs/dbraw/zinc/99/49/30/1072994930.db2.gz PZGUPQFVCDHWED-ZIAGYGMSSA-N 1 0 391.476 -0.950 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659095275 1072995223 /nfs/dbraw/zinc/99/52/23/1072995223.db2.gz FYQJXFSMTRVALF-CHWSQXEVSA-N 1 0 385.417 -0.662 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659095277 1072995029 /nfs/dbraw/zinc/99/50/29/1072995029.db2.gz FYQJXFSMTRVALF-OLZOCXBDSA-N 1 0 385.417 -0.662 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659095278 1072995123 /nfs/dbraw/zinc/99/51/23/1072995123.db2.gz FYQJXFSMTRVALF-QWHCGFSZSA-N 1 0 385.417 -0.662 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659095280 1072995236 /nfs/dbraw/zinc/99/52/36/1072995236.db2.gz FYQJXFSMTRVALF-STQMWFEESA-N 1 0 385.417 -0.662 20 0 GBADRO C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659095382 1072994972 /nfs/dbraw/zinc/99/49/72/1072994972.db2.gz GVWVMPTYUWLMBP-DZGCQCFKSA-N 1 0 376.461 -0.166 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659095383 1072995486 /nfs/dbraw/zinc/99/54/86/1072995486.db2.gz GVWVMPTYUWLMBP-HIFRSBDPSA-N 1 0 376.461 -0.166 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659095384 1072995135 /nfs/dbraw/zinc/99/51/35/1072995135.db2.gz GVWVMPTYUWLMBP-UKRRQHHQSA-N 1 0 376.461 -0.166 20 0 GBADRO C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659095385 1072995298 /nfs/dbraw/zinc/99/52/98/1072995298.db2.gz GVWVMPTYUWLMBP-ZFWWWQNUSA-N 1 0 376.461 -0.166 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000659095641 1072995034 /nfs/dbraw/zinc/99/50/34/1072995034.db2.gz MTRJMRQHRXLRLK-GXTWGEPZSA-N 1 0 383.426 -0.965 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000659095643 1072995042 /nfs/dbraw/zinc/99/50/42/1072995042.db2.gz MTRJMRQHRXLRLK-JSGCOSHPSA-N 1 0 383.426 -0.965 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000659095645 1072995182 /nfs/dbraw/zinc/99/51/82/1072995182.db2.gz MTRJMRQHRXLRLK-OCCSQVGLSA-N 1 0 383.426 -0.965 20 0 GBADRO 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C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000659111828 1072999566 /nfs/dbraw/zinc/99/95/66/1072999566.db2.gz FXYGOPPFYJTLMI-YNEHKIRRSA-N 1 0 380.449 -0.819 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000659111947 1072998628 /nfs/dbraw/zinc/99/86/28/1072998628.db2.gz NDBOAKLITNUEKJ-BBRMVZONSA-N 1 0 390.440 -0.637 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000659111950 1072998644 /nfs/dbraw/zinc/99/86/44/1072998644.db2.gz NDBOAKLITNUEKJ-CJNGLKHVSA-N 1 0 390.440 -0.637 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000659111952 1072998766 /nfs/dbraw/zinc/99/87/66/1072998766.db2.gz NDBOAKLITNUEKJ-CZUORRHYSA-N 1 0 390.440 -0.637 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000659111954 1072998884 /nfs/dbraw/zinc/99/88/84/1072998884.db2.gz NDBOAKLITNUEKJ-XJKSGUPXSA-N 1 0 390.440 -0.637 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000659111968 1072999776 /nfs/dbraw/zinc/99/97/76/1072999776.db2.gz NHWIBHNVBXCNSP-CYBMUJFWSA-N 1 0 391.472 -0.255 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000659111970 1072999317 /nfs/dbraw/zinc/99/93/17/1072999317.db2.gz NHWIBHNVBXCNSP-ZDUSSCGKSA-N 1 0 391.472 -0.255 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)C1 ZINC000659111978 1072999247 /nfs/dbraw/zinc/99/92/47/1072999247.db2.gz GECPSNQXJWZNNO-BBWFWOEESA-N 1 0 391.516 -0.506 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)C1 ZINC000659111981 1072999525 /nfs/dbraw/zinc/99/95/25/1072999525.db2.gz GECPSNQXJWZNNO-GVDBMIGSSA-N 1 0 391.516 -0.506 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)C1 ZINC000659111984 1072999712 /nfs/dbraw/zinc/99/97/12/1072999712.db2.gz GECPSNQXJWZNNO-ULQDDVLXSA-N 1 0 391.516 -0.506 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)C1 ZINC000659111986 1072999551 /nfs/dbraw/zinc/99/95/51/1072999551.db2.gz GECPSNQXJWZNNO-YESZJQIVSA-N 1 0 391.516 -0.506 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000659112438 1073000501 /nfs/dbraw/zinc/00/05/01/1073000501.db2.gz QCOUKIOUPFAOTJ-AWEZNQCLSA-N 1 0 375.473 -0.334 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000659112439 1073000411 /nfs/dbraw/zinc/00/04/11/1073000411.db2.gz QCOUKIOUPFAOTJ-CQSZACIVSA-N 1 0 375.473 -0.334 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000659112485 1073000260 /nfs/dbraw/zinc/00/02/60/1073000260.db2.gz QPYKTALPBITVDC-GFCCVEGCSA-N 1 0 378.429 -0.170 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000659112486 1073000649 /nfs/dbraw/zinc/00/06/49/1073000649.db2.gz QPYKTALPBITVDC-LBPRGKRZSA-N 1 0 378.429 -0.170 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000659112833 1072999794 /nfs/dbraw/zinc/99/97/94/1072999794.db2.gz RXDBMOVNLVKKDW-CYBMUJFWSA-N 1 0 397.501 -0.715 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000659112835 1072999597 /nfs/dbraw/zinc/99/95/97/1072999597.db2.gz RXDBMOVNLVKKDW-ZDUSSCGKSA-N 1 0 397.501 -0.715 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000659113031 1073001499 /nfs/dbraw/zinc/00/14/99/1073001499.db2.gz CPEPYTMIVGCYMV-GFCCVEGCSA-N 1 0 384.458 -0.630 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000659113032 1073001229 /nfs/dbraw/zinc/00/12/29/1073001229.db2.gz CPEPYTMIVGCYMV-LBPRGKRZSA-N 1 0 384.458 -0.630 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000659113257 1073000588 /nfs/dbraw/zinc/00/05/88/1073000588.db2.gz VCSQQBHLPUTGPT-JTQLQIEISA-N 1 0 384.458 -0.202 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000659113260 1073000797 /nfs/dbraw/zinc/00/07/97/1073000797.db2.gz VCSQQBHLPUTGPT-SNVBAGLBSA-N 1 0 384.458 -0.202 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000659113345 1073000567 /nfs/dbraw/zinc/00/05/67/1073000567.db2.gz FAYWSJJHZHTHMA-CYBMUJFWSA-N 1 0 397.501 -0.715 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000659113346 1073000324 /nfs/dbraw/zinc/00/03/24/1073000324.db2.gz FAYWSJJHZHTHMA-ZDUSSCGKSA-N 1 0 397.501 -0.715 20 0 GBADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc1S(=O)(=O)N(C)C ZINC000659113456 1073000268 /nfs/dbraw/zinc/00/02/68/1073000268.db2.gz FTVDHVYGEFSOLG-LLVKDONJSA-N 1 0 386.474 -0.002 20 0 GBADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc1S(=O)(=O)N(C)C ZINC000659113458 1073000225 /nfs/dbraw/zinc/00/02/25/1073000225.db2.gz FTVDHVYGEFSOLG-NSHDSACASA-N 1 0 386.474 -0.002 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000659113762 1073000541 /nfs/dbraw/zinc/00/05/41/1073000541.db2.gz GYJJGUMKWDWZSJ-GFCCVEGCSA-N 1 0 384.458 -0.630 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000659113764 1073000475 /nfs/dbraw/zinc/00/04/75/1073000475.db2.gz GYJJGUMKWDWZSJ-LBPRGKRZSA-N 1 0 384.458 -0.630 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000659114219 1073001351 /nfs/dbraw/zinc/00/13/51/1073001351.db2.gz MELCYFVFRAPELS-JTQLQIEISA-N 1 0 384.458 -0.202 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000659114220 1073001619 /nfs/dbraw/zinc/00/16/19/1073001619.db2.gz MELCYFVFRAPELS-SNVBAGLBSA-N 1 0 384.458 -0.202 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000659114259 1073001881 /nfs/dbraw/zinc/00/18/81/1073001881.db2.gz UTANNBJRMWJSFD-LLVKDONJSA-N 1 0 379.442 -0.062 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000659114260 1073002089 /nfs/dbraw/zinc/00/20/89/1073002089.db2.gz UTANNBJRMWJSFD-NSHDSACASA-N 1 0 379.442 -0.062 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000659114808 1073001487 /nfs/dbraw/zinc/00/14/87/1073001487.db2.gz ZYUNWFDPDVANKH-CYBMUJFWSA-N 1 0 378.429 -0.413 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000659114809 1073001020 /nfs/dbraw/zinc/00/10/20/1073001020.db2.gz ZYUNWFDPDVANKH-ZDUSSCGKSA-N 1 0 378.429 -0.413 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000659114863 1073001559 /nfs/dbraw/zinc/00/15/59/1073001559.db2.gz QUYZLIQSQMMWBV-CYBMUJFWSA-N 1 0 377.445 -0.380 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000659114864 1073001533 /nfs/dbraw/zinc/00/15/33/1073001533.db2.gz QUYZLIQSQMMWBV-ZDUSSCGKSA-N 1 0 377.445 -0.380 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000659114887 1073001515 /nfs/dbraw/zinc/00/15/15/1073001515.db2.gz RFNQBXKZBFXCFK-LLVKDONJSA-N 1 0 385.490 -0.335 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000659114888 1073001248 /nfs/dbraw/zinc/00/12/48/1073001248.db2.gz RFNQBXKZBFXCFK-NSHDSACASA-N 1 0 385.490 -0.335 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000659114894 1073001135 /nfs/dbraw/zinc/00/11/35/1073001135.db2.gz RJRWGJHGVHARSS-CYBMUJFWSA-N 1 0 398.485 -0.321 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000659114897 1073001467 /nfs/dbraw/zinc/00/14/67/1073001467.db2.gz RJRWGJHGVHARSS-ZDUSSCGKSA-N 1 0 398.485 -0.321 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 ZINC000659115428 1073001192 /nfs/dbraw/zinc/00/11/92/1073001192.db2.gz WBQVUYUYAZRWKR-NEPJUHHUSA-N 1 0 386.474 -0.338 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 ZINC000659115429 1073001067 /nfs/dbraw/zinc/00/10/67/1073001067.db2.gz WBQVUYUYAZRWKR-NWDGAFQWSA-N 1 0 386.474 -0.338 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 ZINC000659115430 1073001186 /nfs/dbraw/zinc/00/11/86/1073001186.db2.gz WBQVUYUYAZRWKR-RYUDHWBXSA-N 1 0 386.474 -0.338 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 ZINC000659115432 1073001472 /nfs/dbraw/zinc/00/14/72/1073001472.db2.gz WBQVUYUYAZRWKR-VXGBXAGGSA-N 1 0 386.474 -0.338 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659124730 1073004464 /nfs/dbraw/zinc/00/44/64/1073004464.db2.gz OWINHTYUHHEMNS-DLBZAZTESA-N 1 0 393.532 -0.258 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659124732 1073004178 /nfs/dbraw/zinc/00/41/78/1073004178.db2.gz OWINHTYUHHEMNS-IAGOWNOFSA-N 1 0 393.532 -0.258 20 0 GBADRO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659124733 1073004046 /nfs/dbraw/zinc/00/40/46/1073004046.db2.gz OWINHTYUHHEMNS-IRXDYDNUSA-N 1 0 393.532 -0.258 20 0 GBADRO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659124734 1073004251 /nfs/dbraw/zinc/00/42/51/1073004251.db2.gz OWINHTYUHHEMNS-SJORKVTESA-N 1 0 393.532 -0.258 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000659140846 1073005287 /nfs/dbraw/zinc/00/52/87/1073005287.db2.gz LAAHJVSBNFAOQV-CVEARBPZSA-N 1 0 380.489 -0.186 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000659140848 1073005254 /nfs/dbraw/zinc/00/52/54/1073005254.db2.gz LAAHJVSBNFAOQV-HOTGVXAUSA-N 1 0 380.489 -0.186 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000659140850 1073005410 /nfs/dbraw/zinc/00/54/10/1073005410.db2.gz LAAHJVSBNFAOQV-HZPDHXFCSA-N 1 0 380.489 -0.186 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000659140852 1073005076 /nfs/dbraw/zinc/00/50/76/1073005076.db2.gz LAAHJVSBNFAOQV-JKSUJKDBSA-N 1 0 380.489 -0.186 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)ncn1 ZINC000659159253 1073005863 /nfs/dbraw/zinc/00/58/63/1073005863.db2.gz JWZCQBQNYDJXEQ-HNNXBMFYSA-N 1 0 388.472 -0.170 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)ncn1 ZINC000659159255 1073006088 /nfs/dbraw/zinc/00/60/88/1073006088.db2.gz JWZCQBQNYDJXEQ-OAHLLOKOSA-N 1 0 388.472 -0.170 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)CC2)C1 ZINC000659244224 1073013257 /nfs/dbraw/zinc/01/32/57/1073013257.db2.gz BDNJPULITFYRNJ-KRWDZBQOSA-N 1 0 395.548 -0.860 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(CC(C)(C)O)CC3)CC2)C1 ZINC000659244225 1073013342 /nfs/dbraw/zinc/01/33/42/1073013342.db2.gz BDNJPULITFYRNJ-QGZVFWFLSA-N 1 0 395.548 -0.860 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 ZINC000659247627 1073014381 /nfs/dbraw/zinc/01/43/81/1073014381.db2.gz PKOMNZYWFKJKRC-UHFFFAOYSA-N 1 0 378.458 -0.475 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000659250333 1073014412 /nfs/dbraw/zinc/01/44/12/1073014412.db2.gz KBELOIFSUXTBMF-UHFFFAOYSA-N 1 0 380.474 -0.005 20 0 GBADRO COc1cc(CNC(=O)c2cn(CC[NH3+])nn2)ccc1OCC(=O)N(C)C ZINC000659254088 1073014235 /nfs/dbraw/zinc/01/42/35/1073014235.db2.gz HBCZWLCDADOIFA-UHFFFAOYSA-N 1 0 376.417 -0.358 20 0 GBADRO COc1cccc(C(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1OC ZINC000659262292 1073013907 /nfs/dbraw/zinc/01/39/07/1073013907.db2.gz IHLYBKKXELZIMT-UHFFFAOYSA-N 1 0 388.428 -0.148 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)o1 ZINC000659263747 1073015526 /nfs/dbraw/zinc/01/55/26/1073015526.db2.gz DSOHAXFKRYBREE-UHFFFAOYSA-N 1 0 396.469 -0.127 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1 ZINC000659265130 1073015633 /nfs/dbraw/zinc/01/56/33/1073015633.db2.gz QZUQPTSNDOKAFF-UHFFFAOYSA-N 1 0 396.448 -0.087 20 0 GBADRO CN(CCN1CCOCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659267825 1073015244 /nfs/dbraw/zinc/01/52/44/1073015244.db2.gz CGUGGBLMMNIMNB-KRWDZBQOSA-N 1 0 381.521 -0.985 20 0 GBADRO CN(CCN1CCOCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659267827 1073015477 /nfs/dbraw/zinc/01/54/77/1073015477.db2.gz CGUGGBLMMNIMNB-QGZVFWFLSA-N 1 0 381.521 -0.985 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1OC ZINC000659268947 1073015076 /nfs/dbraw/zinc/01/50/76/1073015076.db2.gz JCEDESUKGVMLRH-UHFFFAOYSA-N 1 0 388.428 -0.148 20 0 GBADRO COc1ccc(C(=O)N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c(OC)c1 ZINC000659269128 1073014969 /nfs/dbraw/zinc/01/49/69/1073014969.db2.gz WUUAQYWLAALSBH-UHFFFAOYSA-N 1 0 388.428 -0.148 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)nn1 ZINC000659270350 1073014995 /nfs/dbraw/zinc/01/49/95/1073014995.db2.gz WOCMORWZZXAVLY-UHFFFAOYSA-N 1 0 397.483 -0.026 20 0 GBADRO [NH3+]CCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 ZINC000659270558 1073015181 /nfs/dbraw/zinc/01/51/81/1073015181.db2.gz DLBVMQZMTIYMMM-UHFFFAOYSA-N 1 0 380.430 -0.490 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)nn1 ZINC000659271275 1073015959 /nfs/dbraw/zinc/01/59/59/1073015959.db2.gz ODCFEFROHRRZKH-UHFFFAOYSA-N 1 0 378.458 -0.226 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000659271598 1073015158 /nfs/dbraw/zinc/01/51/58/1073015158.db2.gz PWQQHCMTLTVDND-AWEZNQCLSA-N 1 0 384.458 -0.502 20 0 GBADRO COc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1S(=O)(=O)NC1CC1 ZINC000659275861 1073016419 /nfs/dbraw/zinc/01/64/19/1073016419.db2.gz JNGWYEMDJOJRKE-UHFFFAOYSA-N 1 0 380.430 -0.062 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1 ZINC000659276490 1073016255 /nfs/dbraw/zinc/01/62/55/1073016255.db2.gz RBDBDZWZWSLKKO-UHFFFAOYSA-N 1 0 376.392 -0.261 20 0 GBADRO Cn1cc(CN2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)cn1 ZINC000659277492 1073016269 /nfs/dbraw/zinc/01/62/69/1073016269.db2.gz CHXADAKHCSKMQQ-UHFFFAOYSA-N 1 0 397.483 -0.192 20 0 GBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659277918 1073016083 /nfs/dbraw/zinc/01/60/83/1073016083.db2.gz HBNWJMRVCISYNC-UHFFFAOYSA-N 1 0 380.430 -0.062 20 0 GBADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000659278811 1073016309 /nfs/dbraw/zinc/01/63/09/1073016309.db2.gz DZZURBQQAHDCJH-UHFFFAOYSA-N 1 0 380.474 -0.005 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000659283186 1073016660 /nfs/dbraw/zinc/01/66/60/1073016660.db2.gz CORNWEATXQBYNG-KRWDZBQOSA-N 1 0 383.456 -0.200 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000659283187 1073015971 /nfs/dbraw/zinc/01/59/71/1073015971.db2.gz CORNWEATXQBYNG-QGZVFWFLSA-N 1 0 383.456 -0.200 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000659288892 1073017461 /nfs/dbraw/zinc/01/74/61/1073017461.db2.gz VCNVHPYQOFAUNS-INIZCTEOSA-N 1 0 398.529 -0.009 20 0 GBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CCCO[C@H](C)C3)CC2)C1 ZINC000659289499 1073016998 /nfs/dbraw/zinc/01/69/98/1073016998.db2.gz SJAKJDVEAPASKT-MSOLQXFVSA-N 1 0 396.532 -0.123 20 0 GBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N3CCCO[C@H](C)C3)CC2)C1 ZINC000659289511 1073017030 /nfs/dbraw/zinc/01/70/30/1073017030.db2.gz SJAKJDVEAPASKT-QZTJIDSGSA-N 1 0 396.532 -0.123 20 0 GBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CCCO[C@@H](C)C3)CC2)C1 ZINC000659289514 1073017696 /nfs/dbraw/zinc/01/76/96/1073017696.db2.gz SJAKJDVEAPASKT-ROUUACIJSA-N 1 0 396.532 -0.123 20 0 GBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N3CCCO[C@@H](C)C3)CC2)C1 ZINC000659289636 1073017547 /nfs/dbraw/zinc/01/75/47/1073017547.db2.gz SJAKJDVEAPASKT-ZWKOTPCHSA-N 1 0 396.532 -0.123 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000659289921 1073017166 /nfs/dbraw/zinc/01/71/66/1073017166.db2.gz HGTAZVOYJHJUBT-HNNXBMFYSA-N 1 0 399.517 -0.598 20 0 GBADRO O=C(CNC(=O)c1cc(Br)ccc1-n1cnnn1)N1CC[NH2+]CC1 ZINC000659301359 530380427 /nfs/dbraw/zinc/38/04/27/530380427.db2.gz YMGUDGTZOPEESQ-UHFFFAOYSA-N 1 0 394.233 -0.414 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659307465 1073019439 /nfs/dbraw/zinc/01/94/39/1073019439.db2.gz NGLYHQXWGKTDTF-AWEZNQCLSA-N 1 0 379.465 -0.585 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000659307466 1073018955 /nfs/dbraw/zinc/01/89/55/1073018955.db2.gz NGLYHQXWGKTDTF-CQSZACIVSA-N 1 0 379.465 -0.585 20 0 GBADRO COCCCn1nc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1=O ZINC000659310651 1073039688 /nfs/dbraw/zinc/03/96/88/1073039688.db2.gz BWIFSZINBYZRDZ-CYBMUJFWSA-N 1 0 391.394 -0.154 20 0 GBADRO COCCCn1nc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1=O ZINC000659310652 1073039642 /nfs/dbraw/zinc/03/96/42/1073039642.db2.gz BWIFSZINBYZRDZ-ZDUSSCGKSA-N 1 0 391.394 -0.154 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(n2cnnn2)CCOCC1 ZINC000659311601 1073039459 /nfs/dbraw/zinc/03/94/59/1073039459.db2.gz MZDPRHZXFVONRY-LLVKDONJSA-N 1 0 377.371 -0.869 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(n2cnnn2)CCOCC1 ZINC000659311602 1073039571 /nfs/dbraw/zinc/03/95/71/1073039571.db2.gz MZDPRHZXFVONRY-NSHDSACASA-N 1 0 377.371 -0.869 20 0 GBADRO O=C(CC1(n2cnnn2)CCOCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659312029 1073039367 /nfs/dbraw/zinc/03/93/67/1073039367.db2.gz UVBNSISWVSXDIP-GFCCVEGCSA-N 1 0 391.398 -0.479 20 0 GBADRO O=C(CC1(n2cnnn2)CCOCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659312031 1073039750 /nfs/dbraw/zinc/03/97/50/1073039750.db2.gz UVBNSISWVSXDIP-LBPRGKRZSA-N 1 0 391.398 -0.479 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCn3cc(C)nc3C2)CC1 ZINC000659318635 1073040128 /nfs/dbraw/zinc/04/01/28/1073040128.db2.gz NYACBTGKVHHESR-UHFFFAOYSA-N 1 0 390.488 -0.454 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000659320066 1073040217 /nfs/dbraw/zinc/04/02/17/1073040217.db2.gz BSBYAQVINLEOKI-HNNXBMFYSA-N 1 0 378.477 -0.286 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C2CC2)O1 ZINC000659324631 1073040441 /nfs/dbraw/zinc/04/04/41/1073040441.db2.gz ARFSFKGBLBXVFF-DOTOQJQBSA-N 1 0 392.500 -0.221 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C2CC2)O1 ZINC000659324632 1073040654 /nfs/dbraw/zinc/04/06/54/1073040654.db2.gz ARFSFKGBLBXVFF-NVXWUHKLSA-N 1 0 392.500 -0.221 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](C2CC2)O1 ZINC000659324633 1073040787 /nfs/dbraw/zinc/04/07/87/1073040787.db2.gz ARFSFKGBLBXVFF-RDJZCZTQSA-N 1 0 392.500 -0.221 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](C2CC2)O1 ZINC000659324634 1073040810 /nfs/dbraw/zinc/04/08/10/1073040810.db2.gz ARFSFKGBLBXVFF-WBVHZDCISA-N 1 0 392.500 -0.221 20 0 GBADRO Cc1cn2c(n1)CN(C(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CC2 ZINC000659324639 1073040118 /nfs/dbraw/zinc/04/01/18/1073040118.db2.gz BSTWMOVQRZJOGD-UHFFFAOYSA-N 1 0 388.472 -0.700 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC000659324657 1073041444 /nfs/dbraw/zinc/04/14/44/1073041444.db2.gz GHVONVPPLNXACG-IBGZPJMESA-N 1 0 378.473 -0.608 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 ZINC000659324658 1073041345 /nfs/dbraw/zinc/04/13/45/1073041345.db2.gz GHVONVPPLNXACG-LJQANCHMSA-N 1 0 378.473 -0.608 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000659324762 1073041501 /nfs/dbraw/zinc/04/15/01/1073041501.db2.gz PXTXGMLJUHRSHO-INIZCTEOSA-N 1 0 378.473 -0.610 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000659324763 1073041173 /nfs/dbraw/zinc/04/11/73/1073041173.db2.gz PXTXGMLJUHRSHO-MRXNPFEDSA-N 1 0 378.473 -0.610 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCOC3(CCC3)C2)CC1 ZINC000659324784 1073040310 /nfs/dbraw/zinc/04/03/10/1073040310.db2.gz RMMPNWRVUWDPIB-UHFFFAOYSA-N 1 0 378.473 -0.466 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000659325015 1073040594 /nfs/dbraw/zinc/04/05/94/1073040594.db2.gz XACBUENMRNHHGD-DLBZAZTESA-N 1 0 392.500 -0.362 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000659325016 1073040768 /nfs/dbraw/zinc/04/07/68/1073040768.db2.gz XACBUENMRNHHGD-IAGOWNOFSA-N 1 0 392.500 -0.362 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000659325017 1073040149 /nfs/dbraw/zinc/04/01/49/1073040149.db2.gz XACBUENMRNHHGD-IRXDYDNUSA-N 1 0 392.500 -0.362 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000659325018 1073040620 /nfs/dbraw/zinc/04/06/20/1073040620.db2.gz XACBUENMRNHHGD-SJORKVTESA-N 1 0 392.500 -0.362 20 0 GBADRO [NH3+]CCCn1cc(C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)nn1 ZINC000659335386 1073041202 /nfs/dbraw/zinc/04/12/02/1073041202.db2.gz ZGQUOBNNDLXDET-GASCZTMLSA-N 1 0 382.424 -0.116 20 0 GBADRO [NH3+]CCCn1cc(C(=O)NCCNC(=O)c2ccc(Br)cn2)nn1 ZINC000659337013 530149794 /nfs/dbraw/zinc/14/97/94/530149794.db2.gz UMLRKKFADLUHCB-UHFFFAOYSA-N 1 0 396.249 -0.056 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCCNC(=O)c2ccc(Br)cn2)nn1 ZINC000659337495 530150190 /nfs/dbraw/zinc/15/01/90/530150190.db2.gz WXEFSGMXCFUJPM-UHFFFAOYSA-N 1 0 382.222 -0.446 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344516 1073042529 /nfs/dbraw/zinc/04/25/29/1073042529.db2.gz BCOPRJNPVHNAAD-KRWDZBQOSA-N 1 0 393.532 -0.308 20 0 GBADRO CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1=O ZINC000659344517 1073042582 /nfs/dbraw/zinc/04/25/82/1073042582.db2.gz BCOPRJNPVHNAAD-QGZVFWFLSA-N 1 0 393.532 -0.308 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344532 1073041855 /nfs/dbraw/zinc/04/18/55/1073041855.db2.gz BVASUMIWOPETLA-DJIMGWMZSA-N 1 0 382.505 -0.779 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](CO)O1 ZINC000659344533 1073041790 /nfs/dbraw/zinc/04/17/90/1073041790.db2.gz BVASUMIWOPETLA-HYVNUMGLSA-N 1 0 382.505 -0.779 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](CO)O1 ZINC000659344534 1073042690 /nfs/dbraw/zinc/04/26/90/1073042690.db2.gz BVASUMIWOPETLA-OIISXLGYSA-N 1 0 382.505 -0.779 20 0 GBADRO 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390.554 -0.821 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)nn1 ZINC000659628376 1073060584 /nfs/dbraw/zinc/06/05/84/1073060584.db2.gz BICNTCWIYHBBKH-UHFFFAOYSA-N 1 0 388.432 -0.139 20 0 GBADRO CC(C)CN1C[C@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CCN2C1=O ZINC000659630030 1073061439 /nfs/dbraw/zinc/06/14/39/1073061439.db2.gz LWPMQOBAUWQGTK-CYBMUJFWSA-N 1 0 377.449 -0.072 20 0 GBADRO CC(C)CN1C[C@@H]2CN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CCN2C1=O ZINC000659630031 1073061386 /nfs/dbraw/zinc/06/13/86/1073061386.db2.gz LWPMQOBAUWQGTK-ZDUSSCGKSA-N 1 0 377.449 -0.072 20 0 GBADRO C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1c1nccn2cnnc12 ZINC000659630185 1073061353 /nfs/dbraw/zinc/06/13/53/1073061353.db2.gz GBIYNMPYOOMBNF-LLVKDONJSA-N 1 0 398.431 -0.501 20 0 GBADRO C[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1c1nccn2cnnc12 ZINC000659630186 1073061526 /nfs/dbraw/zinc/06/15/26/1073061526.db2.gz GBIYNMPYOOMBNF-NSHDSACASA-N 1 0 398.431 -0.501 20 0 GBADRO Cc1cc(C(=O)N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)[C@H](C)C2)[nH]n1 ZINC000659630745 1073061445 /nfs/dbraw/zinc/06/14/45/1073061445.db2.gz UEMJBYMDBAWJFL-LLVKDONJSA-N 1 0 388.432 -0.271 20 0 GBADRO COc1ccccc1CCNC(=O)CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630923 1073061004 /nfs/dbraw/zinc/06/10/04/1073061004.db2.gz WYUYFADEPZAPJK-UHFFFAOYSA-N 1 0 388.428 -0.192 20 0 GBADRO NC(=O)c1ccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1 ZINC000659631148 1073061599 /nfs/dbraw/zinc/06/15/99/1073061599.db2.gz ACWQDQYIUWJPMU-UHFFFAOYSA-N 1 0 385.428 -0.228 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631211 1073061404 /nfs/dbraw/zinc/06/14/04/1073061404.db2.gz BSDFXYCSUQFPQZ-LLVKDONJSA-N 1 0 377.449 -0.865 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631212 1073061431 /nfs/dbraw/zinc/06/14/31/1073061431.db2.gz BSDFXYCSUQFPQZ-NSHDSACASA-N 1 0 377.449 -0.865 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000659631277 1073060967 /nfs/dbraw/zinc/06/09/67/1073060967.db2.gz UBEQLEIHHXROAK-UHFFFAOYSA-N 1 0 384.462 -0.603 20 0 GBADRO NC(=O)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659631398 1073061245 /nfs/dbraw/zinc/06/12/45/1073061245.db2.gz DQZXYNYRAFPHIX-LLVKDONJSA-N 1 0 376.392 -0.077 20 0 GBADRO NC(=O)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659631399 1073061415 /nfs/dbraw/zinc/06/14/15/1073061415.db2.gz DQZXYNYRAFPHIX-NSHDSACASA-N 1 0 376.392 -0.077 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631466 1073061218 /nfs/dbraw/zinc/06/12/18/1073061218.db2.gz FLSPCLFWJPELLE-CYBMUJFWSA-N 1 0 391.476 -0.521 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631471 1073061642 /nfs/dbraw/zinc/06/16/42/1073061642.db2.gz FLSPCLFWJPELLE-ZDUSSCGKSA-N 1 0 391.476 -0.521 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631831 1073060983 /nfs/dbraw/zinc/06/09/83/1073060983.db2.gz HTXXCGCKJIMGAO-UHFFFAOYSA-N 1 0 379.465 -0.664 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632573 1073061671 /nfs/dbraw/zinc/06/16/71/1073061671.db2.gz BKSUBMSBTRNZAK-GFCCVEGCSA-N 1 0 379.465 -0.617 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632574 1073060949 /nfs/dbraw/zinc/06/09/49/1073060949.db2.gz BKSUBMSBTRNZAK-LBPRGKRZSA-N 1 0 379.465 -0.617 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000659632843 1073061269 /nfs/dbraw/zinc/06/12/69/1073061269.db2.gz JFARZWVYZQGEKZ-UHFFFAOYSA-N 1 0 377.449 -0.910 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659632869 1073061396 /nfs/dbraw/zinc/06/13/96/1073061396.db2.gz JSXFTUQQWZBPPP-NEPJUHHUSA-N 1 0 380.449 -0.286 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659632870 1073061423 /nfs/dbraw/zinc/06/14/23/1073061423.db2.gz JSXFTUQQWZBPPP-NWDGAFQWSA-N 1 0 380.449 -0.286 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659632871 1073061469 /nfs/dbraw/zinc/06/14/69/1073061469.db2.gz JSXFTUQQWZBPPP-RYUDHWBXSA-N 1 0 380.449 -0.286 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659632872 1073061317 /nfs/dbraw/zinc/06/13/17/1073061317.db2.gz JSXFTUQQWZBPPP-VXGBXAGGSA-N 1 0 380.449 -0.286 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659633140 1073061458 /nfs/dbraw/zinc/06/14/58/1073061458.db2.gz QBPGFIOGCUWJTB-GFCCVEGCSA-N 1 0 386.478 -0.356 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659633142 1073061038 /nfs/dbraw/zinc/06/10/38/1073061038.db2.gz QBPGFIOGCUWJTB-LBPRGKRZSA-N 1 0 386.478 -0.356 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633320 1073061698 /nfs/dbraw/zinc/06/16/98/1073061698.db2.gz RRDNWQCIVQFEES-UHFFFAOYSA-N 1 0 393.492 -0.273 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000659633419 1073061333 /nfs/dbraw/zinc/06/13/33/1073061333.db2.gz UKSIIIZJJQLYOK-LLVKDONJSA-N 1 0 391.384 -0.391 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000659633424 1073061547 /nfs/dbraw/zinc/06/15/47/1073061547.db2.gz UKSIIIZJJQLYOK-NSHDSACASA-N 1 0 391.384 -0.391 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000659633800 1073062138 /nfs/dbraw/zinc/06/21/38/1073062138.db2.gz YSVMUMQVBXPXAD-UHFFFAOYSA-N 1 0 391.476 -0.519 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659636707 530150153 /nfs/dbraw/zinc/15/01/53/530150153.db2.gz BGCGHWHAWGLIQP-BFHYXJOUSA-N 1 0 377.511 -0.725 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659636708 530150174 /nfs/dbraw/zinc/15/01/74/530150174.db2.gz BGCGHWHAWGLIQP-IHRRRGAJSA-N 1 0 377.511 -0.725 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659636709 530149768 /nfs/dbraw/zinc/14/97/68/530149768.db2.gz BGCGHWHAWGLIQP-MCIONIFRSA-N 1 0 377.511 -0.725 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659636710 530150257 /nfs/dbraw/zinc/15/02/57/530150257.db2.gz BGCGHWHAWGLIQP-MELADBBJSA-N 1 0 377.511 -0.725 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000659640582 1073063414 /nfs/dbraw/zinc/06/34/14/1073063414.db2.gz WYWZLXFUWLTLJG-GFCCVEGCSA-N 1 0 395.485 -0.195 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000659640584 1073063607 /nfs/dbraw/zinc/06/36/07/1073063607.db2.gz WYWZLXFUWLTLJG-LBPRGKRZSA-N 1 0 395.485 -0.195 20 0 GBADRO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000659642753 1073062598 /nfs/dbraw/zinc/06/25/98/1073062598.db2.gz ZTAIIQWXLYMXBT-UHFFFAOYSA-N 1 0 399.561 -0.263 20 0 GBADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000659644474 1073062467 /nfs/dbraw/zinc/06/24/67/1073062467.db2.gz MPMBFHVWOCIULT-CVEARBPZSA-N 1 0 394.497 -0.391 20 0 GBADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000659644475 1073062427 /nfs/dbraw/zinc/06/24/27/1073062427.db2.gz MPMBFHVWOCIULT-HOTGVXAUSA-N 1 0 394.497 -0.391 20 0 GBADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644476 1073062800 /nfs/dbraw/zinc/06/28/00/1073062800.db2.gz MPMBFHVWOCIULT-HZPDHXFCSA-N 1 0 394.497 -0.391 20 0 GBADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000659644477 1073062341 /nfs/dbraw/zinc/06/23/41/1073062341.db2.gz MPMBFHVWOCIULT-JKSUJKDBSA-N 1 0 394.497 -0.391 20 0 GBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659651054 1073063715 /nfs/dbraw/zinc/06/37/15/1073063715.db2.gz AROLMGNDFFYDTM-CVEARBPZSA-N 1 0 379.505 -0.648 20 0 GBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659651055 1073063554 /nfs/dbraw/zinc/06/35/54/1073063554.db2.gz AROLMGNDFFYDTM-HOTGVXAUSA-N 1 0 379.505 -0.648 20 0 GBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659651056 1073063335 /nfs/dbraw/zinc/06/33/35/1073063335.db2.gz AROLMGNDFFYDTM-HZPDHXFCSA-N 1 0 379.505 -0.648 20 0 GBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659651057 1073063748 /nfs/dbraw/zinc/06/37/48/1073063748.db2.gz AROLMGNDFFYDTM-JKSUJKDBSA-N 1 0 379.505 -0.648 20 0 GBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000659651364 1073063694 /nfs/dbraw/zinc/06/36/94/1073063694.db2.gz DXQUBWMCSLGYGJ-PMRDEQMMSA-N 1 0 391.516 -0.507 20 0 GBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000659651365 1073063793 /nfs/dbraw/zinc/06/37/93/1073063793.db2.gz DXQUBWMCSLGYGJ-VPSFDDGASA-N 1 0 391.516 -0.507 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659652715 1073065313 /nfs/dbraw/zinc/06/53/13/1073065313.db2.gz QNJDHVWEUYVXDP-CYBMUJFWSA-N 1 0 375.429 -0.524 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000659652717 1073065116 /nfs/dbraw/zinc/06/51/16/1073065116.db2.gz QNJDHVWEUYVXDP-ZDUSSCGKSA-N 1 0 375.429 -0.524 20 0 GBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000659653085 1073065025 /nfs/dbraw/zinc/06/50/25/1073065025.db2.gz DETHMXCLBUIBAU-CYBMUJFWSA-N 1 0 375.429 -0.524 20 0 GBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000659653087 1073065134 /nfs/dbraw/zinc/06/51/34/1073065134.db2.gz DETHMXCLBUIBAU-ZDUSSCGKSA-N 1 0 375.429 -0.524 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)CC1 ZINC000659653278 1073064903 /nfs/dbraw/zinc/06/49/03/1073064903.db2.gz SZQILBGBWGMNJI-INIZCTEOSA-N 1 0 393.532 -0.260 20 0 GBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)CC1 ZINC000659653279 1073065296 /nfs/dbraw/zinc/06/52/96/1073065296.db2.gz SZQILBGBWGMNJI-MRXNPFEDSA-N 1 0 393.532 -0.260 20 0 GBADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659653377 1073065053 /nfs/dbraw/zinc/06/50/53/1073065053.db2.gz FNEMYERTJPJRKL-HNNXBMFYSA-N 1 0 380.489 -0.316 20 0 GBADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659653380 1073064935 /nfs/dbraw/zinc/06/49/35/1073064935.db2.gz FNEMYERTJPJRKL-OAHLLOKOSA-N 1 0 380.489 -0.316 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000659654223 1073065971 /nfs/dbraw/zinc/06/59/71/1073065971.db2.gz OSYUZSSCHOKSMJ-BBWFWOEESA-N 1 0 393.532 -0.260 20 0 GBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659654224 1073065597 /nfs/dbraw/zinc/06/55/97/1073065597.db2.gz OSYUZSSCHOKSMJ-BRWVUGGUSA-N 1 0 393.532 -0.260 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659654225 1073065608 /nfs/dbraw/zinc/06/56/08/1073065608.db2.gz OSYUZSSCHOKSMJ-IXDOHACOSA-N 1 0 393.532 -0.260 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000659654226 1073066058 /nfs/dbraw/zinc/06/60/58/1073066058.db2.gz OSYUZSSCHOKSMJ-YESZJQIVSA-N 1 0 393.532 -0.260 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000659670172 1073069561 /nfs/dbraw/zinc/06/95/61/1073069561.db2.gz AMGGALJQBRIYJD-IDYZSHNDSA-N 1 0 386.496 -0.086 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000659670174 1073070857 /nfs/dbraw/zinc/07/08/57/1073070857.db2.gz AMGGALJQBRIYJD-WBTXTPOCSA-N 1 0 386.496 -0.086 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000659670246 1073069718 /nfs/dbraw/zinc/06/97/18/1073069718.db2.gz BUKYWQJYMGNVNY-IDYZSHNDSA-N 1 0 386.496 -0.004 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000659670248 1073069889 /nfs/dbraw/zinc/06/98/89/1073069889.db2.gz BUKYWQJYMGNVNY-WBTXTPOCSA-N 1 0 386.496 -0.004 20 0 GBADRO CN(c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1)S(C)(=O)=O ZINC000659671601 1073070252 /nfs/dbraw/zinc/07/02/52/1073070252.db2.gz CSIOPESQTRMSBC-UHFFFAOYSA-N 1 0 380.470 -0.352 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H](C[NH3+])C1 ZINC000659671666 1073070421 /nfs/dbraw/zinc/07/04/21/1073070421.db2.gz IIGUOCYNWZFGKI-KGLIPLIRSA-N 1 0 378.477 -0.527 20 0 GBADRO CN(c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1)S(C)(=O)=O ZINC000659671791 1073070736 /nfs/dbraw/zinc/07/07/36/1073070736.db2.gz HDWONMFTYBGMDJ-UHFFFAOYSA-N 1 0 380.470 -0.433 20 0 GBADRO CN(c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1)S(C)(=O)=O ZINC000659671987 1073070886 /nfs/dbraw/zinc/07/08/86/1073070886.db2.gz LIYLRZIKDQXTHO-ZIAGYGMSSA-N 1 0 386.449 -0.404 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC[C@H]1F ZINC000659672584 1073070432 /nfs/dbraw/zinc/07/04/32/1073070432.db2.gz VVVHDPHQAJBHPR-KZNAEPCWSA-N 1 0 392.475 -0.056 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC[C@H]1F ZINC000659672587 1073070905 /nfs/dbraw/zinc/07/09/05/1073070905.db2.gz VVVHDPHQAJBHPR-RCCFBDPRSA-N 1 0 392.475 -0.056 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672744 1073070321 /nfs/dbraw/zinc/07/03/21/1073070321.db2.gz AWJKFSRFVKZUDP-BRWVUGGUSA-N 1 0 378.448 -0.099 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC[C@H]1F ZINC000659672746 1073070231 /nfs/dbraw/zinc/07/02/31/1073070231.db2.gz AWJKFSRFVKZUDP-GVDBMIGSSA-N 1 0 378.448 -0.099 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000659673436 1073070745 /nfs/dbraw/zinc/07/07/45/1073070745.db2.gz JJKSRWSXXQAUMF-CYBMUJFWSA-N 1 0 388.428 -0.197 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000659673437 1073070461 /nfs/dbraw/zinc/07/04/61/1073070461.db2.gz JJKSRWSXXQAUMF-ZDUSSCGKSA-N 1 0 388.428 -0.197 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000659674492 1073072467 /nfs/dbraw/zinc/07/24/67/1073072467.db2.gz TUZPGNIUTPMTTC-PBHICJAKSA-N 1 0 378.473 -0.091 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000659674496 1073072048 /nfs/dbraw/zinc/07/20/48/1073072048.db2.gz TUZPGNIUTPMTTC-RHSMWYFYSA-N 1 0 378.473 -0.091 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000659674500 1073072666 /nfs/dbraw/zinc/07/26/66/1073072666.db2.gz TUZPGNIUTPMTTC-WMLDXEAASA-N 1 0 378.473 -0.091 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000659674504 1073073224 /nfs/dbraw/zinc/07/32/24/1073073224.db2.gz TUZPGNIUTPMTTC-YOEHRIQHSA-N 1 0 378.473 -0.091 20 0 GBADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659675247 1073072214 /nfs/dbraw/zinc/07/22/14/1073072214.db2.gz MPMRRZUUZSZKEK-JTQLQIEISA-N 1 0 377.376 -0.020 20 0 GBADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659675248 1073072534 /nfs/dbraw/zinc/07/25/34/1073072534.db2.gz MPMRRZUUZSZKEK-SNVBAGLBSA-N 1 0 377.376 -0.020 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000659675268 1073072679 /nfs/dbraw/zinc/07/26/79/1073072679.db2.gz NAVOXPGKZBEKNP-CYBMUJFWSA-N 1 0 384.396 -0.821 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 ZINC000659675270 1073072243 /nfs/dbraw/zinc/07/22/43/1073072243.db2.gz NAVOXPGKZBEKNP-ZDUSSCGKSA-N 1 0 384.396 -0.821 20 0 GBADRO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1=O ZINC000659676595 1073073019 /nfs/dbraw/zinc/07/30/19/1073073019.db2.gz DEPFYJOABPDDKE-CYBMUJFWSA-N 1 0 376.461 -0.585 20 0 GBADRO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1=O ZINC000659676596 1073073339 /nfs/dbraw/zinc/07/33/39/1073073339.db2.gz DEPFYJOABPDDKE-ZDUSSCGKSA-N 1 0 376.461 -0.585 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C[NH3+])C1 ZINC000659676746 1073073830 /nfs/dbraw/zinc/07/38/30/1073073830.db2.gz GOYUSXIOHFSQKQ-ILXRZTDVSA-N 1 0 390.488 -0.387 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)[C@H](C[NH3+])C1 ZINC000659676913 1073073575 /nfs/dbraw/zinc/07/35/75/1073073575.db2.gz GOYUSXIOHFSQKQ-QLFBSQMISA-N 1 0 390.488 -0.387 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000659677234 1073073752 /nfs/dbraw/zinc/07/37/52/1073073752.db2.gz LRTVYJCHCVGOEW-UHFFFAOYSA-N 1 0 377.445 -0.693 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC[C@H]1F ZINC000659677256 1073073954 /nfs/dbraw/zinc/07/39/54/1073073954.db2.gz MXDGAPVCVMLRNE-KFWWJZLASA-N 1 0 377.420 -0.414 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC[C@H]1F ZINC000659677258 1073073869 /nfs/dbraw/zinc/07/38/69/1073073869.db2.gz MXDGAPVCVMLRNE-RBSFLKMASA-N 1 0 377.420 -0.414 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000659677273 1073073970 /nfs/dbraw/zinc/07/39/70/1073073970.db2.gz NDGXTCMKKQUSGV-CYBMUJFWSA-N 1 0 381.477 -0.153 20 0 GBADRO CCOc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1OC ZINC000659677360 1073074073 /nfs/dbraw/zinc/07/40/73/1073074073.db2.gz OQVFNCNDRYODHA-UHFFFAOYSA-N 1 0 389.412 -0.019 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000659677485 1073074022 /nfs/dbraw/zinc/07/40/22/1073074022.db2.gz OXERIUHLPODVGI-CYBMUJFWSA-N 1 0 398.485 -0.952 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000659677487 1073073616 /nfs/dbraw/zinc/07/36/16/1073073616.db2.gz OXERIUHLPODVGI-ZDUSSCGKSA-N 1 0 398.485 -0.952 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCCC1 ZINC000659677511 1073073512 /nfs/dbraw/zinc/07/35/12/1073073512.db2.gz PFXDCUARASAWBH-UHFFFAOYSA-N 1 0 379.461 -0.255 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000659677726 1073071682 /nfs/dbraw/zinc/07/16/82/1073071682.db2.gz RJPBKHXONZWDNJ-KGLIPLIRSA-N 1 0 393.488 -0.057 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677801 1073071666 /nfs/dbraw/zinc/07/16/66/1073071666.db2.gz VFRPYNJFVGFNEK-UHFFFAOYSA-N 1 0 377.445 -0.775 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000659678495 1073071426 /nfs/dbraw/zinc/07/14/26/1073071426.db2.gz YYVZNLFJPPYURR-KGLIPLIRSA-N 1 0 378.477 -0.483 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000659678497 1073071491 /nfs/dbraw/zinc/07/14/91/1073071491.db2.gz YYVZNLFJPPYURR-ZIAGYGMSSA-N 1 0 378.477 -0.483 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC[C@H]1F ZINC000659678553 1073071874 /nfs/dbraw/zinc/07/18/74/1073071874.db2.gz ZMXLBIQQLQPRQZ-VXGBXAGGSA-N 1 0 383.424 -0.745 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCN2CCc3sccc3C2)n1 ZINC000659679326 1073071295 /nfs/dbraw/zinc/07/12/95/1073071295.db2.gz UQKUOTSGZLVUJH-UHFFFAOYSA-N 1 0 390.469 -0.507 20 0 GBADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000659680713 1073072285 /nfs/dbraw/zinc/07/22/85/1073072285.db2.gz JSPCKEAWMSEJLT-AWEZNQCLSA-N 1 0 382.486 -0.190 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c(OC)c1 ZINC000659680962 1073073134 /nfs/dbraw/zinc/07/31/34/1073073134.db2.gz NNXNSASBVQOJIN-UHFFFAOYSA-N 1 0 389.412 -0.367 20 0 GBADRO COc1ccc(OCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659681140 1073072880 /nfs/dbraw/zinc/07/28/80/1073072880.db2.gz PIRYVWLQYRFKRM-UHFFFAOYSA-N 1 0 389.412 -0.149 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCCn2cnc3ccccc32)n1 ZINC000659681154 1073072776 /nfs/dbraw/zinc/07/27/76/1073072776.db2.gz XTFAUTOLFVWACP-UHFFFAOYSA-N 1 0 383.412 -0.187 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@H](C[NH3+])C1 ZINC000659681192 1073072915 /nfs/dbraw/zinc/07/29/15/1073072915.db2.gz QRFYAJBJDNGLFU-RVKKMQEKSA-N 1 0 384.546 -0.104 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[C@H](C[NH3+])C1 ZINC000659681193 1073073290 /nfs/dbraw/zinc/07/32/90/1073073290.db2.gz QRFYAJBJDNGLFU-VKJFTORMSA-N 1 0 384.546 -0.104 20 0 GBADRO COc1ccc(OCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659681613 1073072067 /nfs/dbraw/zinc/07/20/67/1073072067.db2.gz XRGUUBOXGZIAFZ-UHFFFAOYSA-N 1 0 375.385 -0.539 20 0 GBADRO Cc1nc2ccccc2n1CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659681760 1073076325 /nfs/dbraw/zinc/07/63/25/1073076325.db2.gz OALRRYBFUVUPPW-UHFFFAOYSA-N 1 0 383.412 -0.268 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000659682133 1073075941 /nfs/dbraw/zinc/07/59/41/1073075941.db2.gz TWRGYOVOWUIZIV-CVEARBPZSA-N 1 0 382.505 -0.430 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659682497 1073071279 /nfs/dbraw/zinc/07/12/79/1073071279.db2.gz AXLOAIAEJKTPFA-UHFFFAOYSA-N 1 0 380.470 -0.780 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659682498 1073072273 /nfs/dbraw/zinc/07/22/73/1073072273.db2.gz BANIPUPUVACQJQ-UHFFFAOYSA-N 1 0 380.470 -0.698 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659682548 1073076787 /nfs/dbraw/zinc/07/67/87/1073076787.db2.gz CYKRQCWVAOBISC-UHFFFAOYSA-N 1 0 382.486 -0.260 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000659682694 1073076298 /nfs/dbraw/zinc/07/62/98/1073076298.db2.gz GCFRSNKHWCAFBQ-CYBMUJFWSA-N 1 0 384.502 -0.145 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000659682695 1073076357 /nfs/dbraw/zinc/07/63/57/1073076357.db2.gz GCFRSNKHWCAFBQ-ZDUSSCGKSA-N 1 0 384.502 -0.145 20 0 GBADRO C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659682725 1073076061 /nfs/dbraw/zinc/07/60/61/1073076061.db2.gz GZSCDLMNNBQYRS-RYUDHWBXSA-N 1 0 394.476 -0.739 20 0 GBADRO C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659682726 1073076096 /nfs/dbraw/zinc/07/60/96/1073076096.db2.gz GZSCDLMNNBQYRS-TXEJJXNPSA-N 1 0 394.476 -0.739 20 0 GBADRO C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H](C)O1 ZINC000659682727 1073075967 /nfs/dbraw/zinc/07/59/67/1073075967.db2.gz GZSCDLMNNBQYRS-VXGBXAGGSA-N 1 0 394.476 -0.739 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)N2CCOCC2)o1 ZINC000659682960 1073073500 /nfs/dbraw/zinc/07/35/00/1073073500.db2.gz LDHJOYUYOORDFY-HVEKOLDVSA-N 1 0 376.457 -0.054 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)N2CCOCC2)o1 ZINC000659682961 1073073884 /nfs/dbraw/zinc/07/38/84/1073073884.db2.gz LDHJOYUYOORDFY-XAUUPUKJSA-N 1 0 376.457 -0.054 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000659682985 1073073694 /nfs/dbraw/zinc/07/36/94/1073073694.db2.gz QWSCEDYVZHVBOE-KBPBESRZSA-N 1 0 392.460 -0.983 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000659682986 1073073839 /nfs/dbraw/zinc/07/38/39/1073073839.db2.gz QWSCEDYVZHVBOE-KGLIPLIRSA-N 1 0 392.460 -0.983 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000659682987 1073073779 /nfs/dbraw/zinc/07/37/79/1073073779.db2.gz QWSCEDYVZHVBOE-UONOGXRCSA-N 1 0 392.460 -0.983 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000659682988 1073073912 /nfs/dbraw/zinc/07/39/12/1073073912.db2.gz QWSCEDYVZHVBOE-ZIAGYGMSSA-N 1 0 392.460 -0.983 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659683322 1073076649 /nfs/dbraw/zinc/07/66/49/1073076649.db2.gz QSTBYDGGLQWWKN-ZIAGYGMSSA-N 1 0 386.449 -0.750 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000659683354 1073076341 /nfs/dbraw/zinc/07/63/41/1073076341.db2.gz RXYZVIGEPPZZQH-CJNGLKHVSA-N 1 0 396.513 -0.062 20 0 GBADRO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000659683590 1073076234 /nfs/dbraw/zinc/07/62/34/1073076234.db2.gz XIBARHSCBUXPGS-OAHLLOKOSA-N 1 0 384.502 -0.158 20 0 GBADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)N2CCOCC2)o1 ZINC000659683629 1073074045 /nfs/dbraw/zinc/07/40/45/1073074045.db2.gz YPHTYSXCTCMORG-KFWWJZLASA-N 1 0 382.436 -0.025 20 0 GBADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)N2CCOCC2)o1 ZINC000659683630 1073074031 /nfs/dbraw/zinc/07/40/31/1073074031.db2.gz YPHTYSXCTCMORG-RBSFLKMASA-N 1 0 382.436 -0.025 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000659683631 1073073986 /nfs/dbraw/zinc/07/39/86/1073073986.db2.gz YRJRVSXIFHFJNH-GFCCVEGCSA-N 1 0 388.403 -0.209 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000659683632 1073073761 /nfs/dbraw/zinc/07/37/61/1073073761.db2.gz YRJRVSXIFHFJNH-LBPRGKRZSA-N 1 0 388.403 -0.209 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000659683687 1073074642 /nfs/dbraw/zinc/07/46/42/1073074642.db2.gz AFSZMTCVKPASJY-CYBMUJFWSA-N 1 0 384.502 -0.145 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000659683689 1073074763 /nfs/dbraw/zinc/07/47/63/1073074763.db2.gz AFSZMTCVKPASJY-ZDUSSCGKSA-N 1 0 384.502 -0.145 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659683723 1073074894 /nfs/dbraw/zinc/07/48/94/1073074894.db2.gz AXCHHCFLPWSLPK-DLGFLZQMSA-N 1 0 380.470 -0.360 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659683725 1073074435 /nfs/dbraw/zinc/07/44/35/1073074435.db2.gz AXCHHCFLPWSLPK-ZBFVHZJFSA-N 1 0 380.470 -0.360 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000659683933 1073074601 /nfs/dbraw/zinc/07/46/01/1073074601.db2.gz CUQXYJBIZHLZII-AWEZNQCLSA-N 1 0 375.473 -0.070 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000659683934 1073074795 /nfs/dbraw/zinc/07/47/95/1073074795.db2.gz CUQXYJBIZHLZII-CQSZACIVSA-N 1 0 375.473 -0.070 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659684185 1073074262 /nfs/dbraw/zinc/07/42/62/1073074262.db2.gz FVHIOUKSXCJMNN-DLGFLZQMSA-N 1 0 380.470 -0.278 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659684189 1073074686 /nfs/dbraw/zinc/07/46/86/1073074686.db2.gz FVHIOUKSXCJMNN-ZBFVHZJFSA-N 1 0 380.470 -0.278 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000659684232 1073073818 /nfs/dbraw/zinc/07/38/18/1073073818.db2.gz GQLPKDDKVGKWGK-BBRMVZONSA-N 1 0 376.457 -0.064 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000659684234 1073073647 /nfs/dbraw/zinc/07/36/47/1073073647.db2.gz GQLPKDDKVGKWGK-CJNGLKHVSA-N 1 0 376.457 -0.064 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000659684236 1073073464 /nfs/dbraw/zinc/07/34/64/1073073464.db2.gz GQLPKDDKVGKWGK-CZUORRHYSA-N 1 0 376.457 -0.064 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000659684238 1073073660 /nfs/dbraw/zinc/07/36/60/1073073660.db2.gz GQLPKDDKVGKWGK-XJKSGUPXSA-N 1 0 376.457 -0.064 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000659684564 1073073722 /nfs/dbraw/zinc/07/37/22/1073073722.db2.gz GWXYISHKWVQZMD-UHFFFAOYSA-N 1 0 392.481 -0.208 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659684688 1073074898 /nfs/dbraw/zinc/07/48/98/1073074898.db2.gz IZTOHJPTVOMBNC-UHFFFAOYSA-N 1 0 380.470 -0.579 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000659684843 1073074524 /nfs/dbraw/zinc/07/45/24/1073074524.db2.gz LVFYNKPTPMMGSD-CYBMUJFWSA-N 1 0 384.502 -0.039 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000659684845 1073074594 /nfs/dbraw/zinc/07/45/94/1073074594.db2.gz LVFYNKPTPMMGSD-ZDUSSCGKSA-N 1 0 384.502 -0.039 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000659684913 1073074752 /nfs/dbraw/zinc/07/47/52/1073074752.db2.gz JMDYQHVRMQQPTJ-UHFFFAOYSA-N 1 0 392.481 -0.208 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659685122 1073074464 /nfs/dbraw/zinc/07/44/64/1073074464.db2.gz NEDMDTYBFFRYCY-CHWSQXEVSA-N 1 0 386.449 -0.549 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000659685236 1073074494 /nfs/dbraw/zinc/07/44/94/1073074494.db2.gz OXCDEENCNLLSEU-AWEZNQCLSA-N 1 0 396.513 -0.012 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000659685237 1073074720 /nfs/dbraw/zinc/07/47/20/1073074720.db2.gz OXCDEENCNLLSEU-CQSZACIVSA-N 1 0 396.513 -0.012 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC[C@H]1F ZINC000659685433 1073074393 /nfs/dbraw/zinc/07/43/93/1073074393.db2.gz MSNJFZQBRUTQGU-HUUCEWRRSA-N 1 0 398.460 -0.260 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[C@H]1F ZINC000659685436 1073074306 /nfs/dbraw/zinc/07/43/06/1073074306.db2.gz RXAQGMODPCKRGC-KFWWJZLASA-N 1 0 380.395 -0.060 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659685456 1073074553 /nfs/dbraw/zinc/07/45/53/1073074553.db2.gz NLMWXUJWLOKRLR-ABAIWWIYSA-N 1 0 378.429 -0.351 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659685457 1073074482 /nfs/dbraw/zinc/07/44/82/1073074482.db2.gz NLMWXUJWLOKRLR-IAQYHMDHSA-N 1 0 378.429 -0.351 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659685458 1073074850 /nfs/dbraw/zinc/07/48/50/1073074850.db2.gz NLMWXUJWLOKRLR-NHYWBVRUSA-N 1 0 378.429 -0.351 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659685459 1073074453 /nfs/dbraw/zinc/07/44/53/1073074453.db2.gz NLMWXUJWLOKRLR-XHDPSFHLSA-N 1 0 378.429 -0.351 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC[C@H]1F ZINC000659685475 1073074621 /nfs/dbraw/zinc/07/46/21/1073074621.db2.gz RXAQGMODPCKRGC-RBSFLKMASA-N 1 0 380.395 -0.060 20 0 GBADRO COc1ccc(OC)c(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659685548 1073074248 /nfs/dbraw/zinc/07/42/48/1073074248.db2.gz RWLAVRMPDTWISZ-UHFFFAOYSA-N 1 0 389.412 -0.367 20 0 GBADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC000659685698 1073074774 /nfs/dbraw/zinc/07/47/74/1073074774.db2.gz UGFZVUFOXLJHKN-JHJVBQTASA-N 1 0 378.404 -0.186 20 0 GBADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC000659685699 1073074580 /nfs/dbraw/zinc/07/45/80/1073074580.db2.gz UGFZVUFOXLJHKN-UPJWGTAASA-N 1 0 378.404 -0.186 20 0 GBADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685770 1073074675 /nfs/dbraw/zinc/07/46/75/1073074675.db2.gz OWKMLBFAGQPAGP-UHFFFAOYSA-N 1 0 392.481 -0.289 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659685894 1073074271 /nfs/dbraw/zinc/07/42/71/1073074271.db2.gz VMTXIVOLXHMEMD-UHFFFAOYSA-N 1 0 382.486 -0.059 20 0 GBADRO C[NH+]1CCC(CNC(=O)C(=O)NCc2cccc(N)c2)(N2CCOCC2)CC1 ZINC000659685914 1073074347 /nfs/dbraw/zinc/07/43/47/1073074347.db2.gz VUASWWTXHAGYLZ-UHFFFAOYSA-N 1 0 389.500 -0.202 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686236 1073074293 /nfs/dbraw/zinc/07/42/93/1073074293.db2.gz CUVPPKDCXPPWKR-HNNXBMFYSA-N 1 0 376.505 -0.096 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686239 1073074238 /nfs/dbraw/zinc/07/42/38/1073074238.db2.gz CUVPPKDCXPPWKR-OAHLLOKOSA-N 1 0 376.505 -0.096 20 0 GBADRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659686290 1073074321 /nfs/dbraw/zinc/07/43/21/1073074321.db2.gz YOLDMUDXQZSKSF-ZDUSSCGKSA-N 1 0 382.486 -0.142 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC[C@H]1F ZINC000659686387 1073074656 /nfs/dbraw/zinc/07/46/56/1073074656.db2.gz USKMRQRMBZNKQY-HUUCEWRRSA-N 1 0 398.460 -0.260 20 0 GBADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659686419 1073074281 /nfs/dbraw/zinc/07/42/81/1073074281.db2.gz YVZZACCRAOCWRE-LERXQTSPSA-N 1 0 386.449 -0.330 20 0 GBADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659686421 1073074731 /nfs/dbraw/zinc/07/47/31/1073074731.db2.gz YVZZACCRAOCWRE-ZLKJLUDKSA-N 1 0 386.449 -0.330 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686506 1073074424 /nfs/dbraw/zinc/07/44/24/1073074424.db2.gz ZTVUOQCXPHBLBY-UHFFFAOYSA-N 1 0 380.470 -0.497 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000659686524 1073074858 /nfs/dbraw/zinc/07/48/58/1073074858.db2.gz DVYOTRMOWKTMHI-HNNXBMFYSA-N 1 0 378.473 -0.262 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000659686525 1073074831 /nfs/dbraw/zinc/07/48/31/1073074831.db2.gz DVYOTRMOWKTMHI-OAHLLOKOSA-N 1 0 378.473 -0.262 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659686565 1073074362 /nfs/dbraw/zinc/07/43/62/1073074362.db2.gz GSAXSNYZKVMACB-ARFHVFGLSA-N 1 0 392.479 -0.394 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659686566 1073074559 /nfs/dbraw/zinc/07/45/59/1073074559.db2.gz GSAXSNYZKVMACB-BZUAXINKSA-N 1 0 392.479 -0.394 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000659686588 530150838 /nfs/dbraw/zinc/15/08/38/530150838.db2.gz HDMZKXBGHMXIDU-JTQLQIEISA-N 1 0 376.866 -0.541 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000659686589 530150471 /nfs/dbraw/zinc/15/04/71/530150471.db2.gz HDMZKXBGHMXIDU-SNVBAGLBSA-N 1 0 376.866 -0.541 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000659686602 530150705 /nfs/dbraw/zinc/15/07/05/530150705.db2.gz HSTSOCXYURMXNZ-UHFFFAOYSA-N 1 0 390.893 -0.070 20 0 GBADRO O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686635 1073074413 /nfs/dbraw/zinc/07/44/13/1073074413.db2.gz VVYLYTKZYYXKNQ-UHFFFAOYSA-N 1 0 392.481 -0.289 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686881 1073075202 /nfs/dbraw/zinc/07/52/02/1073075202.db2.gz MJRFBBMNIRDEPL-LSWWBPAMSA-N 1 0 386.500 -0.342 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659686882 1073075618 /nfs/dbraw/zinc/07/56/18/1073075618.db2.gz MJRFBBMNIRDEPL-SHPPYHEDSA-N 1 0 386.500 -0.342 20 0 GBADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686884 1073075250 /nfs/dbraw/zinc/07/52/50/1073075250.db2.gz MNSAPLZSMWHYRB-LSWWBPAMSA-N 1 0 386.500 -0.424 20 0 GBADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686885 1073075528 /nfs/dbraw/zinc/07/55/28/1073075528.db2.gz MNSAPLZSMWHYRB-SHPPYHEDSA-N 1 0 386.500 -0.424 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000659686891 1073075652 /nfs/dbraw/zinc/07/56/52/1073075652.db2.gz MTRHOPQOSDWQKJ-HNNXBMFYSA-N 1 0 378.473 -0.262 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000659686892 1073075589 /nfs/dbraw/zinc/07/55/89/1073075589.db2.gz MTRHOPQOSDWQKJ-OAHLLOKOSA-N 1 0 378.473 -0.262 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000659686956 1073075215 /nfs/dbraw/zinc/07/52/15/1073075215.db2.gz AEZNHMPNUKJCJF-UHFFFAOYSA-N 1 0 381.477 -0.057 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])s1 ZINC000659686969 530150513 /nfs/dbraw/zinc/15/05/13/530150513.db2.gz AQIVGIYOAUCXDJ-UHFFFAOYSA-N 1 0 376.504 -0.353 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000659687005 1073075646 /nfs/dbraw/zinc/07/56/46/1073075646.db2.gz BXYWSLJFFZYAMR-KGLIPLIRSA-N 1 0 382.486 -0.333 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659687052 1073075326 /nfs/dbraw/zinc/07/53/26/1073075326.db2.gz POGCJDJBOGQYME-AWEZNQCLSA-N 1 0 398.423 -0.431 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659687053 1073075308 /nfs/dbraw/zinc/07/53/08/1073075308.db2.gz POGCJDJBOGQYME-CQSZACIVSA-N 1 0 398.423 -0.431 20 0 GBADRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000659687127 1073075744 /nfs/dbraw/zinc/07/57/44/1073075744.db2.gz RKZUGOMENFBHAE-UHFFFAOYSA-N 1 0 378.473 -0.179 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCCC1 ZINC000659687164 1073074810 /nfs/dbraw/zinc/07/48/10/1073074810.db2.gz DZUCFLRRFJVTGX-UHFFFAOYSA-N 1 0 389.504 -0.507 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000659687206 530150865 /nfs/dbraw/zinc/15/08/65/530150865.db2.gz GPRAMEQIJRNAJJ-GFCCVEGCSA-N 1 0 390.531 -0.059 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659687245 1073075630 /nfs/dbraw/zinc/07/56/30/1073075630.db2.gz HWIYZLASJMQECI-UHFFFAOYSA-N 1 0 391.472 -0.384 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1F ZINC000659687247 1073075039 /nfs/dbraw/zinc/07/50/39/1073075039.db2.gz ICEAFGXRUMXPQS-CHWSQXEVSA-N 1 0 397.451 -0.355 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000659687518 1073074929 /nfs/dbraw/zinc/07/49/29/1073074929.db2.gz KUINIKGTQZJQHU-UHFFFAOYSA-N 1 0 377.493 -0.699 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC2([NH3+])CCCC2)s1 ZINC000659687785 530150674 /nfs/dbraw/zinc/15/06/74/530150674.db2.gz MXKRZKKXHRIIHF-UHFFFAOYSA-N 1 0 388.515 -0.161 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000659687849 1073075573 /nfs/dbraw/zinc/07/55/73/1073075573.db2.gz PPJKRRLRWJCFAS-UHFFFAOYSA-N 1 0 387.488 -0.945 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000659688009 1073075345 /nfs/dbraw/zinc/07/53/45/1073075345.db2.gz SDYFDAXXXWZTBF-UHFFFAOYSA-N 1 0 391.472 -0.303 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC[C@H]1F ZINC000659688031 1073075437 /nfs/dbraw/zinc/07/54/37/1073075437.db2.gz TUIBMZFBWAVEFB-HUUCEWRRSA-N 1 0 393.467 -0.997 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)s1 ZINC000659688050 530150796 /nfs/dbraw/zinc/15/07/96/530150796.db2.gz UJDPIFIWVPZTMJ-UHFFFAOYSA-N 1 0 386.499 -0.681 20 0 GBADRO O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659688185 1073075799 /nfs/dbraw/zinc/07/57/99/1073075799.db2.gz MJHCYPBRPNPLJW-KRWDZBQOSA-N 1 0 380.489 -0.900 20 0 GBADRO O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659688186 1073075190 /nfs/dbraw/zinc/07/51/90/1073075190.db2.gz MJHCYPBRPNPLJW-QGZVFWFLSA-N 1 0 380.489 -0.900 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CC[C@H]1F ZINC000659688222 1073075107 /nfs/dbraw/zinc/07/51/07/1073075107.db2.gz QTYUPZKYPHAQNG-RKDXNWHRSA-N 1 0 378.330 -0.079 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000659688287 1073075373 /nfs/dbraw/zinc/07/53/73/1073075373.db2.gz XANZEHUHPSCCPD-MRXNPFEDSA-N 1 0 391.520 -0.406 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000659688399 530150896 /nfs/dbraw/zinc/15/08/96/530150896.db2.gz YSDNBLACONFJKZ-UHFFFAOYSA-N 1 0 386.499 -0.599 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)s1 ZINC000659688400 530150765 /nfs/dbraw/zinc/15/07/65/530150765.db2.gz YSQDYTBVNNZKHG-GHMZBOCLSA-N 1 0 392.478 -0.651 20 0 GBADRO CN1CCO[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C[C@@H]21 ZINC000659688957 1073075237 /nfs/dbraw/zinc/07/52/37/1073075237.db2.gz LLCXFLBNPNXAKA-DLBZAZTESA-N 1 0 380.489 -0.901 20 0 GBADRO O=C(C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659688968 1073075548 /nfs/dbraw/zinc/07/55/48/1073075548.db2.gz NYMWSJUYGAWHMP-MSOLQXFVSA-N 1 0 395.500 -0.036 20 0 GBADRO O=C(C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659688969 1073075697 /nfs/dbraw/zinc/07/56/97/1073075697.db2.gz 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[NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000659697825 1073076796 /nfs/dbraw/zinc/07/67/96/1073076796.db2.gz FQNXAFNWMUXRKT-DFBGVHRSSA-N 1 0 375.429 -0.279 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000659697826 1073076558 /nfs/dbraw/zinc/07/65/58/1073076558.db2.gz FQNXAFNWMUXRKT-GLQYFDAESA-N 1 0 375.429 -0.279 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000659697827 1073076769 /nfs/dbraw/zinc/07/67/69/1073076769.db2.gz FQNXAFNWMUXRKT-KCPJHIHWSA-N 1 0 375.429 -0.279 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000659697828 1073076155 /nfs/dbraw/zinc/07/61/55/1073076155.db2.gz FQNXAFNWMUXRKT-NILFDRSVSA-N 1 0 375.429 -0.279 20 0 GBADRO O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659698198 1073076365 /nfs/dbraw/zinc/07/63/65/1073076365.db2.gz APFHRJQURLRVGN-UHFFFAOYSA-N 1 0 389.475 -0.068 20 0 GBADRO CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659698557 1073076047 /nfs/dbraw/zinc/07/60/47/1073076047.db2.gz TYIUEYVRLWTOHD-UHFFFAOYSA-N 1 0 399.495 -0.079 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC[C@H]1F ZINC000659698665 1073077248 /nfs/dbraw/zinc/07/72/48/1073077248.db2.gz HGHXYKQMMIBTPX-IAGOWNOFSA-N 1 0 395.454 -0.038 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCCN2CCc3ccccc32)n1 ZINC000659698829 1073079345 /nfs/dbraw/zinc/07/93/45/1073079345.db2.gz PXDBSQLURYEFFS-UHFFFAOYSA-N 1 0 384.440 -0.174 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cccc(N)c1 ZINC000659699150 1073078906 /nfs/dbraw/zinc/07/89/06/1073078906.db2.gz LUONJYWIRPKAMM-INIZCTEOSA-N 1 0 375.473 -0.056 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cccc(N)c1 ZINC000659699152 1073078851 /nfs/dbraw/zinc/07/88/51/1073078851.db2.gz LUONJYWIRPKAMM-MRXNPFEDSA-N 1 0 375.473 -0.056 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659699182 1073078941 /nfs/dbraw/zinc/07/89/41/1073078941.db2.gz MKMQAVWNTBHDSH-INIZCTEOSA-N 1 0 393.532 -0.449 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659699184 1073079231 /nfs/dbraw/zinc/07/92/31/1073079231.db2.gz MKMQAVWNTBHDSH-MRXNPFEDSA-N 1 0 393.532 -0.449 20 0 GBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000659699267 1073079024 /nfs/dbraw/zinc/07/90/24/1073079024.db2.gz UZRSEOXOFAWHGZ-OCCSQVGLSA-N 1 0 382.486 -0.203 20 0 GBADRO CN(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659699284 1073079361 /nfs/dbraw/zinc/07/93/61/1073079361.db2.gz VJVUTFXWWUAWJQ-GFCCVEGCSA-N 1 0 378.458 -0.262 20 0 GBADRO CN(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659699285 1073078929 /nfs/dbraw/zinc/07/89/29/1073078929.db2.gz VJVUTFXWWUAWJQ-LBPRGKRZSA-N 1 0 378.458 -0.262 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699830 1073079147 /nfs/dbraw/zinc/07/91/47/1073079147.db2.gz VANFOQOCFDOCKF-INIZCTEOSA-N 1 0 393.532 -0.449 20 0 GBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699831 1073079289 /nfs/dbraw/zinc/07/92/89/1073079289.db2.gz VANFOQOCFDOCKF-MRXNPFEDSA-N 1 0 393.532 -0.449 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC[C@H]1F ZINC000659700036 1073079160 /nfs/dbraw/zinc/07/91/60/1073079160.db2.gz YCPGCHWKLWXETB-IAGOWNOFSA-N 1 0 377.464 -0.178 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659701049 1073078819 /nfs/dbraw/zinc/07/88/19/1073078819.db2.gz COBSIYKONMCEHR-DLGFLZQMSA-N 1 0 380.470 -0.278 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659701052 1073078953 /nfs/dbraw/zinc/07/89/53/1073078953.db2.gz COBSIYKONMCEHR-ZBFVHZJFSA-N 1 0 380.470 -0.278 20 0 GBADRO COc1ccc(O[C@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659701056 1073079197 /nfs/dbraw/zinc/07/91/97/1073079197.db2.gz CPJUHPUEPBDTNS-LLVKDONJSA-N 1 0 389.412 -0.151 20 0 GBADRO COc1ccc(O[C@@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659701058 1073079013 /nfs/dbraw/zinc/07/90/13/1073079013.db2.gz CPJUHPUEPBDTNS-NSHDSACASA-N 1 0 389.412 -0.151 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659701103 1073079208 /nfs/dbraw/zinc/07/92/08/1073079208.db2.gz DHDWYLZPEVUVES-LERXQTSPSA-N 1 0 386.449 -0.330 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659701104 1073079261 /nfs/dbraw/zinc/07/92/61/1073079261.db2.gz DHDWYLZPEVUVES-ZLKJLUDKSA-N 1 0 386.449 -0.330 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1cccc(F)c1 ZINC000659701445 1073079276 /nfs/dbraw/zinc/07/92/76/1073079276.db2.gz DZOJDWZOGBHKAM-JTQLQIEISA-N 1 0 377.376 -0.020 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1cccc(F)c1 ZINC000659701446 1073078799 /nfs/dbraw/zinc/07/87/99/1073078799.db2.gz DZOJDWZOGBHKAM-SNVBAGLBSA-N 1 0 377.376 -0.020 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000659701830 1073080357 /nfs/dbraw/zinc/08/03/57/1073080357.db2.gz JXMULZUYVXUCHF-TZMCWYRMSA-N 1 0 383.399 -0.429 20 0 GBADRO C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000659702058 1073079432 /nfs/dbraw/zinc/07/94/32/1073079432.db2.gz NALBCNMVAKCHQL-WHENESEISA-N 1 0 394.497 -0.018 20 0 GBADRO C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000659702062 1073079093 /nfs/dbraw/zinc/07/90/93/1073079093.db2.gz NALBCNMVAKCHQL-ZVLZOBCMSA-N 1 0 394.497 -0.018 20 0 GBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659702072 1073079325 /nfs/dbraw/zinc/07/93/25/1073079325.db2.gz NLMDGOIWRFBUMI-ZBFHGGJFSA-N 1 0 381.521 -0.321 20 0 GBADRO COc1ccccc1O[C@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702167 1073079418 /nfs/dbraw/zinc/07/94/18/1073079418.db2.gz OMWKEPUYJOXOQZ-LLVKDONJSA-N 1 0 389.412 -0.151 20 0 GBADRO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702168 1073079443 /nfs/dbraw/zinc/07/94/43/1073079443.db2.gz OMWKEPUYJOXOQZ-NSHDSACASA-N 1 0 389.412 -0.151 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1ccc(F)cc1 ZINC000659702171 1073079001 /nfs/dbraw/zinc/07/90/01/1073079001.db2.gz LMCIWFFJTSXHJR-JTQLQIEISA-N 1 0 377.376 -0.020 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1ccc(F)cc1 ZINC000659702174 1073079218 /nfs/dbraw/zinc/07/92/18/1073079218.db2.gz LMCIWFFJTSXHJR-SNVBAGLBSA-N 1 0 377.376 -0.020 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000659702346 1073078961 /nfs/dbraw/zinc/07/89/61/1073078961.db2.gz QKRNLNDYKCOGTE-BHYGNILZSA-N 1 0 387.484 -0.574 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000659702347 1073079252 /nfs/dbraw/zinc/07/92/52/1073079252.db2.gz QKRNLNDYKCOGTE-HYVNUMGLSA-N 1 0 387.484 -0.574 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000659702348 1073079438 /nfs/dbraw/zinc/07/94/38/1073079438.db2.gz QKRNLNDYKCOGTE-PVAVHDDUSA-N 1 0 387.484 -0.574 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000659702349 1073079140 /nfs/dbraw/zinc/07/91/40/1073079140.db2.gz QKRNLNDYKCOGTE-XIRDDKMYSA-N 1 0 387.484 -0.574 20 0 GBADRO COc1ccccc1OCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659702434 1073079312 /nfs/dbraw/zinc/07/93/12/1073079312.db2.gz SDKKEMQCBILNSJ-UHFFFAOYSA-N 1 0 375.385 -0.539 20 0 GBADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659703001 1073080319 /nfs/dbraw/zinc/08/03/19/1073080319.db2.gz ZLNLSLLHRCWRGX-DLGFLZQMSA-N 1 0 380.470 -0.360 20 0 GBADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659703003 1073080088 /nfs/dbraw/zinc/08/00/88/1073080088.db2.gz ZLNLSLLHRCWRGX-ZBFVHZJFSA-N 1 0 380.470 -0.360 20 0 GBADRO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659703039 1073080048 /nfs/dbraw/zinc/08/00/48/1073080048.db2.gz VUJQSCRBXNVGNV-UHFFFAOYSA-N 1 0 377.420 -0.458 20 0 GBADRO C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1ccccc1F ZINC000659703230 1073079827 /nfs/dbraw/zinc/07/98/27/1073079827.db2.gz XVEFOQMPSMVFLQ-JTQLQIEISA-N 1 0 377.376 -0.020 20 0 GBADRO C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Oc1ccccc1F ZINC000659703231 1073080266 /nfs/dbraw/zinc/08/02/66/1073080266.db2.gz XVEFOQMPSMVFLQ-SNVBAGLBSA-N 1 0 377.376 -0.020 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000659703243 1073080245 /nfs/dbraw/zinc/08/02/45/1073080245.db2.gz YQRNBDOJMMDSDI-UHFFFAOYSA-N 1 0 377.420 -0.377 20 0 GBADRO COc1cccc(O[C@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659703368 1073080214 /nfs/dbraw/zinc/08/02/14/1073080214.db2.gz ZZRJIHDJOFXXLW-LLVKDONJSA-N 1 0 389.412 -0.151 20 0 GBADRO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 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ZINC000659704018 1073079850 /nfs/dbraw/zinc/07/98/50/1073079850.db2.gz HHFGDIKHDSUCHC-HZSPNIEDSA-N 1 0 376.461 -0.383 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[C@H](C[NH3+])C1 ZINC000659704019 1073079956 /nfs/dbraw/zinc/07/99/56/1073079956.db2.gz HHFGDIKHDSUCHC-RDBSUJKOSA-N 1 0 376.461 -0.383 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C[NH3+])C1 ZINC000659704423 530150853 /nfs/dbraw/zinc/15/08/53/530150853.db2.gz PFGKVBYQOUTDJJ-OLZOCXBDSA-N 1 0 392.547 -0.933 20 0 GBADRO COc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1F ZINC000659704552 1073079703 /nfs/dbraw/zinc/07/97/03/1073079703.db2.gz OTBPMRSIVHXBDI-UHFFFAOYSA-N 1 0 377.376 -0.236 20 0 GBADRO COc1ccccc1OCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659704781 1073078291 /nfs/dbraw/zinc/07/82/91/1073078291.db2.gz QEWOJWQTIIHMHV-UHFFFAOYSA-N 1 0 389.412 -0.149 20 0 GBADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2 ZINC000659705080 1073078372 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O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659712762 1073081360 /nfs/dbraw/zinc/08/13/60/1073081360.db2.gz KVSBRHGNOLTLKU-HRCADAONSA-N 1 0 384.436 -0.502 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659712763 1073081752 /nfs/dbraw/zinc/08/17/52/1073081752.db2.gz KVSBRHGNOLTLKU-OAGGEKHMSA-N 1 0 384.436 -0.502 20 0 GBADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659712906 1073081453 /nfs/dbraw/zinc/08/14/53/1073081453.db2.gz HDCGTPFCYFHXSX-YESZJQIVSA-N 1 0 398.463 -0.112 20 0 GBADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659712907 1073081354 /nfs/dbraw/zinc/08/13/54/1073081354.db2.gz HDCGTPFCYFHXSX-ZACQAIPSSA-N 1 0 398.463 -0.112 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)nn1 ZINC000659713118 1073081216 /nfs/dbraw/zinc/08/12/16/1073081216.db2.gz DFLNOOVIOONSOP-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)nn1 ZINC000659713120 1073081405 /nfs/dbraw/zinc/08/14/05/1073081405.db2.gz DFLNOOVIOONSOP-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000659713492 1073081411 /nfs/dbraw/zinc/08/14/11/1073081411.db2.gz QLACNMFHWWTDAO-AWEZNQCLSA-N 1 0 376.461 -0.360 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000659713493 1073081603 /nfs/dbraw/zinc/08/16/03/1073081603.db2.gz QLACNMFHWWTDAO-CQSZACIVSA-N 1 0 376.461 -0.360 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)nn1 ZINC000659713629 1073081654 /nfs/dbraw/zinc/08/16/54/1073081654.db2.gz GRRJXYFIEALYST-AWEZNQCLSA-N 1 0 376.461 -0.360 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)nn1 ZINC000659713631 1073081226 /nfs/dbraw/zinc/08/12/26/1073081226.db2.gz GRRJXYFIEALYST-CQSZACIVSA-N 1 0 376.461 -0.360 20 0 GBADRO CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659713788 1073081532 /nfs/dbraw/zinc/08/15/32/1073081532.db2.gz QXESCKRGVNHENX-IYBDPMFKSA-N 1 0 386.452 -0.254 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)nn1 ZINC000659713997 1073081677 /nfs/dbraw/zinc/08/16/77/1073081677.db2.gz IGUNDUNFFVNKKQ-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)nn1 ZINC000659713998 1073081366 /nfs/dbraw/zinc/08/13/66/1073081366.db2.gz IGUNDUNFFVNKKQ-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000659714224 1073081490 /nfs/dbraw/zinc/08/14/90/1073081490.db2.gz JNMBEQWVIYDGLX-GFCCVEGCSA-N 1 0 394.394 -0.459 20 0 GBADRO O=C(CNC(=O)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000659714226 1073081730 /nfs/dbraw/zinc/08/17/30/1073081730.db2.gz JNMBEQWVIYDGLX-LBPRGKRZSA-N 1 0 394.394 -0.459 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)nn1 ZINC000659714420 1073081239 /nfs/dbraw/zinc/08/12/39/1073081239.db2.gz NFEQCBZBMLUDQX-KBPBESRZSA-N 1 0 376.461 -0.090 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)nn1 ZINC000659714421 1073081431 /nfs/dbraw/zinc/08/14/31/1073081431.db2.gz NFEQCBZBMLUDQX-KGLIPLIRSA-N 1 0 376.461 -0.090 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)nn1 ZINC000659714422 1073081556 /nfs/dbraw/zinc/08/15/56/1073081556.db2.gz NFEQCBZBMLUDQX-UONOGXRCSA-N 1 0 376.461 -0.090 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)nn1 ZINC000659714423 1073081526 /nfs/dbraw/zinc/08/15/26/1073081526.db2.gz NFEQCBZBMLUDQX-ZIAGYGMSSA-N 1 0 376.461 -0.090 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cc(F)ccc1OC(F)F)N1CC[NH2+]CC1 ZINC000659714653 1073081417 /nfs/dbraw/zinc/08/14/17/1073081417.db2.gz KWDLYAPFJVWFIT-UHFFFAOYSA-N 1 0 388.346 -0.409 20 0 GBADRO COC[C@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000659714654 1073081764 /nfs/dbraw/zinc/08/17/64/1073081764.db2.gz KYMWZPLBYBJNSI-HNNXBMFYSA-N 1 0 378.429 -0.953 20 0 GBADRO COC[C@@H](NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000659714655 1073081841 /nfs/dbraw/zinc/08/18/41/1073081841.db2.gz KYMWZPLBYBJNSI-OAHLLOKOSA-N 1 0 378.429 -0.953 20 0 GBADRO O=C(CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2)N1CC[NH2+]CC1 ZINC000659714976 1073081809 /nfs/dbraw/zinc/08/18/09/1073081809.db2.gz NJIMSGNNAZLNPW-UHFFFAOYSA-N 1 0 384.339 -0.828 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000659715430 530150566 /nfs/dbraw/zinc/15/05/66/530150566.db2.gz UWZWFUVNOQQHLJ-GMTAPVOTSA-N 1 0 385.408 -0.321 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000659715433 530150646 /nfs/dbraw/zinc/15/06/46/530150646.db2.gz UWZWFUVNOQQHLJ-HBNTYKKESA-N 1 0 385.408 -0.321 20 0 GBADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659715593 1073081333 /nfs/dbraw/zinc/08/13/33/1073081333.db2.gz XMCFZELDELBHQJ-YESZJQIVSA-N 1 0 398.463 -0.112 20 0 GBADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659715600 1073081716 /nfs/dbraw/zinc/08/17/16/1073081716.db2.gz XMCFZELDELBHQJ-ZACQAIPSSA-N 1 0 398.463 -0.112 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000659715792 1073080366 /nfs/dbraw/zinc/08/03/66/1073080366.db2.gz QNAGBTBQDQVKEG-BJDJZHNGSA-N 1 0 399.435 -0.075 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@H]1CCC[NH2+]C1 ZINC000659715793 1073079724 /nfs/dbraw/zinc/07/97/24/1073079724.db2.gz QNAGBTBQDQVKEG-RHYQMDGZSA-N 1 0 399.435 -0.075 20 0 GBADRO C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000659715794 1073080257 /nfs/dbraw/zinc/08/02/57/1073080257.db2.gz QNAGBTBQDQVKEG-USZNOCQGSA-N 1 0 399.435 -0.075 20 0 GBADRO C[C@@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000659715795 1073079876 /nfs/dbraw/zinc/07/98/76/1073079876.db2.gz QNAGBTBQDQVKEG-WYUUTHIRSA-N 1 0 399.435 -0.075 20 0 GBADRO [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000659715869 1073079948 /nfs/dbraw/zinc/07/99/48/1073079948.db2.gz SILITLMYQGNTHS-OWCLPIDISA-N 1 0 384.436 -0.517 20 0 GBADRO [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000659715872 1073079615 /nfs/dbraw/zinc/07/96/15/1073079615.db2.gz SILITLMYQGNTHS-XHSDSOJGSA-N 1 0 384.436 -0.517 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000659715978 530150810 /nfs/dbraw/zinc/15/08/10/530150810.db2.gz SEZMBFRZBKEHPI-GWOFURMSSA-N 1 0 385.408 -0.194 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000659715979 530150805 /nfs/dbraw/zinc/15/08/05/530150805.db2.gz SEZMBFRZBKEHPI-LMLFDSFASA-N 1 0 385.408 -0.194 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000659715980 530150669 /nfs/dbraw/zinc/15/06/69/530150669.db2.gz SEZMBFRZBKEHPI-LNFKQOIKSA-N 1 0 385.408 -0.194 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000659715981 530150709 /nfs/dbraw/zinc/15/07/09/530150709.db2.gz SEZMBFRZBKEHPI-UKKRHICBSA-N 1 0 385.408 -0.194 20 0 GBADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659716132 1073080350 /nfs/dbraw/zinc/08/03/50/1073080350.db2.gz WHYSRGOIJCFKFR-YESZJQIVSA-N 1 0 398.463 -0.254 20 0 GBADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659716133 1073080308 /nfs/dbraw/zinc/08/03/08/1073080308.db2.gz WHYSRGOIJCFKFR-ZACQAIPSSA-N 1 0 398.463 -0.254 20 0 GBADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659716581 1073079669 /nfs/dbraw/zinc/07/96/69/1073079669.db2.gz BIDSVQSBDMVVPZ-OWCLPIDISA-N 1 0 386.452 -0.271 20 0 GBADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659716584 1073079966 /nfs/dbraw/zinc/07/99/66/1073079966.db2.gz BIDSVQSBDMVVPZ-XHSDSOJGSA-N 1 0 386.452 -0.271 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)nn1 ZINC000659716789 1073079753 /nfs/dbraw/zinc/07/97/53/1073079753.db2.gz XYGNAFUUONSSID-UHFFFAOYSA-N 1 0 376.461 -0.090 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H]1C(F)(F)F ZINC000659717066 530150662 /nfs/dbraw/zinc/15/06/62/530150662.db2.gz ZLGBOUKKEBWMQI-GMTAPVOTSA-N 1 0 385.408 -0.321 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H]1C(F)(F)F ZINC000659717067 530150574 /nfs/dbraw/zinc/15/05/74/530150574.db2.gz ZLGBOUKKEBWMQI-HBNTYKKESA-N 1 0 385.408 -0.321 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717496 1073080106 /nfs/dbraw/zinc/08/01/06/1073080106.db2.gz HZQVWZMQBWROLQ-CAOSSQGBSA-N 1 0 394.516 -0.025 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717497 1073079561 /nfs/dbraw/zinc/07/95/61/1073079561.db2.gz HZQVWZMQBWROLQ-KLHDSHLOSA-N 1 0 394.516 -0.025 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717498 1073080286 /nfs/dbraw/zinc/08/02/86/1073080286.db2.gz HZQVWZMQBWROLQ-QKPAOTATSA-N 1 0 394.516 -0.025 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659717499 1073079766 /nfs/dbraw/zinc/07/97/66/1073079766.db2.gz HZQVWZMQBWROLQ-ZJIFWQFVSA-N 1 0 394.516 -0.025 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717523 1073079898 /nfs/dbraw/zinc/07/98/98/1073079898.db2.gz IHSSIZCTWUGQLH-GDBMZVCRSA-N 1 0 382.505 -0.214 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717524 1073080061 /nfs/dbraw/zinc/08/00/61/1073080061.db2.gz IHSSIZCTWUGQLH-GOEBONIOSA-N 1 0 382.505 -0.214 20 0 GBADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717525 1073079646 /nfs/dbraw/zinc/07/96/46/1073079646.db2.gz IHSSIZCTWUGQLH-HOCLYGCPSA-N 1 0 382.505 -0.214 20 0 GBADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659717526 1073080328 /nfs/dbraw/zinc/08/03/28/1073080328.db2.gz IHSSIZCTWUGQLH-ZBFHGGJFSA-N 1 0 382.505 -0.214 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C[C@H]21 ZINC000659718446 1073079975 /nfs/dbraw/zinc/07/99/75/1073079975.db2.gz PDNXTHMVPVAAOT-XQLPTFJDSA-N 1 0 387.502 -0.719 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C[C@H]21 ZINC000659718447 1073079996 /nfs/dbraw/zinc/07/99/96/1073079996.db2.gz PDNXTHMVPVAAOT-YJNKXOJESA-N 1 0 387.502 -0.719 20 0 GBADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659718600 530150833 /nfs/dbraw/zinc/15/08/33/530150833.db2.gz QCUJOZYDUNIBLX-DCAQKATOSA-N 1 0 387.424 -0.090 20 0 GBADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659718601 530150819 /nfs/dbraw/zinc/15/08/19/530150819.db2.gz QCUJOZYDUNIBLX-VWYCJHECSA-N 1 0 387.424 -0.090 20 0 GBADRO [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000659718992 1073080147 /nfs/dbraw/zinc/08/01/47/1073080147.db2.gz DLDBNNCVQRRPKD-OWCLPIDISA-N 1 0 384.436 -0.517 20 0 GBADRO [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000659718993 1073080722 /nfs/dbraw/zinc/08/07/22/1073080722.db2.gz DLDBNNCVQRRPKD-XHSDSOJGSA-N 1 0 384.436 -0.517 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC1 ZINC000659720360 1073081667 /nfs/dbraw/zinc/08/16/67/1073081667.db2.gz CJQQEMNCZSRXAB-GASCZTMLSA-N 1 0 384.436 -0.372 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000659720575 1073084993 /nfs/dbraw/zinc/08/49/93/1073084993.db2.gz QIELNNBBBQDSTN-KRWDZBQOSA-N 1 0 391.516 -0.552 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000659720576 1073085392 /nfs/dbraw/zinc/08/53/92/1073085392.db2.gz QIELNNBBBQDSTN-QGZVFWFLSA-N 1 0 391.516 -0.552 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659720598 530150752 /nfs/dbraw/zinc/15/07/52/530150752.db2.gz VAPVZVKLTJPLBL-KBPBESRZSA-N 1 0 375.491 -0.657 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659720601 530150650 /nfs/dbraw/zinc/15/06/50/530150650.db2.gz VAPVZVKLTJPLBL-KGLIPLIRSA-N 1 0 375.491 -0.657 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659720603 530150701 /nfs/dbraw/zinc/15/07/01/530150701.db2.gz VAPVZVKLTJPLBL-UONOGXRCSA-N 1 0 375.491 -0.657 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659720607 530150620 /nfs/dbraw/zinc/15/06/20/530150620.db2.gz VAPVZVKLTJPLBL-ZIAGYGMSSA-N 1 0 375.491 -0.657 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)nn1 ZINC000659720787 1073081437 /nfs/dbraw/zinc/08/14/37/1073081437.db2.gz FDNKHKNPZTUBAX-KBPBESRZSA-N 1 0 376.461 -0.219 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)nn1 ZINC000659720793 1073081291 /nfs/dbraw/zinc/08/12/91/1073081291.db2.gz FDNKHKNPZTUBAX-KGLIPLIRSA-N 1 0 376.461 -0.219 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nn1 ZINC000659720795 1073081548 /nfs/dbraw/zinc/08/15/48/1073081548.db2.gz FDNKHKNPZTUBAX-UONOGXRCSA-N 1 0 376.461 -0.219 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)nn1 ZINC000659720796 1073082556 /nfs/dbraw/zinc/08/25/56/1073082556.db2.gz FDNKHKNPZTUBAX-ZIAGYGMSSA-N 1 0 376.461 -0.219 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)C[C@H]21 ZINC000659721157 1073081507 /nfs/dbraw/zinc/08/15/07/1073081507.db2.gz HBHNBZPRDZMBKE-XHSDSOJGSA-N 1 0 393.465 -0.824 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)nn1 ZINC000659721354 1073081321 /nfs/dbraw/zinc/08/13/21/1073081321.db2.gz HUPCYNPQBGXDFJ-KBPBESRZSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)nn1 ZINC000659721355 1073081539 /nfs/dbraw/zinc/08/15/39/1073081539.db2.gz HUPCYNPQBGXDFJ-KGLIPLIRSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)nn1 ZINC000659721356 1073081339 /nfs/dbraw/zinc/08/13/39/1073081339.db2.gz HUPCYNPQBGXDFJ-UONOGXRCSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)nn1 ZINC000659721357 1073081799 /nfs/dbraw/zinc/08/17/99/1073081799.db2.gz HUPCYNPQBGXDFJ-ZIAGYGMSSA-N 1 0 376.461 -0.362 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc([C@@H](C)[NH3+])cc3)C[C@H]21 ZINC000659721997 1073082335 /nfs/dbraw/zinc/08/23/35/1073082335.db2.gz DOWYNMYMCUPSRL-CAPXZKIUSA-N 1 0 395.481 -0.407 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc([C@H](C)[NH3+])cc3)C[C@H]21 ZINC000659722010 1073082585 /nfs/dbraw/zinc/08/25/85/1073082585.db2.gz DOWYNMYMCUPSRL-KSYCFECVSA-N 1 0 395.481 -0.407 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000659722103 1073082321 /nfs/dbraw/zinc/08/23/21/1073082321.db2.gz MKMACPKVVJZMLM-DZUCGIPZSA-N 1 0 398.463 -0.113 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000659722105 1073082665 /nfs/dbraw/zinc/08/26/65/1073082665.db2.gz MKMACPKVVJZMLM-PQEBFOHHSA-N 1 0 398.463 -0.113 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000659722106 1073082680 /nfs/dbraw/zinc/08/26/80/1073082680.db2.gz MKMACPKVVJZMLM-QSPRXWTASA-N 1 0 398.463 -0.113 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000659722108 1073082196 /nfs/dbraw/zinc/08/21/96/1073082196.db2.gz MKMACPKVVJZMLM-XBVQOTNRSA-N 1 0 398.463 -0.113 20 0 GBADRO O=C(NCCO[C@@H]1CC1(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659722323 1073082350 /nfs/dbraw/zinc/08/23/50/1073082350.db2.gz DJKJCNSVYQGLKG-NXEZZACHSA-N 1 0 388.337 -0.521 20 0 GBADRO O=C(NCCO[C@H]1CC1(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659722327 1073082535 /nfs/dbraw/zinc/08/25/35/1073082535.db2.gz DJKJCNSVYQGLKG-UWVGGRQHSA-N 1 0 388.337 -0.521 20 0 GBADRO O=C(NCCO[C@@H]1CC1(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659722328 1073082180 /nfs/dbraw/zinc/08/21/80/1073082180.db2.gz DJKJCNSVYQGLKG-VHSXEESVSA-N 1 0 388.337 -0.521 20 0 GBADRO O=C(NCCO[C@H]1CC1(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659722329 1073082507 /nfs/dbraw/zinc/08/25/07/1073082507.db2.gz DJKJCNSVYQGLKG-ZJUUUORDSA-N 1 0 388.337 -0.521 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)nn1 ZINC000659722445 1073082477 /nfs/dbraw/zinc/08/24/77/1073082477.db2.gz FGLMSIPGRMIPAS-UHFFFAOYSA-N 1 0 388.472 -0.050 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722567 1073082653 /nfs/dbraw/zinc/08/26/53/1073082653.db2.gz LYFUMXULEAEKQP-LLLHUVSDSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722568 1073082069 /nfs/dbraw/zinc/08/20/69/1073082069.db2.gz LYFUMXULEAEKQP-MXASKKJJSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722569 1073081967 /nfs/dbraw/zinc/08/19/67/1073081967.db2.gz LYFUMXULEAEKQP-QMCVQRASSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722571 1073082308 /nfs/dbraw/zinc/08/23/08/1073082308.db2.gz LYFUMXULEAEKQP-SIXLDLHFSA-N 1 0 398.463 -0.256 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)nn1 ZINC000659722669 1073082165 /nfs/dbraw/zinc/08/21/65/1073082165.db2.gz FUGGLWPQZZIWIS-AWEZNQCLSA-N 1 0 392.460 -0.981 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)nn1 ZINC000659722670 1073082596 /nfs/dbraw/zinc/08/25/96/1073082596.db2.gz FUGGLWPQZZIWIS-CQSZACIVSA-N 1 0 392.460 -0.981 20 0 GBADRO CO[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000659722680 1073082395 /nfs/dbraw/zinc/08/23/95/1073082395.db2.gz FXSPATXBLKFQAA-JHJVBQTASA-N 1 0 396.410 -0.894 20 0 GBADRO CO[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCOC1 ZINC000659722681 1073082483 /nfs/dbraw/zinc/08/24/83/1073082483.db2.gz FXSPATXBLKFQAA-UPJWGTAASA-N 1 0 396.410 -0.894 20 0 GBADRO CO[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000659722682 1073082843 /nfs/dbraw/zinc/08/28/43/1073082843.db2.gz FXSPATXBLKFQAA-XQQFMLRXSA-N 1 0 396.410 -0.894 20 0 GBADRO CO[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCOC1 ZINC000659722683 1073082690 /nfs/dbraw/zinc/08/26/90/1073082690.db2.gz FXSPATXBLKFQAA-YNEHKIRRSA-N 1 0 396.410 -0.894 20 0 GBADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722788 1073083560 /nfs/dbraw/zinc/08/35/60/1073083560.db2.gz PFJNMUUHWFBDJC-YESZJQIVSA-N 1 0 398.463 -0.112 20 0 GBADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659722791 1073083078 /nfs/dbraw/zinc/08/30/78/1073083078.db2.gz PFJNMUUHWFBDJC-ZACQAIPSSA-N 1 0 398.463 -0.112 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)nn1 ZINC000659722817 1073083183 /nfs/dbraw/zinc/08/31/83/1073083183.db2.gz PKEIOXSULGJFPJ-KBPBESRZSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)nn1 ZINC000659722819 1073083590 /nfs/dbraw/zinc/08/35/90/1073083590.db2.gz PKEIOXSULGJFPJ-KGLIPLIRSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)nn1 ZINC000659722822 1073083003 /nfs/dbraw/zinc/08/30/03/1073083003.db2.gz PKEIOXSULGJFPJ-UONOGXRCSA-N 1 0 376.461 -0.362 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)nn1 ZINC000659722824 1073083493 /nfs/dbraw/zinc/08/34/93/1073083493.db2.gz PKEIOXSULGJFPJ-ZIAGYGMSSA-N 1 0 376.461 -0.362 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723169 1073082280 /nfs/dbraw/zinc/08/22/80/1073082280.db2.gz IGMKBMAJOPCANO-HZSPNIEDSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723172 1073082251 /nfs/dbraw/zinc/08/22/51/1073082251.db2.gz IGMKBMAJOPCANO-MCIONIFRSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723175 1073082766 /nfs/dbraw/zinc/08/27/66/1073082766.db2.gz IGMKBMAJOPCANO-MGPQQGTHSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723178 1073082545 /nfs/dbraw/zinc/08/25/45/1073082545.db2.gz IGMKBMAJOPCANO-RDBSUJKOSA-N 1 0 394.438 -0.052 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000659723252 1073082384 /nfs/dbraw/zinc/08/23/84/1073082384.db2.gz ITLCIAHFQZHHJS-BBRMVZONSA-N 1 0 392.422 -0.298 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000659723255 1073082268 /nfs/dbraw/zinc/08/22/68/1073082268.db2.gz ITLCIAHFQZHHJS-CJNGLKHVSA-N 1 0 392.422 -0.298 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000659723258 1073081982 /nfs/dbraw/zinc/08/19/82/1073081982.db2.gz ITLCIAHFQZHHJS-CZUORRHYSA-N 1 0 392.422 -0.298 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000659723262 1073082370 /nfs/dbraw/zinc/08/23/70/1073082370.db2.gz ITLCIAHFQZHHJS-XJKSGUPXSA-N 1 0 392.422 -0.298 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000659723306 1073082361 /nfs/dbraw/zinc/08/23/61/1073082361.db2.gz PSDHFVVVYDEDTC-CYBMUJFWSA-N 1 0 378.429 -0.731 20 0 GBADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000659723309 1073082807 /nfs/dbraw/zinc/08/28/07/1073082807.db2.gz PSDHFVVVYDEDTC-ZDUSSCGKSA-N 1 0 378.429 -0.731 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659723576 1073082753 /nfs/dbraw/zinc/08/27/53/1073082753.db2.gz JRYHMIHHCZWIDV-CYBMUJFWSA-N 1 0 388.394 -0.604 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659723580 1073082295 /nfs/dbraw/zinc/08/22/95/1073082295.db2.gz JRYHMIHHCZWIDV-ZDUSSCGKSA-N 1 0 388.394 -0.604 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723664 1073083034 /nfs/dbraw/zinc/08/30/34/1073083034.db2.gz KFXHGRCURYHEQA-CYBMUJFWSA-N 1 0 378.395 -0.256 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659723670 1073083522 /nfs/dbraw/zinc/08/35/22/1073083522.db2.gz KFXHGRCURYHEQA-ZDUSSCGKSA-N 1 0 378.395 -0.256 20 0 GBADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659723896 1073083462 /nfs/dbraw/zinc/08/34/62/1073083462.db2.gz RVWWCDBRNMFJLY-CALCHBBNSA-N 1 0 396.447 -0.334 20 0 GBADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659724093 1073082968 /nfs/dbraw/zinc/08/29/68/1073082968.db2.gz VPOKHGVYNUAUFJ-LLLHUVSDSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659724098 1073083446 /nfs/dbraw/zinc/08/34/46/1073083446.db2.gz VPOKHGVYNUAUFJ-MXASKKJJSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659724103 1073083609 /nfs/dbraw/zinc/08/36/09/1073083609.db2.gz VPOKHGVYNUAUFJ-QMCVQRASSA-N 1 0 398.463 -0.256 20 0 GBADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659724107 1073083391 /nfs/dbraw/zinc/08/33/91/1073083391.db2.gz VPOKHGVYNUAUFJ-SIXLDLHFSA-N 1 0 398.463 -0.256 20 0 GBADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659724159 1073083699 /nfs/dbraw/zinc/08/36/99/1073083699.db2.gz MVXJGRLTKHNMAS-BMFZPTHFSA-N 1 0 386.452 -0.256 20 0 GBADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659724286 530150713 /nfs/dbraw/zinc/15/07/13/530150713.db2.gz UNXBEDURJXMELK-MMWGEVLESA-N 1 0 385.408 -0.466 20 0 GBADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659724287 530150729 /nfs/dbraw/zinc/15/07/29/530150729.db2.gz UNXBEDURJXMELK-NAKRPEOUSA-N 1 0 385.408 -0.466 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659724288 530150776 /nfs/dbraw/zinc/15/07/76/530150776.db2.gz UNXBEDURJXMELK-RCWTZXSCSA-N 1 0 385.408 -0.466 20 0 GBADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659724290 530150493 /nfs/dbraw/zinc/15/04/93/530150493.db2.gz UNXBEDURJXMELK-YTWAJWBKSA-N 1 0 385.408 -0.466 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000659724299 1073083675 /nfs/dbraw/zinc/08/36/75/1073083675.db2.gz WEUAORFBKJJLQO-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000659724302 1073083368 /nfs/dbraw/zinc/08/33/68/1073083368.db2.gz WEUAORFBKJJLQO-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCc2nccnc2C1 ZINC000659724447 1073083018 /nfs/dbraw/zinc/08/30/18/1073083018.db2.gz NZBOCRZIJIPZSG-CYBMUJFWSA-N 1 0 386.378 -0.686 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CCc2nccnc2C1 ZINC000659724448 1073083660 /nfs/dbraw/zinc/08/36/60/1073083660.db2.gz NZBOCRZIJIPZSG-ZDUSSCGKSA-N 1 0 386.378 -0.686 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)nn1 ZINC000659724468 1073083344 /nfs/dbraw/zinc/08/33/44/1073083344.db2.gz ONPOIQNEQWMVMI-KBPBESRZSA-N 1 0 376.461 -0.233 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)nn1 ZINC000659724469 1073083382 /nfs/dbraw/zinc/08/33/82/1073083382.db2.gz ONPOIQNEQWMVMI-KGLIPLIRSA-N 1 0 376.461 -0.233 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)nn1 ZINC000659724470 1073083246 /nfs/dbraw/zinc/08/32/46/1073083246.db2.gz ONPOIQNEQWMVMI-UONOGXRCSA-N 1 0 376.461 -0.233 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)nn1 ZINC000659724471 1073083628 /nfs/dbraw/zinc/08/36/28/1073083628.db2.gz ONPOIQNEQWMVMI-ZIAGYGMSSA-N 1 0 376.461 -0.233 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2=O)cc1 ZINC000659724476 1073083729 /nfs/dbraw/zinc/08/37/29/1073083729.db2.gz OTMHHNRZXRXODT-BBRMVZONSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2=O)cc1 ZINC000659724477 1073083162 /nfs/dbraw/zinc/08/31/62/1073083162.db2.gz OTMHHNRZXRXODT-CJNGLKHVSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2=O)cc1 ZINC000659724478 1073083058 /nfs/dbraw/zinc/08/30/58/1073083058.db2.gz OTMHHNRZXRXODT-CZUORRHYSA-N 1 0 390.440 -0.589 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2=O)cc1 ZINC000659724479 1073083110 /nfs/dbraw/zinc/08/31/10/1073083110.db2.gz OTMHHNRZXRXODT-XJKSGUPXSA-N 1 0 390.440 -0.589 20 0 GBADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659724777 1073083408 /nfs/dbraw/zinc/08/34/08/1073083408.db2.gz QVJKDOSDJNAJPD-ARFHVFGLSA-N 1 0 380.489 -0.759 20 0 GBADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000659724781 1073083707 /nfs/dbraw/zinc/08/37/07/1073083707.db2.gz QVJKDOSDJNAJPD-BZUAXINKSA-N 1 0 380.489 -0.759 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000659724901 1073083532 /nfs/dbraw/zinc/08/35/32/1073083532.db2.gz SBXDMBMSLUAUDE-AGIUHOORSA-N 1 0 380.411 -0.035 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000659724902 1073083255 /nfs/dbraw/zinc/08/32/55/1073083255.db2.gz SBXDMBMSLUAUDE-FRRDWIJNSA-N 1 0 380.411 -0.035 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000659724911 1073083201 /nfs/dbraw/zinc/08/32/01/1073083201.db2.gz SIDOBYHYPPURJI-VXGBXAGGSA-N 1 0 397.419 -0.154 20 0 GBADRO C[C@@]1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000659724976 1073083284 /nfs/dbraw/zinc/08/32/84/1073083284.db2.gz UMNFYXQULSXKRW-COPLHBTASA-N 1 0 399.435 -0.074 20 0 GBADRO C[C@]1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000659724977 1073083142 /nfs/dbraw/zinc/08/31/42/1073083142.db2.gz UMNFYXQULSXKRW-MJVIPROJSA-N 1 0 399.435 -0.074 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1CCO ZINC000659725216 1073083478 /nfs/dbraw/zinc/08/34/78/1073083478.db2.gz UITHVDFCCRIFIP-HZSPNIEDSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1CCO ZINC000659725217 1073083092 /nfs/dbraw/zinc/08/30/92/1073083092.db2.gz UITHVDFCCRIFIP-MCIONIFRSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1CCO ZINC000659725218 1073083272 /nfs/dbraw/zinc/08/32/72/1073083272.db2.gz UITHVDFCCRIFIP-MGPQQGTHSA-N 1 0 394.438 -0.052 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1CCO ZINC000659725219 1073083291 /nfs/dbraw/zinc/08/32/91/1073083291.db2.gz UITHVDFCCRIFIP-RDBSUJKOSA-N 1 0 394.438 -0.052 20 0 GBADRO CC1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000659725371 1073083545 /nfs/dbraw/zinc/08/35/45/1073083545.db2.gz WQAFOKHTHYUUFR-QWRGUYRKSA-N 1 0 399.435 -0.074 20 0 GBADRO COc1cccc(OC)c1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000659725541 1073083128 /nfs/dbraw/zinc/08/31/28/1073083128.db2.gz COVOJEWTKORUFS-CYBMUJFWSA-N 1 0 392.456 -0.367 20 0 GBADRO COc1cccc(OC)c1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000659725542 1073083355 /nfs/dbraw/zinc/08/33/55/1073083355.db2.gz COVOJEWTKORUFS-ZDUSSCGKSA-N 1 0 392.456 -0.367 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659725646 1073083689 /nfs/dbraw/zinc/08/36/89/1073083689.db2.gz ZGLCNDARXRRRBX-AGIUHOORSA-N 1 0 378.395 -0.566 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659725648 1073083046 /nfs/dbraw/zinc/08/30/46/1073083046.db2.gz ZGLCNDARXRRRBX-AVGNSLFASA-N 1 0 378.395 -0.566 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659725650 1073083233 /nfs/dbraw/zinc/08/32/33/1073083233.db2.gz ZGLCNDARXRRRBX-UPJWGTAASA-N 1 0 378.395 -0.566 20 0 GBADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659725651 1073082984 /nfs/dbraw/zinc/08/29/84/1073082984.db2.gz ZGLCNDARXRRRBX-XQQFMLRXSA-N 1 0 378.395 -0.566 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659726099 1073084804 /nfs/dbraw/zinc/08/48/04/1073084804.db2.gz BSXUKPYQGUZTJH-CLWVCHIJSA-N 1 0 386.452 -0.128 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659726100 1073084780 /nfs/dbraw/zinc/08/47/80/1073084780.db2.gz BSXUKPYQGUZTJH-DARAHFNDSA-N 1 0 386.452 -0.128 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659726101 1073084789 /nfs/dbraw/zinc/08/47/89/1073084789.db2.gz BSXUKPYQGUZTJH-LQKXBSAESA-N 1 0 386.452 -0.128 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659726102 1073084509 /nfs/dbraw/zinc/08/45/09/1073084509.db2.gz BSXUKPYQGUZTJH-XOUADPBQSA-N 1 0 386.452 -0.128 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2=O)cc1 ZINC000659726486 1073083863 /nfs/dbraw/zinc/08/38/63/1073083863.db2.gz AIEYOSPSKDJIGD-BBRMVZONSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2=O)cc1 ZINC000659726488 1073084724 /nfs/dbraw/zinc/08/47/24/1073084724.db2.gz AIEYOSPSKDJIGD-CJNGLKHVSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2=O)cc1 ZINC000659726489 1073084655 /nfs/dbraw/zinc/08/46/55/1073084655.db2.gz AIEYOSPSKDJIGD-CZUORRHYSA-N 1 0 390.440 -0.507 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2=O)cc1 ZINC000659726490 1073083880 /nfs/dbraw/zinc/08/38/80/1073083880.db2.gz AIEYOSPSKDJIGD-XJKSGUPXSA-N 1 0 390.440 -0.507 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000659726572 1073083507 /nfs/dbraw/zinc/08/35/07/1073083507.db2.gz KXQRGKXMZYBZEZ-VXGBXAGGSA-N 1 0 399.435 -0.074 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000659726863 1073086561 /nfs/dbraw/zinc/08/65/61/1073086561.db2.gz CCRLHHMMKZXTTN-ARFHVFGLSA-N 1 0 397.497 -0.146 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000659726864 1073086619 /nfs/dbraw/zinc/08/66/19/1073086619.db2.gz CCRLHHMMKZXTTN-BZUAXINKSA-N 1 0 397.497 -0.146 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000659726865 1073087799 /nfs/dbraw/zinc/08/77/99/1073087799.db2.gz CCRLHHMMKZXTTN-HRCADAONSA-N 1 0 397.497 -0.146 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000659726866 1073087862 /nfs/dbraw/zinc/08/78/62/1073087862.db2.gz CCRLHHMMKZXTTN-OWCLPIDISA-N 1 0 397.497 -0.146 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000659726893 1073088114 /nfs/dbraw/zinc/08/81/14/1073088114.db2.gz CMDRFACVHPIAQI-ATGSNQNLSA-N 1 0 399.444 -0.993 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000659726894 1073087671 /nfs/dbraw/zinc/08/76/71/1073087671.db2.gz CMDRFACVHPIAQI-MYPMTAMASA-N 1 0 399.444 -0.993 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000659726895 1073087277 /nfs/dbraw/zinc/08/72/77/1073087277.db2.gz CMDRFACVHPIAQI-PMOUVXMZSA-N 1 0 399.444 -0.993 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000659726896 1073087381 /nfs/dbraw/zinc/08/73/81/1073087381.db2.gz CMDRFACVHPIAQI-ZGKBOVNRSA-N 1 0 399.444 -0.993 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)nn1 ZINC000659727143 1073086472 /nfs/dbraw/zinc/08/64/72/1073086472.db2.gz IGSJMNWWENTYKV-UHFFFAOYSA-N 1 0 376.461 -0.231 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000659727248 1073084106 /nfs/dbraw/zinc/08/41/06/1073084106.db2.gz JJZCQAJGMFVFRO-UHFFFAOYSA-N 1 0 395.322 -0.105 20 0 GBADRO Cc1ccncc1CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659727260 1073084679 /nfs/dbraw/zinc/08/46/79/1073084679.db2.gz ABZAYESRBVWBML-KRWDZBQOSA-N 1 0 387.484 -0.281 20 0 GBADRO Cc1ccncc1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659727261 1073083917 /nfs/dbraw/zinc/08/39/17/1073083917.db2.gz ABZAYESRBVWBML-QGZVFWFLSA-N 1 0 387.484 -0.281 20 0 GBADRO Cc1ccncc1CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000659727275 1073084204 /nfs/dbraw/zinc/08/42/04/1073084204.db2.gz AGQCRRJLVZMFMM-INIZCTEOSA-N 1 0 375.473 -0.105 20 0 GBADRO Cc1ccncc1CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000659727276 1073084036 /nfs/dbraw/zinc/08/40/36/1073084036.db2.gz AGQCRRJLVZMFMM-MRXNPFEDSA-N 1 0 375.473 -0.105 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000659727903 1073085912 /nfs/dbraw/zinc/08/59/12/1073085912.db2.gz LWXDLAXWKNIZSC-DOMZBBRYSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000659727904 1073085631 /nfs/dbraw/zinc/08/56/31/1073085631.db2.gz LWXDLAXWKNIZSC-IUODEOHRSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000659727905 1073085604 /nfs/dbraw/zinc/08/56/04/1073085604.db2.gz LWXDLAXWKNIZSC-SWLSCSKDSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000659727906 1073085837 /nfs/dbraw/zinc/08/58/37/1073085837.db2.gz LWXDLAXWKNIZSC-WFASDCNBSA-N 1 0 376.413 -0.979 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659727993 1073085704 /nfs/dbraw/zinc/08/57/04/1073085704.db2.gz HLVDRVBUWZWWLL-DZGCQCFKSA-N 1 0 389.456 -0.982 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659727997 1073085672 /nfs/dbraw/zinc/08/56/72/1073085672.db2.gz HLVDRVBUWZWWLL-HIFRSBDPSA-N 1 0 389.456 -0.982 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659727999 1073085476 /nfs/dbraw/zinc/08/54/76/1073085476.db2.gz HLVDRVBUWZWWLL-UKRRQHHQSA-N 1 0 389.456 -0.982 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659728001 1073085823 /nfs/dbraw/zinc/08/58/23/1073085823.db2.gz HLVDRVBUWZWWLL-ZFWWWQNUSA-N 1 0 389.456 -0.982 20 0 GBADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000659728383 1073085463 /nfs/dbraw/zinc/08/54/63/1073085463.db2.gz NNYOCKSKZBFASK-LUKYLMHMSA-N 1 0 398.463 -0.126 20 0 GBADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000659728385 1073085308 /nfs/dbraw/zinc/08/53/08/1073085308.db2.gz NNYOCKSKZBFASK-TWMKSMIVSA-N 1 0 398.463 -0.126 20 0 GBADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000659728387 1073085383 /nfs/dbraw/zinc/08/53/83/1073085383.db2.gz NNYOCKSKZBFASK-VQHPVUNQSA-N 1 0 398.463 -0.126 20 0 GBADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000659728389 1073085660 /nfs/dbraw/zinc/08/56/60/1073085660.db2.gz NNYOCKSKZBFASK-VVLHAWIVSA-N 1 0 398.463 -0.126 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659728479 1073085521 /nfs/dbraw/zinc/08/55/21/1073085521.db2.gz JKCBSZOUSCLTPJ-QLFBSQMISA-N 1 0 387.502 -0.847 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659728480 1073085689 /nfs/dbraw/zinc/08/56/89/1073085689.db2.gz JKCBSZOUSCLTPJ-RBSFLKMASA-N 1 0 387.502 -0.847 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659728481 1073085301 /nfs/dbraw/zinc/08/53/01/1073085301.db2.gz JKCBSZOUSCLTPJ-RRFJBIMHSA-N 1 0 387.502 -0.847 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659728482 1073085938 /nfs/dbraw/zinc/08/59/38/1073085938.db2.gz JKCBSZOUSCLTPJ-SOUVJXGZSA-N 1 0 387.502 -0.847 20 0 GBADRO COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OC)c1 ZINC000659728485 1073085789 /nfs/dbraw/zinc/08/57/89/1073085789.db2.gz JPRKPFYNQFKSGK-AWEZNQCLSA-N 1 0 389.412 -0.230 20 0 GBADRO COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OC)c1 ZINC000659728486 1073085762 /nfs/dbraw/zinc/08/57/62/1073085762.db2.gz JPRKPFYNQFKSGK-CQSZACIVSA-N 1 0 389.412 -0.230 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000659728547 1073085133 /nfs/dbraw/zinc/08/51/33/1073085133.db2.gz KTXCMHKNXITXBM-CABCVRRESA-N 1 0 383.470 -0.708 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000659728549 1073085291 /nfs/dbraw/zinc/08/52/91/1073085291.db2.gz KTXCMHKNXITXBM-GJZGRUSLSA-N 1 0 383.470 -0.708 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000659728551 1073085102 /nfs/dbraw/zinc/08/51/02/1073085102.db2.gz KTXCMHKNXITXBM-HUUCEWRRSA-N 1 0 383.470 -0.708 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000659728553 1073085118 /nfs/dbraw/zinc/08/51/18/1073085118.db2.gz KTXCMHKNXITXBM-LSDHHAIUSA-N 1 0 383.470 -0.708 20 0 GBADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000659729220 1073086832 /nfs/dbraw/zinc/08/68/32/1073086832.db2.gz REAAASQDHZMJFA-OWCLPIDISA-N 1 0 395.481 -0.707 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2=O)cc1 ZINC000659729931 1073087183 /nfs/dbraw/zinc/08/71/83/1073087183.db2.gz QOLBHCMLBMSNMC-KCPJHIHWSA-N 1 0 378.404 -0.186 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2=O)cc1 ZINC000659729932 1073087738 /nfs/dbraw/zinc/08/77/38/1073087738.db2.gz QOLBHCMLBMSNMC-NILFDRSVSA-N 1 0 378.404 -0.186 20 0 GBADRO [NH3+]CC1(CCNC(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000659729961 1073087166 /nfs/dbraw/zinc/08/71/66/1073087166.db2.gz VTWAVMQSKWTYMZ-IYBDPMFKSA-N 1 0 398.463 -0.125 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000659730075 1073087374 /nfs/dbraw/zinc/08/73/74/1073087374.db2.gz VBYZOOIDXMKYNW-SMYDJFOASA-N 1 0 399.513 -0.816 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000659730076 1073087982 /nfs/dbraw/zinc/08/79/82/1073087982.db2.gz VBYZOOIDXMKYNW-UBQORGGDSA-N 1 0 399.513 -0.816 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000659730077 1073087848 /nfs/dbraw/zinc/08/78/48/1073087848.db2.gz VBYZOOIDXMKYNW-VXKLPAMUSA-N 1 0 399.513 -0.816 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000659730078 1073087638 /nfs/dbraw/zinc/08/76/38/1073087638.db2.gz VBYZOOIDXMKYNW-WUWFNXIJSA-N 1 0 399.513 -0.816 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2=O)cc1 ZINC000659730261 1073089843 /nfs/dbraw/zinc/08/98/43/1073089843.db2.gz QXGWLXGIPIAHJB-DOMZBBRYSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2=O)cc1 ZINC000659730262 1073090052 /nfs/dbraw/zinc/09/00/52/1073090052.db2.gz QXGWLXGIPIAHJB-IUODEOHRSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2=O)cc1 ZINC000659730263 1073090021 /nfs/dbraw/zinc/09/00/21/1073090021.db2.gz QXGWLXGIPIAHJB-SWLSCSKDSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2=O)cc1 ZINC000659730264 1073090266 /nfs/dbraw/zinc/09/02/66/1073090266.db2.gz QXGWLXGIPIAHJB-WFASDCNBSA-N 1 0 376.413 -0.897 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2=O)cc1 ZINC000659730287 1073089862 /nfs/dbraw/zinc/08/98/62/1073089862.db2.gz RQBZXBINJQVUQR-IOASZLSFSA-N 1 0 390.440 -0.509 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2=O)cc1 ZINC000659730288 1073089693 /nfs/dbraw/zinc/08/96/93/1073089693.db2.gz RQBZXBINJQVUQR-WOSRLPQWSA-N 1 0 390.440 -0.509 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2=O)cc1 ZINC000659730289 1073090108 /nfs/dbraw/zinc/09/01/08/1073090108.db2.gz RQBZXBINJQVUQR-XJKCOSOUSA-N 1 0 390.440 -0.509 20 0 GBADRO COc1ccc(N2C[C@H](NC(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2=O)cc1 ZINC000659730290 1073089960 /nfs/dbraw/zinc/08/99/60/1073089960.db2.gz RQBZXBINJQVUQR-ZENOOKHLSA-N 1 0 390.440 -0.509 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000659730335 1073089946 /nfs/dbraw/zinc/08/99/46/1073089946.db2.gz SRPARPKHFBOJBL-BYNSBNAKSA-N 1 0 387.502 -0.705 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000659730336 1073089612 /nfs/dbraw/zinc/08/96/12/1073089612.db2.gz SRPARPKHFBOJBL-CBBWQLFWSA-N 1 0 387.502 -0.705 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000659730337 1073089653 /nfs/dbraw/zinc/08/96/53/1073089653.db2.gz SRPARPKHFBOJBL-LXTVHRRPSA-N 1 0 387.502 -0.705 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000659730338 1073089902 /nfs/dbraw/zinc/08/99/02/1073089902.db2.gz SRPARPKHFBOJBL-ZQDZILKHSA-N 1 0 387.502 -0.705 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000659730966 1073092286 /nfs/dbraw/zinc/09/22/86/1073092286.db2.gz WCELCIKOGVDXNW-GBJTYRQASA-N 1 0 399.444 -0.993 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000659730967 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IVHFYKKICDYFJB-RYUDHWBXSA-N 1 0 376.404 -0.627 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000659731480 1073092570 /nfs/dbraw/zinc/09/25/70/1073092570.db2.gz IVHFYKKICDYFJB-VXGBXAGGSA-N 1 0 376.404 -0.627 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCCC1 ZINC000659731916 1073092549 /nfs/dbraw/zinc/09/25/49/1073092549.db2.gz GRTJJYQKHPWDAW-UHFFFAOYSA-N 1 0 399.473 -0.964 20 0 GBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)no1 ZINC000659732038 1073092559 /nfs/dbraw/zinc/09/25/59/1073092559.db2.gz DLGJGPUYHPBNQF-UHFFFAOYSA-N 1 0 392.460 -0.547 20 0 GBADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCCC1 ZINC000659732047 1073091696 /nfs/dbraw/zinc/09/16/96/1073091696.db2.gz IRWPVHFZHRUXFK-UHFFFAOYSA-N 1 0 379.505 -0.469 20 0 GBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732132 1073092154 /nfs/dbraw/zinc/09/21/54/1073092154.db2.gz JXTYALUQMIKUED-HNNXBMFYSA-N 1 0 393.532 -0.034 20 0 GBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732134 1073091890 /nfs/dbraw/zinc/09/18/90/1073091890.db2.gz JXTYALUQMIKUED-OAHLLOKOSA-N 1 0 393.532 -0.034 20 0 GBADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000659732224 1073091711 /nfs/dbraw/zinc/09/17/11/1073091711.db2.gz DRUMKNHQCAXGGZ-ZDUSSCGKSA-N 1 0 384.440 -0.542 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732270 1073092580 /nfs/dbraw/zinc/09/25/80/1073092580.db2.gz LKUDODOAZMXCJW-UHFFFAOYSA-N 1 0 386.460 -0.600 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732313 1073092472 /nfs/dbraw/zinc/09/24/72/1073092472.db2.gz HSLGCYZEJUZBPY-HNNXBMFYSA-N 1 0 397.520 -0.941 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732315 1073092068 /nfs/dbraw/zinc/09/20/68/1073092068.db2.gz HSLGCYZEJUZBPY-OAHLLOKOSA-N 1 0 397.520 -0.941 20 0 GBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 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C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC000659734669 1073093514 /nfs/dbraw/zinc/09/35/14/1073093514.db2.gz AWWDSUMTGFHENX-OAGGEKHMSA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC000659734671 1073093423 /nfs/dbraw/zinc/09/34/23/1073093423.db2.gz AWWDSUMTGFHENX-OWCLPIDISA-N 1 0 380.489 -0.269 20 0 GBADRO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)O1 ZINC000659734673 1073092682 /nfs/dbraw/zinc/09/26/82/1073092682.db2.gz AWWDSUMTGFHENX-PMPSAXMXSA-N 1 0 380.489 -0.269 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)nn1 ZINC000659734830 1073093384 /nfs/dbraw/zinc/09/33/84/1073093384.db2.gz PDFUQCXCXBBYOS-UHFFFAOYSA-N 1 0 376.461 -0.088 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659734928 1073092803 /nfs/dbraw/zinc/09/28/03/1073092803.db2.gz VGSFSWUGSRARJT-INIZCTEOSA-N 1 0 393.532 -0.081 20 0 GBADRO 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VLEFJCVWGBXEDT-HNNXBMFYSA-N 1 0 388.472 -0.886 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000659739480 1073091417 /nfs/dbraw/zinc/09/14/17/1073091417.db2.gz VLEFJCVWGBXEDT-OAHLLOKOSA-N 1 0 388.472 -0.886 20 0 GBADRO O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659739517 1073090525 /nfs/dbraw/zinc/09/05/25/1073090525.db2.gz WQDIJOLWNHQEAG-GPMSIDNRSA-N 1 0 376.501 -0.042 20 0 GBADRO O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659739518 1073090416 /nfs/dbraw/zinc/09/04/16/1073090416.db2.gz WQDIJOLWNHQEAG-MDZRGWNJSA-N 1 0 376.501 -0.042 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000659739539 1073091345 /nfs/dbraw/zinc/09/13/45/1073091345.db2.gz XAMHTJBRAUFFHH-HNNXBMFYSA-N 1 0 376.461 -0.710 20 0 GBADRO Cc1cncc(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000659739540 1073091178 /nfs/dbraw/zinc/09/11/78/1073091178.db2.gz XAMHTJBRAUFFHH-OAHLLOKOSA-N 1 0 376.461 -0.710 20 0 GBADRO NC(=O)c1csc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)n1 ZINC000659740187 1073092528 /nfs/dbraw/zinc/09/25/28/1073092528.db2.gz FPKRVWOZNOWNDP-CMPLNLGQSA-N 1 0 391.428 -0.049 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000659740313 1073092376 /nfs/dbraw/zinc/09/23/76/1073092376.db2.gz CCGMDYOUBQHDQR-CQSZACIVSA-N 1 0 388.476 -0.499 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000659740345 1073091991 /nfs/dbraw/zinc/09/19/91/1073091991.db2.gz CZOBULRENFSUQR-UONOGXRCSA-N 1 0 388.476 -0.349 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000659740427 1073092051 /nfs/dbraw/zinc/09/20/51/1073092051.db2.gz NANAGMASLWYRCI-CUXMIQLJSA-N 1 0 396.447 -0.502 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000659740584 1073091877 /nfs/dbraw/zinc/09/18/77/1073091877.db2.gz CZOBULRENFSUQR-ZIAGYGMSSA-N 1 0 388.476 -0.349 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659740839 1073099067 /nfs/dbraw/zinc/09/90/67/1073099067.db2.gz DQVGPPVLPPQDFF-UHFFFAOYSA-N 1 0 394.497 -0.400 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000659740919 1073099369 /nfs/dbraw/zinc/09/93/69/1073099369.db2.gz GFOQGOJIOFXYSO-UHFFFAOYSA-N 1 0 392.422 -0.032 20 0 GBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740926 1073099189 /nfs/dbraw/zinc/09/91/89/1073099189.db2.gz GKBXBUJZPDFKTG-LSWWBPAMSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740927 1073099157 /nfs/dbraw/zinc/09/91/57/1073099157.db2.gz GKBXBUJZPDFKTG-SHPPYHEDSA-N 1 0 391.516 -0.600 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741195 1073099578 /nfs/dbraw/zinc/09/95/78/1073099578.db2.gz HIVUUSXXEVGWEB-TZGCNFNXSA-N 1 0 377.489 -0.990 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659741196 1073099332 /nfs/dbraw/zinc/09/93/32/1073099332.db2.gz HIVUUSXXEVGWEB-XVTSOASTSA-N 1 0 377.489 -0.990 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659741732 1073099019 /nfs/dbraw/zinc/09/90/19/1073099019.db2.gz NBKHYNHKRJHCRR-MRXNPFEDSA-N 1 0 383.537 -0.121 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1)N1CCCCCC1 ZINC000659742083 1073093318 /nfs/dbraw/zinc/09/33/18/1073093318.db2.gz PVCMVINLGVRRQT-UHFFFAOYSA-N 1 0 391.516 -0.599 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659742095 530344759 /nfs/dbraw/zinc/34/47/59/530344759.db2.gz PYGCSPVFNVIXJC-AXFHLTTASA-N 1 0 387.424 -0.090 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H]1C(F)(F)F ZINC000659742180 530150611 /nfs/dbraw/zinc/15/06/11/530150611.db2.gz ZVPGQFVHWLIQLD-LIVJGEBJSA-N 1 0 383.392 -0.712 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000659742347 1073099590 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OYKAWUPWUDGXHR-ZBFVHZJFSA-N 1 0 380.470 -0.278 20 0 GBADRO O=C(NCCCc1ccco1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659744363 1073093940 /nfs/dbraw/zinc/09/39/40/1073093940.db2.gz KBPGZHQBSSEOMP-HNNXBMFYSA-N 1 0 376.457 -0.001 20 0 GBADRO O=C(NCCCc1ccco1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659744364 1073094838 /nfs/dbraw/zinc/09/48/38/1073094838.db2.gz KBPGZHQBSSEOMP-OAHLLOKOSA-N 1 0 376.457 -0.001 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1)Nc1ccccc1 ZINC000659744417 1073094593 /nfs/dbraw/zinc/09/45/93/1073094593.db2.gz VLWKVTLGXPRUKX-UHFFFAOYSA-N 1 0 385.468 -0.363 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000659744436 1073094642 /nfs/dbraw/zinc/09/46/42/1073094642.db2.gz KRHKAUDHDRLOPL-HZPDHXFCSA-N 1 0 381.521 -0.369 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000659744437 1073094110 /nfs/dbraw/zinc/09/41/10/1073094110.db2.gz KRHKAUDHDRLOPL-JKSUJKDBSA-N 1 0 381.521 -0.369 20 0 GBADRO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744628 1073093769 /nfs/dbraw/zinc/09/37/69/1073093769.db2.gz ZGCNYENWRLWCRP-UHFFFAOYSA-N 1 0 379.505 -0.743 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1)NCc1ccccc1 ZINC000659744639 1073093913 /nfs/dbraw/zinc/09/39/13/1073093913.db2.gz ZMGQRGSQESMLQE-UHFFFAOYSA-N 1 0 399.495 -0.685 20 0 GBADRO O=C(CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1)N1CCCCC1 ZINC000659744952 1073094862 /nfs/dbraw/zinc/09/48/62/1073094862.db2.gz MKVZKUJDAOJCFD-UHFFFAOYSA-N 1 0 377.489 -0.989 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000659745078 530150722 /nfs/dbraw/zinc/15/07/22/530150722.db2.gz VPZHDUJHMIRPOB-UONOGXRCSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000659745079 530150519 /nfs/dbraw/zinc/15/05/19/530150519.db2.gz VPZHDUJHMIRPOB-ZIAGYGMSSA-N 1 0 376.523 -0.204 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000659745640 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Cc1cccc(CN2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659747333 1073096226 /nfs/dbraw/zinc/09/62/26/1073096226.db2.gz BTJOANPTNRMFGM-UHFFFAOYSA-N 1 0 398.467 -0.090 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000659747363 1073095140 /nfs/dbraw/zinc/09/51/40/1073095140.db2.gz CZXUFNGIMKOATC-UHFFFAOYSA-N 1 0 388.403 -0.255 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000659747489 1073094567 /nfs/dbraw/zinc/09/45/67/1073094567.db2.gz YNMGLBUXQBEPRO-CQSZACIVSA-N 1 0 376.461 -0.681 20 0 GBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC2)no1 ZINC000659747533 1073094179 /nfs/dbraw/zinc/09/41/79/1073094179.db2.gz ZRDIIPIITUCGOS-CQSZACIVSA-N 1 0 394.476 -0.445 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000659747557 1073094399 /nfs/dbraw/zinc/09/43/99/1073094399.db2.gz DSKHIJQTLGJMLQ-INIZCTEOSA-N 1 0 398.467 -0.358 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](Cc2ccccc2)C1 ZINC000659747558 1073094800 /nfs/dbraw/zinc/09/48/00/1073094800.db2.gz DSKHIJQTLGJMLQ-MRXNPFEDSA-N 1 0 398.467 -0.358 20 0 GBADRO CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000659747559 1073094355 /nfs/dbraw/zinc/09/43/55/1073094355.db2.gz DTKFUHPOKMBUMC-AWEZNQCLSA-N 1 0 398.423 -0.479 20 0 GBADRO CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000659747560 1073093854 /nfs/dbraw/zinc/09/38/54/1073093854.db2.gz DTKFUHPOKMBUMC-CQSZACIVSA-N 1 0 398.423 -0.479 20 0 GBADRO COCCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747568 1073094773 /nfs/dbraw/zinc/09/47/73/1073094773.db2.gz FBACFVYXKTVEEJ-UHFFFAOYSA-N 1 0 379.442 -0.006 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)n1 ZINC000659747582 1073094455 /nfs/dbraw/zinc/09/44/55/1073094455.db2.gz FMKXDJGRFPFENY-UHFFFAOYSA-N 1 0 390.366 -0.646 20 0 GBADRO Cc1ccccc1CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747583 1073095478 /nfs/dbraw/zinc/09/54/78/1073095478.db2.gz FMSDRVCULGTPKB-UHFFFAOYSA-N 1 0 398.467 -0.090 20 0 GBADRO CC(C)N1C(=O)CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1(C)C ZINC000659747665 1073094654 /nfs/dbraw/zinc/09/46/54/1073094654.db2.gz HOSDQBKARQUQPU-UHFFFAOYSA-N 1 0 378.433 -0.885 20 0 GBADRO CC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1CC(F)F ZINC000659747795 1073096883 /nfs/dbraw/zinc/09/68/83/1073096883.db2.gz JXIRXLKFVWSFFK-LLVKDONJSA-N 1 0 386.403 -0.555 20 0 GBADRO CC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1CC(F)F ZINC000659747796 1073097036 /nfs/dbraw/zinc/09/70/36/1073097036.db2.gz JXIRXLKFVWSFFK-NSHDSACASA-N 1 0 386.403 -0.555 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)n1 ZINC000659747811 1073097280 /nfs/dbraw/zinc/09/72/80/1073097280.db2.gz KGRHBAKVFCUHPA-UHFFFAOYSA-N 1 0 375.360 -0.183 20 0 GBADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747857 1073097393 /nfs/dbraw/zinc/09/73/93/1073097393.db2.gz KWSWKLHMNZTBBR-UHFFFAOYSA-N 1 0 394.476 -0.926 20 0 GBADRO Cc1csc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)n1 ZINC000659747909 1073097303 /nfs/dbraw/zinc/09/73/03/1073097303.db2.gz AMYWXFMZUJBSJR-UHFFFAOYSA-N 1 0 391.457 -0.629 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 ZINC000659747916 1073096939 /nfs/dbraw/zinc/09/69/39/1073096939.db2.gz APGFDEVYGYRJHS-AWEZNQCLSA-N 1 0 398.423 -0.653 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 ZINC000659747917 1073097055 /nfs/dbraw/zinc/09/70/55/1073097055.db2.gz APGFDEVYGYRJHS-CQSZACIVSA-N 1 0 398.423 -0.653 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)n1 ZINC000659747926 1073096544 /nfs/dbraw/zinc/09/65/44/1073096544.db2.gz AZMUPNJUVDVALZ-UHFFFAOYSA-N 1 0 386.412 -0.689 20 0 GBADRO CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1CCOC ZINC000659747969 1073097576 /nfs/dbraw/zinc/09/75/76/1073097576.db2.gz LTRKRSMMXHBCJY-AWEZNQCLSA-N 1 0 394.476 -0.784 20 0 GBADRO CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1CCOC ZINC000659747971 1073096363 /nfs/dbraw/zinc/09/63/63/1073096363.db2.gz LTRKRSMMXHBCJY-CQSZACIVSA-N 1 0 394.476 -0.784 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)n1 ZINC000659747987 1073097533 /nfs/dbraw/zinc/09/75/33/1073097533.db2.gz BZFWYBISXTWGSX-UHFFFAOYSA-N 1 0 390.469 -0.337 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)n1 ZINC000659748001 1073096979 /nfs/dbraw/zinc/09/69/79/1073096979.db2.gz CBVMKQSNOFOPNN-AWEZNQCLSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000659748003 1073097015 /nfs/dbraw/zinc/09/70/15/1073097015.db2.gz CBVMKQSNOFOPNN-CQSZACIVSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000659748055 1073097341 /nfs/dbraw/zinc/09/73/41/1073097341.db2.gz NHCQDSPSZPMUCO-HNNXBMFYSA-N 1 0 385.424 -0.273 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000659748056 1073096839 /nfs/dbraw/zinc/09/68/39/1073096839.db2.gz NHCQDSPSZPMUCO-OAHLLOKOSA-N 1 0 385.424 -0.273 20 0 GBADRO Cc1ccc([C@H]2COCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)o1 ZINC000659748064 1073097493 /nfs/dbraw/zinc/09/74/93/1073097493.db2.gz NTAWNOOIQRUWMX-GFCCVEGCSA-N 1 0 375.385 -0.241 20 0 GBADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)o1 ZINC000659748065 1073096415 /nfs/dbraw/zinc/09/64/15/1073096415.db2.gz NTAWNOOIQRUWMX-LBPRGKRZSA-N 1 0 375.385 -0.241 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000659748070 1073097122 /nfs/dbraw/zinc/09/71/22/1073097122.db2.gz NVADYEGDSCTVAZ-JTQLQIEISA-N 1 0 391.350 -0.173 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000659748071 1073096729 /nfs/dbraw/zinc/09/67/29/1073096729.db2.gz NVADYEGDSCTVAZ-SNVBAGLBSA-N 1 0 391.350 -0.173 20 0 GBADRO Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748072 1073097369 /nfs/dbraw/zinc/09/73/69/1073097369.db2.gz NVTZPUJTFLNUEU-UHFFFAOYSA-N 1 0 384.440 -0.086 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000659748135 1073096930 /nfs/dbraw/zinc/09/69/30/1073096930.db2.gz DZAHHFANLWGDBK-HNNXBMFYSA-N 1 0 376.457 -0.067 20 0 GBADRO COc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000659748136 1073097197 /nfs/dbraw/zinc/09/71/97/1073097197.db2.gz DZAHHFANLWGDBK-OAHLLOKOSA-N 1 0 376.457 -0.067 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](c2ccccc2)C1 ZINC000659748158 1073097239 /nfs/dbraw/zinc/09/72/39/1073097239.db2.gz FLVYVJJDAQQFEO-HNNXBMFYSA-N 1 0 384.440 -0.228 20 0 GBADRO CN1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](c2ccccc2)C1 ZINC000659748160 1073096626 /nfs/dbraw/zinc/09/66/26/1073096626.db2.gz FLVYVJJDAQQFEO-OAHLLOKOSA-N 1 0 384.440 -0.228 20 0 GBADRO Cc1cccc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659748172 1073096957 /nfs/dbraw/zinc/09/69/57/1073096957.db2.gz FVCKLOHEYBEDEK-UHFFFAOYSA-N 1 0 384.440 -0.086 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000659748181 1073095691 /nfs/dbraw/zinc/09/56/91/1073095691.db2.gz PNRWOXJGWMCIFF-INIZCTEOSA-N 1 0 380.489 -0.269 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000659748182 1073095631 /nfs/dbraw/zinc/09/56/31/1073095631.db2.gz PNRWOXJGWMCIFF-MRXNPFEDSA-N 1 0 380.489 -0.269 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000659748228 1073095070 /nfs/dbraw/zinc/09/50/70/1073095070.db2.gz QIWQAMZUXBAVHK-UHFFFAOYSA-N 1 0 384.440 -0.399 20 0 GBADRO CN(CCOc1ccccc1F)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748235 1073095984 /nfs/dbraw/zinc/09/59/84/1073095984.db2.gz GZYSWTQQELBRIE-UHFFFAOYSA-N 1 0 377.376 -0.066 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3ncccc3F)CC2)n1 ZINC000659748247 1073095373 /nfs/dbraw/zinc/09/53/73/1073095373.db2.gz QNXNUEXIBFDPIU-UHFFFAOYSA-N 1 0 389.391 -0.860 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)n1 ZINC000659748264 1073095521 /nfs/dbraw/zinc/09/55/21/1073095521.db2.gz RHNQWCRVNXKQMI-UHFFFAOYSA-N 1 0 376.442 -0.333 20 0 GBADRO CN(c1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748384 1073096147 /nfs/dbraw/zinc/09/61/47/1073096147.db2.gz VALJIZVFXCCYGI-HNNXBMFYSA-N 1 0 384.440 -0.006 20 0 GBADRO CN(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659748386 1073095735 /nfs/dbraw/zinc/09/57/35/1073095735.db2.gz VALJIZVFXCCYGI-OAHLLOKOSA-N 1 0 384.440 -0.006 20 0 GBADRO COCCN(CCc1ccccc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748401 1073095035 /nfs/dbraw/zinc/09/50/35/1073095035.db2.gz ISXGNLVFWYSBAL-UHFFFAOYSA-N 1 0 387.440 -0.025 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000659748500 1073096082 /nfs/dbraw/zinc/09/60/82/1073096082.db2.gz WSICLEVTRKQNAB-AWEZNQCLSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000659748502 1073095345 /nfs/dbraw/zinc/09/53/45/1073095345.db2.gz WSICLEVTRKQNAB-CQSZACIVSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000659748528 1073095297 /nfs/dbraw/zinc/09/52/97/1073095297.db2.gz XEXWHTMHXBTWPU-UHFFFAOYSA-N 1 0 388.403 -0.255 20 0 GBADRO COCCN(Cc1ccc(C)o1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748556 1073096043 /nfs/dbraw/zinc/09/60/43/1073096043.db2.gz JMKQEQGZAGUYLY-UHFFFAOYSA-N 1 0 377.401 -0.166 20 0 GBADRO C[C@@H](N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1)C(F)(F)F ZINC000659748578 1073096130 /nfs/dbraw/zinc/09/61/30/1073096130.db2.gz XSYUHXIMRUTRGO-SECBINFHSA-N 1 0 390.366 -0.648 20 0 GBADRO C[C@H](N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1)C(F)(F)F ZINC000659748579 1073095240 /nfs/dbraw/zinc/09/52/40/1073095240.db2.gz XSYUHXIMRUTRGO-VIFPVBQESA-N 1 0 390.366 -0.648 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCCN(c3nccs3)CC2)n1 ZINC000659748588 1073095833 /nfs/dbraw/zinc/09/58/33/1073095833.db2.gz JVIBQOMKVLPEHK-UHFFFAOYSA-N 1 0 391.457 -0.548 20 0 GBADRO COc1cc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc(OC)c1 ZINC000659748619 1073096067 /nfs/dbraw/zinc/09/60/67/1073096067.db2.gz KCKNTNAFPMZSDS-UHFFFAOYSA-N 1 0 389.412 -0.067 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000659748631 1073095701 /nfs/dbraw/zinc/09/57/01/1073095701.db2.gz KEVHTYMGAAYCGV-UHFFFAOYSA-N 1 0 398.423 -0.758 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)n1 ZINC000659748663 1073095102 /nfs/dbraw/zinc/09/51/02/1073095102.db2.gz ZTXUQPGXKPOGSZ-UHFFFAOYSA-N 1 0 390.469 -0.337 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1Cc1ccccc1 ZINC000659748697 1073096779 /nfs/dbraw/zinc/09/67/79/1073096779.db2.gz LLBWNZCPGKIOQH-AWEZNQCLSA-N 1 0 398.467 -0.010 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCN1Cc1ccccc1 ZINC000659748698 1073096900 /nfs/dbraw/zinc/09/69/00/1073096900.db2.gz LLBWNZCPGKIOQH-CQSZACIVSA-N 1 0 398.467 -0.010 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000659748725 1073097327 /nfs/dbraw/zinc/09/73/27/1073097327.db2.gz ABNNNSJJFAZBKF-CMPLNLGQSA-N 1 0 377.405 -0.906 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000659748726 1073097080 /nfs/dbraw/zinc/09/70/80/1073097080.db2.gz ABNNNSJJFAZBKF-JQWIXIFHSA-N 1 0 377.405 -0.906 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000659748727 1073097563 /nfs/dbraw/zinc/09/75/63/1073097563.db2.gz ABNNNSJJFAZBKF-PWSUYJOCSA-N 1 0 377.405 -0.906 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000659748728 1073096592 /nfs/dbraw/zinc/09/65/92/1073096592.db2.gz ABNNNSJJFAZBKF-ZYHUDNBSSA-N 1 0 377.405 -0.906 20 0 GBADRO COc1ccc(OCCN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659748858 1073098008 /nfs/dbraw/zinc/09/80/08/1073098008.db2.gz NPSFPJKEYNXKLI-UHFFFAOYSA-N 1 0 389.412 -0.197 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)n1 ZINC000659748861 1073098658 /nfs/dbraw/zinc/09/86/58/1073098658.db2.gz NQMXUKJWSINWPL-UHFFFAOYSA-N 1 0 398.467 -0.356 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)n1 ZINC000659748865 1073098634 /nfs/dbraw/zinc/09/86/34/1073098634.db2.gz NWHSDYSQRBQKBY-GFCCVEGCSA-N 1 0 377.426 -0.081 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)n1 ZINC000659748866 1073098031 /nfs/dbraw/zinc/09/80/31/1073098031.db2.gz NWHSDYSQRBQKBY-LBPRGKRZSA-N 1 0 377.426 -0.081 20 0 GBADRO Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659748872 1073097741 /nfs/dbraw/zinc/09/77/41/1073097741.db2.gz OCRQIXDIHSBFBL-UHFFFAOYSA-N 1 0 385.428 -0.691 20 0 GBADRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748886 1073098084 /nfs/dbraw/zinc/09/80/84/1073098084.db2.gz OJLNYYFZZPNDPJ-AWEZNQCLSA-N 1 0 398.467 -0.010 20 0 GBADRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748887 1073098530 /nfs/dbraw/zinc/09/85/30/1073098530.db2.gz OJLNYYFZZPNDPJ-CQSZACIVSA-N 1 0 398.467 -0.010 20 0 GBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)CC1 ZINC000659748961 1073097784 /nfs/dbraw/zinc/09/77/84/1073097784.db2.gz CONJKJNWJGUJLS-HNNXBMFYSA-N 1 0 381.521 -0.497 20 0 GBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)CC1 ZINC000659748962 1073098289 /nfs/dbraw/zinc/09/82/89/1073098289.db2.gz CONJKJNWJGUJLS-OAHLLOKOSA-N 1 0 381.521 -0.497 20 0 GBADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749027 1073098474 /nfs/dbraw/zinc/09/84/74/1073098474.db2.gz PLTLQKLLBUSSBF-UHFFFAOYSA-N 1 0 387.396 -0.313 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000659749159 1073098191 /nfs/dbraw/zinc/09/81/91/1073098191.db2.gz FBGZECHUFIKXMH-AWEZNQCLSA-N 1 0 376.457 -0.174 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000659749160 1073098570 /nfs/dbraw/zinc/09/85/70/1073098570.db2.gz FBGZECHUFIKXMH-CQSZACIVSA-N 1 0 376.457 -0.174 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000659749203 1073098764 /nfs/dbraw/zinc/09/87/64/1073098764.db2.gz FVYSDZYOMNTHMB-CYBMUJFWSA-N 1 0 379.436 -0.368 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000659749204 1073098068 /nfs/dbraw/zinc/09/80/68/1073098068.db2.gz FVYSDZYOMNTHMB-ZDUSSCGKSA-N 1 0 379.436 -0.368 20 0 GBADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)n1 ZINC000659749219 1073097824 /nfs/dbraw/zinc/09/78/24/1073097824.db2.gz FYGJGAGPUWAFLG-CHWSQXEVSA-N 1 0 382.465 -0.465 20 0 GBADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)n1 ZINC000659749220 1073098496 /nfs/dbraw/zinc/09/84/96/1073098496.db2.gz FYGJGAGPUWAFLG-OLZOCXBDSA-N 1 0 382.465 -0.465 20 0 GBADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)n1 ZINC000659749221 1073098464 /nfs/dbraw/zinc/09/84/64/1073098464.db2.gz FYGJGAGPUWAFLG-QWHCGFSZSA-N 1 0 382.465 -0.465 20 0 GBADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)n1 ZINC000659749222 1073098715 /nfs/dbraw/zinc/09/87/15/1073098715.db2.gz FYGJGAGPUWAFLG-STQMWFEESA-N 1 0 382.465 -0.465 20 0 GBADRO Cc1ccncc1N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659749251 1073098231 /nfs/dbraw/zinc/09/82/31/1073098231.db2.gz TXYHWZWGRDXIBM-UHFFFAOYSA-N 1 0 385.428 -0.691 20 0 GBADRO CN(CCOc1ccc(F)cc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749315 1073097950 /nfs/dbraw/zinc/09/79/50/1073097950.db2.gz VNLRJEZEUBAVBY-UHFFFAOYSA-N 1 0 377.376 -0.066 20 0 GBADRO C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659749332 1073097865 /nfs/dbraw/zinc/09/78/65/1073097865.db2.gz VYEPXSJVBOMFSQ-CYBMUJFWSA-N 1 0 399.455 -0.443 20 0 GBADRO C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659749334 1073098607 /nfs/dbraw/zinc/09/86/07/1073098607.db2.gz VYEPXSJVBOMFSQ-ZDUSSCGKSA-N 1 0 399.455 -0.443 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000659749413 1073098450 /nfs/dbraw/zinc/09/84/50/1073098450.db2.gz HNQCBLGIZYYEKW-CYBMUJFWSA-N 1 0 380.420 -0.401 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000659749414 1073098501 /nfs/dbraw/zinc/09/85/01/1073098501.db2.gz HNQCBLGIZYYEKW-ZDUSSCGKSA-N 1 0 380.420 -0.401 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)n1 ZINC000659749470 1073097976 /nfs/dbraw/zinc/09/79/76/1073097976.db2.gz XVHNTKWBXBBXTC-AWEZNQCLSA-N 1 0 387.396 -0.437 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)n1 ZINC000659749472 1073098261 /nfs/dbraw/zinc/09/82/61/1073098261.db2.gz XVHNTKWBXBBXTC-CQSZACIVSA-N 1 0 387.396 -0.437 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000659749501 1073096856 /nfs/dbraw/zinc/09/68/56/1073096856.db2.gz ICFBDUHVKGXAIQ-HNNXBMFYSA-N 1 0 387.484 -0.556 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000659749502 1073097554 /nfs/dbraw/zinc/09/75/54/1073097554.db2.gz ICFBDUHVKGXAIQ-OAHLLOKOSA-N 1 0 387.484 -0.556 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000659749509 1073096704 /nfs/dbraw/zinc/09/67/04/1073096704.db2.gz YCOAJDJEFWOMDF-AWEZNQCLSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000659749512 1073096566 /nfs/dbraw/zinc/09/65/66/1073096566.db2.gz YCOAJDJEFWOMDF-CQSZACIVSA-N 1 0 389.387 -0.004 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)n1 ZINC000659749521 1073097210 /nfs/dbraw/zinc/09/72/10/1073097210.db2.gz YMRGAJFASDAXCB-UHFFFAOYSA-N 1 0 384.440 -0.004 20 0 GBADRO COc1c(C)cnc(CN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000659749547 1073098785 /nfs/dbraw/zinc/09/87/85/1073098785.db2.gz YTIBNKNFFPALJL-UHFFFAOYSA-N 1 0 388.428 -0.064 20 0 GBADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749610 1073098134 /nfs/dbraw/zinc/09/81/34/1073098134.db2.gz ZNNNBVUABWQQGV-GFCCVEGCSA-N 1 0 387.396 -0.445 20 0 GBADRO CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659749611 1073097889 /nfs/dbraw/zinc/09/78/89/1073097889.db2.gz ZNNNBVUABWQQGV-LBPRGKRZSA-N 1 0 387.396 -0.445 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000659749879 1073099419 /nfs/dbraw/zinc/09/94/19/1073099419.db2.gz CFUUCJMXFLHZFU-AWEZNQCLSA-N 1 0 382.486 -0.366 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000659749880 1073099642 /nfs/dbraw/zinc/09/96/42/1073099642.db2.gz CFUUCJMXFLHZFU-CQSZACIVSA-N 1 0 382.486 -0.366 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000659750301 1073099344 /nfs/dbraw/zinc/09/93/44/1073099344.db2.gz NMZIFLZMUWHHMW-AWEZNQCLSA-N 1 0 393.463 -0.576 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000659750302 1073098956 /nfs/dbraw/zinc/09/89/56/1073098956.db2.gz NMZIFLZMUWHHMW-CQSZACIVSA-N 1 0 393.463 -0.576 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000659750394 1073098055 /nfs/dbraw/zinc/09/80/55/1073098055.db2.gz OBVJKGYKIPOTHX-HNNXBMFYSA-N 1 0 375.473 -0.829 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000659750395 1073098157 /nfs/dbraw/zinc/09/81/57/1073098157.db2.gz OBVJKGYKIPOTHX-OAHLLOKOSA-N 1 0 375.473 -0.829 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000659750396 1073098361 /nfs/dbraw/zinc/09/83/61/1073098361.db2.gz OCMXIEJJJJIRPI-CYBMUJFWSA-N 1 0 385.472 -0.420 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000659750399 1073097933 /nfs/dbraw/zinc/09/79/33/1073097933.db2.gz OCMXIEJJJJIRPI-ZDUSSCGKSA-N 1 0 385.472 -0.420 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000659750489 1073099409 /nfs/dbraw/zinc/09/94/09/1073099409.db2.gz GHABHKOIFFLZEX-HWOWSKLDSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000659750491 1073098946 /nfs/dbraw/zinc/09/89/46/1073098946.db2.gz GHABHKOIFFLZEX-PCKAHOCUSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000659750577 1073098517 /nfs/dbraw/zinc/09/85/17/1073098517.db2.gz CSXWZOAQTVBUPH-CHWSQXEVSA-N 1 0 382.465 -0.465 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000659750580 1073098204 /nfs/dbraw/zinc/09/82/04/1073098204.db2.gz CSXWZOAQTVBUPH-OLZOCXBDSA-N 1 0 382.465 -0.465 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000659750583 1073098170 /nfs/dbraw/zinc/09/81/70/1073098170.db2.gz CSXWZOAQTVBUPH-QWHCGFSZSA-N 1 0 382.465 -0.465 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000659750586 1073097997 /nfs/dbraw/zinc/09/79/97/1073097997.db2.gz CSXWZOAQTVBUPH-STQMWFEESA-N 1 0 382.465 -0.465 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000659750648 1073098220 /nfs/dbraw/zinc/09/82/20/1073098220.db2.gz HKUMQBLQGUOCRE-AWEZNQCLSA-N 1 0 376.457 -0.020 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000659750650 1073098774 /nfs/dbraw/zinc/09/87/74/1073098774.db2.gz HKUMQBLQGUOCRE-CQSZACIVSA-N 1 0 376.457 -0.020 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000659750812 1073099520 /nfs/dbraw/zinc/09/95/20/1073099520.db2.gz QFUFAWKVDYTFPA-HNNXBMFYSA-N 1 0 378.473 -0.058 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000659750814 1073098932 /nfs/dbraw/zinc/09/89/32/1073098932.db2.gz QFUFAWKVDYTFPA-OAHLLOKOSA-N 1 0 378.473 -0.058 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000659750960 1073099274 /nfs/dbraw/zinc/09/92/74/1073099274.db2.gz RILFAPMQTKQVJS-GFCCVEGCSA-N 1 0 392.485 -0.876 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000659750966 1073099395 /nfs/dbraw/zinc/09/93/95/1073099395.db2.gz RILFAPMQTKQVJS-LBPRGKRZSA-N 1 0 392.485 -0.876 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000659751008 1073099055 /nfs/dbraw/zinc/09/90/55/1073099055.db2.gz RPWBHTBGVGJKAO-HRCADAONSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000659751012 1073099283 /nfs/dbraw/zinc/09/92/83/1073099283.db2.gz RPWBHTBGVGJKAO-JYJNAYRXSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000659751015 1073099127 /nfs/dbraw/zinc/09/91/27/1073099127.db2.gz RPWBHTBGVGJKAO-OWCLPIDISA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000659751018 1073099142 /nfs/dbraw/zinc/09/91/42/1073099142.db2.gz RPWBHTBGVGJKAO-PMPSAXMXSA-N 1 0 381.521 -0.450 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000659751614 1073099621 /nfs/dbraw/zinc/09/96/21/1073099621.db2.gz VZQNODGURAFNHG-INIZCTEOSA-N 1 0 377.489 -0.143 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000659751615 1073099103 /nfs/dbraw/zinc/09/91/03/1073099103.db2.gz VZQNODGURAFNHG-MRXNPFEDSA-N 1 0 377.489 -0.143 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000659752652 1073100197 /nfs/dbraw/zinc/10/01/97/1073100197.db2.gz KYHXOLZAIVMVKO-AWEZNQCLSA-N 1 0 382.486 -0.615 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000659752653 1073100272 /nfs/dbraw/zinc/10/02/72/1073100272.db2.gz KYHXOLZAIVMVKO-CQSZACIVSA-N 1 0 382.486 -0.615 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000659753276 530150916 /nfs/dbraw/zinc/15/09/16/530150916.db2.gz PGYBANBPIBOTSG-JTQLQIEISA-N 1 0 389.503 -0.991 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000659753278 530150717 /nfs/dbraw/zinc/15/07/17/530150717.db2.gz PGYBANBPIBOTSG-SNVBAGLBSA-N 1 0 389.503 -0.991 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000659754078 1073099301 /nfs/dbraw/zinc/09/93/01/1073099301.db2.gz SEUOSYTZGKZGAF-GFCCVEGCSA-N 1 0 386.449 -0.617 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000659754080 1073099651 /nfs/dbraw/zinc/09/96/51/1073099651.db2.gz SEUOSYTZGKZGAF-LBPRGKRZSA-N 1 0 386.449 -0.617 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659754337 1073099084 /nfs/dbraw/zinc/09/90/84/1073099084.db2.gz FBSKZICVMAOAER-AWEZNQCLSA-N 1 0 391.538 -0.779 20 0 GBADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659754339 1073099483 /nfs/dbraw/zinc/09/94/83/1073099483.db2.gz FBSKZICVMAOAER-CQSZACIVSA-N 1 0 391.538 -0.779 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000659755026 1073099322 /nfs/dbraw/zinc/09/93/22/1073099322.db2.gz XHEKNEUOEFQFNQ-HNNXBMFYSA-N 1 0 381.521 -0.354 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000659755027 1073099661 /nfs/dbraw/zinc/09/96/61/1073099661.db2.gz XHEKNEUOEFQFNQ-OAHLLOKOSA-N 1 0 381.521 -0.354 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659755724 1073099459 /nfs/dbraw/zinc/09/94/59/1073099459.db2.gz KXCIGXQYSPHKCO-JYJNAYRXSA-N 1 0 381.521 -0.641 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659755725 1073099220 /nfs/dbraw/zinc/09/92/20/1073099220.db2.gz KXCIGXQYSPHKCO-OAGGEKHMSA-N 1 0 381.521 -0.641 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659755727 1073099471 /nfs/dbraw/zinc/09/94/71/1073099471.db2.gz KXCIGXQYSPHKCO-OWCLPIDISA-N 1 0 381.521 -0.641 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659755728 1073098976 /nfs/dbraw/zinc/09/89/76/1073098976.db2.gz KXCIGXQYSPHKCO-XHSDSOJGSA-N 1 0 381.521 -0.641 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000659755772 1073100020 /nfs/dbraw/zinc/10/00/20/1073100020.db2.gz ZXFIIRJHPYJSCS-CYBMUJFWSA-N 1 0 386.456 -0.296 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000659755775 1073099932 /nfs/dbraw/zinc/09/99/32/1073099932.db2.gz ZXFIIRJHPYJSCS-ZDUSSCGKSA-N 1 0 386.456 -0.296 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000659755973 1073100219 /nfs/dbraw/zinc/10/02/19/1073100219.db2.gz ODUFGDOCJSRWOH-AWEZNQCLSA-N 1 0 376.457 -0.367 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000659755975 1073100228 /nfs/dbraw/zinc/10/02/28/1073100228.db2.gz ODUFGDOCJSRWOH-CQSZACIVSA-N 1 0 376.457 -0.367 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659756596 1073099290 /nfs/dbraw/zinc/09/92/90/1073099290.db2.gz SEFRCIHWQHAMPM-BLLLJJGKSA-N 1 0 392.456 -0.008 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659756598 1073099204 /nfs/dbraw/zinc/09/92/04/1073099204.db2.gz SEFRCIHWQHAMPM-LRDDRELGSA-N 1 0 392.456 -0.008 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659756600 1073099852 /nfs/dbraw/zinc/09/98/52/1073099852.db2.gz SEFRCIHWQHAMPM-MLGOLLRUSA-N 1 0 392.456 -0.008 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000659756707 1073100238 /nfs/dbraw/zinc/10/02/38/1073100238.db2.gz SEFRCIHWQHAMPM-WBMJQRKESA-N 1 0 392.456 -0.008 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000659756849 1073099918 /nfs/dbraw/zinc/09/99/18/1073099918.db2.gz VOQSDFXABSMDPN-GFCCVEGCSA-N 1 0 380.470 -0.686 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000659756850 1073100253 /nfs/dbraw/zinc/10/02/53/1073100253.db2.gz VOQSDFXABSMDPN-LBPRGKRZSA-N 1 0 380.470 -0.686 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000659757412 1073100255 /nfs/dbraw/zinc/10/02/55/1073100255.db2.gz YCXOSODOGUEOOR-DOTOQJQBSA-N 1 0 387.484 -0.340 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000659757415 1073099794 /nfs/dbraw/zinc/09/97/94/1073099794.db2.gz YCXOSODOGUEOOR-NVXWUHKLSA-N 1 0 387.484 -0.340 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000659757417 1073100276 /nfs/dbraw/zinc/10/02/76/1073100276.db2.gz YCXOSODOGUEOOR-RDJZCZTQSA-N 1 0 387.484 -0.340 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000659757420 1073100109 /nfs/dbraw/zinc/10/01/09/1073100109.db2.gz YCXOSODOGUEOOR-WBVHZDCISA-N 1 0 387.484 -0.340 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000659757510 1073099809 /nfs/dbraw/zinc/09/98/09/1073099809.db2.gz YXUBKJSSHSJFBJ-HNNXBMFYSA-N 1 0 396.513 -0.140 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000659757511 1073100091 /nfs/dbraw/zinc/10/00/91/1073100091.db2.gz YXUBKJSSHSJFBJ-OAHLLOKOSA-N 1 0 396.513 -0.140 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000659757532 1073099867 /nfs/dbraw/zinc/09/98/67/1073099867.db2.gz ZNIRHTQXFSMMOF-CYBMUJFWSA-N 1 0 398.485 -0.748 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000659757534 1073099774 /nfs/dbraw/zinc/09/97/74/1073099774.db2.gz ZNIRHTQXFSMMOF-ZDUSSCGKSA-N 1 0 398.485 -0.748 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659787030 1073111271 /nfs/dbraw/zinc/11/12/71/1073111271.db2.gz CIPDGKFUPMOPRV-GDBMZVCRSA-N 1 0 377.489 -0.896 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659787031 1073110763 /nfs/dbraw/zinc/11/07/63/1073110763.db2.gz CIPDGKFUPMOPRV-GOEBONIOSA-N 1 0 377.489 -0.896 20 0 GBADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659787032 1073111241 /nfs/dbraw/zinc/11/12/41/1073111241.db2.gz CIPDGKFUPMOPRV-HOCLYGCPSA-N 1 0 377.489 -0.896 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000659787033 1073110932 /nfs/dbraw/zinc/11/09/32/1073110932.db2.gz CIPDGKFUPMOPRV-ZBFHGGJFSA-N 1 0 377.489 -0.896 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659787087 1073110962 /nfs/dbraw/zinc/11/09/62/1073110962.db2.gz LNORCMRLWRLCBX-BZUAXINKSA-N 1 0 378.473 -0.469 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659787088 1073111322 /nfs/dbraw/zinc/11/13/22/1073111322.db2.gz LNORCMRLWRLCBX-OAGGEKHMSA-N 1 0 378.473 -0.469 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659787089 1073111091 /nfs/dbraw/zinc/11/10/91/1073111091.db2.gz LNORCMRLWRLCBX-OWCLPIDISA-N 1 0 378.473 -0.469 20 0 GBADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659787090 1073111314 /nfs/dbraw/zinc/11/13/14/1073111314.db2.gz LNORCMRLWRLCBX-PMPSAXMXSA-N 1 0 378.473 -0.469 20 0 GBADRO COCCOCCOCCCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000659826836 1073116317 /nfs/dbraw/zinc/11/63/17/1073116317.db2.gz QKKCGCHCRJVUQA-UHFFFAOYSA-N 1 0 395.522 -0.749 20 0 GBADRO C[C@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000659826837 530150527 /nfs/dbraw/zinc/15/05/27/530150527.db2.gz QNVKUECDLHBAQS-HOTGVXAUSA-N 1 0 376.523 -0.710 20 0 GBADRO C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000659826838 530150827 /nfs/dbraw/zinc/15/08/27/530150827.db2.gz QNVKUECDLHBAQS-HZPDHXFCSA-N 1 0 376.523 -0.710 20 0 GBADRO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000659826839 530151420 /nfs/dbraw/zinc/15/14/20/530151420.db2.gz QNVKUECDLHBAQS-IYBDPMFKSA-N 1 0 376.523 -0.710 20 0 GBADRO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000659837730 1073142546 /nfs/dbraw/zinc/14/25/46/1073142546.db2.gz HCTFCGQCWIMQJX-CALCHBBNSA-N 1 0 389.566 -0.795 20 0 GBADRO C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000659837733 1073142958 /nfs/dbraw/zinc/14/29/58/1073142958.db2.gz HCTFCGQCWIMQJX-IAGOWNOFSA-N 1 0 389.566 -0.795 20 0 GBADRO C[C@H]1C[NH+](CCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000659837734 1073142976 /nfs/dbraw/zinc/14/29/76/1073142976.db2.gz HCTFCGQCWIMQJX-IRXDYDNUSA-N 1 0 389.566 -0.795 20 0 GBADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659839755 1073148699 /nfs/dbraw/zinc/14/86/99/1073148699.db2.gz YDLVKWMAWWSWEJ-BBWFWOEESA-N 1 0 392.566 -0.341 20 0 GBADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659839756 1073148943 /nfs/dbraw/zinc/14/89/43/1073148943.db2.gz YDLVKWMAWWSWEJ-BRWVUGGUSA-N 1 0 392.566 -0.341 20 0 GBADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659839757 1073149111 /nfs/dbraw/zinc/14/91/11/1073149111.db2.gz YDLVKWMAWWSWEJ-IXDOHACOSA-N 1 0 392.566 -0.341 20 0 GBADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659839758 1073148803 /nfs/dbraw/zinc/14/88/03/1073148803.db2.gz YDLVKWMAWWSWEJ-ZACQAIPSSA-N 1 0 392.566 -0.341 20 0 GBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659840730 1073151091 /nfs/dbraw/zinc/15/10/91/1073151091.db2.gz JAXXRRKCTHHONJ-BRWVUGGUSA-N 1 0 392.500 -0.079 20 0 GBADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659840731 1073152002 /nfs/dbraw/zinc/15/20/02/1073152002.db2.gz JAXXRRKCTHHONJ-IKGGRYGDSA-N 1 0 392.500 -0.079 20 0 GBADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659840732 1073152029 /nfs/dbraw/zinc/15/20/29/1073152029.db2.gz JAXXRRKCTHHONJ-IXDOHACOSA-N 1 0 392.500 -0.079 20 0 GBADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659840733 1073152071 /nfs/dbraw/zinc/15/20/71/1073152071.db2.gz JAXXRRKCTHHONJ-ZACQAIPSSA-N 1 0 392.500 -0.079 20 0 GBADRO CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2C1 ZINC000659892217 1073242972 /nfs/dbraw/zinc/24/29/72/1073242972.db2.gz SXDIOCYSDJBYPM-UHFFFAOYSA-N 1 0 394.497 -0.057 20 0 GBADRO CC(C)O[C@@]1(CS(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CCOC1 ZINC000659892651 530151398 /nfs/dbraw/zinc/15/13/98/530151398.db2.gz YHLLCCZUKWSIJR-INIZCTEOSA-N 1 0 377.507 -0.394 20 0 GBADRO CC(C)O[C@]1(CS(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CCOC1 ZINC000659892652 530151280 /nfs/dbraw/zinc/15/12/80/530151280.db2.gz YHLLCCZUKWSIJR-MRXNPFEDSA-N 1 0 377.507 -0.394 20 0 GBADRO CC(C)O[C@]1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CCOC1 ZINC000659984329 530444377 /nfs/dbraw/zinc/44/43/77/530444377.db2.gz IHXQUHCSNBXBOL-GDBMZVCRSA-N 1 0 377.507 -0.048 20 0 GBADRO CC(C)O[C@]1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CCOC1 ZINC000659984330 530444348 /nfs/dbraw/zinc/44/43/48/530444348.db2.gz IHXQUHCSNBXBOL-GOEBONIOSA-N 1 0 377.507 -0.048 20 0 GBADRO CC(C)O[C@@]1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CCOC1 ZINC000659984331 530444147 /nfs/dbraw/zinc/44/41/47/530444147.db2.gz IHXQUHCSNBXBOL-HOCLYGCPSA-N 1 0 377.507 -0.048 20 0 GBADRO CC(C)O[C@@]1(CS(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CCOC1 ZINC000659984332 530444313 /nfs/dbraw/zinc/44/43/13/530444313.db2.gz IHXQUHCSNBXBOL-ZBFHGGJFSA-N 1 0 377.507 -0.048 20 0 GBADRO CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(CC[NH+](C)C)C(=O)C3)cc2C1 ZINC000659985346 1073266557 /nfs/dbraw/zinc/26/65/57/1073266557.db2.gz HTVAHXKOIBAWFK-UHFFFAOYSA-N 1 0 394.497 -0.057 20 0 GBADRO CC(C)O[C@@]1(CS(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000659985689 530152017 /nfs/dbraw/zinc/15/20/17/530152017.db2.gz QBXFWOHXZLDYJD-INIZCTEOSA-N 1 0 377.507 -0.394 20 0 GBADRO CC(C)O[C@]1(CS(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCOC1 ZINC000659985690 530151848 /nfs/dbraw/zinc/15/18/48/530151848.db2.gz QBXFWOHXZLDYJD-MRXNPFEDSA-N 1 0 377.507 -0.394 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000660089230 530152442 /nfs/dbraw/zinc/15/24/42/530152442.db2.gz AFSASFITPLHSPH-CYBMUJFWSA-N 1 0 389.499 -0.295 20 0 GBADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000660089232 530152463 /nfs/dbraw/zinc/15/24/63/530152463.db2.gz AFSASFITPLHSPH-ZDUSSCGKSA-N 1 0 389.499 -0.295 20 0 GBADRO O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660090453 1073288740 /nfs/dbraw/zinc/28/87/40/1073288740.db2.gz HXNAZTQUSJSOKA-HNNXBMFYSA-N 1 0 378.458 -0.118 20 0 GBADRO O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660090455 1073288581 /nfs/dbraw/zinc/28/85/81/1073288581.db2.gz HXNAZTQUSJSOKA-OAHLLOKOSA-N 1 0 378.458 -0.118 20 0 GBADRO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 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JXUWKTSJKPGRIP-GFCCVEGCSA-N 1 0 383.499 -0.014 20 0 GBADRO O=S(=O)(c1cccc2nsnc21)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662248816 530156273 /nfs/dbraw/zinc/15/62/73/530156273.db2.gz JXUWKTSJKPGRIP-LBPRGKRZSA-N 1 0 383.499 -0.014 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@H]4C[NH2+]CCO4)CC3)cc2[nH]1 ZINC000662249294 1073552950 /nfs/dbraw/zinc/55/29/50/1073552950.db2.gz SOAJCZJMWXUPEV-GFCCVEGCSA-N 1 0 381.458 -0.437 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C[C@@H]4C[NH2+]CCO4)CC3)cc2[nH]1 ZINC000662249295 1073552790 /nfs/dbraw/zinc/55/27/90/1073552790.db2.gz SOAJCZJMWXUPEV-LBPRGKRZSA-N 1 0 381.458 -0.437 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)o1 ZINC000662251251 1073552980 /nfs/dbraw/zinc/55/29/80/1073552980.db2.gz BILBWUHKGHWHQX-GFCCVEGCSA-N 1 0 384.458 -0.794 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)o1 ZINC000662251253 1073553065 /nfs/dbraw/zinc/55/30/65/1073553065.db2.gz BILBWUHKGHWHQX-LBPRGKRZSA-N 1 0 384.458 -0.794 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@@H](C)O1 ZINC000662252962 1073553076 /nfs/dbraw/zinc/55/30/76/1073553076.db2.gz RXYQVMMLKLKCOY-BZUAXINKSA-N 1 0 388.534 -0.521 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@@H](C)O1 ZINC000662252965 1073553132 /nfs/dbraw/zinc/55/31/32/1073553132.db2.gz RXYQVMMLKLKCOY-OAGGEKHMSA-N 1 0 388.534 -0.521 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@H](C)O1 ZINC000662252971 1073552697 /nfs/dbraw/zinc/55/26/97/1073552697.db2.gz RXYQVMMLKLKCOY-OWCLPIDISA-N 1 0 388.534 -0.521 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@H](C)O1 ZINC000662252975 1073553041 /nfs/dbraw/zinc/55/30/41/1073553041.db2.gz RXYQVMMLKLKCOY-XHSDSOJGSA-N 1 0 388.534 -0.521 20 0 GBADRO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@H]4C[NH2+]CCO4)CC3)cc2N1 ZINC000662253562 1073553641 /nfs/dbraw/zinc/55/36/41/1073553641.db2.gz ADRYWYKRXOMDOT-CYBMUJFWSA-N 1 0 396.469 -0.688 20 0 GBADRO O=C1COc2ccc(S(=O)(=O)N3CCN(C[C@@H]4C[NH2+]CCO4)CC3)cc2N1 ZINC000662253564 1073554034 /nfs/dbraw/zinc/55/40/34/1073554034.db2.gz ADRYWYKRXOMDOT-ZDUSSCGKSA-N 1 0 396.469 -0.688 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000662253935 1073554117 /nfs/dbraw/zinc/55/41/17/1073554117.db2.gz ZGBWOTKWGOCGGN-UHFFFAOYSA-N 1 0 393.557 -0.058 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662263274 1073554048 /nfs/dbraw/zinc/55/40/48/1073554048.db2.gz MWGFYTTYZUEPDS-KRWDZBQOSA-N 1 0 382.530 -0.121 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662263275 1073554339 /nfs/dbraw/zinc/55/43/39/1073554339.db2.gz MWGFYTTYZUEPDS-QGZVFWFLSA-N 1 0 382.530 -0.121 20 0 GBADRO Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H]4C[NH2+]CCO4)CC3)C2=O)n(C)n1 ZINC000662281191 1073555552 /nfs/dbraw/zinc/55/55/52/1073555552.db2.gz VTKLXPMOIWSBOR-DLBZAZTESA-N 1 0 376.505 -0.170 20 0 GBADRO Cc1cc(N2CCC[C@@H](N3CCN(C[C@H]4C[NH2+]CCO4)CC3)C2=O)n(C)n1 ZINC000662281192 1073555818 /nfs/dbraw/zinc/55/58/18/1073555818.db2.gz VTKLXPMOIWSBOR-IAGOWNOFSA-N 1 0 376.505 -0.170 20 0 GBADRO Cc1cc(N2CCC[C@H](N3CCN(C[C@@H]4C[NH2+]CCO4)CC3)C2=O)n(C)n1 ZINC000662281193 1073556033 /nfs/dbraw/zinc/55/60/33/1073556033.db2.gz VTKLXPMOIWSBOR-IRXDYDNUSA-N 1 0 376.505 -0.170 20 0 GBADRO Cc1cc(N2CCC[C@H](N3CCN(C[C@H]4C[NH2+]CCO4)CC3)C2=O)n(C)n1 ZINC000662281194 1073556054 /nfs/dbraw/zinc/55/60/54/1073556054.db2.gz VTKLXPMOIWSBOR-SJORKVTESA-N 1 0 376.505 -0.170 20 0 GBADRO O=C(CNC1(CO)CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000662285548 1073556695 /nfs/dbraw/zinc/55/66/95/1073556695.db2.gz DASAFMCNXDEWCJ-UHFFFAOYSA-N 1 0 396.513 -0.776 20 0 GBADRO O=S(=O)(c1ccc(OCCNC2(CO)CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000662285712 1073556178 /nfs/dbraw/zinc/55/61/78/1073556178.db2.gz OTBCYIHHERHGFJ-UHFFFAOYSA-N 1 0 399.513 -0.210 20 0 GBADRO Cc1ccc(NC(=O)CNC2(CO)CC[NH2+]CC2)cc1S(=O)(=O)N(C)C ZINC000662286344 1073556578 /nfs/dbraw/zinc/55/65/78/1073556578.db2.gz RZQPYLMGDFUWSB-UHFFFAOYSA-N 1 0 384.502 -0.112 20 0 GBADRO O=C(CNC1(CO)CC[NH2+]CC1)NCc1ccccc1CN1CCOCC1 ZINC000662287002 1073556077 /nfs/dbraw/zinc/55/60/77/1073556077.db2.gz PEOHUNXMQCWYNW-UHFFFAOYSA-N 1 0 376.501 -0.161 20 0 GBADRO O=C(CNC1(CO)CC[NH2+]CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000662287043 1073556111 /nfs/dbraw/zinc/55/61/11/1073556111.db2.gz QREPAQNSZCPHSO-UHFFFAOYSA-N 1 0 388.512 -0.030 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@H](O)CO ZINC000662287463 1073557408 /nfs/dbraw/zinc/55/74/08/1073557408.db2.gz AKAFUGDLZYSVBI-KRWDZBQOSA-N 1 0 384.908 -0.402 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@@H](O)CO ZINC000662287464 1073558961 /nfs/dbraw/zinc/55/89/61/1073558961.db2.gz AKAFUGDLZYSVBI-QGZVFWFLSA-N 1 0 384.908 -0.402 20 0 GBADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(CC[NH3+])C[C@@H](O)CO ZINC000662287595 1073557487 /nfs/dbraw/zinc/55/74/87/1073557487.db2.gz DRDAWPRLDZWVDD-CYBMUJFWSA-N 1 0 399.517 -0.580 20 0 GBADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(CC[NH3+])C[C@H](O)CO ZINC000662287596 1073557695 /nfs/dbraw/zinc/55/76/95/1073557695.db2.gz DRDAWPRLDZWVDD-ZDUSSCGKSA-N 1 0 399.517 -0.580 20 0 GBADRO [NH3+]CCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C[C@H](O)CO ZINC000662287955 1073556373 /nfs/dbraw/zinc/55/63/73/1073556373.db2.gz DGEITWHFRBGQPP-AWEZNQCLSA-N 1 0 376.457 -0.102 20 0 GBADRO [NH3+]CCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C[C@@H](O)CO ZINC000662287957 1073556413 /nfs/dbraw/zinc/55/64/13/1073556413.db2.gz DGEITWHFRBGQPP-CQSZACIVSA-N 1 0 376.457 -0.102 20 0 GBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662288224 1073556350 /nfs/dbraw/zinc/55/63/50/1073556350.db2.gz GIBRPXLKSMBZNY-KRWDZBQOSA-N 1 0 392.500 -0.670 20 0 GBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662288225 1073556565 /nfs/dbraw/zinc/55/65/65/1073556565.db2.gz GIBRPXLKSMBZNY-QGZVFWFLSA-N 1 0 392.500 -0.670 20 0 GBADRO CC(C)[C@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000662288242 1073556770 /nfs/dbraw/zinc/55/67/70/1073556770.db2.gz HENLYFAACNLFHQ-BEFAXECRSA-N 1 0 381.473 -0.115 20 0 GBADRO CC(C)[C@@H](NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000662288243 1073556591 /nfs/dbraw/zinc/55/65/91/1073556591.db2.gz HENLYFAACNLFHQ-DNVCBOLYSA-N 1 0 381.473 -0.115 20 0 GBADRO CC(C)[C@@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000662288244 1073556207 /nfs/dbraw/zinc/55/62/07/1073556207.db2.gz HENLYFAACNLFHQ-HNAYVOBHSA-N 1 0 381.473 -0.115 20 0 GBADRO CC(C)[C@H](NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000662288245 1073556718 /nfs/dbraw/zinc/55/67/18/1073556718.db2.gz HENLYFAACNLFHQ-KXBFYZLASA-N 1 0 381.473 -0.115 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C[C@@H](O)CO ZINC000662288262 1073556138 /nfs/dbraw/zinc/55/61/38/1073556138.db2.gz NDDNPXITVSJYAO-CYBMUJFWSA-N 1 0 393.423 -0.769 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C[C@H](O)CO ZINC000662288263 1073556167 /nfs/dbraw/zinc/55/61/67/1073556167.db2.gz NDDNPXITVSJYAO-ZDUSSCGKSA-N 1 0 393.423 -0.769 20 0 GBADRO [NH3+]CCN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H](O)CO ZINC000662288332 530156427 /nfs/dbraw/zinc/15/64/27/530156427.db2.gz PFMZKEPTMAETCZ-GFCCVEGCSA-N 1 0 381.292 -0.163 20 0 GBADRO [NH3+]CCN(CCS(=O)(=O)c1cccc(Br)c1)C[C@H](O)CO ZINC000662288333 530156332 /nfs/dbraw/zinc/15/63/32/530156332.db2.gz PFMZKEPTMAETCZ-LBPRGKRZSA-N 1 0 381.292 -0.163 20 0 GBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662288385 530156192 /nfs/dbraw/zinc/15/61/92/530156192.db2.gz HCYQPJDEDCICKV-JTQLQIEISA-N 1 0 379.866 -0.704 20 0 GBADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662288386 530156223 /nfs/dbraw/zinc/15/62/23/530156223.db2.gz HCYQPJDEDCICKV-SNVBAGLBSA-N 1 0 379.866 -0.704 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@@H](O)CO ZINC000662288763 1073557508 /nfs/dbraw/zinc/55/75/08/1073557508.db2.gz NPMXWCLENQRYDZ-CVEARBPZSA-N 1 0 379.457 -0.265 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C[C@H](O)CO ZINC000662288764 1073557469 /nfs/dbraw/zinc/55/74/69/1073557469.db2.gz NPMXWCLENQRYDZ-HOTGVXAUSA-N 1 0 379.457 -0.265 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@@H](O)CO ZINC000662288765 1073557477 /nfs/dbraw/zinc/55/74/77/1073557477.db2.gz NPMXWCLENQRYDZ-HZPDHXFCSA-N 1 0 379.457 -0.265 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C[C@H](O)CO ZINC000662288766 1073557118 /nfs/dbraw/zinc/55/71/18/1073557118.db2.gz NPMXWCLENQRYDZ-JKSUJKDBSA-N 1 0 379.457 -0.265 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C[C@H](O)CO ZINC000662288815 1073557497 /nfs/dbraw/zinc/55/74/97/1073557497.db2.gz LEAQTFDQANELNV-INIZCTEOSA-N 1 0 396.513 -0.572 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C[C@@H](O)CO ZINC000662288816 1073557394 /nfs/dbraw/zinc/55/73/94/1073557394.db2.gz LEAQTFDQANELNV-MRXNPFEDSA-N 1 0 396.513 -0.572 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@H](O)CO ZINC000662288861 1073557100 /nfs/dbraw/zinc/55/71/00/1073557100.db2.gz MMJWJBMLMZEGMT-KRWDZBQOSA-N 1 0 378.473 -0.979 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@@H](O)CO ZINC000662288862 1073557198 /nfs/dbraw/zinc/55/71/98/1073557198.db2.gz MMJWJBMLMZEGMT-QGZVFWFLSA-N 1 0 378.473 -0.979 20 0 GBADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)C1 ZINC000662289137 1073556323 /nfs/dbraw/zinc/55/63/23/1073556323.db2.gz PCEMVDZIWDZPTB-DOTOQJQBSA-N 1 0 384.521 -0.903 20 0 GBADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)C1 ZINC000662289138 1073556601 /nfs/dbraw/zinc/55/66/01/1073556601.db2.gz PCEMVDZIWDZPTB-NVXWUHKLSA-N 1 0 384.521 -0.903 20 0 GBADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)C1 ZINC000662289139 1073557705 /nfs/dbraw/zinc/55/77/05/1073557705.db2.gz PCEMVDZIWDZPTB-RDJZCZTQSA-N 1 0 384.521 -0.903 20 0 GBADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)C1 ZINC000662289140 1073557334 /nfs/dbraw/zinc/55/73/34/1073557334.db2.gz PCEMVDZIWDZPTB-WBVHZDCISA-N 1 0 384.521 -0.903 20 0 GBADRO Cc1cc(NC(=O)CN(CC[NH3+])C[C@H](O)CO)n(-c2nc(C)cc(C)n2)n1 ZINC000662289294 1073557641 /nfs/dbraw/zinc/55/76/41/1073557641.db2.gz TYFXSLOXAXIWIM-AWEZNQCLSA-N 1 0 377.449 -0.860 20 0 GBADRO Cc1cc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)n(-c2nc(C)cc(C)n2)n1 ZINC000662289295 1073557630 /nfs/dbraw/zinc/55/76/30/1073557630.db2.gz TYFXSLOXAXIWIM-CQSZACIVSA-N 1 0 377.449 -0.860 20 0 GBADRO [NH3+]CCN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H](O)CO ZINC000662289359 530156293 /nfs/dbraw/zinc/15/62/93/530156293.db2.gz VIXBFQKAGSIJTR-GFCCVEGCSA-N 1 0 381.292 -0.163 20 0 GBADRO [NH3+]CCN(CCS(=O)(=O)c1ccc(Br)cc1)C[C@H](O)CO ZINC000662289360 530156581 /nfs/dbraw/zinc/15/65/81/530156581.db2.gz VIXBFQKAGSIJTR-LBPRGKRZSA-N 1 0 381.292 -0.163 20 0 GBADRO [NH3+]CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H](O)CO ZINC000662289400 1073557602 /nfs/dbraw/zinc/55/76/02/1073557602.db2.gz QEJINYAIJPUAED-INIZCTEOSA-N 1 0 393.484 -0.043 20 0 GBADRO [NH3+]CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H](O)CO ZINC000662289401 1073557542 /nfs/dbraw/zinc/55/75/42/1073557542.db2.gz QEJINYAIJPUAED-MRXNPFEDSA-N 1 0 393.484 -0.043 20 0 GBADRO [NH3+]CCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@H](O)CO ZINC000662289406 1073557128 /nfs/dbraw/zinc/55/71/28/1073557128.db2.gz QKPBFUOEFLIBTJ-KRWDZBQOSA-N 1 0 378.473 -0.847 20 0 GBADRO [NH3+]CCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C[C@@H](O)CO ZINC000662289407 1073557058 /nfs/dbraw/zinc/55/70/58/1073557058.db2.gz QKPBFUOEFLIBTJ-QGZVFWFLSA-N 1 0 378.473 -0.847 20 0 GBADRO [NH3+]CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@@H](O)CO ZINC000662289418 1073557553 /nfs/dbraw/zinc/55/75/53/1073557553.db2.gz QUMIRGNMPPHCHE-CYBMUJFWSA-N 1 0 383.449 -0.279 20 0 GBADRO [NH3+]CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@H](O)CO ZINC000662289419 1073557665 /nfs/dbraw/zinc/55/76/65/1073557665.db2.gz QUMIRGNMPPHCHE-ZDUSSCGKSA-N 1 0 383.449 -0.279 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@H](O)CO ZINC000662289484 1073557177 /nfs/dbraw/zinc/55/71/77/1073557177.db2.gz SNNLRFURRSCFMN-KRWDZBQOSA-N 1 0 384.521 -0.759 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C[C@@H](O)CO ZINC000662289485 1073557305 /nfs/dbraw/zinc/55/73/05/1073557305.db2.gz SNNLRFURRSCFMN-QGZVFWFLSA-N 1 0 384.521 -0.759 20 0 GBADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289670 1073557377 /nfs/dbraw/zinc/55/73/77/1073557377.db2.gz VDDOHKUHOYVPPH-PBHICJAKSA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289671 1073557353 /nfs/dbraw/zinc/55/73/53/1073557353.db2.gz VDDOHKUHOYVPPH-RHSMWYFYSA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662289672 1073557146 /nfs/dbraw/zinc/55/71/46/1073557146.db2.gz VDDOHKUHOYVPPH-WMLDXEAASA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000662289673 1073557189 /nfs/dbraw/zinc/55/71/89/1073557189.db2.gz VDDOHKUHOYVPPH-YOEHRIQHSA-N 1 0 381.473 -0.019 20 0 GBADRO Cc1ccc(CNC(=O)c2nnc(CN(CC[NH3+])C[C@H](O)CO)s2)cc1 ZINC000662289815 1073557111 /nfs/dbraw/zinc/55/71/11/1073557111.db2.gz WKQYKKIWCBHGFQ-AWEZNQCLSA-N 1 0 379.486 -0.110 20 0 GBADRO Cc1ccc(CNC(=O)c2nnc(CN(CC[NH3+])C[C@@H](O)CO)s2)cc1 ZINC000662289816 1073557071 /nfs/dbraw/zinc/55/70/71/1073557071.db2.gz WKQYKKIWCBHGFQ-CQSZACIVSA-N 1 0 379.486 -0.110 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H](O)CO ZINC000662289825 1073557459 /nfs/dbraw/zinc/55/74/59/1073557459.db2.gz WNTPIIOOINHGGD-KRWDZBQOSA-N 1 0 378.473 -0.522 20 0 GBADRO [NH3+]CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H](O)CO ZINC000662289826 1073557085 /nfs/dbraw/zinc/55/70/85/1073557085.db2.gz WNTPIIOOINHGGD-QGZVFWFLSA-N 1 0 378.473 -0.522 20 0 GBADRO COc1ccc([C@@H]2CCCN2C(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1OC ZINC000662289835 1073557091 /nfs/dbraw/zinc/55/70/91/1073557091.db2.gz WYHYALAQAKYDBP-CVEARBPZSA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc([C@@H]2CCCN2C(=O)CN(CC[NH3+])C[C@H](O)CO)cc1OC ZINC000662289836 1073557208 /nfs/dbraw/zinc/55/72/08/1073557208.db2.gz WYHYALAQAKYDBP-HOTGVXAUSA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc([C@H]2CCCN2C(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1OC ZINC000662289837 1073557655 /nfs/dbraw/zinc/55/76/55/1073557655.db2.gz WYHYALAQAKYDBP-HZPDHXFCSA-N 1 0 381.473 -0.019 20 0 GBADRO COc1ccc([C@H]2CCCN2C(=O)CN(CC[NH3+])C[C@H](O)CO)cc1OC ZINC000662289838 1073557424 /nfs/dbraw/zinc/55/74/24/1073557424.db2.gz WYHYALAQAKYDBP-JKSUJKDBSA-N 1 0 381.473 -0.019 20 0 GBADRO [NH3+]CCN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@H](O)CO ZINC000662289845 1073557283 /nfs/dbraw/zinc/55/72/83/1073557283.db2.gz XBQPRFHSBPGFLU-KRWDZBQOSA-N 1 0 384.521 -0.712 20 0 GBADRO [NH3+]CCN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C[C@@H](O)CO ZINC000662289846 1073557545 /nfs/dbraw/zinc/55/75/45/1073557545.db2.gz XBQPRFHSBPGFLU-QGZVFWFLSA-N 1 0 384.521 -0.712 20 0 GBADRO CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000662292873 1073558824 /nfs/dbraw/zinc/55/88/24/1073558824.db2.gz BKWXSOHWORDQQC-UHFFFAOYSA-N 1 0 398.529 -0.007 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295390 1073558682 /nfs/dbraw/zinc/55/86/82/1073558682.db2.gz ZUYGOIHYGZUUBH-GXTWGEPZSA-N 1 0 377.489 -0.051 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295391 1073558699 /nfs/dbraw/zinc/55/86/99/1073558699.db2.gz ZUYGOIHYGZUUBH-JSGCOSHPSA-N 1 0 377.489 -0.051 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295392 1073558509 /nfs/dbraw/zinc/55/85/09/1073558509.db2.gz ZUYGOIHYGZUUBH-OCCSQVGLSA-N 1 0 377.489 -0.051 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295393 1073558490 /nfs/dbraw/zinc/55/84/90/1073558490.db2.gz ZUYGOIHYGZUUBH-TZMCWYRMSA-N 1 0 377.489 -0.051 20 0 GBADRO CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)CC(C)(C)[NH3+] ZINC000662297296 1073558199 /nfs/dbraw/zinc/55/81/99/1073558199.db2.gz JHEQWPOQTLLHKH-UHFFFAOYSA-N 1 0 398.529 -0.007 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)CC(C)(C)[NH3+])CC1 ZINC000662297768 1073558623 /nfs/dbraw/zinc/55/86/23/1073558623.db2.gz QVYPMHJQFRHFRG-UHFFFAOYSA-N 1 0 387.506 -0.207 20 0 GBADRO Cn1c(=O)c(C(=O)CN2CC3CC2(C[NH3+])C3)c(N)n(Cc2ccccc2)c1=O ZINC000662304790 1073559590 /nfs/dbraw/zinc/55/95/90/1073559590.db2.gz BRQQYFRISSKKCA-UHFFFAOYSA-N 1 0 383.452 -0.217 20 0 GBADRO [NH3+]CC12CC(C1)CN2CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000662306505 1073559721 /nfs/dbraw/zinc/55/97/21/1073559721.db2.gz ARBAHYDTXFZDLJ-UHFFFAOYSA-N 1 0 378.498 -0.057 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC3CC2(C[NH3+])C3)CC1 ZINC000662307912 1073559746 /nfs/dbraw/zinc/55/97/46/1073559746.db2.gz SKJXAEWTPKYKRR-UHFFFAOYSA-N 1 0 397.501 -0.453 20 0 GBADRO CN(CCCNC(=O)CN1CCO[C@@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318932 530156573 /nfs/dbraw/zinc/15/65/73/530156573.db2.gz BLTFYCNZDOPZFS-HNNXBMFYSA-N 1 0 378.539 -0.573 20 0 GBADRO CN(CCCNC(=O)CN1CCO[C@H](CCC[NH+](C)C)C1)S(C)(=O)=O ZINC000662318933 530156256 /nfs/dbraw/zinc/15/62/56/530156256.db2.gz BLTFYCNZDOPZFS-OAHLLOKOSA-N 1 0 378.539 -0.573 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320075 1073560857 /nfs/dbraw/zinc/56/08/57/1073560857.db2.gz DPOSNXXSIIRTKW-CHWSQXEVSA-N 1 0 381.477 -0.720 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320077 1073560975 /nfs/dbraw/zinc/56/09/75/1073560975.db2.gz DPOSNXXSIIRTKW-OLZOCXBDSA-N 1 0 381.477 -0.720 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320079 1073560837 /nfs/dbraw/zinc/56/08/37/1073560837.db2.gz DPOSNXXSIIRTKW-QWHCGFSZSA-N 1 0 381.477 -0.720 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320081 1073560424 /nfs/dbraw/zinc/56/04/24/1073560424.db2.gz DPOSNXXSIIRTKW-STQMWFEESA-N 1 0 381.477 -0.720 20 0 GBADRO [NH3+][C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662320120 530156284 /nfs/dbraw/zinc/15/62/84/530156284.db2.gz FFWZDBXNDFVXPI-BYNSBNAKSA-N 1 0 377.482 -0.448 20 0 GBADRO [NH3+][C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662320122 530156602 /nfs/dbraw/zinc/15/66/02/530156602.db2.gz FFWZDBXNDFVXPI-GBJTYRQASA-N 1 0 377.482 -0.448 20 0 GBADRO [NH3+][C@@H]1CN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662320124 530156449 /nfs/dbraw/zinc/15/64/49/530156449.db2.gz FFWZDBXNDFVXPI-KBUPBQIOSA-N 1 0 377.482 -0.448 20 0 GBADRO [NH3+][C@@H]1CN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC[C@H]1F ZINC000662320127 530156465 /nfs/dbraw/zinc/15/64/65/530156465.db2.gz FFWZDBXNDFVXPI-LXTVHRRPSA-N 1 0 377.482 -0.448 20 0 GBADRO Cn1c2ncn(CCN3CCO[C@@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320167 1073560810 /nfs/dbraw/zinc/56/08/10/1073560810.db2.gz FRPTZKUREBXUQM-AWEZNQCLSA-N 1 0 378.477 -0.524 20 0 GBADRO Cn1c2ncn(CCN3CCO[C@H](CCC[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000662320171 1073560476 /nfs/dbraw/zinc/56/04/76/1073560476.db2.gz FRPTZKUREBXUQM-CQSZACIVSA-N 1 0 378.477 -0.524 20 0 GBADRO COCCn1c(N)c(C(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)c(=O)[nH]c1=O ZINC000662320611 1073560806 /nfs/dbraw/zinc/56/08/06/1073560806.db2.gz IAYUNKFIGSYAHU-CYBMUJFWSA-N 1 0 397.476 -0.597 20 0 GBADRO COCCn1c(N)c(C(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)c(=O)[nH]c1=O ZINC000662320640 1073561041 /nfs/dbraw/zinc/56/10/41/1073561041.db2.gz IAYUNKFIGSYAHU-ZDUSSCGKSA-N 1 0 397.476 -0.597 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662320878 1073560592 /nfs/dbraw/zinc/56/05/92/1073560592.db2.gz XPQZFBVBDPYHSJ-KRWDZBQOSA-N 1 0 383.537 -0.739 20 0 GBADRO CN(C)C(=O)CN1CCN(C(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662320879 1073561121 /nfs/dbraw/zinc/56/11/21/1073561121.db2.gz XPQZFBVBDPYHSJ-QGZVFWFLSA-N 1 0 383.537 -0.739 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662322346 1073560865 /nfs/dbraw/zinc/56/08/65/1073560865.db2.gz GXBFHAWEANHLFR-ZIAGYGMSSA-N 1 0 376.440 -0.617 20 0 GBADRO Cn1cnc2c1c(=O)n(CCCN1CCO[C@@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322701 1073560783 /nfs/dbraw/zinc/56/07/83/1073560783.db2.gz NBRNZMBLEYMGOC-HNNXBMFYSA-N 1 0 392.504 -0.134 20 0 GBADRO Cn1cnc2c1c(=O)n(CCCN1CCO[C@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322704 1073560520 /nfs/dbraw/zinc/56/05/20/1073560520.db2.gz NBRNZMBLEYMGOC-OAHLLOKOSA-N 1 0 392.504 -0.134 20 0 GBADRO [NH3+][C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1F ZINC000662322726 1073560843 /nfs/dbraw/zinc/56/08/43/1073560843.db2.gz XJURUYDGCUXFHB-HZPDHXFCSA-N 1 0 384.477 -0.109 20 0 GBADRO Cn1c(=O)c(C(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)c(N)n(Cc2ccccc2)c1=O ZINC000662324524 1073560992 /nfs/dbraw/zinc/56/09/92/1073560992.db2.gz XMZPYWXAMQDLPX-ZIAGYGMSSA-N 1 0 389.431 -0.269 20 0 GBADRO CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662328309 1073561709 /nfs/dbraw/zinc/56/17/09/1073561709.db2.gz DJHFLDWAUOFKMQ-GFCCVEGCSA-N 1 0 381.443 -0.133 20 0 GBADRO CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328312 1073561755 /nfs/dbraw/zinc/56/17/55/1073561755.db2.gz DJHFLDWAUOFKMQ-LBPRGKRZSA-N 1 0 381.443 -0.133 20 0 GBADRO CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662328355 530156296 /nfs/dbraw/zinc/15/62/96/530156296.db2.gz QEYDWLDDUYDBMY-GFCCVEGCSA-N 1 0 382.408 -0.186 20 0 GBADRO CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328364 530156211 /nfs/dbraw/zinc/15/62/11/530156211.db2.gz QEYDWLDDUYDBMY-LBPRGKRZSA-N 1 0 382.408 -0.186 20 0 GBADRO COCCN(C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000662328512 530156413 /nfs/dbraw/zinc/15/64/13/530156413.db2.gz CSUCRADPBPTHEQ-GHMZBOCLSA-N 1 0 375.413 -0.530 20 0 GBADRO COCCN(C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000662328624 530156360 /nfs/dbraw/zinc/15/63/60/530156360.db2.gz CSUCRADPBPTHEQ-MNOVXSKESA-N 1 0 375.413 -0.530 20 0 GBADRO COCCN(C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000662328627 530075816 /nfs/dbraw/zinc/07/58/16/530075816.db2.gz CSUCRADPBPTHEQ-QWRGUYRKSA-N 1 0 375.413 -0.530 20 0 GBADRO COCCN(C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000662328633 530075800 /nfs/dbraw/zinc/07/58/00/530075800.db2.gz CSUCRADPBPTHEQ-WDEREUQCSA-N 1 0 375.413 -0.530 20 0 GBADRO CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329799 530156173 /nfs/dbraw/zinc/15/61/73/530156173.db2.gz QIFHNFWEJWFIQK-NEPJUHHUSA-N 1 0 386.440 -0.861 20 0 GBADRO CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662329800 530156486 /nfs/dbraw/zinc/15/64/86/530156486.db2.gz QIFHNFWEJWFIQK-NWDGAFQWSA-N 1 0 386.440 -0.861 20 0 GBADRO CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329801 530156215 /nfs/dbraw/zinc/15/62/15/530156215.db2.gz QIFHNFWEJWFIQK-RYUDHWBXSA-N 1 0 386.440 -0.861 20 0 GBADRO CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662329802 530156163 /nfs/dbraw/zinc/15/61/63/530156163.db2.gz QIFHNFWEJWFIQK-VXGBXAGGSA-N 1 0 386.440 -0.861 20 0 GBADRO CC(C)N(CCCNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)S(C)(=O)=O ZINC000662329975 530156569 /nfs/dbraw/zinc/15/65/69/530156569.db2.gz SRWPJNKIQGXMEN-LLVKDONJSA-N 1 0 376.445 -0.016 20 0 GBADRO CC(C)N(CCCNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)S(C)(=O)=O ZINC000662329976 530156440 /nfs/dbraw/zinc/15/64/40/530156440.db2.gz SRWPJNKIQGXMEN-NSHDSACASA-N 1 0 376.445 -0.016 20 0 GBADRO CC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)c(=O)n(C)c1=O ZINC000662332235 1073560418 /nfs/dbraw/zinc/56/04/18/1073560418.db2.gz ORNKDARIQYUQIA-JTQLQIEISA-N 1 0 379.383 -0.211 20 0 GBADRO CC(C)Cn1c(N)c(C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)c(=O)n(C)c1=O ZINC000662332237 1073560951 /nfs/dbraw/zinc/56/09/51/1073560951.db2.gz ORNKDARIQYUQIA-SNVBAGLBSA-N 1 0 379.383 -0.211 20 0 GBADRO Cn1c(=O)cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336171 1073560387 /nfs/dbraw/zinc/56/03/87/1073560387.db2.gz XFBZYVFDVYEEKJ-AWEZNQCLSA-N 1 0 387.488 -0.404 20 0 GBADRO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336174 1073560758 /nfs/dbraw/zinc/56/07/58/1073560758.db2.gz XFBZYVFDVYEEKJ-CQSZACIVSA-N 1 0 387.488 -0.404 20 0 GBADRO O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662341712 1073560611 /nfs/dbraw/zinc/56/06/11/1073560611.db2.gz UBHJDXFSBMWKRL-GDBMZVCRSA-N 1 0 377.489 -0.007 20 0 GBADRO O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662341713 1073560409 /nfs/dbraw/zinc/56/04/09/1073560409.db2.gz UBHJDXFSBMWKRL-GOEBONIOSA-N 1 0 377.489 -0.007 20 0 GBADRO O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662341714 1073562131 /nfs/dbraw/zinc/56/21/31/1073562131.db2.gz UBHJDXFSBMWKRL-HOCLYGCPSA-N 1 0 377.489 -0.007 20 0 GBADRO O=C(CN1CCN(C2CC2)C1=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662341716 1073561840 /nfs/dbraw/zinc/56/18/40/1073561840.db2.gz UBHJDXFSBMWKRL-ZBFHGGJFSA-N 1 0 377.489 -0.007 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn1 ZINC000662351852 1073561962 /nfs/dbraw/zinc/56/19/62/1073561962.db2.gz RKVBJKWRUNJJTD-UHFFFAOYSA-N 1 0 375.408 -0.228 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 ZINC000662354788 1073561609 /nfs/dbraw/zinc/56/16/09/1073561609.db2.gz YYHVXBGVVYJRNR-UHFFFAOYSA-N 1 0 394.457 -0.812 20 0 GBADRO O=C(CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1)N1CCCCC1 ZINC000662354878 1073561552 /nfs/dbraw/zinc/56/15/52/1073561552.db2.gz FNXFKPYMKFMREY-UHFFFAOYSA-N 1 0 389.504 -0.027 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1)N1CCOCC1 ZINC000662355337 1073561721 /nfs/dbraw/zinc/56/17/21/1073561721.db2.gz GUCHHYMYKRZRTK-UHFFFAOYSA-N 1 0 392.481 -0.463 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662355356 1073561884 /nfs/dbraw/zinc/56/18/84/1073561884.db2.gz HLWLSZADNNBNGQ-UHFFFAOYSA-N 1 0 377.445 -0.049 20 0 GBADRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000662355376 1073561563 /nfs/dbraw/zinc/56/15/63/1073561563.db2.gz IFFNBIXQCYEWRN-KRWDZBQOSA-N 1 0 386.452 -0.249 20 0 GBADRO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000662355379 1073562181 /nfs/dbraw/zinc/56/21/81/1073562181.db2.gz IFFNBIXQCYEWRN-QGZVFWFLSA-N 1 0 386.452 -0.249 20 0 GBADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662355892 1073562037 /nfs/dbraw/zinc/56/20/37/1073562037.db2.gz MIKTXBODGCWEOP-GASCZTMLSA-N 1 0 377.493 -0.501 20 0 GBADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662355896 1073561741 /nfs/dbraw/zinc/56/17/41/1073561741.db2.gz MIKTXBODGCWEOP-GJZGRUSLSA-N 1 0 377.493 -0.501 20 0 GBADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662355899 1073562022 /nfs/dbraw/zinc/56/20/22/1073562022.db2.gz MIKTXBODGCWEOP-HUUCEWRRSA-N 1 0 377.493 -0.501 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662356298 1073562104 /nfs/dbraw/zinc/56/21/04/1073562104.db2.gz QPVVQCXFOUYZJI-UHFFFAOYSA-N 1 0 377.493 -0.171 20 0 GBADRO [NH3+]CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)nn1 ZINC000662357184 1073561867 /nfs/dbraw/zinc/56/18/67/1073561867.db2.gz XZJHUAUDNJWCJT-UHFFFAOYSA-N 1 0 380.430 -0.021 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662364038 1073562052 /nfs/dbraw/zinc/56/20/52/1073562052.db2.gz CKABSHKPPTULPB-AWEZNQCLSA-N 1 0 376.461 -0.897 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662364039 1073561686 /nfs/dbraw/zinc/56/16/86/1073561686.db2.gz CKABSHKPPTULPB-CQSZACIVSA-N 1 0 376.461 -0.897 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662364886 1073561851 /nfs/dbraw/zinc/56/18/51/1073561851.db2.gz MBFIGJMSTJGZPD-UHFFFAOYSA-N 1 0 391.472 -0.242 20 0 GBADRO O=C(NCCCN1CCN(c2ncccn2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662372225 1073561765 /nfs/dbraw/zinc/56/17/65/1073561765.db2.gz VGYPHQQVYXQYPN-UHFFFAOYSA-N 1 0 399.503 -0.065 20 0 GBADRO O=C(NCCNS(=O)(=O)c1ccccc1)c1cnnn1C1CC[NH2+]CC1 ZINC000662374395 1073562154 /nfs/dbraw/zinc/56/21/54/1073562154.db2.gz MZUIXNUFBHZYJQ-UHFFFAOYSA-N 1 0 378.458 -0.089 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662377336 1073561581 /nfs/dbraw/zinc/56/15/81/1073561581.db2.gz XAGYTPKHRFKOMZ-AWEZNQCLSA-N 1 0 377.493 -0.125 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662377337 1073562031 /nfs/dbraw/zinc/56/20/31/1073562031.db2.gz XAGYTPKHRFKOMZ-CQSZACIVSA-N 1 0 377.493 -0.125 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000662380091 1073561794 /nfs/dbraw/zinc/56/17/94/1073561794.db2.gz USXBMUANKBJYJQ-KFWWJZLASA-N 1 0 392.522 -0.763 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000662380094 1073561816 /nfs/dbraw/zinc/56/18/16/1073561816.db2.gz USXBMUANKBJYJQ-KKUMJFAQSA-N 1 0 392.522 -0.763 20 0 GBADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000662380096 1073562086 /nfs/dbraw/zinc/56/20/86/1073562086.db2.gz USXBMUANKBJYJQ-ZNMIVQPWSA-N 1 0 392.522 -0.763 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1 ZINC000662381508 1073561538 /nfs/dbraw/zinc/56/15/38/1073561538.db2.gz UXPFEJKTKQSYDH-UHFFFAOYSA-N 1 0 396.448 -0.041 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)CC1 ZINC000662382710 1073563212 /nfs/dbraw/zinc/56/32/12/1073563212.db2.gz ASHQWEKSSJFIJY-UHFFFAOYSA-N 1 0 393.513 -0.460 20 0 GBADRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000662382783 1073563255 /nfs/dbraw/zinc/56/32/55/1073563255.db2.gz BGPMBJPDSUOGAV-INIZCTEOSA-N 1 0 389.566 -0.366 20 0 GBADRO O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662386903 1073563014 /nfs/dbraw/zinc/56/30/14/1073563014.db2.gz APQRJINNWGNACI-UHFFFAOYSA-N 1 0 375.429 -0.295 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000662387462 1073563380 /nfs/dbraw/zinc/56/33/80/1073563380.db2.gz FAXXZQKBGVOIIW-UHFFFAOYSA-N 1 0 389.435 -0.155 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)nn1 ZINC000662388411 1073562985 /nfs/dbraw/zinc/56/29/85/1073562985.db2.gz OFUADTRKASWRGV-UHFFFAOYSA-N 1 0 383.456 -0.416 20 0 GBADRO COCCNS(=O)(=O)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662390978 1073563463 /nfs/dbraw/zinc/56/34/63/1073563463.db2.gz RKPVAXPJXJMKQR-UHFFFAOYSA-N 1 0 382.446 -0.909 20 0 GBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662391328 1073562722 /nfs/dbraw/zinc/56/27/22/1073562722.db2.gz YWVANFPFKFJSFL-HNNXBMFYSA-N 1 0 396.451 -0.011 20 0 GBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662391329 1073562979 /nfs/dbraw/zinc/56/29/79/1073562979.db2.gz YWVANFPFKFJSFL-OAHLLOKOSA-N 1 0 396.451 -0.011 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662396917 1073563061 /nfs/dbraw/zinc/56/30/61/1073563061.db2.gz PIJQFEBKMZETNX-UHFFFAOYSA-N 1 0 390.465 -0.173 20 0 GBADRO Cn1cc(C(=O)NCCN2CC[NH2+]CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000662400036 1073562692 /nfs/dbraw/zinc/56/26/92/1073562692.db2.gz GVVAQXKCLKISJW-UHFFFAOYSA-N 1 0 396.451 -0.149 20 0 GBADRO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400725 1073563192 /nfs/dbraw/zinc/56/31/92/1073563192.db2.gz DDEBADDBXMPSAB-GFCCVEGCSA-N 1 0 384.458 -0.481 20 0 GBADRO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662400726 1073563138 /nfs/dbraw/zinc/56/31/38/1073563138.db2.gz DDEBADDBXMPSAB-LBPRGKRZSA-N 1 0 384.458 -0.481 20 0 GBADRO CC(C)(C)n1nnc(CC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)n1 ZINC000662401981 1073563547 /nfs/dbraw/zinc/56/35/47/1073563547.db2.gz DJEXUJDFRHUZAA-UHFFFAOYSA-N 1 0 381.462 -0.154 20 0 GBADRO O=C(CC1(n2cnnn2)CCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662402113 1073562994 /nfs/dbraw/zinc/56/29/94/1073562994.db2.gz XEWJEIKUMUQQHK-HNNXBMFYSA-N 1 0 391.476 -0.761 20 0 GBADRO O=C(CC1(n2cnnn2)CCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662402114 1073563433 /nfs/dbraw/zinc/56/34/33/1073563433.db2.gz XEWJEIKUMUQQHK-OAHLLOKOSA-N 1 0 391.476 -0.761 20 0 GBADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CN2CCN(C3CC3)C2=O)c1 ZINC000662402596 1073562590 /nfs/dbraw/zinc/56/25/90/1073562590.db2.gz LHUXAWQSQVNXJK-UHFFFAOYSA-N 1 0 381.458 -0.238 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662402890 1073563162 /nfs/dbraw/zinc/56/31/62/1073563162.db2.gz FRVHQMZSBFPTPI-UHFFFAOYSA-N 1 0 385.490 -0.551 20 0 GBADRO CN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H]1c1cccnc1 ZINC000662404747 1073563418 /nfs/dbraw/zinc/56/34/18/1073563418.db2.gz JCCAWDHHKOUUAW-OIISXLGYSA-N 1 0 389.456 -0.707 20 0 GBADRO CN1C(=O)CO[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H]1c1cccnc1 ZINC000662404750 1073563184 /nfs/dbraw/zinc/56/31/84/1073563184.db2.gz JCCAWDHHKOUUAW-UAGQMJEPSA-N 1 0 389.456 -0.707 20 0 GBADRO CN1C(=O)CO[C@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)[C@H]1c1cccnc1 ZINC000662426182 1073564556 /nfs/dbraw/zinc/56/45/56/1073564556.db2.gz NSKDGSLZNBIDTI-KGLIPLIRSA-N 1 0 386.416 -0.854 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1 ZINC000662433685 1073565465 /nfs/dbraw/zinc/56/54/65/1073565465.db2.gz PDMFSFVPQPUAPI-UHFFFAOYSA-N 1 0 391.863 -0.031 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000662438239 1073565285 /nfs/dbraw/zinc/56/52/85/1073565285.db2.gz NYVYLZAKFVBNTO-UHFFFAOYSA-N 1 0 391.863 -0.031 20 0 GBADRO O=C(N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1(O)C[NH2+]C1 ZINC000662439614 1073566998 /nfs/dbraw/zinc/56/69/98/1073566998.db2.gz OAWPNMNZHHGNDK-UHFFFAOYSA-N 1 0 393.387 -0.127 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662439745 1073566933 /nfs/dbraw/zinc/56/69/33/1073566933.db2.gz SRGQNGQCFRYEFR-CVEARBPZSA-N 1 0 383.470 -0.108 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662439753 1073566318 /nfs/dbraw/zinc/56/63/18/1073566318.db2.gz SRGQNGQCFRYEFR-HOTGVXAUSA-N 1 0 383.470 -0.108 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662439754 1073566963 /nfs/dbraw/zinc/56/69/63/1073566963.db2.gz SRGQNGQCFRYEFR-HZPDHXFCSA-N 1 0 383.470 -0.108 20 0 GBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662439755 1073566153 /nfs/dbraw/zinc/56/61/53/1073566153.db2.gz SRGQNGQCFRYEFR-JKSUJKDBSA-N 1 0 383.470 -0.108 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662441195 1073566637 /nfs/dbraw/zinc/56/66/37/1073566637.db2.gz CAONDNBZUSJNPJ-AWEZNQCLSA-N 1 0 384.502 -0.004 20 0 GBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662442001 530156447 /nfs/dbraw/zinc/15/64/47/530156447.db2.gz GYBUDAWZNDQPOP-GWCFXTLKSA-N 1 0 385.408 -0.320 20 0 GBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662442002 530156303 /nfs/dbraw/zinc/15/63/03/530156303.db2.gz GYBUDAWZNDQPOP-GXFFZTMASA-N 1 0 385.408 -0.320 20 0 GBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662442003 530156470 /nfs/dbraw/zinc/15/64/70/530156470.db2.gz GYBUDAWZNDQPOP-MFKMUULPSA-N 1 0 385.408 -0.320 20 0 GBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662442004 530156220 /nfs/dbraw/zinc/15/62/20/530156220.db2.gz GYBUDAWZNDQPOP-ZWNOBZJWSA-N 1 0 385.408 -0.320 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662442092 1073566571 /nfs/dbraw/zinc/56/65/71/1073566571.db2.gz PTTIZNWEEIBGDS-UHFFFAOYSA-N 1 0 393.473 -0.893 20 0 GBADRO CC1CCC(NC(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)CC1 ZINC000662443664 1073566794 /nfs/dbraw/zinc/56/67/94/1073566794.db2.gz VVFRXSLBVQIUBM-UHFFFAOYSA-N 1 0 377.493 -0.311 20 0 GBADRO CN(C(=O)CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1)C1CCCCC1 ZINC000662444909 1073566856 /nfs/dbraw/zinc/56/68/56/1073566856.db2.gz NFBFGGDMLQYNNT-UHFFFAOYSA-N 1 0 377.493 -0.214 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662445791 1073566200 /nfs/dbraw/zinc/56/62/00/1073566200.db2.gz SGZBWWABGWXFMR-CABCVRRESA-N 1 0 392.504 -0.214 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662445792 1073566213 /nfs/dbraw/zinc/56/62/13/1073566213.db2.gz SGZBWWABGWXFMR-GJZGRUSLSA-N 1 0 392.504 -0.214 20 0 GBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662445793 1073566141 /nfs/dbraw/zinc/56/61/41/1073566141.db2.gz SGZBWWABGWXFMR-HUUCEWRRSA-N 1 0 392.504 -0.214 20 0 GBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662445798 1073566952 /nfs/dbraw/zinc/56/69/52/1073566952.db2.gz SGZBWWABGWXFMR-LSDHHAIUSA-N 1 0 392.504 -0.214 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 ZINC000662447248 1073566563 /nfs/dbraw/zinc/56/65/63/1073566563.db2.gz YCFJDNDMKDORTI-CYBMUJFWSA-N 1 0 396.448 -0.041 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 ZINC000662447249 1073566226 /nfs/dbraw/zinc/56/62/26/1073566226.db2.gz YCFJDNDMKDORTI-ZDUSSCGKSA-N 1 0 396.448 -0.041 20 0 GBADRO O=C(N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)C1(O)C[NH2+]C1 ZINC000662447714 1073566333 /nfs/dbraw/zinc/56/63/33/1073566333.db2.gz DRNDJTSJHSNNEG-UHFFFAOYSA-N 1 0 389.843 -0.131 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000662449150 1073566167 /nfs/dbraw/zinc/56/61/67/1073566167.db2.gz VYKGZIYLKDQZBU-FZMZJTMJSA-N 1 0 386.474 -0.210 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000662449153 1073566520 /nfs/dbraw/zinc/56/65/20/1073566520.db2.gz VYKGZIYLKDQZBU-RISCZKNCSA-N 1 0 386.474 -0.210 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCSCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662450081 530156534 /nfs/dbraw/zinc/15/65/34/530156534.db2.gz FWFSVKRPANHEIL-UHFFFAOYSA-N 1 0 388.519 -0.689 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662450445 1073566242 /nfs/dbraw/zinc/56/62/42/1073566242.db2.gz QKVQXFFEEDSKPG-UHFFFAOYSA-N 1 0 377.445 -0.048 20 0 GBADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662450741 1073567561 /nfs/dbraw/zinc/56/75/61/1073567561.db2.gz DWYXNPOLICGSOV-CABCVRRESA-N 1 0 377.493 -0.311 20 0 GBADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662450742 1073567407 /nfs/dbraw/zinc/56/74/07/1073567407.db2.gz DWYXNPOLICGSOV-GJZGRUSLSA-N 1 0 377.493 -0.311 20 0 GBADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662450743 1073568020 /nfs/dbraw/zinc/56/80/20/1073568020.db2.gz DWYXNPOLICGSOV-HUUCEWRRSA-N 1 0 377.493 -0.311 20 0 GBADRO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)C1 ZINC000662450745 1073567973 /nfs/dbraw/zinc/56/79/73/1073567973.db2.gz DWYXNPOLICGSOV-LSDHHAIUSA-N 1 0 377.493 -0.311 20 0 GBADRO CC[C@@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000662450809 1073567579 /nfs/dbraw/zinc/56/75/79/1073567579.db2.gz FTYWJJLJEZJWKE-CYBMUJFWSA-N 1 0 396.469 -0.152 20 0 GBADRO CC[C@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000662450810 1073568004 /nfs/dbraw/zinc/56/80/04/1073568004.db2.gz FTYWJJLJEZJWKE-ZDUSSCGKSA-N 1 0 396.469 -0.152 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662451439 1073567418 /nfs/dbraw/zinc/56/74/18/1073567418.db2.gz BADBVDHBUQSKRZ-CVEARBPZSA-N 1 0 383.470 -0.313 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662451440 1073567601 /nfs/dbraw/zinc/56/76/01/1073567601.db2.gz BADBVDHBUQSKRZ-HOTGVXAUSA-N 1 0 383.470 -0.313 20 0 GBADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662451441 1073567714 /nfs/dbraw/zinc/56/77/14/1073567714.db2.gz BADBVDHBUQSKRZ-HZPDHXFCSA-N 1 0 383.470 -0.313 20 0 GBADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662451442 1073567763 /nfs/dbraw/zinc/56/77/63/1073567763.db2.gz BADBVDHBUQSKRZ-JKSUJKDBSA-N 1 0 383.470 -0.313 20 0 GBADRO [NH3+]CCn1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)nn1 ZINC000662451737 1073568030 /nfs/dbraw/zinc/56/80/30/1073568030.db2.gz MEHIYUZHZPEFKQ-UHFFFAOYSA-N 1 0 389.435 -0.436 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662456080 1073567509 /nfs/dbraw/zinc/56/75/09/1073567509.db2.gz VQEAUXKLJASICD-CHWSQXEVSA-N 1 0 385.490 -0.295 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662456081 1073567465 /nfs/dbraw/zinc/56/74/65/1073567465.db2.gz VQEAUXKLJASICD-OLZOCXBDSA-N 1 0 385.490 -0.295 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662456082 1073567640 /nfs/dbraw/zinc/56/76/40/1073567640.db2.gz VQEAUXKLJASICD-QWHCGFSZSA-N 1 0 385.490 -0.295 20 0 GBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662456083 1073567751 /nfs/dbraw/zinc/56/77/51/1073567751.db2.gz VQEAUXKLJASICD-STQMWFEESA-N 1 0 385.490 -0.295 20 0 GBADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000662456140 1073567723 /nfs/dbraw/zinc/56/77/23/1073567723.db2.gz JJBYXBFIXAHMLE-XYPYZODXSA-N 1 0 379.442 -0.161 20 0 GBADRO [NH3+]C1(CC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000662456309 1073567743 /nfs/dbraw/zinc/56/77/43/1073567743.db2.gz LLELZJJFVJNUFG-UHFFFAOYSA-N 1 0 379.442 -0.017 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662456747 1073567589 /nfs/dbraw/zinc/56/75/89/1073567589.db2.gz BXCGTITVEORDPS-AWEZNQCLSA-N 1 0 391.476 -0.598 20 0 GBADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662456748 1073567962 /nfs/dbraw/zinc/56/79/62/1073567962.db2.gz BXCGTITVEORDPS-CQSZACIVSA-N 1 0 391.476 -0.598 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662457161 1073567807 /nfs/dbraw/zinc/56/78/07/1073567807.db2.gz DSHIBWDEVNRAPZ-KBPBESRZSA-N 1 0 386.474 -0.122 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662457166 1073567655 /nfs/dbraw/zinc/56/76/55/1073567655.db2.gz DSHIBWDEVNRAPZ-KGLIPLIRSA-N 1 0 386.474 -0.122 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662457168 1073567499 /nfs/dbraw/zinc/56/74/99/1073567499.db2.gz DSHIBWDEVNRAPZ-UONOGXRCSA-N 1 0 386.474 -0.122 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662457170 1073567759 /nfs/dbraw/zinc/56/77/59/1073567759.db2.gz DSHIBWDEVNRAPZ-ZIAGYGMSSA-N 1 0 386.474 -0.122 20 0 GBADRO N[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662457729 1073567817 /nfs/dbraw/zinc/56/78/17/1073567817.db2.gz QXINOAKSLWFRCB-HNNXBMFYSA-N 1 0 396.394 -0.506 20 0 GBADRO N[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1F ZINC000662457737 1073567479 /nfs/dbraw/zinc/56/74/79/1073567479.db2.gz QXINOAKSLWFRCB-OAHLLOKOSA-N 1 0 396.394 -0.506 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1)N1CCOCC1 ZINC000662457767 1073567552 /nfs/dbraw/zinc/56/75/52/1073567552.db2.gz RIXCOHOWTMSBCM-UHFFFAOYSA-N 1 0 386.452 -0.525 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCOCC1 ZINC000662457871 1073567699 /nfs/dbraw/zinc/56/76/99/1073567699.db2.gz UJUGUSGHRNJKSJ-HNNXBMFYSA-N 1 0 392.378 -0.942 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCOCC1 ZINC000662457872 1073567771 /nfs/dbraw/zinc/56/77/71/1073567771.db2.gz UJUGUSGHRNJKSJ-OAHLLOKOSA-N 1 0 392.378 -0.942 20 0 GBADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000662458602 1073568688 /nfs/dbraw/zinc/56/86/88/1073568688.db2.gz YZITZKPTOLBPTL-DLBZAZTESA-N 1 0 397.497 -0.171 20 0 GBADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000662458603 1073569041 /nfs/dbraw/zinc/56/90/41/1073569041.db2.gz YZITZKPTOLBPTL-IAGOWNOFSA-N 1 0 397.497 -0.171 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000662458604 1073568975 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O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662466445 1073568527 /nfs/dbraw/zinc/56/85/27/1073568527.db2.gz XXQFBNHECGPOCJ-UONOGXRCSA-N 1 0 376.461 -0.851 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662466446 1073568590 /nfs/dbraw/zinc/56/85/90/1073568590.db2.gz XXQFBNHECGPOCJ-ZIAGYGMSSA-N 1 0 376.461 -0.851 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662475537 1073568548 /nfs/dbraw/zinc/56/85/48/1073568548.db2.gz OSXBLZLEGCMHBB-KBPBESRZSA-N 1 0 382.442 -0.891 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662475539 1073568609 /nfs/dbraw/zinc/56/86/09/1073568609.db2.gz OSXBLZLEGCMHBB-KGLIPLIRSA-N 1 0 382.442 -0.891 20 0 GBADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662475541 1073568917 /nfs/dbraw/zinc/56/89/17/1073568917.db2.gz OSXBLZLEGCMHBB-UONOGXRCSA-N 1 0 382.442 -0.891 20 0 GBADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662475544 1073569049 /nfs/dbraw/zinc/56/90/49/1073569049.db2.gz OSXBLZLEGCMHBB-ZIAGYGMSSA-N 1 0 382.442 -0.891 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662487254 1073570907 /nfs/dbraw/zinc/57/09/07/1073570907.db2.gz JCVKMUIEWNZTFT-AWEZNQCLSA-N 1 0 399.517 -0.001 20 0 GBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662487255 1073570356 /nfs/dbraw/zinc/57/03/56/1073570356.db2.gz JCVKMUIEWNZTFT-CQSZACIVSA-N 1 0 399.517 -0.001 20 0 GBADRO O=C(Cc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1)N1CCN(c2ncccn2)CC1 ZINC000662487880 1073570432 /nfs/dbraw/zinc/57/04/32/1073570432.db2.gz GLMGCRBIPRFVAX-UHFFFAOYSA-N 1 0 396.451 -0.359 20 0 GBADRO CC(C)([NH3+])c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)on1 ZINC000662494568 1073572015 /nfs/dbraw/zinc/57/20/15/1073572015.db2.gz BAAHQBJCVPIEJF-UHFFFAOYSA-N 1 0 387.462 -0.797 20 0 GBADRO O=C(c1cccc2c1CC[NH2+]C2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662494680 1073571720 /nfs/dbraw/zinc/57/17/20/1073571720.db2.gz CUOIPZNYNABEFP-UHFFFAOYSA-N 1 0 394.497 -0.333 20 0 GBADRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662494895 530156497 /nfs/dbraw/zinc/15/64/97/530156497.db2.gz FCFOLBSAGBXMDZ-HNNXBMFYSA-N 1 0 376.523 -0.281 20 0 GBADRO O=C(c1cccc2c1C[NH2+]C2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662495557 1073571981 /nfs/dbraw/zinc/57/19/81/1073571981.db2.gz NUFLQTAEDCZTAL-UHFFFAOYSA-N 1 0 380.470 -0.375 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662496165 1073571558 /nfs/dbraw/zinc/57/15/58/1073571558.db2.gz CAEZKPRAMXJOAD-HNNXBMFYSA-N 1 0 389.504 -0.029 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662496166 1073571877 /nfs/dbraw/zinc/57/18/77/1073571877.db2.gz CAEZKPRAMXJOAD-OAHLLOKOSA-N 1 0 389.504 -0.029 20 0 GBADRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662496392 1073571947 /nfs/dbraw/zinc/57/19/47/1073571947.db2.gz ZFEMDBGKJIOTRF-KRWDZBQOSA-N 1 0 394.497 -0.058 20 0 GBADRO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000662496393 1073571454 /nfs/dbraw/zinc/57/14/54/1073571454.db2.gz ZFEMDBGKJIOTRF-QGZVFWFLSA-N 1 0 394.497 -0.058 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH2+]C4CC4)CCC3)CC2)CC1 ZINC000662499908 1073571369 /nfs/dbraw/zinc/57/13/69/1073571369.db2.gz ABZYREBXXXQLDK-UHFFFAOYSA-N 1 0 385.534 -0.703 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)C[C@@H](C)O1 ZINC000662500118 1073571901 /nfs/dbraw/zinc/57/19/01/1073571901.db2.gz GDVCZSUPWDDPMU-KFWWJZLASA-N 1 0 388.534 -0.127 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)C[C@H](C)O1 ZINC000662500119 1073571892 /nfs/dbraw/zinc/57/18/92/1073571892.db2.gz GDVCZSUPWDDPMU-QLFBSQMISA-N 1 0 388.534 -0.127 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)C[C@@H](C)O1 ZINC000662500120 1073571886 /nfs/dbraw/zinc/57/18/86/1073571886.db2.gz GDVCZSUPWDDPMU-RBSFLKMASA-N 1 0 388.534 -0.127 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)C[C@H](C)O1 ZINC000662500121 1073571653 /nfs/dbraw/zinc/57/16/53/1073571653.db2.gz GDVCZSUPWDDPMU-ZNMIVQPWSA-N 1 0 388.534 -0.127 20 0 GBADRO Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000662500901 1073572823 /nfs/dbraw/zinc/57/28/23/1073572823.db2.gz YLQUJKVHXGKSPK-UHFFFAOYSA-N 1 0 390.465 -0.290 20 0 GBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)CC1 ZINC000662500980 1073572384 /nfs/dbraw/zinc/57/23/84/1073572384.db2.gz VFIZLKXYFHLDPK-UHFFFAOYSA-N 1 0 385.534 -0.716 20 0 GBADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000662505496 1073573590 /nfs/dbraw/zinc/57/35/90/1073573590.db2.gz MSABLQFFQDWBFB-CYBMUJFWSA-N 1 0 384.458 -0.401 20 0 GBADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000662505497 1073573425 /nfs/dbraw/zinc/57/34/25/1073573425.db2.gz MSABLQFFQDWBFB-ZDUSSCGKSA-N 1 0 384.458 -0.401 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3([NH2+]C4CC4)CCC3)CC2)o1 ZINC000662505540 1073573414 /nfs/dbraw/zinc/57/34/14/1073573414.db2.gz NUUIHBXNTYGPAZ-UHFFFAOYSA-N 1 0 396.469 -0.114 20 0 GBADRO NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662508321 1073573485 /nfs/dbraw/zinc/57/34/85/1073573485.db2.gz ZCCOCVSQQJCJOB-HNNXBMFYSA-N 1 0 391.863 -0.125 20 0 GBADRO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662508322 1073573619 /nfs/dbraw/zinc/57/36/19/1073573619.db2.gz ZCCOCVSQQJCJOB-OAHLLOKOSA-N 1 0 391.863 -0.125 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662509674 1073573504 /nfs/dbraw/zinc/57/35/04/1073573504.db2.gz OHGYWFXQMUBDRJ-HNNXBMFYSA-N 1 0 376.379 -0.178 20 0 GBADRO O=C(C(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1)N1CCCC1 ZINC000662509676 1073574648 /nfs/dbraw/zinc/57/46/48/1073574648.db2.gz OHGYWFXQMUBDRJ-OAHLLOKOSA-N 1 0 376.379 -0.178 20 0 GBADRO Nc1nc(CN2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)nc2ccccc12 ZINC000662524667 1073574898 /nfs/dbraw/zinc/57/48/98/1073574898.db2.gz MTOFROGJQLLVEX-UHFFFAOYSA-N 1 0 381.444 -0.280 20 0 GBADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000662526122 1073574951 /nfs/dbraw/zinc/57/49/51/1073574951.db2.gz RTNBLWRPHIIBQI-GXTWGEPZSA-N 1 0 393.469 -0.240 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000662526123 1073574581 /nfs/dbraw/zinc/57/45/81/1073574581.db2.gz RTNBLWRPHIIBQI-JSGCOSHPSA-N 1 0 393.469 -0.240 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000662526124 1073574861 /nfs/dbraw/zinc/57/48/61/1073574861.db2.gz RTNBLWRPHIIBQI-OCCSQVGLSA-N 1 0 393.469 -0.240 20 0 GBADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000662526125 1073574760 /nfs/dbraw/zinc/57/47/60/1073574760.db2.gz RTNBLWRPHIIBQI-TZMCWYRMSA-N 1 0 393.469 -0.240 20 0 GBADRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000662528236 1073574503 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ZINC000662681303 1073581604 /nfs/dbraw/zinc/58/16/04/1073581604.db2.gz FBBCELWQFBSRSJ-CABCVRRESA-N 1 0 397.501 -0.987 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000662681306 1073581721 /nfs/dbraw/zinc/58/17/21/1073581721.db2.gz FBBCELWQFBSRSJ-GJZGRUSLSA-N 1 0 397.501 -0.987 20 0 GBADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000662681308 1073582044 /nfs/dbraw/zinc/58/20/44/1073582044.db2.gz FBBCELWQFBSRSJ-HUUCEWRRSA-N 1 0 397.501 -0.987 20 0 GBADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000662681310 1073581638 /nfs/dbraw/zinc/58/16/38/1073581638.db2.gz FBBCELWQFBSRSJ-LSDHHAIUSA-N 1 0 397.501 -0.987 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000662685567 1073581897 /nfs/dbraw/zinc/58/18/97/1073581897.db2.gz VABCJIQODFHHTC-AWEZNQCLSA-N 1 0 379.442 -0.002 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000662685568 1073581947 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VAYZDCWNMZUVPL-HZPDHXFCSA-N 1 0 382.486 -0.075 20 0 GBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662703854 1073583783 /nfs/dbraw/zinc/58/37/83/1073583783.db2.gz VAYZDCWNMZUVPL-JKSUJKDBSA-N 1 0 382.486 -0.075 20 0 GBADRO CC(=O)N1CCN(CCOc2ccc(CCNC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000662709821 1073408870 /nfs/dbraw/zinc/40/88/70/1073408870.db2.gz CTOPHLVREPQJTN-UHFFFAOYSA-N 1 0 390.484 -0.778 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662714193 1073410682 /nfs/dbraw/zinc/41/06/82/1073410682.db2.gz APKHRUIALBQFMV-DZGCQCFKSA-N 1 0 382.486 -0.393 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662714194 1073410571 /nfs/dbraw/zinc/41/05/71/1073410571.db2.gz APKHRUIALBQFMV-HIFRSBDPSA-N 1 0 382.486 -0.393 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662714195 1073410510 /nfs/dbraw/zinc/41/05/10/1073410510.db2.gz APKHRUIALBQFMV-UKRRQHHQSA-N 1 0 382.486 -0.393 20 0 GBADRO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662714196 1073410262 /nfs/dbraw/zinc/41/02/62/1073410262.db2.gz APKHRUIALBQFMV-ZFWWWQNUSA-N 1 0 382.486 -0.393 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662721930 1073416386 /nfs/dbraw/zinc/41/63/86/1073416386.db2.gz FQYXNHOERDUSOI-UHFFFAOYSA-N 1 0 378.454 -0.711 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000662723210 1073416514 /nfs/dbraw/zinc/41/65/14/1073416514.db2.gz JVFLNTBXQZMPDQ-UHFFFAOYSA-N 1 0 380.470 -0.465 20 0 GBADRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000662723328 1073416479 /nfs/dbraw/zinc/41/64/79/1073416479.db2.gz WWYRTPQNPSCGDH-UHFFFAOYSA-N 1 0 378.454 -0.711 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000662724275 1073417364 /nfs/dbraw/zinc/41/73/64/1073417364.db2.gz PDISECXCDSFMRC-UHFFFAOYSA-N 1 0 382.486 -0.253 20 0 GBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662726491 1073416381 /nfs/dbraw/zinc/41/63/81/1073416381.db2.gz IBSBYQLSSRJSNP-MSOLQXFVSA-N 1 0 390.484 -0.067 20 0 GBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662726492 1073416469 /nfs/dbraw/zinc/41/64/69/1073416469.db2.gz IBSBYQLSSRJSNP-QZTJIDSGSA-N 1 0 390.484 -0.067 20 0 GBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662726493 1073416653 /nfs/dbraw/zinc/41/66/53/1073416653.db2.gz IBSBYQLSSRJSNP-ROUUACIJSA-N 1 0 390.484 -0.067 20 0 GBADRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662726494 1073416144 /nfs/dbraw/zinc/41/61/44/1073416144.db2.gz IBSBYQLSSRJSNP-ZWKOTPCHSA-N 1 0 390.484 -0.067 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000662727448 1073418870 /nfs/dbraw/zinc/41/88/70/1073418870.db2.gz QGYUUDLXKXHOFA-OAHLLOKOSA-N 1 0 382.486 -0.090 20 0 GBADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000662727958 1073417552 /nfs/dbraw/zinc/41/75/52/1073417552.db2.gz ZQSNWDLBZMXJBH-OAHLLOKOSA-N 1 0 382.486 -0.090 20 0 GBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000662731397 1073418744 /nfs/dbraw/zinc/41/87/44/1073418744.db2.gz FGBFIBGYJHULNE-KBPBESRZSA-N 1 0 383.474 -0.535 20 0 GBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000662731398 1073418548 /nfs/dbraw/zinc/41/85/48/1073418548.db2.gz FGBFIBGYJHULNE-KGLIPLIRSA-N 1 0 383.474 -0.535 20 0 GBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000662731399 1073418696 /nfs/dbraw/zinc/41/86/96/1073418696.db2.gz FGBFIBGYJHULNE-UONOGXRCSA-N 1 0 383.474 -0.535 20 0 GBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000662731400 1073418427 /nfs/dbraw/zinc/41/84/27/1073418427.db2.gz FGBFIBGYJHULNE-ZIAGYGMSSA-N 1 0 383.474 -0.535 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662736538 1073418417 /nfs/dbraw/zinc/41/84/17/1073418417.db2.gz IMSDTCWHBWDZBV-CVEARBPZSA-N 1 0 396.513 -0.397 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662736539 1073418557 /nfs/dbraw/zinc/41/85/57/1073418557.db2.gz IMSDTCWHBWDZBV-HOTGVXAUSA-N 1 0 396.513 -0.397 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662736543 1073418451 /nfs/dbraw/zinc/41/84/51/1073418451.db2.gz IMSDTCWHBWDZBV-HZPDHXFCSA-N 1 0 396.513 -0.397 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662736544 1073418963 /nfs/dbraw/zinc/41/89/63/1073418963.db2.gz IMSDTCWHBWDZBV-JKSUJKDBSA-N 1 0 396.513 -0.397 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737343 1073418481 /nfs/dbraw/zinc/41/84/81/1073418481.db2.gz ODHIBJLFYLHZGW-DOMZBBRYSA-N 1 0 378.395 -0.422 20 0 GBADRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737344 1073418508 /nfs/dbraw/zinc/41/85/08/1073418508.db2.gz ODHIBJLFYLHZGW-IUODEOHRSA-N 1 0 378.395 -0.422 20 0 GBADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737345 1073418822 /nfs/dbraw/zinc/41/88/22/1073418822.db2.gz ODHIBJLFYLHZGW-SWLSCSKDSA-N 1 0 378.395 -0.422 20 0 GBADRO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662737346 1073418431 /nfs/dbraw/zinc/41/84/31/1073418431.db2.gz ODHIBJLFYLHZGW-WFASDCNBSA-N 1 0 378.395 -0.422 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC2(CCC2)C1 ZINC000662739573 1073419645 /nfs/dbraw/zinc/41/96/45/1073419645.db2.gz RFBJPLCSZVLUOZ-AWEZNQCLSA-N 1 0 398.529 -0.905 20 0 GBADRO [NH3+]C1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC2(CCC2)C1 ZINC000662739576 1073419623 /nfs/dbraw/zinc/41/96/23/1073419623.db2.gz RFBJPLCSZVLUOZ-CQSZACIVSA-N 1 0 398.529 -0.905 20 0 GBADRO O=C(CN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000662740170 1073420084 /nfs/dbraw/zinc/42/00/84/1073420084.db2.gz XVHBIDXEFNGCGP-HNNXBMFYSA-N 1 0 398.529 -0.891 20 0 GBADRO O=C(CN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000662740172 1073419733 /nfs/dbraw/zinc/41/97/33/1073419733.db2.gz XVHBIDXEFNGCGP-OAHLLOKOSA-N 1 0 398.529 -0.891 20 0 GBADRO CCN(CC)S(=O)(=O)CC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662741347 530157254 /nfs/dbraw/zinc/15/72/54/530157254.db2.gz CJAJNAZKOBAAOH-UHFFFAOYSA-N 1 0 376.523 -0.235 20 0 GBADRO CNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)cn1 ZINC000662742339 1073419712 /nfs/dbraw/zinc/41/97/12/1073419712.db2.gz PNZFFVQXTAQELJ-UHFFFAOYSA-N 1 0 397.501 -0.290 20 0 GBADRO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662744152 1073419963 /nfs/dbraw/zinc/41/99/63/1073419963.db2.gz NVFKGGHFOIYBPZ-IRXDYDNUSA-N 1 0 382.530 -0.319 20 0 GBADRO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000662744154 1073420111 /nfs/dbraw/zinc/42/01/11/1073420111.db2.gz NVFKGGHFOIYBPZ-SJORKVTESA-N 1 0 382.530 -0.319 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000662744324 1073420046 /nfs/dbraw/zinc/42/00/46/1073420046.db2.gz CIZAHOQHAFHQLA-HNNXBMFYSA-N 1 0 388.534 -0.093 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000662744326 1073419575 /nfs/dbraw/zinc/41/95/75/1073419575.db2.gz CIZAHOQHAFHQLA-OAHLLOKOSA-N 1 0 388.534 -0.093 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662745062 1073419471 /nfs/dbraw/zinc/41/94/71/1073419471.db2.gz DCNWRLSEJQIZFF-ZIAGYGMSSA-N 1 0 386.449 -0.436 20 0 GBADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000662745121 1073419457 /nfs/dbraw/zinc/41/94/57/1073419457.db2.gz GAHCJVYAUHNTMQ-UHFFFAOYSA-N 1 0 386.456 -0.102 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC[C@H]1F ZINC000662747011 1073420600 /nfs/dbraw/zinc/42/06/00/1073420600.db2.gz PYARZRJUXLJZGR-ZIAGYGMSSA-N 1 0 384.433 -0.682 20 0 GBADRO CN(C)C(=O)CCN1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662747510 1073420648 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PUCXOQQNYLGKDD-KBPBESRZSA-N 1 0 375.429 -0.302 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000662750111 1073420995 /nfs/dbraw/zinc/42/09/95/1073420995.db2.gz PUCXOQQNYLGKDD-KGLIPLIRSA-N 1 0 375.429 -0.302 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000662750112 1073421154 /nfs/dbraw/zinc/42/11/54/1073421154.db2.gz PUCXOQQNYLGKDD-UONOGXRCSA-N 1 0 375.429 -0.302 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC000662750114 1073420946 /nfs/dbraw/zinc/42/09/46/1073420946.db2.gz PUCXOQQNYLGKDD-ZIAGYGMSSA-N 1 0 375.429 -0.302 20 0 GBADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750145 1073421137 /nfs/dbraw/zinc/42/11/37/1073421137.db2.gz QOLFMIUWJZWEAJ-CYBMUJFWSA-N 1 0 383.416 -0.455 20 0 GBADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662750399 1073421103 /nfs/dbraw/zinc/42/11/03/1073421103.db2.gz QOLFMIUWJZWEAJ-ZDUSSCGKSA-N 1 0 383.416 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[NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000662751892 1073422263 /nfs/dbraw/zinc/42/22/63/1073422263.db2.gz VUNSJNQBUDNOCQ-UHFFFAOYSA-N 1 0 399.455 -0.219 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662751894 1073422281 /nfs/dbraw/zinc/42/22/81/1073422281.db2.gz VXMYDOOBDATMKD-VIFPVBQESA-N 1 0 383.405 -0.237 20 0 GBADRO COCCS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000662752310 1073422232 /nfs/dbraw/zinc/42/22/32/1073422232.db2.gz HRPUCWONSRSKPJ-UHFFFAOYSA-N 1 0 380.426 -0.009 20 0 GBADRO COCCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000662752704 1073421746 /nfs/dbraw/zinc/42/17/46/1073421746.db2.gz JQOJBNPYYFUUOL-UHFFFAOYSA-N 1 0 395.441 -0.504 20 0 GBADRO CS(=O)(=O)N1CCc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)ccc21 ZINC000662753004 1073422073 /nfs/dbraw/zinc/42/20/73/1073422073.db2.gz NMQTWNBTZATPDY-UHFFFAOYSA-N 1 0 377.426 -0.107 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)n1 ZINC000662753011 1073422026 /nfs/dbraw/zinc/42/20/26/1073422026.db2.gz NPOXNADJHZJXNT-UHFFFAOYSA-N 1 0 383.405 -0.235 20 0 GBADRO CS(=O)(=O)NCCc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000662753883 1073421675 /nfs/dbraw/zinc/42/16/75/1073421675.db2.gz YJRZCENYODNAOX-UHFFFAOYSA-N 1 0 379.442 -0.337 20 0 GBADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2=O ZINC000662754172 1073421732 /nfs/dbraw/zinc/42/17/32/1073421732.db2.gz FXERNIDHFQRUFB-BMLIUANNSA-N 1 0 376.417 -0.242 20 0 GBADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2=O ZINC000662754173 1073422147 /nfs/dbraw/zinc/42/21/47/1073422147.db2.gz FXERNIDHFQRUFB-BTDLBPIBSA-N 1 0 376.417 -0.242 20 0 GBADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2=O ZINC000662754174 1073422053 /nfs/dbraw/zinc/42/20/53/1073422053.db2.gz FXERNIDHFQRUFB-DYZYQPBXSA-N 1 0 376.417 -0.242 20 0 GBADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2=O ZINC000662754175 1073422202 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WSNGWEPZRAXSFB-HUUCEWRRSA-N 1 0 375.477 -0.371 20 0 GBADRO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000662767599 1073423155 /nfs/dbraw/zinc/42/31/55/1073423155.db2.gz WSNGWEPZRAXSFB-LSDHHAIUSA-N 1 0 375.477 -0.371 20 0 GBADRO NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)C1 ZINC000662772704 1073424490 /nfs/dbraw/zinc/42/44/90/1073424490.db2.gz OZMGDLBFCVJTEP-LLVKDONJSA-N 1 0 379.446 -0.216 20 0 GBADRO NS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)C1 ZINC000662772705 1073424693 /nfs/dbraw/zinc/42/46/93/1073424693.db2.gz OZMGDLBFCVJTEP-NSHDSACASA-N 1 0 379.446 -0.216 20 0 GBADRO CN1CCS(=O)(=O)C[C@H]1CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662772943 530156951 /nfs/dbraw/zinc/15/69/51/530156951.db2.gz JQNXXIGPEKIUSY-NEPJUHHUSA-N 1 0 386.440 -0.942 20 0 GBADRO CN1CCS(=O)(=O)C[C@@H]1CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662772944 530157044 /nfs/dbraw/zinc/15/70/44/530157044.db2.gz JQNXXIGPEKIUSY-NWDGAFQWSA-N 1 0 386.440 -0.942 20 0 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ZINC000662787615 1073428342 /nfs/dbraw/zinc/42/83/42/1073428342.db2.gz DMRLHWUXTGLHEB-HNNXBMFYSA-N 1 0 390.362 -0.652 20 0 GBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662787617 1073427871 /nfs/dbraw/zinc/42/78/71/1073427871.db2.gz DMRLHWUXTGLHEB-OAHLLOKOSA-N 1 0 390.362 -0.652 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662790558 1073428165 /nfs/dbraw/zinc/42/81/65/1073428165.db2.gz PJLZODYQJHOKFY-JYJNAYRXSA-N 1 0 390.488 -0.238 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662790560 1073427954 /nfs/dbraw/zinc/42/79/54/1073427954.db2.gz PJLZODYQJHOKFY-OAGGEKHMSA-N 1 0 390.488 -0.238 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662790561 1073427890 /nfs/dbraw/zinc/42/78/90/1073427890.db2.gz PJLZODYQJHOKFY-PMPSAXMXSA-N 1 0 390.488 -0.238 20 0 GBADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662790562 1073428212 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NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2=O)c1 ZINC000662944772 1073479047 /nfs/dbraw/zinc/47/90/47/1073479047.db2.gz SQDKSWLKWWESQP-ZLKJLUDKSA-N 1 0 384.433 -0.415 20 0 GBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)s1 ZINC000662944810 530160432 /nfs/dbraw/zinc/16/04/32/530160432.db2.gz ULMZPVPXCHFTMY-VXGBXAGGSA-N 1 0 392.478 -0.440 20 0 GBADRO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000662944924 1073477970 /nfs/dbraw/zinc/47/79/70/1073477970.db2.gz BGJZXDRVZZRQHV-LLVKDONJSA-N 1 0 379.442 -0.067 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000662945116 1073480896 /nfs/dbraw/zinc/48/08/96/1073480896.db2.gz FTVGQFDMKBQMJG-UHFFFAOYSA-N 1 0 379.442 -0.066 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1OC ZINC000662945274 530160480 /nfs/dbraw/zinc/16/04/80/530160480.db2.gz LMRSWEQXFWNJNW-VXGBXAGGSA-N 1 0 375.422 -0.120 20 0 GBADRO 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CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000662945668 1073477844 /nfs/dbraw/zinc/47/78/44/1073477844.db2.gz GPFKVKGPPMPXMI-UHFFFAOYSA-N 1 0 393.425 -0.562 20 0 GBADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)CC1 ZINC000662945849 1073478040 /nfs/dbraw/zinc/47/80/40/1073478040.db2.gz JWWLBZXURBDVHZ-QLFBSQMISA-N 1 0 387.502 -0.895 20 0 GBADRO Cn1c2nc(C3CC3)cc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)c2c(=O)[nH]c1=O ZINC000662945858 1073477884 /nfs/dbraw/zinc/47/78/84/1073477884.db2.gz KGHWTJQPOMDHNP-UHFFFAOYSA-N 1 0 397.395 -0.204 20 0 GBADRO Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000662946571 1073480150 /nfs/dbraw/zinc/48/01/50/1073480150.db2.gz XAOCPZHQNWUESM-UHFFFAOYSA-N 1 0 379.442 -0.148 20 0 GBADRO CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662946743 1073481269 /nfs/dbraw/zinc/48/12/69/1073481269.db2.gz YSOXGEHMXDYKDG-UHFFFAOYSA-N 1 0 393.469 -0.094 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000662946995 1073479971 /nfs/dbraw/zinc/47/99/71/1073479971.db2.gz FLXOQBORVAOCPP-AWEZNQCLSA-N 1 0 383.493 -0.443 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000662946996 1073480158 /nfs/dbraw/zinc/48/01/58/1073480158.db2.gz FLXOQBORVAOCPP-CQSZACIVSA-N 1 0 383.493 -0.443 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@H]21 ZINC000662947205 530160580 /nfs/dbraw/zinc/16/05/80/530160580.db2.gz JPTAUDAQOFLRQQ-DGAVXFQQSA-N 1 0 375.491 -0.911 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@H]21 ZINC000662947206 530160569 /nfs/dbraw/zinc/16/05/69/530160569.db2.gz JPTAUDAQOFLRQQ-FQUUOJAGSA-N 1 0 375.491 -0.911 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)nn1 ZINC000662947254 1073480048 /nfs/dbraw/zinc/48/00/48/1073480048.db2.gz LWEQESMIWJUECK-UHFFFAOYSA-N 1 0 378.477 -0.033 20 0 GBADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662947363 530160225 /nfs/dbraw/zinc/16/02/25/530160225.db2.gz NBQFMCUKQKEFTQ-UWVGGRQHSA-N 1 0 387.424 -0.136 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662947455 1073479931 /nfs/dbraw/zinc/47/99/31/1073479931.db2.gz QSRKHIKLRCGSKI-YESZJQIVSA-N 1 0 398.463 -0.160 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662947456 1073480437 /nfs/dbraw/zinc/48/04/37/1073480437.db2.gz QSRKHIKLRCGSKI-ZACQAIPSSA-N 1 0 398.463 -0.160 20 0 GBADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662947612 530160449 /nfs/dbraw/zinc/16/04/49/530160449.db2.gz UHOIFDFYVGJQHM-DCAQKATOSA-N 1 0 385.408 -0.369 20 0 GBADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662947613 530160413 /nfs/dbraw/zinc/16/04/13/530160413.db2.gz UHOIFDFYVGJQHM-VWYCJHECSA-N 1 0 385.408 -0.369 20 0 GBADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662947737 1073480006 /nfs/dbraw/zinc/48/00/06/1073480006.db2.gz PTUAPJRIVIFVJK-BMFZPTHFSA-N 1 0 384.436 -0.550 20 0 GBADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662947739 1073480361 /nfs/dbraw/zinc/48/03/61/1073480361.db2.gz PTUAPJRIVIFVJK-CWRNSKLLSA-N 1 0 384.436 -0.550 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH2+]C)CC2)nn1 ZINC000662947832 1073480326 /nfs/dbraw/zinc/48/03/26/1073480326.db2.gz WNHKZCNLGBIXFJ-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)CC2)nn1 ZINC000662947833 1073480275 /nfs/dbraw/zinc/48/02/75/1073480275.db2.gz WNHKZCNLGBIXFJ-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000662947909 1073479961 /nfs/dbraw/zinc/47/99/61/1073479961.db2.gz BSNPSBSRAALOHV-CALCHBBNSA-N 1 0 398.463 -0.173 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)nn1 ZINC000662948253 1073480993 /nfs/dbraw/zinc/48/09/93/1073480993.db2.gz IDSBUMGKAQSVOQ-AWEZNQCLSA-N 1 0 376.461 -0.218 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)nn1 ZINC000662948255 1073481396 /nfs/dbraw/zinc/48/13/96/1073481396.db2.gz IDSBUMGKAQSVOQ-CQSZACIVSA-N 1 0 376.461 -0.218 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000662948492 1073481634 /nfs/dbraw/zinc/48/16/34/1073481634.db2.gz LFSSPUBFTNEKEZ-BEFAXECRSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000662948493 1073481627 /nfs/dbraw/zinc/48/16/27/1073481627.db2.gz LFSSPUBFTNEKEZ-DNVCBOLYSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000662948494 1073481599 /nfs/dbraw/zinc/48/15/99/1073481599.db2.gz LFSSPUBFTNEKEZ-HNAYVOBHSA-N 1 0 380.489 -0.404 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000662948495 1073481250 /nfs/dbraw/zinc/48/12/50/1073481250.db2.gz LFSSPUBFTNEKEZ-KXBFYZLASA-N 1 0 380.489 -0.404 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)nn1 ZINC000662948622 1073481586 /nfs/dbraw/zinc/48/15/86/1073481586.db2.gz ACYZJFFLKGYGLY-KBPBESRZSA-N 1 0 376.461 -0.267 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)nn1 ZINC000662948623 1073481369 /nfs/dbraw/zinc/48/13/69/1073481369.db2.gz ACYZJFFLKGYGLY-KGLIPLIRSA-N 1 0 376.461 -0.267 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)nn1 ZINC000662948624 1073481230 /nfs/dbraw/zinc/48/12/30/1073481230.db2.gz ACYZJFFLKGYGLY-UONOGXRCSA-N 1 0 376.461 -0.267 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)nn1 ZINC000662948625 1073481207 /nfs/dbraw/zinc/48/12/07/1073481207.db2.gz ACYZJFFLKGYGLY-ZIAGYGMSSA-N 1 0 376.461 -0.267 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C[C@H]21 ZINC000662948792 1073480248 /nfs/dbraw/zinc/48/02/48/1073480248.db2.gz NLHSEGCEPYLKDH-JJXSEGSLSA-N 1 0 399.513 -0.753 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C[C@H]21 ZINC000662948796 1073480285 /nfs/dbraw/zinc/48/02/85/1073480285.db2.gz NLHSEGCEPYLKDH-JONQDZQNSA-N 1 0 399.513 -0.753 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)nn1 ZINC000662948861 1073480177 /nfs/dbraw/zinc/48/01/77/1073480177.db2.gz ORJYABMUYIFVQL-UHFFFAOYSA-N 1 0 376.461 -0.279 20 0 GBADRO O=C(NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1)[C@@H]1CCC[NH2+]1 ZINC000662948993 1073482252 /nfs/dbraw/zinc/48/22/52/1073482252.db2.gz CAEHMLYVZRUTHY-HZMVEIRTSA-N 1 0 392.500 -0.412 20 0 GBADRO O=C(NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1)[C@H]1CCC[NH2+]1 ZINC000662948994 1073482308 /nfs/dbraw/zinc/48/23/08/1073482308.db2.gz CAEHMLYVZRUTHY-VVLHAWIVSA-N 1 0 392.500 -0.412 20 0 GBADRO O=C(NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)C1)[C@H]1CCC[NH2+]1 ZINC000662948995 1073482171 /nfs/dbraw/zinc/48/21/71/1073482171.db2.gz CAEHMLYVZRUTHY-YLFCFFPRSA-N 1 0 392.500 -0.412 20 0 GBADRO O=C(NC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1)[C@@H]1CCC[NH2+]1 ZINC000662948996 1073482345 /nfs/dbraw/zinc/48/23/45/1073482345.db2.gz CAEHMLYVZRUTHY-YVSFHVDLSA-N 1 0 392.500 -0.412 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)nn1 ZINC000662949978 1073481429 /nfs/dbraw/zinc/48/14/29/1073481429.db2.gz ZWUVSQGNMJSXKH-UHFFFAOYSA-N 1 0 397.501 -0.309 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)[C@@H](C)C[NH2+]1 ZINC000662950497 530160170 /nfs/dbraw/zinc/16/01/70/530160170.db2.gz MGAYJPNVQZVQGG-NAKRPEOUSA-N 1 0 385.408 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)[C@@H](C)C[NH2+]1 ZINC000662950499 530160081 /nfs/dbraw/zinc/16/00/81/530160081.db2.gz MGAYJPNVQZVQGG-RCWTZXSCSA-N 1 0 385.408 -0.371 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000662950519 530160512 /nfs/dbraw/zinc/16/05/12/530160512.db2.gz MGAYJPNVQZVQGG-VLEAKVRGSA-N 1 0 385.408 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)[C@H](C)C[NH2+]1 ZINC000662950520 530160374 /nfs/dbraw/zinc/16/03/74/530160374.db2.gz MGAYJPNVQZVQGG-ZNSHCXBVSA-N 1 0 385.408 -0.371 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nn1 ZINC000662950727 1073482260 /nfs/dbraw/zinc/48/22/60/1073482260.db2.gz BVORSQINOLJSGB-CABCVRRESA-N 1 0 388.472 -0.123 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC(C[NH2+]C)CC3)CC2)nn1 ZINC000662950862 1073482244 /nfs/dbraw/zinc/48/22/44/1073482244.db2.gz DQVJRFCTFFHPAV-UHFFFAOYSA-N 1 0 390.488 -0.018 20 0 GBADRO C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000662950885 1073482560 /nfs/dbraw/zinc/48/25/60/1073482560.db2.gz FFHZQLAWQNYNLT-RYUDHWBXSA-N 1 0 399.435 -0.122 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)nn1 ZINC000662951260 1073481339 /nfs/dbraw/zinc/48/13/39/1073481339.db2.gz KDPOINPXGNBGIN-GOSISDBHSA-N 1 0 376.461 -0.279 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)nn1 ZINC000662951261 1073481054 /nfs/dbraw/zinc/48/10/54/1073481054.db2.gz KDPOINPXGNBGIN-SFHVURJKSA-N 1 0 376.461 -0.279 20 0 GBADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662951301 1073481557 /nfs/dbraw/zinc/48/15/57/1073481557.db2.gz KYLMTSJVVCXSPY-YESZJQIVSA-N 1 0 398.463 -0.302 20 0 GBADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662951302 1073481187 /nfs/dbraw/zinc/48/11/87/1073481187.db2.gz KYLMTSJVVCXSPY-ZACQAIPSSA-N 1 0 398.463 -0.302 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000662951720 1073480958 /nfs/dbraw/zinc/48/09/58/1073480958.db2.gz BUMDGBSDRGNZIJ-CYBMUJFWSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000662951721 1073481123 /nfs/dbraw/zinc/48/11/23/1073481123.db2.gz BUMDGBSDRGNZIJ-ZDUSSCGKSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000662951743 1073481288 /nfs/dbraw/zinc/48/12/88/1073481288.db2.gz CCJLXZLVUKTKQV-SRVKXCTJSA-N 1 0 399.435 -0.122 20 0 GBADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000662951744 1073481067 /nfs/dbraw/zinc/48/10/67/1073481067.db2.gz CCJLXZLVUKTKQV-WOPDTQHZSA-N 1 0 399.435 -0.122 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)CC2)nn1 ZINC000662951817 1073481507 /nfs/dbraw/zinc/48/15/07/1073481507.db2.gz NUNCKYRYALNABF-AWEZNQCLSA-N 1 0 376.461 -0.408 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)CC2)nn1 ZINC000662951821 1073481045 /nfs/dbraw/zinc/48/10/45/1073481045.db2.gz NUNCKYRYALNABF-CQSZACIVSA-N 1 0 376.461 -0.408 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000662951825 1073480944 /nfs/dbraw/zinc/48/09/44/1073480944.db2.gz NXZXAPYBZXFMSH-WRWGMCAJSA-N 1 0 397.419 -0.227 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000662952075 1073483249 /nfs/dbraw/zinc/48/32/49/1073483249.db2.gz CHUAHOWRPKLOEI-MDBPOYHNSA-N 1 0 398.463 -0.161 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C[C@H](C)[NH2+]1 ZINC000662952077 1073483664 /nfs/dbraw/zinc/48/36/64/1073483664.db2.gz CHUAHOWRPKLOEI-NXNVCVFFSA-N 1 0 398.463 -0.161 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C[C@@H](C)[NH2+]1 ZINC000662952078 1073483572 /nfs/dbraw/zinc/48/35/72/1073483572.db2.gz CHUAHOWRPKLOEI-SRABZTEZSA-N 1 0 398.463 -0.161 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH2+]C)C3)CC2)nn1 ZINC000662952111 1073483229 /nfs/dbraw/zinc/48/32/29/1073483229.db2.gz FDDALYRJRJJPGG-HNNXBMFYSA-N 1 0 390.488 -0.018 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H](C[NH2+]C)C3)CC2)nn1 ZINC000662952112 1073483291 /nfs/dbraw/zinc/48/32/91/1073483291.db2.gz FDDALYRJRJJPGG-OAHLLOKOSA-N 1 0 390.488 -0.018 20 0 GBADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662952234 1073483670 /nfs/dbraw/zinc/48/36/70/1073483670.db2.gz REDFXFCDUPQZJT-MRUHUIDDSA-N 1 0 398.463 -0.173 20 0 GBADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662952237 1073483343 /nfs/dbraw/zinc/48/33/43/1073483343.db2.gz REDFXFCDUPQZJT-VWKPWSFCSA-N 1 0 398.463 -0.173 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@H](C)[NH2+]1 ZINC000662952373 530160122 /nfs/dbraw/zinc/16/01/22/530160122.db2.gz DJOHYANMRKTMGM-NAKRPEOUSA-N 1 0 385.408 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@H](C)[NH2+]1 ZINC000662952374 530160464 /nfs/dbraw/zinc/16/04/64/530160464.db2.gz DJOHYANMRKTMGM-VLEAKVRGSA-N 1 0 385.408 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@@H](C)[NH2+]1 ZINC000662952375 530160313 /nfs/dbraw/zinc/16/03/13/530160313.db2.gz DJOHYANMRKTMGM-ZNSHCXBVSA-N 1 0 385.408 -0.371 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)nn1 ZINC000662952441 1073483687 /nfs/dbraw/zinc/48/36/87/1073483687.db2.gz YAKXTUJJMBRJAI-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)nn1 ZINC000662952442 1073483285 /nfs/dbraw/zinc/48/32/85/1073483285.db2.gz YAKXTUJJMBRJAI-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)nn1 ZINC000662952443 1073483192 /nfs/dbraw/zinc/48/31/92/1073483192.db2.gz YAKXTUJJMBRJAI-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)nn1 ZINC000662952444 1073483379 /nfs/dbraw/zinc/48/33/79/1073483379.db2.gz YAKXTUJJMBRJAI-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952467 1073483637 /nfs/dbraw/zinc/48/36/37/1073483637.db2.gz YMUZEPFYXPLJHG-DZUCGIPZSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952468 1073483682 /nfs/dbraw/zinc/48/36/82/1073483682.db2.gz YMUZEPFYXPLJHG-PQEBFOHHSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952469 1073483676 /nfs/dbraw/zinc/48/36/76/1073483676.db2.gz YMUZEPFYXPLJHG-QSPRXWTASA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662952470 1073483331 /nfs/dbraw/zinc/48/33/31/1073483331.db2.gz YMUZEPFYXPLJHG-XBVQOTNRSA-N 1 0 398.463 -0.174 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)nn1 ZINC000662952837 1073483256 /nfs/dbraw/zinc/48/32/56/1073483256.db2.gz HZOOGYZFUDPHNP-KBPBESRZSA-N 1 0 376.461 -0.267 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)nn1 ZINC000662952839 1073483237 /nfs/dbraw/zinc/48/32/37/1073483237.db2.gz HZOOGYZFUDPHNP-OKILXGFUSA-N 1 0 376.461 -0.267 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)nn1 ZINC000662952840 1073483476 /nfs/dbraw/zinc/48/34/76/1073483476.db2.gz HZOOGYZFUDPHNP-ZIAGYGMSSA-N 1 0 376.461 -0.267 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662953144 1073483223 /nfs/dbraw/zinc/48/32/23/1073483223.db2.gz KJRZYHABTCYMOA-DZUCGIPZSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662953146 1073483264 /nfs/dbraw/zinc/48/32/64/1073483264.db2.gz KJRZYHABTCYMOA-PQEBFOHHSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662953148 1073483182 /nfs/dbraw/zinc/48/31/82/1073483182.db2.gz KJRZYHABTCYMOA-QSPRXWTASA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662953151 1073483384 /nfs/dbraw/zinc/48/33/84/1073483384.db2.gz KJRZYHABTCYMOA-XBVQOTNRSA-N 1 0 398.463 -0.174 20 0 GBADRO CN(C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662953206 1073483466 /nfs/dbraw/zinc/48/34/66/1073483466.db2.gz LVXOBJCTANBCCS-CALCHBBNSA-N 1 0 398.463 -0.160 20 0 GBADRO CCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662953590 1073483495 /nfs/dbraw/zinc/48/34/95/1073483495.db2.gz MUEHJHDNGLSJPQ-QLFBSQMISA-N 1 0 387.502 -0.753 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C[C@H]21 ZINC000662953671 1073483646 /nfs/dbraw/zinc/48/36/46/1073483646.db2.gz OEVZBGRIJAIBTE-XHSDSOJGSA-N 1 0 395.481 -0.756 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1C(F)(F)F ZINC000662953752 530160379 /nfs/dbraw/zinc/16/03/79/530160379.db2.gz PIQLNSBUSZEACQ-LMLFDSFASA-N 1 0 383.392 -0.902 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)nn1 ZINC000662953850 1073483511 /nfs/dbraw/zinc/48/35/11/1073483511.db2.gz QMJUXQFUWOHVGF-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)nn1 ZINC000662953852 1073483587 /nfs/dbraw/zinc/48/35/87/1073483587.db2.gz QMJUXQFUWOHVGF-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)nn1 ZINC000662953854 1073483507 /nfs/dbraw/zinc/48/35/07/1073483507.db2.gz QMJUXQFUWOHVGF-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)nn1 ZINC000662953856 1073483352 /nfs/dbraw/zinc/48/33/52/1073483352.db2.gz QMJUXQFUWOHVGF-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N(C)C3CC[NH2+]CC3)CC2)nn1 ZINC000662954495 1073482216 /nfs/dbraw/zinc/48/22/16/1073482216.db2.gz VOOIVSBURTXKED-UHFFFAOYSA-N 1 0 376.461 -0.266 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000662954646 1073482516 /nfs/dbraw/zinc/48/25/16/1073482516.db2.gz XWLUHYRMAHZNDQ-BMFZPTHFSA-N 1 0 384.436 -0.550 20 0 GBADRO O=C(C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662954746 1073482298 /nfs/dbraw/zinc/48/22/98/1073482298.db2.gz YURJGTQFWFRTLQ-WNKDZCFJSA-N 1 0 396.447 -0.692 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000662954900 1073482139 /nfs/dbraw/zinc/48/21/39/1073482139.db2.gz BERWGYKPRONSMV-CYBMUJFWSA-N 1 0 385.486 -0.017 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000662954904 1073482462 /nfs/dbraw/zinc/48/24/62/1073482462.db2.gz BERWGYKPRONSMV-ZDUSSCGKSA-N 1 0 385.486 -0.017 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)nn1 ZINC000662955096 1073485586 /nfs/dbraw/zinc/48/55/86/1073485586.db2.gz OXJOWVXUULAUEO-KBPBESRZSA-N 1 0 392.460 -0.902 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)nn1 ZINC000662955097 1073485520 /nfs/dbraw/zinc/48/55/20/1073485520.db2.gz OXJOWVXUULAUEO-KGLIPLIRSA-N 1 0 392.460 -0.902 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)nn1 ZINC000662955098 1073485373 /nfs/dbraw/zinc/48/53/73/1073485373.db2.gz OXJOWVXUULAUEO-UONOGXRCSA-N 1 0 392.460 -0.902 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)nn1 ZINC000662955099 1073485378 /nfs/dbraw/zinc/48/53/78/1073485378.db2.gz OXJOWVXUULAUEO-ZIAGYGMSSA-N 1 0 392.460 -0.902 20 0 GBADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662955223 1073483277 /nfs/dbraw/zinc/48/32/77/1073483277.db2.gz QXIAJXZTHWTZJT-HRCADAONSA-N 1 0 384.436 -0.550 20 0 GBADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662955226 1073483702 /nfs/dbraw/zinc/48/37/02/1073483702.db2.gz QXIAJXZTHWTZJT-OAGGEKHMSA-N 1 0 384.436 -0.550 20 0 GBADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662955779 1073482576 /nfs/dbraw/zinc/48/25/76/1073482576.db2.gz SYMYLJSBPUNMOW-HDEZJCGLSA-N 1 0 398.463 -0.161 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000662955780 1073482621 /nfs/dbraw/zinc/48/26/21/1073482621.db2.gz SYMYLJSBPUNMOW-NXNVCVFFSA-N 1 0 398.463 -0.161 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)[C@H](C)C[NH2+]1 ZINC000662955781 1073482546 /nfs/dbraw/zinc/48/25/46/1073482546.db2.gz SYMYLJSBPUNMOW-SRABZTEZSA-N 1 0 398.463 -0.161 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)[C@@H](C)C[NH2+]1 ZINC000662955782 1073482156 /nfs/dbraw/zinc/48/21/56/1073482156.db2.gz SYMYLJSBPUNMOW-WTTBNOFXSA-N 1 0 398.463 -0.161 20 0 GBADRO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]1 ZINC000662956195 1073485693 /nfs/dbraw/zinc/48/56/93/1073485693.db2.gz NHIFFRXUAUBWKR-TUAOUCFPSA-N 1 0 399.435 -0.123 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000662956392 1073485223 /nfs/dbraw/zinc/48/52/23/1073485223.db2.gz XKFRQBSNUBGKIJ-BWACUDIHSA-N 1 0 390.431 -0.429 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000662956396 1073485513 /nfs/dbraw/zinc/48/55/13/1073485513.db2.gz XKFRQBSNUBGKIJ-PEBVRCNWSA-N 1 0 390.431 -0.429 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000662956398 1073485506 /nfs/dbraw/zinc/48/55/06/1073485506.db2.gz XKFRQBSNUBGKIJ-PSTGCABASA-N 1 0 390.431 -0.429 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000662956400 1073485341 /nfs/dbraw/zinc/48/53/41/1073485341.db2.gz XKFRQBSNUBGKIJ-QFSBIZTOSA-N 1 0 390.431 -0.429 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)CC2)nn1 ZINC000662956618 1073485296 /nfs/dbraw/zinc/48/52/96/1073485296.db2.gz QVSJJDIYLFPGTO-OAHLLOKOSA-N 1 0 390.488 -0.020 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000662956705 1073485484 /nfs/dbraw/zinc/48/54/84/1073485484.db2.gz AZSRNOGJNSKQEY-LLLHUVSDSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000662956706 1073485667 /nfs/dbraw/zinc/48/56/67/1073485667.db2.gz AZSRNOGJNSKQEY-MXASKKJJSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000662956707 1073485660 /nfs/dbraw/zinc/48/56/60/1073485660.db2.gz AZSRNOGJNSKQEY-QMCVQRASSA-N 1 0 398.463 -0.174 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000662956708 1073485251 /nfs/dbraw/zinc/48/52/51/1073485251.db2.gz AZSRNOGJNSKQEY-SIXLDLHFSA-N 1 0 398.463 -0.174 20 0 GBADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662956754 1073485476 /nfs/dbraw/zinc/48/54/76/1073485476.db2.gz ZFYIPAYPRXNEGB-HRCADAONSA-N 1 0 384.436 -0.563 20 0 GBADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000662956755 1073485325 /nfs/dbraw/zinc/48/53/25/1073485325.db2.gz ZFYIPAYPRXNEGB-OAGGEKHMSA-N 1 0 384.436 -0.563 20 0 GBADRO O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662956767 1073485738 /nfs/dbraw/zinc/48/57/38/1073485738.db2.gz ZLBXRMIXVHUKLG-IYBDPMFKSA-N 1 0 384.436 -0.548 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000662956771 1073485365 /nfs/dbraw/zinc/48/53/65/1073485365.db2.gz ZLPBJCNDPBFPPR-DOTOQJQBSA-N 1 0 388.468 -0.020 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000662956776 1073485712 /nfs/dbraw/zinc/48/57/12/1073485712.db2.gz ZLPBJCNDPBFPPR-NVXWUHKLSA-N 1 0 388.468 -0.020 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)nn1 ZINC000662957304 1073483519 /nfs/dbraw/zinc/48/35/19/1073483519.db2.gz HWXYPEDJHLWDFW-KBPBESRZSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)nn1 ZINC000662957305 1073483322 /nfs/dbraw/zinc/48/33/22/1073483322.db2.gz HWXYPEDJHLWDFW-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)nn1 ZINC000662957306 1073483694 /nfs/dbraw/zinc/48/36/94/1073483694.db2.gz HWXYPEDJHLWDFW-UONOGXRCSA-N 1 0 376.461 -0.280 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)nn1 ZINC000662957307 1073483595 /nfs/dbraw/zinc/48/35/95/1073483595.db2.gz HWXYPEDJHLWDFW-ZIAGYGMSSA-N 1 0 376.461 -0.280 20 0 GBADRO CC1([NH3+])CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000662957308 1073484547 /nfs/dbraw/zinc/48/45/47/1073484547.db2.gz HXWJYZOXVCKNMK-IYBDPMFKSA-N 1 0 398.463 -0.030 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC(C)([NH3+])CC3)CC2)nn1 ZINC000662957513 1073483270 /nfs/dbraw/zinc/48/32/70/1073483270.db2.gz IMYLRDQYLCQKRS-UHFFFAOYSA-N 1 0 376.461 -0.136 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000662957593 1073485405 /nfs/dbraw/zinc/48/54/05/1073485405.db2.gz XWLUHYRMAHZNDQ-CWRNSKLLSA-N 1 0 384.436 -0.550 20 0 GBADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)CC1 ZINC000662957957 1073484635 /nfs/dbraw/zinc/48/46/35/1073484635.db2.gz QFSUZQBUNSCFHQ-QLFBSQMISA-N 1 0 387.502 -0.895 20 0 GBADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000662958224 1073484491 /nfs/dbraw/zinc/48/44/91/1073484491.db2.gz AALLFKOEDXBVEJ-KSZLIROESA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000662958229 1073484537 /nfs/dbraw/zinc/48/45/37/1073484537.db2.gz AALLFKOEDXBVEJ-KURKYZTESA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000662958231 1073484630 /nfs/dbraw/zinc/48/46/30/1073484630.db2.gz AALLFKOEDXBVEJ-KZNAEPCWSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000662958234 1073484450 /nfs/dbraw/zinc/48/44/50/1073484450.db2.gz AALLFKOEDXBVEJ-RCCFBDPRSA-N 1 0 394.516 -0.336 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662958344 1073484217 /nfs/dbraw/zinc/48/42/17/1073484217.db2.gz BWGICRSQRCTCEE-INIZCTEOSA-N 1 0 378.473 -0.538 20 0 GBADRO CN(CC1=CCCOC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662958345 1073484619 /nfs/dbraw/zinc/48/46/19/1073484619.db2.gz BWGICRSQRCTCEE-MRXNPFEDSA-N 1 0 378.473 -0.538 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662958428 1073484353 /nfs/dbraw/zinc/48/43/53/1073484353.db2.gz AFLMYBWMCPABOW-HNNXBMFYSA-N 1 0 383.493 -0.572 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662958431 1073484549 /nfs/dbraw/zinc/48/45/49/1073484549.db2.gz AFLMYBWMCPABOW-OAHLLOKOSA-N 1 0 383.493 -0.572 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000662958994 1073484256 /nfs/dbraw/zinc/48/42/56/1073484256.db2.gz ZHBRDGDBONCEFI-CYBMUJFWSA-N 1 0 382.486 -0.123 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000662958995 1073484594 /nfs/dbraw/zinc/48/45/94/1073484594.db2.gz ZHBRDGDBONCEFI-ZDUSSCGKSA-N 1 0 382.486 -0.123 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000662959024 1073486589 /nfs/dbraw/zinc/48/65/89/1073486589.db2.gz DKDHLJFWEOFKQL-BDXSIMOUSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)C2)C1 ZINC000662959025 1073486568 /nfs/dbraw/zinc/48/65/68/1073486568.db2.gz DKDHLJFWEOFKQL-MHORFTMASA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000662959026 1073486578 /nfs/dbraw/zinc/48/65/78/1073486578.db2.gz DKDHLJFWEOFKQL-MLHJIOFPSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)C1 ZINC000662959027 1073486534 /nfs/dbraw/zinc/48/65/34/1073486534.db2.gz DKDHLJFWEOFKQL-TVFCKZIOSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)C2)nn1 ZINC000662959068 1073486318 /nfs/dbraw/zinc/48/63/18/1073486318.db2.gz DUAVDNXQCMVIGK-CRAIPNDOSA-N 1 0 376.461 -0.336 20 0 GBADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CCC[C@](O)(C4CC4)C3)C2)nn1 ZINC000662959069 1073486446 /nfs/dbraw/zinc/48/64/46/1073486446.db2.gz DUAVDNXQCMVIGK-MAUKXSAKSA-N 1 0 376.461 -0.336 20 0 GBADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C2)nn1 ZINC000662959071 1073486119 /nfs/dbraw/zinc/48/61/19/1073486119.db2.gz DUAVDNXQCMVIGK-QAPCUYQASA-N 1 0 376.461 -0.336 20 0 GBADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CCC[C@@](O)(C4CC4)C3)C2)nn1 ZINC000662959075 1073486374 /nfs/dbraw/zinc/48/63/74/1073486374.db2.gz DUAVDNXQCMVIGK-YJBOKZPZSA-N 1 0 376.461 -0.336 20 0 GBADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000662959141 1073486677 /nfs/dbraw/zinc/48/66/77/1073486677.db2.gz FRDQWLAHZWQAKO-DJIMGWMZSA-N 1 0 390.488 -0.129 20 0 GBADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000662959142 1073486769 /nfs/dbraw/zinc/48/67/69/1073486769.db2.gz FRDQWLAHZWQAKO-OIISXLGYSA-N 1 0 390.488 -0.129 20 0 GBADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000662959143 1073486748 /nfs/dbraw/zinc/48/67/48/1073486748.db2.gz FRDQWLAHZWQAKO-UAGQMJEPSA-N 1 0 390.488 -0.129 20 0 GBADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000662959144 1073486491 /nfs/dbraw/zinc/48/64/91/1073486491.db2.gz FRDQWLAHZWQAKO-USXIJHARSA-N 1 0 390.488 -0.129 20 0 GBADRO O=C(C(=O)N1CCC[C@](O)(C2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662959769 1073484584 /nfs/dbraw/zinc/48/45/84/1073484584.db2.gz JWQHHYLXQHLHHP-FOIQADDNSA-N 1 0 392.500 -0.580 20 0 GBADRO O=C(C(=O)N1CCC[C@](O)(C2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662959770 1073484187 /nfs/dbraw/zinc/48/41/87/1073484187.db2.gz JWQHHYLXQHLHHP-MGPUTAFESA-N 1 0 392.500 -0.580 20 0 GBADRO O=C(C(=O)N1CCC[C@@](O)(C2CC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662959771 1073484428 /nfs/dbraw/zinc/48/44/28/1073484428.db2.gz JWQHHYLXQHLHHP-QRWLVFNGSA-N 1 0 392.500 -0.580 20 0 GBADRO O=C(C(=O)N1CCC[C@@](O)(C2CC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662959772 1073484472 /nfs/dbraw/zinc/48/44/72/1073484472.db2.gz JWQHHYLXQHLHHP-YWZLYKJASA-N 1 0 392.500 -0.580 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000662959781 1073484419 /nfs/dbraw/zinc/48/44/19/1073484419.db2.gz KDZCYVMMTPVFQI-BJDJZHNGSA-N 1 0 399.435 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000662959782 1073484666 /nfs/dbraw/zinc/48/46/66/1073484666.db2.gz KDZCYVMMTPVFQI-RHYQMDGZSA-N 1 0 399.435 -0.136 20 0 GBADRO C[C@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000662959783 1073484656 /nfs/dbraw/zinc/48/46/56/1073484656.db2.gz KDZCYVMMTPVFQI-USZNOCQGSA-N 1 0 399.435 -0.136 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000662959784 1073484579 /nfs/dbraw/zinc/48/45/79/1073484579.db2.gz KDZCYVMMTPVFQI-WYUUTHIRSA-N 1 0 399.435 -0.136 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662960037 1073486614 /nfs/dbraw/zinc/48/66/14/1073486614.db2.gz LAZRTYSULIRUGL-ARFHVFGLSA-N 1 0 378.473 -0.848 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662960040 1073486424 /nfs/dbraw/zinc/48/64/24/1073486424.db2.gz LAZRTYSULIRUGL-BZUAXINKSA-N 1 0 378.473 -0.848 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662960041 1073486784 /nfs/dbraw/zinc/48/67/84/1073486784.db2.gz LAZRTYSULIRUGL-OAGGEKHMSA-N 1 0 378.473 -0.848 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662960042 1073486632 /nfs/dbraw/zinc/48/66/32/1073486632.db2.gz LAZRTYSULIRUGL-XHSDSOJGSA-N 1 0 378.473 -0.848 20 0 GBADRO CN(CC1=CCSC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662960323 1073486463 /nfs/dbraw/zinc/48/64/63/1073486463.db2.gz MYHFAVHSFSTCIV-HNNXBMFYSA-N 1 0 380.514 -0.212 20 0 GBADRO CN(CC1=CCSC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662960324 1073486702 /nfs/dbraw/zinc/48/67/02/1073486702.db2.gz MYHFAVHSFSTCIV-OAHLLOKOSA-N 1 0 380.514 -0.212 20 0 GBADRO O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2nccnc2C1 ZINC000662960677 1073486792 /nfs/dbraw/zinc/48/67/92/1073486792.db2.gz POVMCXINARPFRF-AWEZNQCLSA-N 1 0 386.456 -0.968 20 0 GBADRO O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2nccnc2C1 ZINC000662960681 1073486689 /nfs/dbraw/zinc/48/66/89/1073486689.db2.gz POVMCXINARPFRF-CQSZACIVSA-N 1 0 386.456 -0.968 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)nn1 ZINC000662961124 1073485574 /nfs/dbraw/zinc/48/55/74/1073485574.db2.gz SLHZRYZVCCLVPV-CABCVRRESA-N 1 0 390.488 -0.033 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)nn1 ZINC000662961126 1073485684 /nfs/dbraw/zinc/48/56/84/1073485684.db2.gz SLHZRYZVCCLVPV-GJZGRUSLSA-N 1 0 390.488 -0.033 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)nn1 ZINC000662961127 1073485723 /nfs/dbraw/zinc/48/57/23/1073485723.db2.gz SLHZRYZVCCLVPV-HUUCEWRRSA-N 1 0 390.488 -0.033 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)nn1 ZINC000662961129 1073485262 /nfs/dbraw/zinc/48/52/62/1073485262.db2.gz SLHZRYZVCCLVPV-LSDHHAIUSA-N 1 0 390.488 -0.033 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)nn1 ZINC000662961246 1073486243 /nfs/dbraw/zinc/48/62/43/1073486243.db2.gz VXDPFBQBQXMNGK-AWEZNQCLSA-N 1 0 392.460 -0.900 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)nn1 ZINC000662961248 1073486107 /nfs/dbraw/zinc/48/61/07/1073486107.db2.gz VXDPFBQBQXMNGK-CQSZACIVSA-N 1 0 392.460 -0.900 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000662962564 1073486646 /nfs/dbraw/zinc/48/66/46/1073486646.db2.gz LFOQTFQIDNQDMI-AKENFEQQSA-N 1 0 385.415 -0.056 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000662962565 1073486548 /nfs/dbraw/zinc/48/65/48/1073486548.db2.gz LFOQTFQIDNQDMI-DAWNXDAASA-N 1 0 385.415 -0.056 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000662962566 1073486304 /nfs/dbraw/zinc/48/63/04/1073486304.db2.gz LFOQTFQIDNQDMI-HWAANXBSSA-N 1 0 385.415 -0.056 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000662962567 1073486212 /nfs/dbraw/zinc/48/62/12/1073486212.db2.gz LFOQTFQIDNQDMI-JCKZUZKGSA-N 1 0 385.415 -0.056 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)C[C@H]1C[NH3+] ZINC000662962789 1073486257 /nfs/dbraw/zinc/48/62/57/1073486257.db2.gz JKXKXBDYZTYTEW-CHWSQXEVSA-N 1 0 378.477 -0.260 20 0 GBADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)C1 ZINC000662962946 1073487282 /nfs/dbraw/zinc/48/72/82/1073487282.db2.gz OYASQQSQNBPCBX-FGTMMUONSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)C1 ZINC000662962947 1073487324 /nfs/dbraw/zinc/48/73/24/1073487324.db2.gz OYASQQSQNBPCBX-KURKYZTESA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)C1 ZINC000662962948 1073487588 /nfs/dbraw/zinc/48/75/88/1073487588.db2.gz OYASQQSQNBPCBX-KZNAEPCWSA-N 1 0 394.516 -0.336 20 0 GBADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)C1 ZINC000662962949 1073487501 /nfs/dbraw/zinc/48/75/01/1073487501.db2.gz OYASQQSQNBPCBX-SQNIBIBYSA-N 1 0 394.516 -0.336 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)CC2)nn1 ZINC000662963396 1073487601 /nfs/dbraw/zinc/48/76/01/1073487601.db2.gz UFIUFQRXCXSZOE-UHFFFAOYSA-N 1 0 388.472 -0.122 20 0 GBADRO C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662963566 1073487217 /nfs/dbraw/zinc/48/72/17/1073487217.db2.gz VOPOUVYPTYMQGJ-IYBDPMFKSA-N 1 0 386.452 -0.302 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC000662964924 1073486281 /nfs/dbraw/zinc/48/62/81/1073486281.db2.gz BDXPERAPZJPUAI-GYSYKLTISA-N 1 0 397.419 -0.368 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC000662964927 1073486740 /nfs/dbraw/zinc/48/67/40/1073486740.db2.gz BDXPERAPZJPUAI-JTNHKYCSSA-N 1 0 397.419 -0.368 20 0 GBADRO [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000662965021 1073487510 /nfs/dbraw/zinc/48/75/10/1073487510.db2.gz BVTJXNPVSSFEMR-IYBDPMFKSA-N 1 0 384.436 -0.420 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)nn1 ZINC000662965846 1073486525 /nfs/dbraw/zinc/48/65/25/1073486525.db2.gz CTNNLACOOSRGBU-CABCVRRESA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)nn1 ZINC000662965848 1073486683 /nfs/dbraw/zinc/48/66/83/1073486683.db2.gz CTNNLACOOSRGBU-GJZGRUSLSA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)nn1 ZINC000662965850 1073487459 /nfs/dbraw/zinc/48/74/59/1073487459.db2.gz CTNNLACOOSRGBU-HUUCEWRRSA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)nn1 ZINC000662965852 1073487552 /nfs/dbraw/zinc/48/75/52/1073487552.db2.gz CTNNLACOOSRGBU-LSDHHAIUSA-N 1 0 388.472 -0.266 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662966595 1073487290 /nfs/dbraw/zinc/48/72/90/1073487290.db2.gz SRBPFXFFFURWDL-INIZCTEOSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662966596 1073487301 /nfs/dbraw/zinc/48/73/01/1073487301.db2.gz SRBPFXFFFURWDL-MRXNPFEDSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662967297 1073487567 /nfs/dbraw/zinc/48/75/67/1073487567.db2.gz ZHYNASITRYKASS-INIZCTEOSA-N 1 0 389.504 -0.298 20 0 GBADRO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662967298 1073487357 /nfs/dbraw/zinc/48/73/57/1073487357.db2.gz ZHYNASITRYKASS-MRXNPFEDSA-N 1 0 389.504 -0.298 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)nn1 ZINC000662967761 1073487468 /nfs/dbraw/zinc/48/74/68/1073487468.db2.gz IHBGFBDQOKMEJZ-GASCZTMLSA-N 1 0 388.472 -0.123 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C[C@H]21 ZINC000662970038 1073488576 /nfs/dbraw/zinc/48/85/76/1073488576.db2.gz MAPYNSMAWZBNPH-XHSDSOJGSA-N 1 0 399.513 -0.753 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[C@H]1C(F)(F)F ZINC000662970768 1073487264 /nfs/dbraw/zinc/48/72/64/1073487264.db2.gz QHXYUGGEKLQVCG-DDHJBXDOSA-N 1 0 397.419 -0.369 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1C(F)(F)F ZINC000662970769 1073487224 /nfs/dbraw/zinc/48/72/24/1073487224.db2.gz QHXYUGGEKLQVCG-IRCOFANPSA-N 1 0 397.419 -0.369 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1C(F)(F)F ZINC000662970770 1073487540 /nfs/dbraw/zinc/48/75/40/1073487540.db2.gz QHXYUGGEKLQVCG-WHOHXGKFSA-N 1 0 397.419 -0.369 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[C@H]1C(F)(F)F ZINC000662970771 1073488394 /nfs/dbraw/zinc/48/83/94/1073488394.db2.gz QHXYUGGEKLQVCG-WISYIIOYSA-N 1 0 397.419 -0.369 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662971075 1073488552 /nfs/dbraw/zinc/48/85/52/1073488552.db2.gz BSHKANFRNZYLJC-BMFZPTHFSA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662971076 1073488483 /nfs/dbraw/zinc/48/84/83/1073488483.db2.gz BSHKANFRNZYLJC-FVQBIDKESA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662971077 1073488563 /nfs/dbraw/zinc/48/85/63/1073488563.db2.gz BSHKANFRNZYLJC-KBMXLJTQSA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662971078 1073488434 /nfs/dbraw/zinc/48/84/34/1073488434.db2.gz BSHKANFRNZYLJC-VNQPRFMTSA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662972441 1073488596 /nfs/dbraw/zinc/48/85/96/1073488596.db2.gz PRCVGKAZIADOHM-BRWVUGGUSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662972442 1073488346 /nfs/dbraw/zinc/48/83/46/1073488346.db2.gz PRCVGKAZIADOHM-IKGGRYGDSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662972443 1073488207 /nfs/dbraw/zinc/48/82/07/1073488207.db2.gz PRCVGKAZIADOHM-IXDOHACOSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662972445 1073488322 /nfs/dbraw/zinc/48/83/22/1073488322.db2.gz PRCVGKAZIADOHM-ZACQAIPSSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H]1CCO ZINC000662972640 1073488666 /nfs/dbraw/zinc/48/86/66/1073488666.db2.gz QGQIEFLEKBPFLA-BRWVUGGUSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@H]1CCO ZINC000662972641 1073488261 /nfs/dbraw/zinc/48/82/61/1073488261.db2.gz QGQIEFLEKBPFLA-IKGGRYGDSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[C@@H]1CCO ZINC000662972642 1073488331 /nfs/dbraw/zinc/48/83/31/1073488331.db2.gz QGQIEFLEKBPFLA-IXDOHACOSA-N 1 0 394.516 -0.334 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[C@H]1CCO ZINC000662972643 1073488507 /nfs/dbraw/zinc/48/85/07/1073488507.db2.gz QGQIEFLEKBPFLA-ZACQAIPSSA-N 1 0 394.516 -0.334 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000662973034 1073489580 /nfs/dbraw/zinc/48/95/80/1073489580.db2.gz OJUCHZNMTPOVBI-BBWFWOEESA-N 1 0 380.489 -0.726 20 0 GBADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000662973035 1073489618 /nfs/dbraw/zinc/48/96/18/1073489618.db2.gz OJUCHZNMTPOVBI-ZACQAIPSSA-N 1 0 380.489 -0.726 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)nn1 ZINC000662973394 1073489652 /nfs/dbraw/zinc/48/96/52/1073489652.db2.gz WXDDYWOWMUGSNI-IBGZPJMESA-N 1 0 388.472 -0.264 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)nn1 ZINC000662973395 1073489335 /nfs/dbraw/zinc/48/93/35/1073489335.db2.gz WXDDYWOWMUGSNI-LJQANCHMSA-N 1 0 388.472 -0.264 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)[C@H]1CCO ZINC000662973464 1073488636 /nfs/dbraw/zinc/48/86/36/1073488636.db2.gz ZOKTXSIMXOWGEX-BMFZPTHFSA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)[C@@H]1CCO ZINC000662973465 1073489373 /nfs/dbraw/zinc/48/93/73/1073489373.db2.gz ZOKTXSIMXOWGEX-FVQBIDKESA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@H]1CCO ZINC000662973467 1073489318 /nfs/dbraw/zinc/48/93/18/1073489318.db2.gz ZOKTXSIMXOWGEX-KBMXLJTQSA-N 1 0 378.477 -0.090 20 0 GBADRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@@H]1CCO ZINC000662973469 1073489265 /nfs/dbraw/zinc/48/92/65/1073489265.db2.gz ZOKTXSIMXOWGEX-VNQPRFMTSA-N 1 0 378.477 -0.090 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000662975685 1073488297 /nfs/dbraw/zinc/48/82/97/1073488297.db2.gz AJLMSSXTBSOYRG-UHFFFAOYSA-N 1 0 382.468 -0.072 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C[C@H]1C(F)(F)F ZINC000662975812 530160472 /nfs/dbraw/zinc/16/04/72/530160472.db2.gz KEHBCNQYZDRXGQ-LIVJGEBJSA-N 1 0 383.392 -0.630 20 0 GBADRO Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)cn1 ZINC000662976671 1073488680 /nfs/dbraw/zinc/48/86/80/1073488680.db2.gz PIEGGBOSTADRED-UHFFFAOYSA-N 1 0 388.472 -0.662 20 0 GBADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662976977 1073489193 /nfs/dbraw/zinc/48/91/93/1073489193.db2.gz RQVUFLCYMHIZJS-CUXMIQLJSA-N 1 0 396.447 -0.420 20 0 GBADRO NS(=O)(=O)c1cc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)ccc1F ZINC000662977833 1073489470 /nfs/dbraw/zinc/48/94/70/1073489470.db2.gz LNHOVLCYHQAXAQ-LLVKDONJSA-N 1 0 382.421 -0.081 20 0 GBADRO NS(=O)(=O)c1cc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)ccc1F ZINC000662977836 1073489296 /nfs/dbraw/zinc/48/92/96/1073489296.db2.gz LNHOVLCYHQAXAQ-NSHDSACASA-N 1 0 382.421 -0.081 20 0 GBADRO NS(=O)(=O)c1cc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)ccc1F ZINC000662978332 1073489570 /nfs/dbraw/zinc/48/95/70/1073489570.db2.gz PEUPVLCBXNOSGP-LLVKDONJSA-N 1 0 382.421 -0.253 20 0 GBADRO NS(=O)(=O)c1cc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)ccc1F ZINC000662978333 1073489612 /nfs/dbraw/zinc/48/96/12/1073489612.db2.gz PEUPVLCBXNOSGP-NSHDSACASA-N 1 0 382.421 -0.253 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662978405 1073489327 /nfs/dbraw/zinc/48/93/27/1073489327.db2.gz PBSVWBYFRACRSV-CZDRUDQFSA-N 1 0 385.468 -0.693 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662978407 1073489357 /nfs/dbraw/zinc/48/93/57/1073489357.db2.gz PBSVWBYFRACRSV-FXUPRZHBSA-N 1 0 385.468 -0.693 20 0 GBADRO COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C2 ZINC000662978778 1073489398 /nfs/dbraw/zinc/48/93/98/1073489398.db2.gz RYPKIQRKEKJVIT-INIZCTEOSA-N 1 0 388.468 -0.107 20 0 GBADRO COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C2 ZINC000662978780 1073489257 /nfs/dbraw/zinc/48/92/57/1073489257.db2.gz RYPKIQRKEKJVIT-MRXNPFEDSA-N 1 0 388.468 -0.107 20 0 GBADRO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662982106 1073489656 /nfs/dbraw/zinc/48/96/56/1073489656.db2.gz AWCAFMQQIFZDNW-IKGGRYGDSA-N 1 0 393.532 -0.273 20 0 GBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662982108 1073489638 /nfs/dbraw/zinc/48/96/38/1073489638.db2.gz AWCAFMQQIFZDNW-ZACQAIPSSA-N 1 0 393.532 -0.273 20 0 GBADRO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)ncn1 ZINC000662982257 1073489628 /nfs/dbraw/zinc/48/96/28/1073489628.db2.gz DAYMZVDJWNKWNW-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)[C@H](C[NH3+])C1 ZINC000662983605 1073490705 /nfs/dbraw/zinc/49/07/05/1073490705.db2.gz DNFZSOKLVPFWLD-KGLIPLIRSA-N 1 0 376.461 -0.985 20 0 GBADRO COCc1noc(CN2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)n1 ZINC000662984139 1073490095 /nfs/dbraw/zinc/49/00/95/1073490095.db2.gz OHNJVYKCVKVBIB-KGLIPLIRSA-N 1 0 394.476 -0.554 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662984473 1073490177 /nfs/dbraw/zinc/49/01/77/1073490177.db2.gz SBFWXYJTDTZMBI-ILXRZTDVSA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)[C@H](C[NH3+])C1 ZINC000662984474 1073490767 /nfs/dbraw/zinc/49/07/67/1073490767.db2.gz SBFWXYJTDTZMBI-KFWWJZLASA-N 1 0 386.518 -0.401 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)[C@H](C[NH3+])C1 ZINC000662985122 1073490520 /nfs/dbraw/zinc/49/05/20/1073490520.db2.gz YAMGYSSYFBVCSF-SUFBMKPHSA-N 1 0 379.461 -0.591 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)[C@H](C[NH3+])C1 ZINC000662985124 1073490259 /nfs/dbraw/zinc/49/02/59/1073490259.db2.gz YAMGYSSYFBVCSF-YNKQFZHNSA-N 1 0 379.461 -0.591 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000662985588 1073490577 /nfs/dbraw/zinc/49/05/77/1073490577.db2.gz YXVODFPLYXNBDS-OWCLPIDISA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000662985589 1073490299 /nfs/dbraw/zinc/49/02/99/1073490299.db2.gz YXVODFPLYXNBDS-PMPSAXMXSA-N 1 0 380.489 -0.317 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)[C@H](C[NH3+])C1 ZINC000662986182 1073491486 /nfs/dbraw/zinc/49/14/86/1073491486.db2.gz AGKOADIQASIJIP-HIFRSBDPSA-N 1 0 388.472 -0.585 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662986382 1073491664 /nfs/dbraw/zinc/49/16/64/1073491664.db2.gz DIUGSGISIXVXPA-SJORKVTESA-N 1 0 393.532 -0.271 20 0 GBADRO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)n1 ZINC000662986498 1073490195 /nfs/dbraw/zinc/49/01/95/1073490195.db2.gz GHXFHGZQJKWDOM-KGLIPLIRSA-N 1 0 376.461 -0.280 20 0 GBADRO CCO[C@@H]1CN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C[C@H]1C[NH3+] ZINC000662986718 1073490782 /nfs/dbraw/zinc/49/07/82/1073490782.db2.gz AAQCGFDLCGMQKZ-IAGOWNOFSA-N 1 0 382.505 -0.621 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000662986762 1073490241 /nfs/dbraw/zinc/49/02/41/1073490241.db2.gz BGGQMWDAMXVGIP-UHFFFAOYSA-N 1 0 396.532 -0.216 20 0 GBADRO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662986964 1073490664 /nfs/dbraw/zinc/49/06/64/1073490664.db2.gz JWAMOPAKHWRXBK-OAGGEKHMSA-N 1 0 381.521 -0.369 20 0 GBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662986965 1073490079 /nfs/dbraw/zinc/49/00/79/1073490079.db2.gz JWAMOPAKHWRXBK-PMPSAXMXSA-N 1 0 381.521 -0.369 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987318 1073490591 /nfs/dbraw/zinc/49/05/91/1073490591.db2.gz NJTZNRMOTNBJQC-FMKPAKJESA-N 1 0 379.505 -0.617 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987319 1073490159 /nfs/dbraw/zinc/49/01/59/1073490159.db2.gz NJTZNRMOTNBJQC-YCPHGPKFSA-N 1 0 379.505 -0.617 20 0 GBADRO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N(CCN1CCOCC1)CC1CC1 ZINC000662987614 1073490279 /nfs/dbraw/zinc/49/02/79/1073490279.db2.gz KIFVMKIZZMBQGK-GOSISDBHSA-N 1 0 393.532 -0.937 20 0 GBADRO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N(CCN1CCOCC1)CC1CC1 ZINC000662987615 1073490208 /nfs/dbraw/zinc/49/02/08/1073490208.db2.gz KIFVMKIZZMBQGK-SFHVURJKSA-N 1 0 393.532 -0.937 20 0 GBADRO O=C(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000662987874 1073490488 /nfs/dbraw/zinc/49/04/88/1073490488.db2.gz OFRDUBCIYXKMEA-GOSISDBHSA-N 1 0 393.532 -0.937 20 0 GBADRO O=C(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000662987875 1073490384 /nfs/dbraw/zinc/49/03/84/1073490384.db2.gz OFRDUBCIYXKMEA-SFHVURJKSA-N 1 0 393.532 -0.937 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000662988242 1073491291 /nfs/dbraw/zinc/49/12/91/1073491291.db2.gz RYRWTULHCJEFAS-OAGGEKHMSA-N 1 0 395.504 -0.445 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000662988243 1073491674 /nfs/dbraw/zinc/49/16/74/1073491674.db2.gz RYRWTULHCJEFAS-XHSDSOJGSA-N 1 0 395.504 -0.445 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662988286 1073491238 /nfs/dbraw/zinc/49/12/38/1073491238.db2.gz RMXOWSCBEVFFRQ-CVEARBPZSA-N 1 0 379.505 -0.661 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000662988316 1073491335 /nfs/dbraw/zinc/49/13/35/1073491335.db2.gz RZPJQKYRCDTJRE-WBVHZDCISA-N 1 0 393.532 -0.415 20 0 GBADRO [NH3+]CCCOC1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000662988619 1073491324 /nfs/dbraw/zinc/49/13/24/1073491324.db2.gz WBHASVLKLMLZRC-UHFFFAOYSA-N 1 0 396.532 -0.086 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662988671 1073491444 /nfs/dbraw/zinc/49/14/44/1073491444.db2.gz VTAOQOXKBAJPLQ-CVEARBPZSA-N 1 0 381.521 -0.415 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000662988713 1073491329 /nfs/dbraw/zinc/49/13/29/1073491329.db2.gz XRGBRUAVDRSOPI-CABCVRRESA-N 1 0 395.504 -0.585 20 0 GBADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000662988714 1073491319 /nfs/dbraw/zinc/49/13/19/1073491319.db2.gz XRGBRUAVDRSOPI-GJZGRUSLSA-N 1 0 395.504 -0.585 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000662988715 1073491285 /nfs/dbraw/zinc/49/12/85/1073491285.db2.gz XRGBRUAVDRSOPI-HUUCEWRRSA-N 1 0 395.504 -0.585 20 0 GBADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000662988716 1073491562 /nfs/dbraw/zinc/49/15/62/1073491562.db2.gz XRGBRUAVDRSOPI-LSDHHAIUSA-N 1 0 395.504 -0.585 20 0 GBADRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)[C@H](C[NH3+])C1 ZINC000662988925 1073490530 /nfs/dbraw/zinc/49/05/30/1073490530.db2.gz XUQKACWOIZNKTM-KGLIPLIRSA-N 1 0 388.472 -0.585 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)nn1 ZINC000662989205 1073491309 /nfs/dbraw/zinc/49/13/09/1073491309.db2.gz BNFNSPBNQRFGPM-AUUYWEPGSA-N 1 0 390.488 -0.033 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC[C@H]1F ZINC000662989227 530160542 /nfs/dbraw/zinc/16/05/42/530160542.db2.gz CLVXMWKOTALAQE-CHWSQXEVSA-N 1 0 375.466 -0.156 20 0 GBADRO CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)C2 ZINC000662989391 1073491683 /nfs/dbraw/zinc/49/16/83/1073491683.db2.gz FNSQUBVNHXJFTO-AWEZNQCLSA-N 1 0 389.504 -0.576 20 0 GBADRO CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CC[C@@H](N3CC[NH2+]CC3)C1)C2 ZINC000662989392 1073491382 /nfs/dbraw/zinc/49/13/82/1073491382.db2.gz FNSQUBVNHXJFTO-CQSZACIVSA-N 1 0 389.504 -0.576 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)CC2)nn1 ZINC000662989493 1073491694 /nfs/dbraw/zinc/49/16/94/1073491694.db2.gz HRXLMUYDQGWALT-AWEZNQCLSA-N 1 0 376.461 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)CC2)nn1 ZINC000662989494 1073491460 /nfs/dbraw/zinc/49/14/60/1073491460.db2.gz HRXLMUYDQGWALT-CQSZACIVSA-N 1 0 376.461 -0.266 20 0 GBADRO Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)cn1 ZINC000662989572 1073491349 /nfs/dbraw/zinc/49/13/49/1073491349.db2.gz IABVZEUXSCLYJM-HUUCEWRRSA-N 1 0 394.451 -0.714 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)nn1 ZINC000662989626 1073491403 /nfs/dbraw/zinc/49/14/03/1073491403.db2.gz KPPIKVMZUYCRDW-CABCVRRESA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)nn1 ZINC000662989627 1073491701 /nfs/dbraw/zinc/49/17/01/1073491701.db2.gz KPPIKVMZUYCRDW-GJZGRUSLSA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)nn1 ZINC000662989628 1073491345 /nfs/dbraw/zinc/49/13/45/1073491345.db2.gz KPPIKVMZUYCRDW-HUUCEWRRSA-N 1 0 388.472 -0.266 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)nn1 ZINC000662989629 1073491298 /nfs/dbraw/zinc/49/12/98/1073491298.db2.gz KPPIKVMZUYCRDW-LSDHHAIUSA-N 1 0 388.472 -0.266 20 0 GBADRO NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662989865 1073491364 /nfs/dbraw/zinc/49/13/64/1073491364.db2.gz NINGKFPHZBJEKH-BZUAXINKSA-N 1 0 391.447 -0.745 20 0 GBADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662989869 1073491473 /nfs/dbraw/zinc/49/14/73/1073491473.db2.gz NINGKFPHZBJEKH-OAGGEKHMSA-N 1 0 391.447 -0.745 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000662989924 530160535 /nfs/dbraw/zinc/16/05/35/530160535.db2.gz ANLWDFRMVAUHSD-ZYUZMQFOSA-N 1 0 389.371 -0.682 20 0 GBADRO CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CCN([C@H]3CC[NH2+]C3)CC1)C2 ZINC000662990772 1073491466 /nfs/dbraw/zinc/49/14/66/1073491466.db2.gz WZDPUHPENJEVDT-AWEZNQCLSA-N 1 0 389.504 -0.576 20 0 GBADRO CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)N1CCN([C@@H]3CC[NH2+]C3)CC1)C2 ZINC000662990773 1073491450 /nfs/dbraw/zinc/49/14/50/1073491450.db2.gz WZDPUHPENJEVDT-CQSZACIVSA-N 1 0 389.504 -0.576 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CC[C@H]1F ZINC000662990868 1073491521 /nfs/dbraw/zinc/49/15/21/1073491521.db2.gz XYLBEFQJXOTXCT-HZPDHXFCSA-N 1 0 388.447 -0.124 20 0 GBADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC[C@H]1F ZINC000662991951 1073491410 /nfs/dbraw/zinc/49/14/10/1073491410.db2.gz DQMLXZAEIYJOBD-TVFCKZIOSA-N 1 0 390.459 -0.004 20 0 GBADRO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)nn1 ZINC000662992319 1073492434 /nfs/dbraw/zinc/49/24/34/1073492434.db2.gz FTTILLJTOOHDMR-CHWSQXEVSA-N 1 0 380.424 -0.578 20 0 GBADRO 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C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305522 1073556500 /nfs/dbraw/zinc/55/65/00/1073556500.db2.gz ZWABRCALOSQGHL-DGCLKSJQSA-N 1 0 379.461 -0.920 20 0 GBADRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305524 1073556285 /nfs/dbraw/zinc/55/62/85/1073556285.db2.gz ZWABRCALOSQGHL-WCQYABFASA-N 1 0 379.461 -0.920 20 0 GBADRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000663305526 1073556358 /nfs/dbraw/zinc/55/63/58/1073556358.db2.gz ZWABRCALOSQGHL-YPMHNXCESA-N 1 0 379.461 -0.920 20 0 GBADRO C[C@]1(NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000663311623 1073558121 /nfs/dbraw/zinc/55/81/21/1073558121.db2.gz NCVOMYPGQMJCHV-KRWDZBQOSA-N 1 0 381.454 -0.029 20 0 GBADRO C[C@@]1(NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000663311750 1073558718 /nfs/dbraw/zinc/55/87/18/1073558718.db2.gz NCVOMYPGQMJCHV-QGZVFWFLSA-N 1 0 381.454 -0.029 20 0 GBADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000663312552 530161035 /nfs/dbraw/zinc/16/10/35/530161035.db2.gz ZBIFIDFFQNCJJX-MRVPVSSYSA-N 1 0 381.336 -0.456 20 0 GBADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000663312554 530161059 /nfs/dbraw/zinc/16/10/59/530161059.db2.gz ZBIFIDFFQNCJJX-QMMMGPOBSA-N 1 0 381.336 -0.456 20 0 GBADRO COc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000663313778 1073558549 /nfs/dbraw/zinc/55/85/49/1073558549.db2.gz RHMVIRZHHNCYTP-CVEARBPZSA-N 1 0 382.442 -0.220 20 0 GBADRO COc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000663313779 1073558451 /nfs/dbraw/zinc/55/84/51/1073558451.db2.gz RHMVIRZHHNCYTP-HOTGVXAUSA-N 1 0 382.442 -0.220 20 0 GBADRO COc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000663313780 1073558573 /nfs/dbraw/zinc/55/85/73/1073558573.db2.gz RHMVIRZHHNCYTP-HZPDHXFCSA-N 1 0 382.442 -0.220 20 0 GBADRO COc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000663313781 1073558761 /nfs/dbraw/zinc/55/87/61/1073558761.db2.gz RHMVIRZHHNCYTP-JKSUJKDBSA-N 1 0 382.442 -0.220 20 0 GBADRO C[C@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]C1 ZINC000663313837 530160996 /nfs/dbraw/zinc/16/09/96/530160996.db2.gz UVSWXZPUVJTXEV-HNNXBMFYSA-N 1 0 389.499 -0.262 20 0 GBADRO C[C@@]1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[NH2+]C1 ZINC000663313838 530161208 /nfs/dbraw/zinc/16/12/08/530161208.db2.gz UVSWXZPUVJTXEV-OAHLLOKOSA-N 1 0 389.499 -0.262 20 0 GBADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663363975 1073570028 /nfs/dbraw/zinc/57/00/28/1073570028.db2.gz DQCABYNYQGOVLY-GOSISDBHSA-N 1 0 398.525 -0.221 20 0 GBADRO O=S1(=O)CCC(O)(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663363976 1073569676 /nfs/dbraw/zinc/56/96/76/1073569676.db2.gz DQCABYNYQGOVLY-SFHVURJKSA-N 1 0 398.525 -0.221 20 0 GBADRO OC[C@@]1(C[NH2+]C[C@H](O)CN2CCOCC2)COCCN1Cc1ccccc1 ZINC000663366135 1073569751 /nfs/dbraw/zinc/56/97/51/1073569751.db2.gz UZGMOETZDLDWQH-PMACEKPBSA-N 1 0 379.501 -0.467 20 0 GBADRO OC[C@@]1(C[NH2+]C[C@@H](O)CN2CCOCC2)COCCN1Cc1ccccc1 ZINC000663366136 1073570521 /nfs/dbraw/zinc/57/05/21/1073570521.db2.gz UZGMOETZDLDWQH-UXHICEINSA-N 1 0 379.501 -0.467 20 0 GBADRO OC[C@]1(C[NH2+]C[C@H](O)CN2CCOCC2)COCCN1Cc1ccccc1 ZINC000663366137 1073570823 /nfs/dbraw/zinc/57/08/23/1073570823.db2.gz UZGMOETZDLDWQH-VQTJNVASSA-N 1 0 379.501 -0.467 20 0 GBADRO OC[C@]1(C[NH2+]C[C@@H](O)CN2CCOCC2)COCCN1Cc1ccccc1 ZINC000663366138 1073570471 /nfs/dbraw/zinc/57/04/71/1073570471.db2.gz UZGMOETZDLDWQH-WOJBJXKFSA-N 1 0 379.501 -0.467 20 0 GBADRO Cn1c(=O)cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n(C)c1=O ZINC000663389773 1073577823 /nfs/dbraw/zinc/57/78/23/1073577823.db2.gz WXUNJQXXABPFRM-UHFFFAOYSA-N 1 0 377.489 -0.098 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000663407357 1073581550 /nfs/dbraw/zinc/58/15/50/1073581550.db2.gz FPIILDWWCRTBIX-UHFFFAOYSA-N 1 0 385.490 -0.505 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000663447999 1073589861 /nfs/dbraw/zinc/58/98/61/1073589861.db2.gz YOGCTKJAIDIVOC-INIZCTEOSA-N 1 0 383.518 -0.049 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000663448001 1073589633 /nfs/dbraw/zinc/58/96/33/1073589633.db2.gz YOGCTKJAIDIVOC-MRXNPFEDSA-N 1 0 383.518 -0.049 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000663478987 530161150 /nfs/dbraw/zinc/16/11/50/530161150.db2.gz CBKBMVDNWVEQSI-AWEZNQCLSA-N 1 0 377.511 -0.865 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000663478988 530160797 /nfs/dbraw/zinc/16/07/97/530160797.db2.gz CBKBMVDNWVEQSI-CQSZACIVSA-N 1 0 377.511 -0.865 20 0 GBADRO COc1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000663482539 1073595657 /nfs/dbraw/zinc/59/56/57/1073595657.db2.gz APNLSKHDPGZUKR-UHFFFAOYSA-N 1 0 399.469 -0.427 20 0 GBADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663482654 1073595749 /nfs/dbraw/zinc/59/57/49/1073595749.db2.gz BWEBCZDWKZILOE-UHFFFAOYSA-N 1 0 381.454 -0.478 20 0 GBADRO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663482906 1073595229 /nfs/dbraw/zinc/59/52/29/1073595229.db2.gz HZZJHBALNRMKQU-UHFFFAOYSA-N 1 0 381.454 -0.478 20 0 GBADRO COc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1S(=O)(=O)NC1CC1 ZINC000663483223 1073595490 /nfs/dbraw/zinc/59/54/90/1073595490.db2.gz BOCYDPZHRFYMEO-UHFFFAOYSA-N 1 0 381.454 -0.050 20 0 GBADRO O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663483325 1073595559 /nfs/dbraw/zinc/59/55/59/1073595559.db2.gz DBPQUIQXARDJRR-HNNXBMFYSA-N 1 0 395.481 -0.042 20 0 GBADRO O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663483328 1073595684 /nfs/dbraw/zinc/59/56/84/1073595684.db2.gz DBPQUIQXARDJRR-OAHLLOKOSA-N 1 0 395.481 -0.042 20 0 GBADRO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000663483874 1073595787 /nfs/dbraw/zinc/59/57/87/1073595787.db2.gz JYQVSOONZWUULJ-UHFFFAOYSA-N 1 0 383.470 -0.266 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663484853 1073596229 /nfs/dbraw/zinc/59/62/29/1073596229.db2.gz VYSVMCFYBOJMPV-AWEZNQCLSA-N 1 0 398.485 -0.107 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663484854 1073596778 /nfs/dbraw/zinc/59/67/78/1073596778.db2.gz VYSVMCFYBOJMPV-CQSZACIVSA-N 1 0 398.485 -0.107 20 0 GBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000663485073 1073596319 /nfs/dbraw/zinc/59/63/19/1073596319.db2.gz MGPJEJKWOXISTP-UHFFFAOYSA-N 1 0 398.485 -0.920 20 0 GBADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663485108 530161269 /nfs/dbraw/zinc/16/12/69/530161269.db2.gz YFDIHLCSXYYAKY-UHFFFAOYSA-N 1 0 375.397 -0.166 20 0 GBADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663485215 1073596376 /nfs/dbraw/zinc/59/63/76/1073596376.db2.gz NTEYZWKAMFUPFI-UHFFFAOYSA-N 1 0 383.470 -0.046 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663485326 1073596288 /nfs/dbraw/zinc/59/62/88/1073596288.db2.gz PPQOIUQMYZYNRB-UHFFFAOYSA-N 1 0 381.454 -0.242 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663485539 1073597673 /nfs/dbraw/zinc/59/76/73/1073597673.db2.gz UUQSKNPSLCJHSP-LBPRGKRZSA-N 1 0 396.469 -0.487 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663485720 1073597883 /nfs/dbraw/zinc/59/78/83/1073597883.db2.gz XHQSBRMSMJCDRH-UHFFFAOYSA-N 1 0 396.469 -0.534 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000663486117 1073596648 /nfs/dbraw/zinc/59/66/48/1073596648.db2.gz URXLNDQDECTOFO-UHFFFAOYSA-N 1 0 381.454 -0.242 20 0 GBADRO O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487563 1073597798 /nfs/dbraw/zinc/59/77/98/1073597798.db2.gz HBLYLTCSEAIJBK-UHFFFAOYSA-N 1 0 379.482 -0.269 20 0 GBADRO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488513 530161122 /nfs/dbraw/zinc/16/11/22/530161122.db2.gz RKZGDGZMWJMTQT-UHFFFAOYSA-N 1 0 386.499 -0.433 20 0 GBADRO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488765 1073598975 /nfs/dbraw/zinc/59/89/75/1073598975.db2.gz YGQGQJNGKNXJFB-INIZCTEOSA-N 1 0 399.451 -0.263 20 0 GBADRO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488767 1073598809 /nfs/dbraw/zinc/59/88/09/1073598809.db2.gz YGQGQJNGKNXJFB-MRXNPFEDSA-N 1 0 399.451 -0.263 20 0 GBADRO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489547 1073598478 /nfs/dbraw/zinc/59/84/78/1073598478.db2.gz SPLWFNQXEVJEIT-KRWDZBQOSA-N 1 0 384.436 -0.337 20 0 GBADRO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489548 1073598376 /nfs/dbraw/zinc/59/83/76/1073598376.db2.gz SPLWFNQXEVJEIT-QGZVFWFLSA-N 1 0 384.436 -0.337 20 0 GBADRO O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663490726 530161043 /nfs/dbraw/zinc/16/10/43/530161043.db2.gz ASSSAGTYFVECOA-UHFFFAOYSA-N 1 0 387.483 -0.417 20 0 GBADRO Cn1c2ccc(NC(=O)CCC(=O)N3CCOC4(C[NH2+]C4)C3)nc2n(C)c1=O ZINC000663490755 1073598625 /nfs/dbraw/zinc/59/86/25/1073598625.db2.gz HIMJALDLYNOXRN-UHFFFAOYSA-N 1 0 388.428 -0.809 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663491955 1073599762 /nfs/dbraw/zinc/59/97/62/1073599762.db2.gz OHTGLQGDUMWVTL-AWEZNQCLSA-N 1 0 397.501 -0.372 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663491956 1073599660 /nfs/dbraw/zinc/59/96/60/1073599660.db2.gz OHTGLQGDUMWVTL-CQSZACIVSA-N 1 0 397.501 -0.372 20 0 GBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492214 1073598272 /nfs/dbraw/zinc/59/82/72/1073598272.db2.gz PCPTYVRGTUMZAB-UHFFFAOYSA-N 1 0 395.481 -0.170 20 0 GBADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663494880 1073599591 /nfs/dbraw/zinc/59/95/91/1073599591.db2.gz YLNKYIVLCZYVBX-UHFFFAOYSA-N 1 0 382.380 -0.097 20 0 GBADRO NS(=O)(=O)c1ccc2[nH]c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nc2c1 ZINC000663540992 1073609923 /nfs/dbraw/zinc/60/99/23/1073609923.db2.gz YIVRKJWSBFXELZ-UHFFFAOYSA-N 1 0 392.485 -0.045 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(OCCO)CCOC3)cn2)CC1 ZINC000663545798 1073610639 /nfs/dbraw/zinc/61/06/39/1073610639.db2.gz IBCABAATBCQBNU-IBGZPJMESA-N 1 0 393.488 -0.199 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(OCCO)CCOC3)cn2)CC1 ZINC000663545804 1073610778 /nfs/dbraw/zinc/61/07/78/1073610778.db2.gz IBCABAATBCQBNU-LJQANCHMSA-N 1 0 393.488 -0.199 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663546714 530161915 /nfs/dbraw/zinc/16/19/15/530161915.db2.gz KGGKOTAYDKXKJJ-UHFFFAOYSA-N 1 0 377.511 -0.928 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663548198 530161454 /nfs/dbraw/zinc/16/14/54/530161454.db2.gz UXCVPETUBDMWBC-AWEZNQCLSA-N 1 0 377.555 -0.018 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000663550369 1073610590 /nfs/dbraw/zinc/61/05/90/1073610590.db2.gz QEHPVXNDMDUXKK-IRXDYDNUSA-N 1 0 376.457 -0.025 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000663554681 530161699 /nfs/dbraw/zinc/16/16/99/530161699.db2.gz VAAMJNUGIZBGSH-KBPBESRZSA-N 1 0 377.511 -0.723 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000663554683 530161843 /nfs/dbraw/zinc/16/18/43/530161843.db2.gz VAAMJNUGIZBGSH-OKILXGFUSA-N 1 0 377.511 -0.723 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000663554685 530161630 /nfs/dbraw/zinc/16/16/30/530161630.db2.gz VAAMJNUGIZBGSH-ZIAGYGMSSA-N 1 0 377.511 -0.723 20 0 GBADRO C[C@@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000663557961 530161946 /nfs/dbraw/zinc/16/19/46/530161946.db2.gz DUXDNBRWHGNOTQ-CQSZACIVSA-N 1 0 375.539 -0.312 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)C[C@H]21 ZINC000663558476 1073612644 /nfs/dbraw/zinc/61/26/44/1073612644.db2.gz QPRJITUDEWJWQT-ZNMIVQPWSA-N 1 0 388.534 -0.534 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000663559852 1073612917 /nfs/dbraw/zinc/61/29/17/1073612917.db2.gz HSXGOHRBVUEYIA-HNNXBMFYSA-N 1 0 390.554 -0.950 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000663559855 1073612873 /nfs/dbraw/zinc/61/28/73/1073612873.db2.gz HSXGOHRBVUEYIA-OAHLLOKOSA-N 1 0 390.554 -0.950 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000663559908 530161885 /nfs/dbraw/zinc/16/18/85/530161885.db2.gz IIUBHCCSBPBWPH-QLFBSQMISA-N 1 0 376.523 -0.630 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000663559910 530161542 /nfs/dbraw/zinc/16/15/42/530161542.db2.gz IIUBHCCSBPBWPH-RBSFLKMASA-N 1 0 376.523 -0.630 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000663559912 530161941 /nfs/dbraw/zinc/16/19/41/530161941.db2.gz IIUBHCCSBPBWPH-RRFJBIMHSA-N 1 0 376.523 -0.630 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000663559913 530161664 /nfs/dbraw/zinc/16/16/64/530161664.db2.gz IIUBHCCSBPBWPH-SOUVJXGZSA-N 1 0 376.523 -0.630 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000663560234 1073612684 /nfs/dbraw/zinc/61/26/84/1073612684.db2.gz JXWWDGJASMTWHS-CVEARBPZSA-N 1 0 389.566 -0.066 20 0 GBADRO CC(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000663560236 1073612730 /nfs/dbraw/zinc/61/27/30/1073612730.db2.gz JXWWDGJASMTWHS-HZPDHXFCSA-N 1 0 389.566 -0.066 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663561894 530161904 /nfs/dbraw/zinc/16/19/04/530161904.db2.gz CVWBYCUQYQYXJM-UHFFFAOYSA-N 1 0 377.555 -0.017 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@](C)(C(F)F)O1 ZINC000663562099 1073612553 /nfs/dbraw/zinc/61/25/53/1073612553.db2.gz RALZCKPPYRXBET-PXAZEXFGSA-N 1 0 390.431 -0.510 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@](C)(C(F)F)O1 ZINC000663562100 1073612520 /nfs/dbraw/zinc/61/25/20/1073612520.db2.gz RALZCKPPYRXBET-SJCJKPOMSA-N 1 0 390.431 -0.510 20 0 GBADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@](C)(C(F)F)O1 ZINC000663562101 1073612614 /nfs/dbraw/zinc/61/26/14/1073612614.db2.gz RALZCKPPYRXBET-SJKOYZFVSA-N 1 0 390.431 -0.510 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@](C)(C(F)F)O1 ZINC000663562102 1073612844 /nfs/dbraw/zinc/61/28/44/1073612844.db2.gz RALZCKPPYRXBET-YVEFUNNKSA-N 1 0 390.431 -0.510 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663562179 1073614047 /nfs/dbraw/zinc/61/40/47/1073614047.db2.gz GPIZBEFAZPBUID-UHFFFAOYSA-N 1 0 391.538 -0.538 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC000663565494 1073614030 /nfs/dbraw/zinc/61/40/30/1073614030.db2.gz VQIZIARGNXKZBB-KBPBESRZSA-N 1 0 381.477 -0.053 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000663566623 1073614738 /nfs/dbraw/zinc/61/47/38/1073614738.db2.gz MBXBQNFNNQVLKF-UHFFFAOYSA-N 1 0 399.517 -0.374 20 0 GBADRO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000663578561 530161919 /nfs/dbraw/zinc/16/19/19/530161919.db2.gz FXDLXDWHGSGODV-CQSZACIVSA-N 1 0 375.539 -0.312 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C[C@H]21 ZINC000663579432 1073617114 /nfs/dbraw/zinc/61/71/14/1073617114.db2.gz ZADVYMLAHSQGQD-XHSDSOJGSA-N 1 0 388.534 -0.534 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000663579881 1073618132 /nfs/dbraw/zinc/61/81/32/1073618132.db2.gz KFSHYEKONDSJAI-UHFFFAOYSA-N 1 0 396.517 -0.163 20 0 GBADRO CN(c1ncnc2c1nnn2C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000663582064 1073617236 /nfs/dbraw/zinc/61/72/36/1073617236.db2.gz AGWFWBBOTQECRG-UHFFFAOYSA-N 1 0 387.492 -0.567 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000663585149 1073618868 /nfs/dbraw/zinc/61/88/68/1073618868.db2.gz ZDUITWODIKKQLG-UHFFFAOYSA-N 1 0 399.517 -0.082 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000663585239 1073618844 /nfs/dbraw/zinc/61/88/44/1073618844.db2.gz FRGCDRHBHRSMOV-UHFFFAOYSA-N 1 0 399.517 -0.082 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C[C@@H]1O ZINC000663587366 1073619224 /nfs/dbraw/zinc/61/92/24/1073619224.db2.gz MZQPDHZCMNWXEL-HOTGVXAUSA-N 1 0 389.456 -0.925 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@]3(OCCO)CCOC3)ccn2)CC1 ZINC000663588191 1073619254 /nfs/dbraw/zinc/61/92/54/1073619254.db2.gz GQMIVOUWVASZEP-IBGZPJMESA-N 1 0 393.488 -0.199 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@]3(OCCO)CCOC3)ccn2)CC1 ZINC000663588192 1073619099 /nfs/dbraw/zinc/61/90/99/1073619099.db2.gz GQMIVOUWVASZEP-LJQANCHMSA-N 1 0 393.488 -0.199 20 0 GBADRO CN1CCN(C(=O)c2ccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000663588907 1073619440 /nfs/dbraw/zinc/61/94/40/1073619440.db2.gz OJORITLVTBKBTM-ROUUACIJSA-N 1 0 389.500 -0.110 20 0 GBADRO C[C@@]1(C(F)F)CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000663609616 1073623208 /nfs/dbraw/zinc/62/32/08/1073623208.db2.gz VQCBVAFHECEILR-INIZCTEOSA-N 1 0 384.387 -0.293 20 0 GBADRO C[C@]1(C(F)F)CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000663609617 1073622970 /nfs/dbraw/zinc/62/29/70/1073622970.db2.gz VQCBVAFHECEILR-MRXNPFEDSA-N 1 0 384.387 -0.293 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663610709 1073623935 /nfs/dbraw/zinc/62/39/35/1073623935.db2.gz KNSADQBJFCGVRQ-INIZCTEOSA-N 1 0 384.458 -0.449 20 0 GBADRO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663610711 1073624211 /nfs/dbraw/zinc/62/42/11/1073624211.db2.gz KNSADQBJFCGVRQ-MRXNPFEDSA-N 1 0 384.458 -0.449 20 0 GBADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663610787 1073624190 /nfs/dbraw/zinc/62/41/90/1073624190.db2.gz LYVXWLPOFZXBEV-KRWDZBQOSA-N 1 0 399.469 -0.078 20 0 GBADRO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663610788 1073624175 /nfs/dbraw/zinc/62/41/75/1073624175.db2.gz LYVXWLPOFZXBEV-QGZVFWFLSA-N 1 0 399.469 -0.078 20 0 GBADRO C[C@]1(NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]C1 ZINC000663611012 1073624011 /nfs/dbraw/zinc/62/40/11/1073624011.db2.gz MKGPTXVDFZAPGX-CKNLXJGOSA-N 1 0 386.452 -0.110 20 0 GBADRO C[C@]1(NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]C1 ZINC000663611013 1073624103 /nfs/dbraw/zinc/62/41/03/1073624103.db2.gz MKGPTXVDFZAPGX-JZKQVHKSSA-N 1 0 386.452 -0.110 20 0 GBADRO C[C@]1(NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]C1 ZINC000663611014 1073624161 /nfs/dbraw/zinc/62/41/61/1073624161.db2.gz MKGPTXVDFZAPGX-MNVSYLFESA-N 1 0 386.452 -0.110 20 0 GBADRO C[C@]1(NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC[NH2+]C1 ZINC000663611015 1073624188 /nfs/dbraw/zinc/62/41/88/1073624188.db2.gz MKGPTXVDFZAPGX-YRVVQQKDSA-N 1 0 386.452 -0.110 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1S(=O)(=O)NC1CC1 ZINC000663611670 1073623893 /nfs/dbraw/zinc/62/38/93/1073623893.db2.gz CBTOZOURMQJYJN-KRWDZBQOSA-N 1 0 396.469 -0.057 20 0 GBADRO COc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1S(=O)(=O)NC1CC1 ZINC000663611677 1073624198 /nfs/dbraw/zinc/62/41/98/1073624198.db2.gz CBTOZOURMQJYJN-QGZVFWFLSA-N 1 0 396.469 -0.057 20 0 GBADRO COc1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1S(=O)(=O)N(C)C ZINC000663611733 1073624157 /nfs/dbraw/zinc/62/41/57/1073624157.db2.gz MVXHVXSVWIJLEH-INIZCTEOSA-N 1 0 384.458 -0.248 20 0 GBADRO COc1cc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)ccc1S(=O)(=O)N(C)C ZINC000663611738 1073624004 /nfs/dbraw/zinc/62/40/04/1073624004.db2.gz MVXHVXSVWIJLEH-MRXNPFEDSA-N 1 0 384.458 -0.248 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663611782 1073624193 /nfs/dbraw/zinc/62/41/93/1073624193.db2.gz DSAGUJSVSCCGJQ-INIZCTEOSA-N 1 0 384.458 -0.582 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663611783 1073624112 /nfs/dbraw/zinc/62/41/12/1073624112.db2.gz DSAGUJSVSCCGJQ-MRXNPFEDSA-N 1 0 384.458 -0.582 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@]1(C)CC[NH2+]C1)CC2 ZINC000663613105 1073624140 /nfs/dbraw/zinc/62/41/40/1073624140.db2.gz OVJOVVSUPQIEGE-KRWDZBQOSA-N 1 0 380.470 -0.258 20 0 GBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@]1(C)CC[NH2+]C1)CC2 ZINC000663613107 1073623970 /nfs/dbraw/zinc/62/39/70/1073623970.db2.gz OVJOVVSUPQIEGE-QGZVFWFLSA-N 1 0 380.470 -0.258 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cn2)C[C@H](C)O1 ZINC000663613693 1073624169 /nfs/dbraw/zinc/62/41/69/1073624169.db2.gz UBXAJEHPRANKJA-FHSNZYRGSA-N 1 0 392.460 -0.674 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cn2)C[C@H](C)O1 ZINC000663613694 1073624177 /nfs/dbraw/zinc/62/41/77/1073624177.db2.gz UBXAJEHPRANKJA-JCGVRSQUSA-N 1 0 392.460 -0.674 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cn2)C[C@@H](C)O1 ZINC000663613695 1073624661 /nfs/dbraw/zinc/62/46/61/1073624661.db2.gz UBXAJEHPRANKJA-SNUQEOBHSA-N 1 0 392.460 -0.674 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cn2)C[C@@H](C)O1 ZINC000663613696 1073624965 /nfs/dbraw/zinc/62/49/65/1073624965.db2.gz UBXAJEHPRANKJA-VFVRVIDISA-N 1 0 392.460 -0.674 20 0 GBADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663614004 1073624055 /nfs/dbraw/zinc/62/40/55/1073624055.db2.gz MTIOCEUNUXBUBV-IBGZPJMESA-N 1 0 390.440 -0.026 20 0 GBADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663614009 1073624059 /nfs/dbraw/zinc/62/40/59/1073624059.db2.gz MTIOCEUNUXBUBV-LJQANCHMSA-N 1 0 390.440 -0.026 20 0 GBADRO C[C@]1(NC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[NH2+]C1 ZINC000663614074 1073624196 /nfs/dbraw/zinc/62/41/96/1073624196.db2.gz YXRJTDNXSBSKEW-IBGZPJMESA-N 1 0 390.440 -0.269 20 0 GBADRO 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20 0 GBADRO Cn1nccc1NC(=O)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663616814 1073626107 /nfs/dbraw/zinc/62/61/07/1073626107.db2.gz FIMBWHIOYMODAC-CYBMUJFWSA-N 1 0 386.460 -0.103 20 0 GBADRO Cn1nccc1NC(=O)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663616817 1073625845 /nfs/dbraw/zinc/62/58/45/1073625845.db2.gz FIMBWHIOYMODAC-ZDUSSCGKSA-N 1 0 386.460 -0.103 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000663621256 1073627024 /nfs/dbraw/zinc/62/70/24/1073627024.db2.gz ATKVCMFRCZUSJI-UHFFFAOYSA-N 1 0 381.502 -0.164 20 0 GBADRO COC[C@H](C)CNC(=O)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663643604 1073635821 /nfs/dbraw/zinc/63/58/21/1073635821.db2.gz MPBZQNCUJKGFTN-CABCVRRESA-N 1 0 392.504 -0.076 20 0 GBADRO COC[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663643607 1073635184 /nfs/dbraw/zinc/63/51/84/1073635184.db2.gz MPBZQNCUJKGFTN-GJZGRUSLSA-N 1 0 392.504 -0.076 20 0 GBADRO 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O=C(N[C@H]1CCOC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663650096 1073638204 /nfs/dbraw/zinc/63/82/04/1073638204.db2.gz SOFDASOTFPTUAL-KGLIPLIRSA-N 1 0 376.461 -0.570 20 0 GBADRO O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663650097 1073638266 /nfs/dbraw/zinc/63/82/66/1073638266.db2.gz SOFDASOTFPTUAL-UONOGXRCSA-N 1 0 376.461 -0.570 20 0 GBADRO O=C(N[C@@H]1CCOC1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663650099 1073638056 /nfs/dbraw/zinc/63/80/56/1073638056.db2.gz SOFDASOTFPTUAL-ZIAGYGMSSA-N 1 0 376.461 -0.570 20 0 GBADRO O=C(NC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663650367 1073638355 /nfs/dbraw/zinc/63/83/55/1073638355.db2.gz HNHPCBIAMRKATC-CABCVRRESA-N 1 0 390.488 -0.180 20 0 GBADRO O=C(NC[C@@H]1CCCO1)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663650368 1073638363 /nfs/dbraw/zinc/63/83/63/1073638363.db2.gz HNHPCBIAMRKATC-GJZGRUSLSA-N 1 0 390.488 -0.180 20 0 GBADRO 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CCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663889846 530162719 /nfs/dbraw/zinc/16/27/19/530162719.db2.gz LGMJGSJXNJPQIO-HNNXBMFYSA-N 1 0 375.539 -0.311 20 0 GBADRO CCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663889847 530162221 /nfs/dbraw/zinc/16/22/21/530162221.db2.gz LGMJGSJXNJPQIO-OAHLLOKOSA-N 1 0 375.539 -0.311 20 0 GBADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000663890748 530162559 /nfs/dbraw/zinc/16/25/59/530162559.db2.gz SGUHWZPXVACIFI-UHFFFAOYSA-N 1 0 377.555 -0.017 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663891881 1073859258 /nfs/dbraw/zinc/85/92/58/1073859258.db2.gz QPEBRXUSDASLDG-IRXDYDNUSA-N 1 0 375.473 -0.349 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000663915699 530162631 /nfs/dbraw/zinc/16/26/31/530162631.db2.gz HHBRGDJFJCYGPV-UHFFFAOYSA-N 1 0 377.511 -0.927 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(OCCO)CCOC1 ZINC000663917540 1073864471 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/nfs/dbraw/zinc/67/09/84/1072670984.db2.gz RCHFOQCIIXJGBR-CABCVRRESA-N 1 0 389.522 -0.844 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000664473456 1072670687 /nfs/dbraw/zinc/67/06/87/1072670687.db2.gz RCHFOQCIIXJGBR-GJZGRUSLSA-N 1 0 389.522 -0.844 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000664473457 1072670975 /nfs/dbraw/zinc/67/09/75/1072670975.db2.gz RCHFOQCIIXJGBR-HUUCEWRRSA-N 1 0 389.522 -0.844 20 0 GBADRO CNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000664473458 1072670661 /nfs/dbraw/zinc/67/06/61/1072670661.db2.gz RCHFOQCIIXJGBR-LSDHHAIUSA-N 1 0 389.522 -0.844 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000664474447 1072670790 /nfs/dbraw/zinc/67/07/90/1072670790.db2.gz FKMSIXRNEHPWAW-CAOSSQGBSA-N 1 0 389.518 -0.135 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000664474448 1072670449 /nfs/dbraw/zinc/67/04/49/1072670449.db2.gz FKMSIXRNEHPWAW-XUWVNRHRSA-N 1 0 389.518 -0.135 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000664474449 1072670897 /nfs/dbraw/zinc/67/08/97/1072670897.db2.gz FKMSIXRNEHPWAW-YHUYYLMFSA-N 1 0 389.518 -0.135 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000664474450 1072670770 /nfs/dbraw/zinc/67/07/70/1072670770.db2.gz FKMSIXRNEHPWAW-ZJIFWQFVSA-N 1 0 389.518 -0.135 20 0 GBADRO COCCNc1nc(NC[C@@H]2CCC(=O)N2)[nH+]c(NC[C@@H]2CCC(=O)N2)n1 ZINC000664475415 1072671340 /nfs/dbraw/zinc/67/13/40/1072671340.db2.gz QGOGRUGUUNXSKC-QWRGUYRKSA-N 1 0 378.437 -0.689 20 0 GBADRO COCCC(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664476301 1072672409 /nfs/dbraw/zinc/67/24/09/1072672409.db2.gz ZFLOZQHGGTWHGD-UHFFFAOYSA-N 1 0 385.509 -0.325 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CCN(C)C(=O)C4)ncn3)C[C@H]21 ZINC000664492140 1072701552 /nfs/dbraw/zinc/70/15/52/1072701552.db2.gz LGTBSZYIICMCSK-XQQFMLRXSA-N 1 0 381.458 -0.997 20 0 GBADRO CN(CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)S(=O)(=O)c1cccs1 ZINC000664494242 530164774 /nfs/dbraw/zinc/16/47/74/530164774.db2.gz HPVBVFFFKLATJP-RYUDHWBXSA-N 1 0 376.504 -0.315 20 0 GBADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000664495679 530164999 /nfs/dbraw/zinc/16/49/99/530164999.db2.gz COULGTWLCBLCGP-STQMWFEESA-N 1 0 390.531 -0.040 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)s1 ZINC000664497727 530165017 /nfs/dbraw/zinc/16/50/17/530165017.db2.gz KZUKSRFJFRSETR-RYUDHWBXSA-N 1 0 376.504 -0.349 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccnc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664498265 1072713251 /nfs/dbraw/zinc/71/32/51/1072713251.db2.gz CDRLVQUMEHLMNO-HNNXBMFYSA-N 1 0 397.501 -0.400 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccnc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664498266 1072713705 /nfs/dbraw/zinc/71/37/05/1072713705.db2.gz CDRLVQUMEHLMNO-OAHLLOKOSA-N 1 0 397.501 -0.400 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1O ZINC000664511690 530164654 /nfs/dbraw/zinc/16/46/54/530164654.db2.gz RCTZXPTVKAIIQU-UWVGGRQHSA-N 1 0 396.922 -0.004 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664518369 530164988 /nfs/dbraw/zinc/16/49/88/530164988.db2.gz NACBXHGTNMBNQL-GJZGRUSLSA-N 1 0 377.555 -0.161 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664518377 530165021 /nfs/dbraw/zinc/16/50/21/530165021.db2.gz NACBXHGTNMBNQL-LSDHHAIUSA-N 1 0 377.555 -0.161 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521490 530164706 /nfs/dbraw/zinc/16/47/06/530164706.db2.gz XCAKMMRRZRRRRC-LSDHHAIUSA-N 1 0 377.555 -0.018 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521687 530165150 /nfs/dbraw/zinc/16/51/50/530165150.db2.gz ZAORTURKXNLDID-CYBMUJFWSA-N 1 0 377.511 -0.928 20 0 GBADRO CCC[N@@H+]1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000664529821 1072733393 /nfs/dbraw/zinc/73/33/93/1072733393.db2.gz MWAPCVHWYCOYGA-RSUGUSAISA-N 1 0 378.433 -0.666 20 0 GBADRO CCC[N@@H+]1CC[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000664529822 1072734759 /nfs/dbraw/zinc/73/47/59/1072734759.db2.gz MWAPCVHWYCOYGA-YRGUDCOPSA-N 1 0 378.433 -0.666 20 0 GBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCN3CCC([NH+](C)C)CC3)C[C@H]21 ZINC000664538235 1072738521 /nfs/dbraw/zinc/73/85/21/1072738521.db2.gz AMIOZPPBPCCMQC-XHSDSOJGSA-N 1 0 388.534 -0.534 20 0 GBADRO C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCN1S(C)(=O)=O ZINC000664540627 530165057 /nfs/dbraw/zinc/16/50/57/530165057.db2.gz ZNRMWIDKCYFEBU-CQSZACIVSA-N 1 0 375.539 -0.312 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000664564404 530164963 /nfs/dbraw/zinc/16/49/63/530164963.db2.gz SLXNKZZKYJUPRJ-UHFFFAOYSA-N 1 0 376.523 -0.137 20 0 GBADRO COCCNc1nc(N2CCC3(COC3)C2)nc(N2CCC3(COC3)C2)n1 ZINC000664570308 1072752158 /nfs/dbraw/zinc/75/21/58/1072752158.db2.gz RTQSQQZRPMPSGS-UHFFFAOYSA-N 1 0 376.461 -0.195 20 0 GBADRO O=C(CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N1CCOCC1 ZINC000664592388 1072767978 /nfs/dbraw/zinc/76/79/78/1072767978.db2.gz UILUHUKODONSDC-KRWDZBQOSA-N 1 0 376.457 -0.089 20 0 GBADRO O=C(CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N1CCOCC1 ZINC000664592389 1072768210 /nfs/dbraw/zinc/76/82/10/1072768210.db2.gz UILUHUKODONSDC-QGZVFWFLSA-N 1 0 376.457 -0.089 20 0 GBADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664600696 530165137 /nfs/dbraw/zinc/16/51/37/530165137.db2.gz XCFOLGVXXBRGSC-GJZGRUSLSA-N 1 0 376.523 -0.247 20 0 GBADRO CCC[N@H+](C)CC(C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000664609835 1072784579 /nfs/dbraw/zinc/78/45/79/1072784579.db2.gz PBPPPUUGJDCGQU-LSCFUAHRSA-N 1 0 394.476 -0.030 20 0 GBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664617409 1072793384 /nfs/dbraw/zinc/79/33/84/1072793384.db2.gz XHFYHIJSRDPKIS-JTQLQIEISA-N 1 0 393.366 -0.471 20 0 GBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664617410 1072792939 /nfs/dbraw/zinc/79/29/39/1072792939.db2.gz XHFYHIJSRDPKIS-SNVBAGLBSA-N 1 0 393.366 -0.471 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664624838 1072807849 /nfs/dbraw/zinc/80/78/49/1072807849.db2.gz INBAFMGHVDORNM-KRWDZBQOSA-N 1 0 375.473 -0.516 20 0 GBADRO O=C(NCCN1CCNC(=O)C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664624840 1072807606 /nfs/dbraw/zinc/80/76/06/1072807606.db2.gz INBAFMGHVDORNM-QGZVFWFLSA-N 1 0 375.473 -0.516 20 0 GBADRO Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000664626054 1072809674 /nfs/dbraw/zinc/80/96/74/1072809674.db2.gz GCBSQKCZOGRJLO-UHFFFAOYSA-N 1 0 390.366 -0.390 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664626923 1072811316 /nfs/dbraw/zinc/81/13/16/1072811316.db2.gz VUNNXCAPHOSAOA-UHFFFAOYSA-N 1 0 392.382 -0.144 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664627335 1072810242 /nfs/dbraw/zinc/81/02/42/1072810242.db2.gz MAFMKGFSWPRNHE-SECBINFHSA-N 1 0 390.366 -0.044 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664627688 1072811200 /nfs/dbraw/zinc/81/12/00/1072811200.db2.gz MAFMKGFSWPRNHE-VIFPVBQESA-N 1 0 390.366 -0.044 20 0 GBADRO CC[NH+](CC)CCOCCNC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000664647138 1072835084 /nfs/dbraw/zinc/83/50/84/1072835084.db2.gz LAPPFGGXORMTKU-UHFFFAOYSA-N 1 0 393.554 -0.085 20 0 GBADRO CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000664648629 530165577 /nfs/dbraw/zinc/16/55/77/530165577.db2.gz RHUYGZGLYPNEPN-QLFBSQMISA-N 1 0 377.507 -0.202 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000664716153 1072911078 /nfs/dbraw/zinc/91/10/78/1072911078.db2.gz DFBFSTGCVUKVSQ-KRWDZBQOSA-N 1 0 396.513 -0.056 20 0 GBADRO CS(=O)(=O)N1CC(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000664716155 1072910540 /nfs/dbraw/zinc/91/05/40/1072910540.db2.gz DFBFSTGCVUKVSQ-QGZVFWFLSA-N 1 0 396.513 -0.056 20 0 GBADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723909 1072915762 /nfs/dbraw/zinc/91/57/62/1072915762.db2.gz DXCUZHQCEQWHJB-ILXRZTDVSA-N 1 0 399.513 -0.703 20 0 GBADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723912 1072915657 /nfs/dbraw/zinc/91/56/57/1072915657.db2.gz DXCUZHQCEQWHJB-KFWWJZLASA-N 1 0 399.513 -0.703 20 0 GBADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723916 1072915932 /nfs/dbraw/zinc/91/59/32/1072915932.db2.gz DXCUZHQCEQWHJB-QLFBSQMISA-N 1 0 399.513 -0.703 20 0 GBADRO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723919 1072915825 /nfs/dbraw/zinc/91/58/25/1072915825.db2.gz DXCUZHQCEQWHJB-RBSFLKMASA-N 1 0 399.513 -0.703 20 0 GBADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664724440 1072915877 /nfs/dbraw/zinc/91/58/77/1072915877.db2.gz IQULHNJSFGVUKR-UHFFFAOYSA-N 1 0 376.457 -0.196 20 0 GBADRO Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000664725485 1072915814 /nfs/dbraw/zinc/91/58/14/1072915814.db2.gz KTSGWZOZRYIZDZ-UHFFFAOYSA-N 1 0 395.481 -0.170 20 0 GBADRO CC(=O)N[C@](C)(C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000664725508 1072915360 /nfs/dbraw/zinc/91/53/60/1072915360.db2.gz BXHVIPPYMWQUSY-KRWDZBQOSA-N 1 0 395.481 -0.358 20 0 GBADRO CC(=O)N[C@@](C)(C(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000664725512 1072915961 /nfs/dbraw/zinc/91/59/61/1072915961.db2.gz BXHVIPPYMWQUSY-QGZVFWFLSA-N 1 0 395.481 -0.358 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000664725528 1072915711 /nfs/dbraw/zinc/91/57/11/1072915711.db2.gz CAKXFEHEGYGUIB-UHFFFAOYSA-N 1 0 382.442 -0.876 20 0 GBADRO O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664725899 1072917011 /nfs/dbraw/zinc/91/70/11/1072917011.db2.gz 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O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727491 1072916696 /nfs/dbraw/zinc/91/66/96/1072916696.db2.gz KKAGPFPNYBWUFU-OAHLLOKOSA-N 1 0 395.481 -0.042 20 0 GBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000664727557 1072917038 /nfs/dbraw/zinc/91/70/38/1072917038.db2.gz LZBCKWHDWWQXGR-UHFFFAOYSA-N 1 0 385.442 -0.817 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCOC2(C[NH2+]C2)C1 ZINC000664727695 1072917436 /nfs/dbraw/zinc/91/74/36/1072917436.db2.gz OHALLZCQEISFIT-UHFFFAOYSA-N 1 0 397.453 -0.673 20 0 GBADRO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC(=O)N1C ZINC000664745092 1072937339 /nfs/dbraw/zinc/93/73/39/1072937339.db2.gz IFPZTJMVXTUHNJ-XJIUQZFPSA-N 1 0 378.477 -0.375 20 0 GBADRO C[NH+](C)[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C[C@@H]1O ZINC000664746045 530165501 /nfs/dbraw/zinc/16/55/01/530165501.db2.gz BUGJBQBWDFWGLO-KBPBESRZSA-N 1 0 376.523 -0.105 20 0 GBADRO 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393.554 -0.447 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1CCCC1 ZINC000665941609 1073663102 /nfs/dbraw/zinc/66/31/02/1073663102.db2.gz GRPGEBKPUFOPHT-ZBFHGGJFSA-N 1 0 393.554 -0.447 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000665941610 1073663070 /nfs/dbraw/zinc/66/30/70/1073663070.db2.gz GRYPCNZWBSEZIQ-HNNXBMFYSA-N 1 0 393.554 -0.445 20 0 GBADRO CC[N@H+](CCO)CCNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000665941611 1073663008 /nfs/dbraw/zinc/66/30/08/1073663008.db2.gz GRYPCNZWBSEZIQ-OAHLLOKOSA-N 1 0 393.554 -0.445 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000666051563 1073852768 /nfs/dbraw/zinc/85/27/68/1073852768.db2.gz CPXJKSKZPMPFPA-UHFFFAOYSA-N 1 0 389.453 -0.043 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000666095035 1073862036 /nfs/dbraw/zinc/86/20/36/1073862036.db2.gz MCZPYHJRGGCUSO-BRWVUGGUSA-N 1 0 397.497 -0.136 20 0 GBADRO 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ZINC000666099308 530135741 /nfs/dbraw/zinc/13/57/41/530135741.db2.gz VDLLPYCJOPEQES-ZIAGYGMSSA-N 1 0 376.523 -0.486 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000666100806 1073864345 /nfs/dbraw/zinc/86/43/45/1073864345.db2.gz PQZZEEIBGYJFQN-DOMZBBRYSA-N 1 0 384.458 -0.266 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000666100807 1073864082 /nfs/dbraw/zinc/86/40/82/1073864082.db2.gz PQZZEEIBGYJFQN-IUODEOHRSA-N 1 0 384.458 -0.266 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000666100808 1073863814 /nfs/dbraw/zinc/86/38/14/1073863814.db2.gz PQZZEEIBGYJFQN-SWLSCSKDSA-N 1 0 384.458 -0.266 20 0 GBADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000666100809 1073863905 /nfs/dbraw/zinc/86/39/05/1073863905.db2.gz PQZZEEIBGYJFQN-WFASDCNBSA-N 1 0 384.458 -0.266 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000666102005 1073864831 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/nfs/dbraw/zinc/86/60/48/1073866048.db2.gz RXJAULREZDCYJI-BZUAXINKSA-N 1 0 388.534 -0.392 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666102954 1073865921 /nfs/dbraw/zinc/86/59/21/1073865921.db2.gz RXJAULREZDCYJI-HRCADAONSA-N 1 0 388.534 -0.392 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666102955 1073865942 /nfs/dbraw/zinc/86/59/42/1073865942.db2.gz RXJAULREZDCYJI-OWCLPIDISA-N 1 0 388.534 -0.392 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000666103419 1073865886 /nfs/dbraw/zinc/86/58/86/1073865886.db2.gz KPAKYDFDGLGADX-BFHYXJOUSA-N 1 0 392.522 -0.810 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000666103420 1073865695 /nfs/dbraw/zinc/86/56/95/1073865695.db2.gz KPAKYDFDGLGADX-IHRRRGAJSA-N 1 0 392.522 -0.810 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000666103421 1073865633 /nfs/dbraw/zinc/86/56/33/1073865633.db2.gz KPAKYDFDGLGADX-MELADBBJSA-N 1 0 392.522 -0.810 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000666103422 1073866348 /nfs/dbraw/zinc/86/63/48/1073866348.db2.gz KPAKYDFDGLGADX-MJBXVCDLSA-N 1 0 392.522 -0.810 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000666103513 530136259 /nfs/dbraw/zinc/13/62/59/530136259.db2.gz WLNIAWFRZRCLSN-KBPBESRZSA-N 1 0 376.523 -0.486 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000666103514 530136270 /nfs/dbraw/zinc/13/62/70/530136270.db2.gz WLNIAWFRZRCLSN-KGLIPLIRSA-N 1 0 376.523 -0.486 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000666103515 530136248 /nfs/dbraw/zinc/13/62/48/530136248.db2.gz WLNIAWFRZRCLSN-UONOGXRCSA-N 1 0 376.523 -0.486 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000666103516 530136153 /nfs/dbraw/zinc/13/61/53/530136153.db2.gz WLNIAWFRZRCLSN-ZIAGYGMSSA-N 1 0 376.523 -0.486 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000666103645 1073865749 /nfs/dbraw/zinc/86/57/49/1073865749.db2.gz MSOYARVUFYMKJS-CAOSSQGBSA-N 1 0 388.534 -0.534 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000666103646 1073865846 /nfs/dbraw/zinc/86/58/46/1073865846.db2.gz MSOYARVUFYMKJS-FXUDXRNXSA-N 1 0 388.534 -0.534 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000666103647 1073866129 /nfs/dbraw/zinc/86/61/29/1073866129.db2.gz MSOYARVUFYMKJS-QKPAOTATSA-N 1 0 388.534 -0.534 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000666103648 1073866363 /nfs/dbraw/zinc/86/63/63/1073866363.db2.gz MSOYARVUFYMKJS-YHUYYLMFSA-N 1 0 388.534 -0.534 20 0 GBADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000666105198 530136666 /nfs/dbraw/zinc/13/66/66/530136666.db2.gz 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C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cn1 ZINC000683689548 1072346975 /nfs/dbraw/zinc/34/69/75/1072346975.db2.gz VKQUTICORLMXMX-UHFFFAOYSA-N 1 0 385.490 -0.191 20 0 GBADRO CS(=O)(=O)N1CCN(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000683705041 1072353776 /nfs/dbraw/zinc/35/37/76/1072353776.db2.gz JGSARNZKZRSRHH-UHFFFAOYSA-N 1 0 380.470 -0.551 20 0 GBADRO Cn1ncc(Br)c1C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000683768041 530201327 /nfs/dbraw/zinc/20/13/27/530201327.db2.gz KYUWCCQNHBUPEV-UHFFFAOYSA-N 1 0 380.312 -0.151 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)n2)CC1 ZINC000683812556 1072422867 /nfs/dbraw/zinc/42/28/67/1072422867.db2.gz ASNUOALYNDMKDM-UHFFFAOYSA-N 1 0 399.521 -0.412 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)o1 ZINC000683822120 1072426899 /nfs/dbraw/zinc/42/68/99/1072426899.db2.gz QTLTXHQMYGMIST-CYBMUJFWSA-N 1 0 396.469 -0.162 20 0 GBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)o1 ZINC000683822122 1072426787 /nfs/dbraw/zinc/42/67/87/1072426787.db2.gz QTLTXHQMYGMIST-ZDUSSCGKSA-N 1 0 396.469 -0.162 20 0 GBADRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)n1C ZINC000683833800 1072435785 /nfs/dbraw/zinc/43/57/85/1072435785.db2.gz GXPVEJAOXKWXTM-KRWDZBQOSA-N 1 0 377.489 -0.101 20 0 GBADRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)n1C ZINC000683833801 1072435919 /nfs/dbraw/zinc/43/59/19/1072435919.db2.gz GXPVEJAOXKWXTM-QGZVFWFLSA-N 1 0 377.489 -0.101 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683834360 1072436163 /nfs/dbraw/zinc/43/61/63/1072436163.db2.gz KTEXZKZVLYLMKF-KRWDZBQOSA-N 1 0 394.520 -0.015 20 0 GBADRO COCCN(Cc1ccnn1C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000683834361 1072435839 /nfs/dbraw/zinc/43/58/39/1072435839.db2.gz KTEXZKZVLYLMKF-QGZVFWFLSA-N 1 0 394.520 -0.015 20 0 GBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000683879969 1072446478 /nfs/dbraw/zinc/44/64/78/1072446478.db2.gz BGQVLAPBEQOJJZ-GASCZTMLSA-N 1 0 394.497 -0.313 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000683880045 1072446760 /nfs/dbraw/zinc/44/67/60/1072446760.db2.gz OZTITDMHRQZEKZ-OKILXGFUSA-N 1 0 382.486 -0.320 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C[C@H]2C1 ZINC000683880046 1072446503 /nfs/dbraw/zinc/44/65/03/1072446503.db2.gz PIIHAOLDTQMNPD-PHIMTYICSA-N 1 0 380.426 -0.738 20 0 GBADRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)C2 ZINC000683905576 1072453458 /nfs/dbraw/zinc/45/34/58/1072453458.db2.gz DSVRHOVYISUEOS-UHFFFAOYSA-N 1 0 392.481 -0.415 20 0 GBADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(S(=O)(=O)N3CCNC(=O)C3)cc1)C2 ZINC000683906729 1072453338 /nfs/dbraw/zinc/45/33/38/1072453338.db2.gz WONNJNLAWXBZKR-UHFFFAOYSA-N 1 0 392.481 -0.415 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)nc2n(C)c1=O ZINC000683909388 1072454116 /nfs/dbraw/zinc/45/41/16/1072454116.db2.gz AUZKDDOXNRFBSO-GOSISDBHSA-N 1 0 375.429 -0.839 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)nc2n(C)c1=O ZINC000683909391 1072454586 /nfs/dbraw/zinc/45/45/86/1072454586.db2.gz AUZKDDOXNRFBSO-SFHVURJKSA-N 1 0 375.429 -0.839 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cnc2n(C)c1=O ZINC000683911155 1072454182 /nfs/dbraw/zinc/45/41/82/1072454182.db2.gz DRBZYZLWHFRHFW-GOSISDBHSA-N 1 0 375.429 -0.839 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cnc2n(C)c1=O ZINC000683911156 1072454369 /nfs/dbraw/zinc/45/43/69/1072454369.db2.gz DRBZYZLWHFRHFW-SFHVURJKSA-N 1 0 375.429 -0.839 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000683914515 1072455195 /nfs/dbraw/zinc/45/51/95/1072455195.db2.gz XAPAMSJRGYDADS-INIZCTEOSA-N 1 0 388.490 -0.532 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000683914516 1072455288 /nfs/dbraw/zinc/45/52/88/1072455288.db2.gz XAPAMSJRGYDADS-MRXNPFEDSA-N 1 0 388.490 -0.532 20 0 GBADRO CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000683942063 530200947 /nfs/dbraw/zinc/20/09/47/530200947.db2.gz WZKYAMRRDMHBCZ-UHFFFAOYSA-N 1 0 390.531 -0.139 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000684116139 1072517837 /nfs/dbraw/zinc/51/78/37/1072517837.db2.gz ALVVXGGNPPQZRK-HNNXBMFYSA-N 1 0 389.566 -0.017 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000684116141 1072517890 /nfs/dbraw/zinc/51/78/90/1072517890.db2.gz ALVVXGGNPPQZRK-OAHLLOKOSA-N 1 0 389.566 -0.017 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134310 1072530602 /nfs/dbraw/zinc/53/06/02/1072530602.db2.gz OFGWQFMLDQHVJY-JXFKEZNVSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134311 1072530796 /nfs/dbraw/zinc/53/07/96/1072530796.db2.gz OFGWQFMLDQHVJY-OXJNMPFZSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134312 1072530994 /nfs/dbraw/zinc/53/09/94/1072530994.db2.gz OFGWQFMLDQHVJY-OXQOHEQNSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(=O)c1 ZINC000684134313 1072530643 /nfs/dbraw/zinc/53/06/43/1072530643.db2.gz OFGWQFMLDQHVJY-UZLBHIALSA-N 1 0 390.484 -0.152 20 0 GBADRO C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684136977 1072532623 /nfs/dbraw/zinc/53/26/23/1072532623.db2.gz QAZKKUXPDYQRFS-APWZRJJASA-N 1 0 378.473 -0.878 20 0 GBADRO C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684136985 1072532980 /nfs/dbraw/zinc/53/29/80/1072532980.db2.gz QAZKKUXPDYQRFS-LPHOPBHVSA-N 1 0 378.473 -0.878 20 0 GBADRO C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684136987 1072532591 /nfs/dbraw/zinc/53/25/91/1072532591.db2.gz QAZKKUXPDYQRFS-QFBILLFUSA-N 1 0 378.473 -0.878 20 0 GBADRO C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684136988 1072533160 /nfs/dbraw/zinc/53/31/60/1072533160.db2.gz QAZKKUXPDYQRFS-VQIMIIECSA-N 1 0 378.473 -0.878 20 0 GBADRO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000684138383 1072533736 /nfs/dbraw/zinc/53/37/36/1072533736.db2.gz PJGACDBHQCAJMB-UHFFFAOYSA-N 1 0 385.490 -0.987 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000684141230 1072535513 /nfs/dbraw/zinc/53/55/13/1072535513.db2.gz WAMPCSOYNIMDKL-AWEZNQCLSA-N 1 0 378.481 -0.353 20 0 GBADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000684141231 1072536052 /nfs/dbraw/zinc/53/60/52/1072536052.db2.gz WAMPCSOYNIMDKL-CQSZACIVSA-N 1 0 378.481 -0.353 20 0 GBADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C2 ZINC000684172795 1072553049 /nfs/dbraw/zinc/55/30/49/1072553049.db2.gz PVIFMHOKOLZMHC-UHFFFAOYSA-N 1 0 394.497 -0.052 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000684174877 530201862 /nfs/dbraw/zinc/20/18/62/530201862.db2.gz NBBZINVZSBLZTC-AWEZNQCLSA-N 1 0 389.250 -0.374 20 0 GBADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000684174878 530201661 /nfs/dbraw/zinc/20/16/61/530201661.db2.gz NBBZINVZSBLZTC-CQSZACIVSA-N 1 0 389.250 -0.374 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000684271443 1072592781 /nfs/dbraw/zinc/59/27/81/1072592781.db2.gz MMQYQHKTVABWMZ-JXFKEZNVSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000684271444 1072592997 /nfs/dbraw/zinc/59/29/97/1072592997.db2.gz MMQYQHKTVABWMZ-OXJNMPFZSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000684271445 1072593196 /nfs/dbraw/zinc/59/31/96/1072593196.db2.gz MMQYQHKTVABWMZ-OXQOHEQNSA-N 1 0 390.484 -0.152 20 0 GBADRO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000684271447 1072592863 /nfs/dbraw/zinc/59/28/63/1072592863.db2.gz MMQYQHKTVABWMZ-UZLBHIALSA-N 1 0 390.484 -0.152 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000684368156 1072623882 /nfs/dbraw/zinc/62/38/82/1072623882.db2.gz UTJSBDSMCIRANJ-UHFFFAOYSA-N 1 0 387.550 -0.120 20 0 GBADRO CCn1nccc1CN(CCO)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684387331 1072156263 /nfs/dbraw/zinc/15/62/63/1072156263.db2.gz HUBGFPCRBNBFAG-KRWDZBQOSA-N 1 0 394.520 -0.187 20 0 GBADRO CCn1nccc1CN(CCO)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000684387332 1072156004 /nfs/dbraw/zinc/15/60/04/1072156004.db2.gz HUBGFPCRBNBFAG-QGZVFWFLSA-N 1 0 394.520 -0.187 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000684423337 1072173694 /nfs/dbraw/zinc/17/36/94/1072173694.db2.gz DLHFHBUNBMMLDK-KRWDZBQOSA-N 1 0 392.460 -0.001 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000684423338 1072173406 /nfs/dbraw/zinc/17/34/06/1072173406.db2.gz DLHFHBUNBMMLDK-QGZVFWFLSA-N 1 0 392.460 -0.001 20 0 GBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000684435098 1072181375 /nfs/dbraw/zinc/18/13/75/1072181375.db2.gz PIDPGMDGYBQGGG-KBXCAEBGSA-N 1 0 396.488 -0.171 20 0 GBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000684435099 1072181501 /nfs/dbraw/zinc/18/15/01/1072181501.db2.gz PIDPGMDGYBQGGG-KDOFPFPSSA-N 1 0 396.488 -0.171 20 0 GBADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000684435100 1072180998 /nfs/dbraw/zinc/18/09/98/1072180998.db2.gz PIDPGMDGYBQGGG-KSSFIOAISA-N 1 0 396.488 -0.171 20 0 GBADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000684435101 1072181076 /nfs/dbraw/zinc/18/10/76/1072181076.db2.gz PIDPGMDGYBQGGG-RDTXWAMCSA-N 1 0 396.488 -0.171 20 0 GBADRO COC1CC[NH+](CCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000684455444 1072192664 /nfs/dbraw/zinc/19/26/64/1072192664.db2.gz WRAQPMXJTZELKL-GOSISDBHSA-N 1 0 396.488 -0.171 20 0 GBADRO COC1CC[NH+](CCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000684455445 1072192651 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C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169186 1072482725 /nfs/dbraw/zinc/48/27/25/1072482725.db2.gz OTEKFDDHPGFOLA-CZUORRHYSA-N 1 0 390.488 -0.170 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169187 1072482659 /nfs/dbraw/zinc/48/26/59/1072482659.db2.gz OTEKFDDHPGFOLA-XJKSGUPXSA-N 1 0 390.488 -0.170 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C(=O)N1c1cnn(C)c1 ZINC000685169903 1072485077 /nfs/dbraw/zinc/48/50/77/1072485077.db2.gz BTPFULKEYLOFET-BFJAYTPKSA-N 1 0 388.472 -0.417 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C(=O)N1c1cnn(C)c1 ZINC000685169904 1072485326 /nfs/dbraw/zinc/48/53/26/1072485326.db2.gz BTPFULKEYLOFET-LUYZLQTOSA-N 1 0 388.472 -0.417 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C(=O)N1c1cnn(C)c1 ZINC000685169905 1072485269 /nfs/dbraw/zinc/48/52/69/1072485269.db2.gz BTPFULKEYLOFET-VDERGJSUSA-N 1 0 388.472 -0.417 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C(=O)N1c1cnn(C)c1 ZINC000685169914 1072485138 /nfs/dbraw/zinc/48/51/38/1072485138.db2.gz BTPFULKEYLOFET-VRKREXBASA-N 1 0 388.472 -0.417 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685170062 1072483747 /nfs/dbraw/zinc/48/37/47/1072483747.db2.gz CJHVRKSLSYBQSL-CTASWTNQSA-N 1 0 390.488 -0.029 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685170063 1072483589 /nfs/dbraw/zinc/48/35/89/1072483589.db2.gz CJHVRKSLSYBQSL-HLPPOEQASA-N 1 0 390.488 -0.029 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685170064 1072483608 /nfs/dbraw/zinc/48/36/08/1072483608.db2.gz CJHVRKSLSYBQSL-IXYNUQLISA-N 1 0 390.488 -0.029 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685170075 1072483735 /nfs/dbraw/zinc/48/37/35/1072483735.db2.gz KRVOKDSHTZENCG-DZGCQCFKSA-N 1 0 394.476 -0.885 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685170076 1072483626 /nfs/dbraw/zinc/48/36/26/1072483626.db2.gz KRVOKDSHTZENCG-HIFRSBDPSA-N 1 0 394.476 -0.885 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685170077 1072483614 /nfs/dbraw/zinc/48/36/14/1072483614.db2.gz KRVOKDSHTZENCG-UKRRQHHQSA-N 1 0 394.476 -0.885 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685170078 1072483595 /nfs/dbraw/zinc/48/35/95/1072483595.db2.gz KRVOKDSHTZENCG-ZFWWWQNUSA-N 1 0 394.476 -0.885 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C(=O)N1c1cnn(C)c1 ZINC000685170204 1072484156 /nfs/dbraw/zinc/48/41/56/1072484156.db2.gz SAUKXKQGYPHLGT-DZGCQCFKSA-N 1 0 390.488 -0.027 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C(=O)N1c1cnn(C)c1 ZINC000685170206 1072484376 /nfs/dbraw/zinc/48/43/76/1072484376.db2.gz SAUKXKQGYPHLGT-HIFRSBDPSA-N 1 0 390.488 -0.027 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C(=O)N1c1cnn(C)c1 ZINC000685170208 1072484166 /nfs/dbraw/zinc/48/41/66/1072484166.db2.gz SAUKXKQGYPHLGT-UKRRQHHQSA-N 1 0 390.488 -0.027 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C(=O)N1c1cnn(C)c1 ZINC000685170210 1072484207 /nfs/dbraw/zinc/48/42/07/1072484207.db2.gz SAUKXKQGYPHLGT-ZFWWWQNUSA-N 1 0 390.488 -0.027 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170223 1072484248 /nfs/dbraw/zinc/48/42/48/1072484248.db2.gz PKUDGYWWRWMMGF-FMKPAKJESA-N 1 0 390.488 -0.027 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170225 1072484179 /nfs/dbraw/zinc/48/41/79/1072484179.db2.gz PKUDGYWWRWMMGF-IIAWOOMASA-N 1 0 390.488 -0.027 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170227 1072484509 /nfs/dbraw/zinc/48/45/09/1072484509.db2.gz PKUDGYWWRWMMGF-LZWOXQAQSA-N 1 0 390.488 -0.027 20 0 GBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685170229 1072484226 /nfs/dbraw/zinc/48/42/26/1072484226.db2.gz PKUDGYWWRWMMGF-SQWLQELKSA-N 1 0 390.488 -0.027 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685170293 1072484197 /nfs/dbraw/zinc/48/41/97/1072484197.db2.gz CJHVRKSLSYBQSL-KQTLUZQSSA-N 1 0 390.488 -0.029 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170816 1072485245 /nfs/dbraw/zinc/48/52/45/1072485245.db2.gz XEPGMKBTIXIIAV-DZGCQCFKSA-N 1 0 376.461 -0.416 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170817 1072485021 /nfs/dbraw/zinc/48/50/21/1072485021.db2.gz XEPGMKBTIXIIAV-HIFRSBDPSA-N 1 0 376.461 -0.416 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170818 1072485175 /nfs/dbraw/zinc/48/51/75/1072485175.db2.gz XEPGMKBTIXIIAV-UKRRQHHQSA-N 1 0 376.461 -0.416 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C(=O)N1c1cnn(C)c1 ZINC000685170819 1072485110 /nfs/dbraw/zinc/48/51/10/1072485110.db2.gz XEPGMKBTIXIIAV-ZFWWWQNUSA-N 1 0 376.461 -0.416 20 0 GBADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[N@H+](C)C1CC1 ZINC000685170954 1072485335 /nfs/dbraw/zinc/48/53/35/1072485335.db2.gz GDMALKZOHSTWCH-JMSVASOKSA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[N@H+](C)C1CC1 ZINC000685170958 1072485201 /nfs/dbraw/zinc/48/52/01/1072485201.db2.gz GDMALKZOHSTWCH-LALPHHSUSA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[N@H+](C)C1CC1 ZINC000685170960 1072485190 /nfs/dbraw/zinc/48/51/90/1072485190.db2.gz GDMALKZOHSTWCH-TYNCELHUSA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[N@H+](C)C1CC1 ZINC000685170962 1072485378 /nfs/dbraw/zinc/48/53/78/1072485378.db2.gz GDMALKZOHSTWCH-XUJVJEKNSA-N 1 0 376.461 -0.371 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171069 1072485783 /nfs/dbraw/zinc/48/57/83/1072485783.db2.gz NDSYRJKWYHAPFG-DZGCQCFKSA-N 1 0 394.476 -0.885 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171071 1072485803 /nfs/dbraw/zinc/48/58/03/1072485803.db2.gz NDSYRJKWYHAPFG-HIFRSBDPSA-N 1 0 394.476 -0.885 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171073 1072485733 /nfs/dbraw/zinc/48/57/33/1072485733.db2.gz NDSYRJKWYHAPFG-UKRRQHHQSA-N 1 0 394.476 -0.885 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171075 1072485956 /nfs/dbraw/zinc/48/59/56/1072485956.db2.gz NDSYRJKWYHAPFG-ZFWWWQNUSA-N 1 0 394.476 -0.885 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171207 1072485882 /nfs/dbraw/zinc/48/58/82/1072485882.db2.gz NVOHQFPIKNHXHI-DZGCQCFKSA-N 1 0 378.477 -0.122 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171209 1072485933 /nfs/dbraw/zinc/48/59/33/1072485933.db2.gz NVOHQFPIKNHXHI-HIFRSBDPSA-N 1 0 378.477 -0.122 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171210 1072485921 /nfs/dbraw/zinc/48/59/21/1072485921.db2.gz NVOHQFPIKNHXHI-UKRRQHHQSA-N 1 0 378.477 -0.122 20 0 GBADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171211 1072485875 /nfs/dbraw/zinc/48/58/75/1072485875.db2.gz NVOHQFPIKNHXHI-ZFWWWQNUSA-N 1 0 378.477 -0.122 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171642 1072487206 /nfs/dbraw/zinc/48/72/06/1072487206.db2.gz HYALHPBOQRNEAN-BHTHQVBYSA-N 1 0 388.472 -0.371 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171644 1072487436 /nfs/dbraw/zinc/48/74/36/1072487436.db2.gz HYALHPBOQRNEAN-KNPMLCFXSA-N 1 0 388.472 -0.371 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685171646 1072487191 /nfs/dbraw/zinc/48/71/91/1072487191.db2.gz HYALHPBOQRNEAN-KOZAUXTDSA-N 1 0 388.472 -0.371 20 0 GBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685171648 1072487398 /nfs/dbraw/zinc/48/73/98/1072487398.db2.gz HYALHPBOQRNEAN-MPTQWLOMSA-N 1 0 388.472 -0.371 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172120 1072487637 /nfs/dbraw/zinc/48/76/37/1072487637.db2.gz KESSBJMELTVVIB-BBRMVZONSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172122 1072487230 /nfs/dbraw/zinc/48/72/30/1072487230.db2.gz KESSBJMELTVVIB-CJNGLKHVSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172124 1072487214 /nfs/dbraw/zinc/48/72/14/1072487214.db2.gz KESSBJMELTVVIB-CZUORRHYSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172126 1072487647 /nfs/dbraw/zinc/48/76/47/1072487647.db2.gz KESSBJMELTVVIB-XJKSGUPXSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172315 1072488156 /nfs/dbraw/zinc/48/81/56/1072488156.db2.gz QLXXPYILJXVSGT-DOMZBBRYSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172316 1072488003 /nfs/dbraw/zinc/48/80/03/1072488003.db2.gz QLXXPYILJXVSGT-IUODEOHRSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172317 1072488338 /nfs/dbraw/zinc/48/83/38/1072488338.db2.gz QLXXPYILJXVSGT-SWLSCSKDSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C(=O)N1c1cnn(C)c1 ZINC000685172318 1072488035 /nfs/dbraw/zinc/48/80/35/1072488035.db2.gz QLXXPYILJXVSGT-WFASDCNBSA-N 1 0 376.461 -0.417 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000685172324 1072488128 /nfs/dbraw/zinc/48/81/28/1072488128.db2.gz KTKQMEHREONUNB-DVOMOZLQSA-N 1 0 388.472 -0.203 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000685172326 1072488204 /nfs/dbraw/zinc/48/82/04/1072488204.db2.gz KTKQMEHREONUNB-HEHGZKQESA-N 1 0 388.472 -0.203 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000685172328 1072488171 /nfs/dbraw/zinc/48/81/71/1072488171.db2.gz KTKQMEHREONUNB-WWGRRREGSA-N 1 0 388.472 -0.203 20 0 GBADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000685172330 1072488145 /nfs/dbraw/zinc/48/81/45/1072488145.db2.gz KTKQMEHREONUNB-XEZPLFJOSA-N 1 0 388.472 -0.203 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172465 1072488195 /nfs/dbraw/zinc/48/81/95/1072488195.db2.gz LNOIGTZPVKHOOK-BLLLJJGKSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172467 1072488307 /nfs/dbraw/zinc/48/83/07/1072488307.db2.gz LNOIGTZPVKHOOK-LRDDRELGSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172468 1072488272 /nfs/dbraw/zinc/48/82/72/1072488272.db2.gz LNOIGTZPVKHOOK-MLGOLLRUSA-N 1 0 388.472 -0.227 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685172469 1072488461 /nfs/dbraw/zinc/48/84/61/1072488461.db2.gz LNOIGTZPVKHOOK-WBMJQRKESA-N 1 0 388.472 -0.227 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685172589 1072486580 /nfs/dbraw/zinc/48/65/80/1072486580.db2.gz LWGSTSIDVCBINT-DZKIICNBSA-N 1 0 390.488 -0.170 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685172590 1072486697 /nfs/dbraw/zinc/48/66/97/1072486697.db2.gz LWGSTSIDVCBINT-IJEWVQPXSA-N 1 0 390.488 -0.170 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685172594 1072486713 /nfs/dbraw/zinc/48/67/13/1072486713.db2.gz LWGSTSIDVCBINT-OFQRWUPVSA-N 1 0 390.488 -0.170 20 0 GBADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000685172596 1072486818 /nfs/dbraw/zinc/48/68/18/1072486818.db2.gz LWGSTSIDVCBINT-YCPHGPKFSA-N 1 0 390.488 -0.170 20 0 GBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172990 1072488399 /nfs/dbraw/zinc/48/83/99/1072488399.db2.gz NHJPTWQYHXKMPM-BBRMVZONSA-N 1 0 390.488 -0.122 20 0 GBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172992 1072488449 /nfs/dbraw/zinc/48/84/49/1072488449.db2.gz NHJPTWQYHXKMPM-CJNGLKHVSA-N 1 0 390.488 -0.122 20 0 GBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172994 1072488427 /nfs/dbraw/zinc/48/84/27/1072488427.db2.gz NHJPTWQYHXKMPM-CZUORRHYSA-N 1 0 390.488 -0.122 20 0 GBADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172996 1072488360 /nfs/dbraw/zinc/48/83/60/1072488360.db2.gz NHJPTWQYHXKMPM-XJKSGUPXSA-N 1 0 390.488 -0.122 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173112 1072489059 /nfs/dbraw/zinc/48/90/59/1072489059.db2.gz NWSNBYACSSWYQG-GUTXKFCHSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173113 1072489013 /nfs/dbraw/zinc/48/90/13/1072489013.db2.gz NWSNBYACSSWYQG-GZBFAFLISA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173115 1072488979 /nfs/dbraw/zinc/48/89/79/1072488979.db2.gz NWSNBYACSSWYQG-NFAWXSAZSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173117 1072488984 /nfs/dbraw/zinc/48/89/84/1072488984.db2.gz NWSNBYACSSWYQG-UMVBOHGHSA-N 1 0 376.461 -0.369 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173205 1072489039 /nfs/dbraw/zinc/48/90/39/1072489039.db2.gz OGMAGLXCXQNWBL-DVOMOZLQSA-N 1 0 388.472 -0.369 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173208 1072489053 /nfs/dbraw/zinc/48/90/53/1072489053.db2.gz OGMAGLXCXQNWBL-IOASZLSFSA-N 1 0 388.472 -0.369 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173209 1072488995 /nfs/dbraw/zinc/48/89/95/1072488995.db2.gz OGMAGLXCXQNWBL-WWGRRREGSA-N 1 0 388.472 -0.369 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685173211 1072489022 /nfs/dbraw/zinc/48/90/22/1072489022.db2.gz OGMAGLXCXQNWBL-XJKCOSOUSA-N 1 0 388.472 -0.369 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173233 1072489034 /nfs/dbraw/zinc/48/90/34/1072489034.db2.gz WAVGRVOTMUECSU-DZGCQCFKSA-N 1 0 378.477 -0.170 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173235 1072489072 /nfs/dbraw/zinc/48/90/72/1072489072.db2.gz WAVGRVOTMUECSU-HIFRSBDPSA-N 1 0 378.477 -0.170 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685173236 1072489020 /nfs/dbraw/zinc/48/90/20/1072489020.db2.gz WAVGRVOTMUECSU-UKRRQHHQSA-N 1 0 378.477 -0.170 20 0 GBADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685173238 1072489033 /nfs/dbraw/zinc/48/90/33/1072489033.db2.gz WAVGRVOTMUECSU-ZFWWWQNUSA-N 1 0 378.477 -0.170 20 0 GBADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173495 1072489045 /nfs/dbraw/zinc/48/90/45/1072489045.db2.gz QJQWQBGXLBAQPR-DOMZBBRYSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173496 1072489123 /nfs/dbraw/zinc/48/91/23/1072489123.db2.gz QJQWQBGXLBAQPR-IUODEOHRSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173497 1072489839 /nfs/dbraw/zinc/48/98/39/1072489839.db2.gz QJQWQBGXLBAQPR-SWLSCSKDSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173498 1072489964 /nfs/dbraw/zinc/48/99/64/1072489964.db2.gz QJQWQBGXLBAQPR-WFASDCNBSA-N 1 0 376.461 -0.369 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173729 1072489809 /nfs/dbraw/zinc/48/98/09/1072489809.db2.gz YQFJXFTZACSJGL-BHPKHCPMSA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173732 1072489829 /nfs/dbraw/zinc/48/98/29/1072489829.db2.gz YQFJXFTZACSJGL-COMQUAJESA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173735 1072489730 /nfs/dbraw/zinc/48/97/30/1072489730.db2.gz YQFJXFTZACSJGL-QVHKTLOISA-N 1 0 376.461 -0.371 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173740 1072489927 /nfs/dbraw/zinc/48/99/27/1072489927.db2.gz YQFJXFTZACSJGL-RGCMKSIDSA-N 1 0 376.461 -0.371 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000685173849 1072489719 /nfs/dbraw/zinc/48/97/19/1072489719.db2.gz ZCROBLKOIPCFFL-DOMZBBRYSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000685173851 1072489686 /nfs/dbraw/zinc/48/96/86/1072489686.db2.gz ZCROBLKOIPCFFL-IUODEOHRSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000685173852 1072489672 /nfs/dbraw/zinc/48/96/72/1072489672.db2.gz ZCROBLKOIPCFFL-SWLSCSKDSA-N 1 0 376.461 -0.369 20 0 GBADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000685173853 1072489785 /nfs/dbraw/zinc/48/97/85/1072489785.db2.gz ZCROBLKOIPCFFL-WFASDCNBSA-N 1 0 376.461 -0.369 20 0 GBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173935 1072489799 /nfs/dbraw/zinc/48/97/99/1072489799.db2.gz ZTIXKORZBRAGBM-GDBMZVCRSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173937 1072489695 /nfs/dbraw/zinc/48/96/95/1072489695.db2.gz ZTIXKORZBRAGBM-GOEBONIOSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173939 1072490013 /nfs/dbraw/zinc/49/00/13/1072490013.db2.gz ZTIXKORZBRAGBM-HOCLYGCPSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685173941 1072489745 /nfs/dbraw/zinc/48/97/45/1072489745.db2.gz ZTIXKORZBRAGBM-ZBFHGGJFSA-N 1 0 390.488 -0.122 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685174150 1072488404 /nfs/dbraw/zinc/48/84/04/1072488404.db2.gz SZHJLADSDMLDNF-FOCJUVANSA-N 1 0 388.472 -0.229 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685174152 1072488417 /nfs/dbraw/zinc/48/84/17/1072488417.db2.gz SZHJLADSDMLDNF-JXFSHQFZSA-N 1 0 388.472 -0.229 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685174153 1072488438 /nfs/dbraw/zinc/48/84/38/1072488438.db2.gz SZHJLADSDMLDNF-VLXAULBPSA-N 1 0 388.472 -0.229 20 0 GBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685174155 1072488369 /nfs/dbraw/zinc/48/83/69/1072488369.db2.gz SZHJLADSDMLDNF-ZWUHOBOKSA-N 1 0 388.472 -0.229 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685174700 1072490489 /nfs/dbraw/zinc/49/04/89/1072490489.db2.gz ILHZLEKGZBOAJZ-DZGCQCFKSA-N 1 0 394.476 -0.933 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685174701 1072490568 /nfs/dbraw/zinc/49/05/68/1072490568.db2.gz ILHZLEKGZBOAJZ-HIFRSBDPSA-N 1 0 394.476 -0.933 20 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C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145910 598343426 /nfs/dbraw/zinc/34/34/26/598343426.db2.gz DQYKNMRAQUBHPF-DZKIICNBSA-N 1 0 376.461 -0.007 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145912 598342989 /nfs/dbraw/zinc/34/29/89/598342989.db2.gz DQYKNMRAQUBHPF-IJEWVQPXSA-N 1 0 376.461 -0.007 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145914 598343183 /nfs/dbraw/zinc/34/31/83/598343183.db2.gz DQYKNMRAQUBHPF-OFQRWUPVSA-N 1 0 376.461 -0.007 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145915 598343099 /nfs/dbraw/zinc/34/30/99/598343099.db2.gz DQYKNMRAQUBHPF-YCPHGPKFSA-N 1 0 376.461 -0.007 20 0 GBADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736286312 599300764 /nfs/dbraw/zinc/30/07/64/599300764.db2.gz BNQOZUSMISFEPW-DDTOSNHZSA-N 1 0 393.473 -0.347 20 0 GBADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736286314 599301008 /nfs/dbraw/zinc/30/10/08/599301008.db2.gz BNQOZUSMISFEPW-HONMWMINSA-N 1 0 393.473 -0.347 20 0 GBADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736286315 599300895 /nfs/dbraw/zinc/30/08/95/599300895.db2.gz BNQOZUSMISFEPW-LERXQTSPSA-N 1 0 393.473 -0.347 20 0 GBADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736286317 599301077 /nfs/dbraw/zinc/30/10/77/599301077.db2.gz BNQOZUSMISFEPW-SWHYSGLUSA-N 1 0 393.473 -0.347 20 0 GBADRO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736382098 599357983 /nfs/dbraw/zinc/35/79/83/599357983.db2.gz KFILTJPHSAFCRE-CVEARBPZSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736382099 599357592 /nfs/dbraw/zinc/35/75/92/599357592.db2.gz KFILTJPHSAFCRE-HOTGVXAUSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736382100 599357720 /nfs/dbraw/zinc/35/77/20/599357720.db2.gz KFILTJPHSAFCRE-HZPDHXFCSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736382101 599357915 /nfs/dbraw/zinc/35/79/15/599357915.db2.gz KFILTJPHSAFCRE-JKSUJKDBSA-N 1 0 376.461 -0.005 20 0 GBADRO CCN(CCC[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC000736538530 599093516 /nfs/dbraw/zinc/09/35/16/599093516.db2.gz YHMBRVLUTGDGHT-CYBMUJFWSA-N 1 0 381.462 -0.346 20 0 GBADRO CCN(CCC[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC000736538532 599093123 /nfs/dbraw/zinc/09/31/23/599093123.db2.gz YHMBRVLUTGDGHT-ZDUSSCGKSA-N 1 0 381.462 -0.346 20 0 GBADRO CCN(CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)S(C)(=O)=O ZINC000736538651 598524574 /nfs/dbraw/zinc/52/45/74/598524574.db2.gz ZRACNRNUISAVGR-LLVKDONJSA-N 1 0 383.482 -0.634 20 0 GBADRO CCN(CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)S(C)(=O)=O ZINC000736538652 598524568 /nfs/dbraw/zinc/52/45/68/598524568.db2.gz ZRACNRNUISAVGR-NSHDSACASA-N 1 0 383.482 -0.634 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000736567630 598284950 /nfs/dbraw/zinc/28/49/50/598284950.db2.gz BUGGEDLFIXGETA-UHFFFAOYSA-N 1 0 399.503 -0.062 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736568160 598637440 /nfs/dbraw/zinc/63/74/40/598637440.db2.gz JHAHWOINQZWTGL-UHFFFAOYSA-N 1 0 390.423 -0.302 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 ZINC000736568222 598284813 /nfs/dbraw/zinc/28/48/13/598284813.db2.gz JXEBWJUNWQZLSU-UHFFFAOYSA-N 1 0 399.503 -0.062 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 ZINC000736568257 598285150 /nfs/dbraw/zinc/28/51/50/598285150.db2.gz KIIMGYNJTAPKBS-UHFFFAOYSA-N 1 0 399.503 -0.062 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[NH+](C)C ZINC000736587895 600126514 /nfs/dbraw/zinc/12/65/14/600126514.db2.gz HFJWCCOFLKMOTH-AWEZNQCLSA-N 1 0 391.472 -0.102 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[NH+](C)C ZINC000736587898 600126670 /nfs/dbraw/zinc/12/66/70/600126670.db2.gz HFJWCCOFLKMOTH-CQSZACIVSA-N 1 0 391.472 -0.102 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000736631304 637586783 /nfs/dbraw/zinc/58/67/83/637586783.db2.gz DVBOALTWLOFOCE-UHFFFAOYSA-N 1 0 391.515 -0.016 20 0 GBADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000736633395 599283383 /nfs/dbraw/zinc/28/33/83/599283383.db2.gz ATVSIBMGDOMXBJ-UHFFFAOYSA-N 1 0 391.432 -0.102 20 0 GBADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736658398 598521735 /nfs/dbraw/zinc/52/17/35/598521735.db2.gz DTXIHBLFKDJTLF-LLVKDONJSA-N 1 0 383.482 -0.634 20 0 GBADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736658399 598521721 /nfs/dbraw/zinc/52/17/21/598521721.db2.gz DTXIHBLFKDJTLF-NSHDSACASA-N 1 0 383.482 -0.634 20 0 GBADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736659740 599091705 /nfs/dbraw/zinc/09/17/05/599091705.db2.gz VNXWUUIRQSGAOE-CYBMUJFWSA-N 1 0 381.462 -0.346 20 0 GBADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736659742 599091507 /nfs/dbraw/zinc/09/15/07/599091507.db2.gz VNXWUUIRQSGAOE-ZDUSSCGKSA-N 1 0 381.462 -0.346 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660873 637587223 /nfs/dbraw/zinc/58/72/23/637587223.db2.gz NBBYCLATZJAFPT-HNNXBMFYSA-N 1 0 376.523 -0.485 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000736660876 637586596 /nfs/dbraw/zinc/58/65/96/637586596.db2.gz NBBYCLATZJAFPT-OAHLLOKOSA-N 1 0 376.523 -0.485 20 0 GBADRO CCS(=O)(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736665175 598593366 /nfs/dbraw/zinc/59/33/66/598593366.db2.gz QEAQDLDTAKNFOE-UHFFFAOYSA-N 1 0 379.490 -0.076 20 0 GBADRO C[NH+](C)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736757097 598600934 /nfs/dbraw/zinc/60/09/34/598600934.db2.gz OLQGQFLQLXDHRB-AWEZNQCLSA-N 1 0 378.458 -0.056 20 0 GBADRO C[NH+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736757098 598600608 /nfs/dbraw/zinc/60/06/08/598600608.db2.gz OLQGQFLQLXDHRB-CQSZACIVSA-N 1 0 378.458 -0.056 20 0 GBADRO C[NH+](C)C[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736758608 599219017 /nfs/dbraw/zinc/21/90/17/599219017.db2.gz HANXGYIGOMTPEG-GFCCVEGCSA-N 1 0 375.437 -0.354 20 0 GBADRO C[NH+](C)C[C@H]1CN(C(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736758609 599218903 /nfs/dbraw/zinc/21/89/03/599218903.db2.gz HANXGYIGOMTPEG-LBPRGKRZSA-N 1 0 375.437 -0.354 20 0 GBADRO C[NH+](C)C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736759115 599219444 /nfs/dbraw/zinc/21/94/44/599219444.db2.gz NCPULEWICFBPOU-CYBMUJFWSA-N 1 0 375.437 -0.354 20 0 GBADRO C[NH+](C)C[C@H]1CN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736759116 599219532 /nfs/dbraw/zinc/21/95/32/599219532.db2.gz NCPULEWICFBPOU-ZDUSSCGKSA-N 1 0 375.437 -0.354 20 0 GBADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000736759267 598878095 /nfs/dbraw/zinc/87/80/95/598878095.db2.gz LIOZOABBOZNPOQ-UHFFFAOYSA-N 1 0 387.444 -0.177 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000736760771 598414893 /nfs/dbraw/zinc/41/48/93/598414893.db2.gz CLJCKRDFPCEMIV-UHFFFAOYSA-N 1 0 379.446 -0.739 20 0 GBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736762444 598564027 /nfs/dbraw/zinc/56/40/27/598564027.db2.gz HXQRFFIKASRUPS-SECBINFHSA-N 1 0 399.358 -0.555 20 0 GBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736762447 598563593 /nfs/dbraw/zinc/56/35/93/598563593.db2.gz HXQRFFIKASRUPS-VIFPVBQESA-N 1 0 399.358 -0.555 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736762554 598690036 /nfs/dbraw/zinc/69/00/36/598690036.db2.gz IZUFGHVYBDSTQC-UHFFFAOYSA-N 1 0 397.436 -0.600 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736762821 598870917 /nfs/dbraw/zinc/87/09/17/598870917.db2.gz KNZTWJZIMLCFQU-UHFFFAOYSA-N 1 0 397.436 -0.600 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736763490 598564139 /nfs/dbraw/zinc/56/41/39/598564139.db2.gz LDTLQVYBDPLPFF-UHFFFAOYSA-N 1 0 392.489 -0.037 20 0 GBADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CN1CC(=O)NC1=O ZINC000736766534 598627183 /nfs/dbraw/zinc/62/71/83/598627183.db2.gz APFIKKIAHSYQGK-UHFFFAOYSA-N 1 0 386.416 -0.691 20 0 GBADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CN1CC(=O)NC1=O ZINC000736767559 599384495 /nfs/dbraw/zinc/38/44/95/599384495.db2.gz QXUWGFCDEHKELG-UHFFFAOYSA-N 1 0 386.416 -0.691 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000736768245 599087968 /nfs/dbraw/zinc/08/79/68/599087968.db2.gz BOCQJBYYZUINSP-UHFFFAOYSA-N 1 0 383.416 -0.007 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cn1 ZINC000736768339 599087987 /nfs/dbraw/zinc/08/79/87/599087987.db2.gz FHZZRSKAJVUYCD-UHFFFAOYSA-N 1 0 384.404 -0.612 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736768649 599087360 /nfs/dbraw/zinc/08/73/60/599087360.db2.gz GWKVGSHJKZUOIB-UHFFFAOYSA-N 1 0 397.443 -0.078 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1=O ZINC000736768696 598408635 /nfs/dbraw/zinc/40/86/35/598408635.db2.gz HWDZWVOQSCFUQV-AWEZNQCLSA-N 1 0 399.459 -0.927 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1=O ZINC000736768697 598409032 /nfs/dbraw/zinc/40/90/32/598409032.db2.gz HWDZWVOQSCFUQV-CQSZACIVSA-N 1 0 399.459 -0.927 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1=O ZINC000736769810 598895878 /nfs/dbraw/zinc/89/58/78/598895878.db2.gz SZPIZCFSFNOKEU-GFCCVEGCSA-N 1 0 387.448 -0.800 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1=O ZINC000736769814 598895591 /nfs/dbraw/zinc/89/55/91/598895591.db2.gz SZPIZCFSFNOKEU-LBPRGKRZSA-N 1 0 387.448 -0.800 20 0 GBADRO C[NH+](C)CCN1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000736769819 599272203 /nfs/dbraw/zinc/27/22/03/599272203.db2.gz TYZBQFKDVCZPHG-UHFFFAOYSA-N 1 0 394.505 -0.048 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1=O ZINC000736769838 598408928 /nfs/dbraw/zinc/40/89/28/598408928.db2.gz UEQKRNZGGQAQHO-AWEZNQCLSA-N 1 0 399.459 -0.927 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1=O ZINC000736769840 598408537 /nfs/dbraw/zinc/40/85/37/598408537.db2.gz UEQKRNZGGQAQHO-CQSZACIVSA-N 1 0 399.459 -0.927 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)cn1 ZINC000736769893 599087554 /nfs/dbraw/zinc/08/75/54/599087554.db2.gz WFMSZORKDYEVCU-UHFFFAOYSA-N 1 0 384.404 -0.612 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736769912 599087926 /nfs/dbraw/zinc/08/79/26/599087926.db2.gz WUCLUIMQZZYMMC-UHFFFAOYSA-N 1 0 383.416 -0.007 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736771502 598405961 /nfs/dbraw/zinc/40/59/61/598405961.db2.gz OBPWFCJSIXYZJH-UHFFFAOYSA-N 1 0 383.416 -0.007 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736771773 598405844 /nfs/dbraw/zinc/40/58/44/598405844.db2.gz RDBHLEQGGSYVKK-UHFFFAOYSA-N 1 0 383.416 -0.007 20 0 GBADRO C[N@H+](CCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801383 598349631 /nfs/dbraw/zinc/34/96/31/598349631.db2.gz JAUSIXSJCJYEAS-INIZCTEOSA-N 1 0 376.461 -0.005 20 0 GBADRO C[N@H+](CCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801386 598349757 /nfs/dbraw/zinc/34/97/57/598349757.db2.gz JAUSIXSJCJYEAS-MRXNPFEDSA-N 1 0 376.461 -0.005 20 0 GBADRO CN1C(=O)N[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)C1=O ZINC000736845872 598761121 /nfs/dbraw/zinc/76/11/21/598761121.db2.gz OOQKYHDXHIIGSJ-KRWDZBQOSA-N 1 0 384.400 -0.179 20 0 GBADRO CN1C(=O)N[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)C1=O ZINC000736845874 598760844 /nfs/dbraw/zinc/76/08/44/598760844.db2.gz OOQKYHDXHIIGSJ-QGZVFWFLSA-N 1 0 384.400 -0.179 20 0 GBADRO C[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736847143 598622674 /nfs/dbraw/zinc/62/26/74/598622674.db2.gz FKKSBFMBHHCSQA-CYBMUJFWSA-N 1 0 378.458 -0.151 20 0 GBADRO C[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736847154 598622619 /nfs/dbraw/zinc/62/26/19/598622619.db2.gz FKKSBFMBHHCSQA-ZDUSSCGKSA-N 1 0 378.458 -0.151 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736854644 599083344 /nfs/dbraw/zinc/08/33/44/599083344.db2.gz DZJLQHSFLGVQHT-CYBMUJFWSA-N 1 0 392.489 -0.338 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736854649 599083457 /nfs/dbraw/zinc/08/34/57/599083457.db2.gz DZJLQHSFLGVQHT-ZDUSSCGKSA-N 1 0 392.489 -0.338 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736854754 599022467 /nfs/dbraw/zinc/02/24/67/599022467.db2.gz HRSDQISBTGBOSR-UHFFFAOYSA-N 1 0 375.437 -0.571 20 0 GBADRO CN(c1ncccc1-c1nn[nH]n1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000736855210 598592249 /nfs/dbraw/zinc/59/22/49/598592249.db2.gz AVSRFULSDPUOLF-UHFFFAOYSA-N 1 0 399.503 -0.064 20 0 GBADRO CN1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736855289 599272796 /nfs/dbraw/zinc/27/27/96/599272796.db2.gz BGLPXYNBHNQVAG-UHFFFAOYSA-N 1 0 392.489 -0.037 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736856160 599025445 /nfs/dbraw/zinc/02/54/45/599025445.db2.gz NISBOPPLWVXEDD-UHFFFAOYSA-N 1 0 377.380 -0.483 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736856568 598734263 /nfs/dbraw/zinc/73/42/63/598734263.db2.gz KOOGCVQPWNRIMS-LLVKDONJSA-N 1 0 392.851 -0.179 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736856570 598734183 /nfs/dbraw/zinc/73/41/83/598734183.db2.gz KOOGCVQPWNRIMS-NSHDSACASA-N 1 0 392.851 -0.179 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC000736857063 599024359 /nfs/dbraw/zinc/02/43/59/599024359.db2.gz RPEIUYFXYULZLE-UHFFFAOYSA-N 1 0 375.437 -0.571 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736857710 598696153 /nfs/dbraw/zinc/69/61/53/598696153.db2.gz SVINKLOVEGNOAU-LLVKDONJSA-N 1 0 392.851 -0.179 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736857711 598696147 /nfs/dbraw/zinc/69/61/47/598696147.db2.gz SVINKLOVEGNOAU-NSHDSACASA-N 1 0 392.851 -0.179 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736858375 598734233 /nfs/dbraw/zinc/73/42/33/598734233.db2.gz YDROUBFXXXCULQ-LLVKDONJSA-N 1 0 376.396 -0.694 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736858376 598734179 /nfs/dbraw/zinc/73/41/79/598734179.db2.gz YDROUBFXXXCULQ-NSHDSACASA-N 1 0 376.396 -0.694 20 0 GBADRO C[NH+]1CCN(C[C@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862955 598345176 /nfs/dbraw/zinc/34/51/76/598345176.db2.gz GXZWMKUUGIQUKH-KRWDZBQOSA-N 1 0 385.472 -0.116 20 0 GBADRO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862958 598345170 /nfs/dbraw/zinc/34/51/70/598345170.db2.gz GXZWMKUUGIQUKH-QGZVFWFLSA-N 1 0 385.472 -0.116 20 0 GBADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736863033 598406448 /nfs/dbraw/zinc/40/64/48/598406448.db2.gz HJYNSVZRNFPGJR-UHFFFAOYSA-N 1 0 380.478 -0.432 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736863297 599006202 /nfs/dbraw/zinc/00/62/02/599006202.db2.gz IZJFULDBSFBIHR-UHFFFAOYSA-N 1 0 380.478 -0.480 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736863934 598717639 /nfs/dbraw/zinc/71/76/39/598717639.db2.gz NIMAQRVAMSIFIO-HNNXBMFYSA-N 1 0 399.503 -0.056 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736863938 598717664 /nfs/dbraw/zinc/71/76/64/598717664.db2.gz NIMAQRVAMSIFIO-OAHLLOKOSA-N 1 0 399.503 -0.056 20 0 GBADRO C[NH+]1CCN(CCNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736864139 598816007 /nfs/dbraw/zinc/81/60/07/598816007.db2.gz PSFDSMQCYWOXKR-UHFFFAOYSA-N 1 0 396.459 -0.388 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736864618 598696265 /nfs/dbraw/zinc/69/62/65/598696265.db2.gz TVJRSYMEBSOSER-AWEZNQCLSA-N 1 0 396.459 -0.390 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736864621 598696279 /nfs/dbraw/zinc/69/62/79/598696279.db2.gz TVJRSYMEBSOSER-CQSZACIVSA-N 1 0 396.459 -0.390 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736865141 598635780 /nfs/dbraw/zinc/63/57/80/598635780.db2.gz VVDCHPSCWKTPAU-UHFFFAOYSA-N 1 0 390.423 -0.302 20 0 GBADRO CNC(=O)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000736873386 598632852 /nfs/dbraw/zinc/63/28/52/598632852.db2.gz JHTBXUBVCNRMQT-UHFFFAOYSA-N 1 0 394.461 -0.864 20 0 GBADRO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736875307 598879534 /nfs/dbraw/zinc/87/95/34/598879534.db2.gz WGPMDTMUBKBUMU-INIZCTEOSA-N 1 0 387.444 -0.119 20 0 GBADRO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736875310 598879200 /nfs/dbraw/zinc/87/92/00/598879200.db2.gz WGPMDTMUBKBUMU-MRXNPFEDSA-N 1 0 387.444 -0.119 20 0 GBADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736883776 598627193 /nfs/dbraw/zinc/62/71/93/598627193.db2.gz QSJKIMKVHVYIEN-CYBMUJFWSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736883777 598626875 /nfs/dbraw/zinc/62/68/75/598626875.db2.gz QSJKIMKVHVYIEN-ZDUSSCGKSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)CCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736883801 598813276 /nfs/dbraw/zinc/81/32/76/598813276.db2.gz RILWXASIIFLZET-UHFFFAOYSA-N 1 0 379.490 -0.076 20 0 GBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736918520 598700822 /nfs/dbraw/zinc/70/08/22/598700822.db2.gz DVKSJZIPXQEFQW-UHFFFAOYSA-N 1 0 388.432 -0.595 20 0 GBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736919380 598700504 /nfs/dbraw/zinc/70/05/04/598700504.db2.gz QCKKFYKENIKJIM-UHFFFAOYSA-N 1 0 388.432 -0.595 20 0 GBADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736919661 598700803 /nfs/dbraw/zinc/70/08/03/598700803.db2.gz VNHAKRCNLPYXKJ-UHFFFAOYSA-N 1 0 388.432 -0.595 20 0 GBADRO COC(=O)CNC(=O)CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736930251 598700717 /nfs/dbraw/zinc/70/07/17/598700717.db2.gz AGDRUYUSJPJYKJ-UHFFFAOYSA-N 1 0 387.444 -0.336 20 0 GBADRO COC(=O)CNC(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736931759 598622499 /nfs/dbraw/zinc/62/24/99/598622499.db2.gz VDISSQMAEZYXHP-UHFFFAOYSA-N 1 0 391.407 -0.193 20 0 GBADRO COC(=O)CNC(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736932066 598622485 /nfs/dbraw/zinc/62/24/85/598622485.db2.gz ZSUFYOOOFSVDQY-UHFFFAOYSA-N 1 0 391.407 -0.193 20 0 GBADRO COCC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736988984 598401593 /nfs/dbraw/zinc/40/15/93/598401593.db2.gz SXSMYHJBWQCUFF-UHFFFAOYSA-N 1 0 375.433 -0.319 20 0 GBADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736989551 599283265 /nfs/dbraw/zinc/28/32/65/599283265.db2.gz DLKQVDCYUXVOOJ-UHFFFAOYSA-N 1 0 377.405 -0.492 20 0 GBADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736990299 598412789 /nfs/dbraw/zinc/41/27/89/598412789.db2.gz MRPDAIALQSNGHC-UHFFFAOYSA-N 1 0 389.464 -0.329 20 0 GBADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736990559 598413458 /nfs/dbraw/zinc/41/34/58/598413458.db2.gz QAFJGYDLUCCVKG-UHFFFAOYSA-N 1 0 389.464 -0.329 20 0 GBADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736990820 598413334 /nfs/dbraw/zinc/41/33/34/598413334.db2.gz SGPAJNQTNJDZJW-UHFFFAOYSA-N 1 0 389.464 -0.329 20 0 GBADRO COCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736990960 598260470 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COCC[N@@H+]1CC[C@H](NC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000737005388 599492219 /nfs/dbraw/zinc/49/22/19/599492219.db2.gz AUUJQXRUKXZAGU-ZDUSSCGKSA-N 1 0 375.437 -0.307 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737005470 598529856 /nfs/dbraw/zinc/52/98/56/598529856.db2.gz BCCGIXNXSITLQR-HNNXBMFYSA-N 1 0 387.444 -0.177 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737005473 598529923 /nfs/dbraw/zinc/52/99/23/598529923.db2.gz BCCGIXNXSITLQR-OAHLLOKOSA-N 1 0 387.444 -0.177 20 0 GBADRO COCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737006728 598404661 /nfs/dbraw/zinc/40/46/61/598404661.db2.gz IOSNXDKPVOMXSQ-UHFFFAOYSA-N 1 0 387.444 -0.177 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 ZINC000737008103 599493807 /nfs/dbraw/zinc/49/38/07/599493807.db2.gz SEBAATDHLYXDEE-GFCCVEGCSA-N 1 0 375.437 -0.307 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 ZINC000737008106 599493084 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O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCN1CC(F)(F)F ZINC000738290579 598749819 /nfs/dbraw/zinc/74/98/19/598749819.db2.gz QSKIMUBPJYLPAQ-WPRPVWTQSA-N 1 0 385.354 -0.142 20 0 GBADRO O=C(CN1CC(=O)NC1=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738302777 598625443 /nfs/dbraw/zinc/62/54/43/598625443.db2.gz NNZLMMAKHDIHIK-UHFFFAOYSA-N 1 0 398.427 -0.547 20 0 GBADRO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)N1 ZINC000738315123 598568360 /nfs/dbraw/zinc/56/83/60/598568360.db2.gz FHVGJHRSGQMFRZ-GFCCVEGCSA-N 1 0 387.400 -0.720 20 0 GBADRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)N1 ZINC000738315124 598568721 /nfs/dbraw/zinc/56/87/21/598568721.db2.gz FHVGJHRSGQMFRZ-LBPRGKRZSA-N 1 0 387.400 -0.720 20 0 GBADRO O=S(=O)(CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CCOCC1 ZINC000738328867 599488958 /nfs/dbraw/zinc/48/89/58/599488958.db2.gz GSCPSZXSLCLMBK-UHFFFAOYSA-N 1 0 392.445 -0.734 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)NCC1CCC1 ZINC000738329141 598597460 /nfs/dbraw/zinc/59/74/60/598597460.db2.gz CCVFQKPOVHZOLT-GFCCVEGCSA-N 1 0 395.493 -0.586 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)NCC1CCC1 ZINC000738329142 598597160 /nfs/dbraw/zinc/59/71/60/598597160.db2.gz CCVFQKPOVHZOLT-LBPRGKRZSA-N 1 0 395.493 -0.586 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738356400 599174185 /nfs/dbraw/zinc/17/41/85/599174185.db2.gz AYIUYSWQPOHCSJ-CABCVRRESA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](N2CCOCC2)C1 ZINC000738356402 599173989 /nfs/dbraw/zinc/17/39/89/599173989.db2.gz AYIUYSWQPOHCSJ-GJZGRUSLSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](N2CCOCC2)C1 ZINC000738356403 599173695 /nfs/dbraw/zinc/17/36/95/599173695.db2.gz AYIUYSWQPOHCSJ-HUUCEWRRSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](N2CCOCC2)C1 ZINC000738356404 599174148 /nfs/dbraw/zinc/17/41/48/599174148.db2.gz AYIUYSWQPOHCSJ-LSDHHAIUSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC000738356450 599174239 /nfs/dbraw/zinc/17/42/39/599174239.db2.gz CCRWECLULCHAMU-CABCVRRESA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](N2CCOCC2)C1 ZINC000738356451 599173509 /nfs/dbraw/zinc/17/35/09/599173509.db2.gz CCRWECLULCHAMU-GJZGRUSLSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC000738356452 599173484 /nfs/dbraw/zinc/17/34/84/599173484.db2.gz CCRWECLULCHAMU-HUUCEWRRSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC000738356453 599174119 /nfs/dbraw/zinc/17/41/19/599174119.db2.gz CCRWECLULCHAMU-LSDHHAIUSA-N 1 0 378.458 -0.546 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738356709 599173472 /nfs/dbraw/zinc/17/34/72/599173472.db2.gz IRZSZUHJDUAXLQ-CABCVRRESA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)[C@@H](N2CCOCC2)C1 ZINC000738356711 599173720 /nfs/dbraw/zinc/17/37/20/599173720.db2.gz IRZSZUHJDUAXLQ-GJZGRUSLSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC000738356712 599173387 /nfs/dbraw/zinc/17/33/87/599173387.db2.gz IRZSZUHJDUAXLQ-HUUCEWRRSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)[C@H](N2CCOCC2)C1 ZINC000738356714 599173995 /nfs/dbraw/zinc/17/39/95/599173995.db2.gz IRZSZUHJDUAXLQ-LSDHHAIUSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738359288 598531331 /nfs/dbraw/zinc/53/13/31/598531331.db2.gz ZAYCJPPOIBLQRP-LLVKDONJSA-N 1 0 381.466 -0.880 20 0 GBADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738359291 598531420 /nfs/dbraw/zinc/53/14/20/598531420.db2.gz ZAYCJPPOIBLQRP-NSHDSACASA-N 1 0 381.466 -0.880 20 0 GBADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000738359317 598286458 /nfs/dbraw/zinc/28/64/58/598286458.db2.gz ZQVIQTYQHLBYOC-UHFFFAOYSA-N 1 0 377.434 -0.575 20 0 GBADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738397320 598525550 /nfs/dbraw/zinc/52/55/50/598525550.db2.gz QDEMUDGBCXUTML-BXUZGUMPSA-N 1 0 384.448 -0.039 20 0 GBADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738397323 598525832 /nfs/dbraw/zinc/52/58/32/598525832.db2.gz QDEMUDGBCXUTML-FZMZJTMJSA-N 1 0 384.448 -0.039 20 0 GBADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738397329 598525557 /nfs/dbraw/zinc/52/55/57/598525557.db2.gz QDEMUDGBCXUTML-RISCZKNCSA-N 1 0 384.448 -0.039 20 0 GBADRO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738397335 598525664 /nfs/dbraw/zinc/52/56/64/598525664.db2.gz QDEMUDGBCXUTML-SMDDNHRTSA-N 1 0 384.448 -0.039 20 0 GBADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1nnnn1-c1ccccc1)C2 ZINC000738426511 598526758 /nfs/dbraw/zinc/52/67/58/598526758.db2.gz RMLUMGWGYHJJSM-LLVKDONJSA-N 1 0 378.404 -0.130 20 0 GBADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1nnnn1-c1ccccc1)C2 ZINC000738426514 598526909 /nfs/dbraw/zinc/52/69/09/598526909.db2.gz RMLUMGWGYHJJSM-NSHDSACASA-N 1 0 378.404 -0.130 20 0 GBADRO c1ncn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cn2)n1 ZINC000738449583 598523500 /nfs/dbraw/zinc/52/35/00/598523500.db2.gz JMJOTNYFCNKNFY-GFCCVEGCSA-N 1 0 378.404 -0.130 20 0 GBADRO c1ncn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cn2)n1 ZINC000738449585 598523609 /nfs/dbraw/zinc/52/36/09/598523609.db2.gz JMJOTNYFCNKNFY-LBPRGKRZSA-N 1 0 378.404 -0.130 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739457527 603023167 /nfs/dbraw/zinc/02/31/67/603023167.db2.gz VRYSWXVTKGGIFO-HNNXBMFYSA-N 1 0 383.493 -0.317 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000739457528 603023016 /nfs/dbraw/zinc/02/30/16/603023016.db2.gz VRYSWXVTKGGIFO-OAHLLOKOSA-N 1 0 383.493 -0.317 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 ZINC000739957887 637388623 /nfs/dbraw/zinc/38/86/23/637388623.db2.gz NLDRILUADCDOBP-UHFFFAOYSA-N 1 0 376.523 -0.172 20 0 GBADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000740750942 637621501 /nfs/dbraw/zinc/62/15/01/637621501.db2.gz RABHPMLAUDCFOV-HNNXBMFYSA-N 1 0 377.507 -0.442 20 0 GBADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000740750943 637621978 /nfs/dbraw/zinc/62/19/78/637621978.db2.gz RABHPMLAUDCFOV-OAHLLOKOSA-N 1 0 377.507 -0.442 20 0 GBADRO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000740875414 637622085 /nfs/dbraw/zinc/62/20/85/637622085.db2.gz ZCNKQIFFIRSERS-HNNXBMFYSA-N 1 0 379.548 -0.393 20 0 GBADRO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000740875415 637622284 /nfs/dbraw/zinc/62/22/84/637622284.db2.gz ZCNKQIFFIRSERS-OAHLLOKOSA-N 1 0 379.548 -0.393 20 0 GBADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000740875505 637622196 /nfs/dbraw/zinc/62/21/96/637622196.db2.gz DTAJTYXJOCWPJL-GFCCVEGCSA-N 1 0 378.495 -0.372 20 0 GBADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000740875506 637622246 /nfs/dbraw/zinc/62/22/46/637622246.db2.gz DTAJTYXJOCWPJL-LBPRGKRZSA-N 1 0 378.495 -0.372 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000741158092 637623588 /nfs/dbraw/zinc/62/35/88/637623588.db2.gz CIUXLVMWQCDLEL-AWEZNQCLSA-N 1 0 377.511 -0.769 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000741158093 637623417 /nfs/dbraw/zinc/62/34/17/637623417.db2.gz CIUXLVMWQCDLEL-CQSZACIVSA-N 1 0 377.511 -0.769 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=S)NCCC[NH+](C)C)CC2)cn1 ZINC000741170675 637623356 /nfs/dbraw/zinc/62/33/56/637623356.db2.gz XWIHNJNAFQPHHN-UHFFFAOYSA-N 1 0 388.563 -0.011 20 0 GBADRO CN1CCC(CNC(=S)NCCNS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000741877591 637626599 /nfs/dbraw/zinc/62/65/99/637626599.db2.gz VGTRBVKEGLEIMW-UHFFFAOYSA-N 1 0 391.607 -0.050 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cn2)CC1 ZINC000742277894 637628328 /nfs/dbraw/zinc/62/83/28/637628328.db2.gz CEGSUJMYWFQENQ-UHFFFAOYSA-N 1 0 390.531 -0.313 20 0 GBADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)CCS(C)(=O)=O)ccn2)CC1 ZINC000742279528 637628303 /nfs/dbraw/zinc/62/83/03/637628303.db2.gz RGMYZDLDXSVPOU-UHFFFAOYSA-N 1 0 376.504 -0.703 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742283905 637628163 /nfs/dbraw/zinc/62/81/63/637628163.db2.gz JQPYVJZNDIYXQD-UHFFFAOYSA-N 1 0 376.504 -0.703 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742286570 637628973 /nfs/dbraw/zinc/62/89/73/637628973.db2.gz DBQOANKVPBAQEZ-GASCZTMLSA-N 1 0 381.564 -0.149 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742286571 637629112 /nfs/dbraw/zinc/62/91/12/637629112.db2.gz DBQOANKVPBAQEZ-GJZGRUSLSA-N 1 0 381.564 -0.149 20 0 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/nfs/dbraw/zinc/63/38/80/637633880.db2.gz NAIPTDGHYSPVID-UHFFFAOYSA-N 1 0 377.507 -0.008 20 0 GBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627214 637634121 /nfs/dbraw/zinc/63/41/21/637634121.db2.gz WMUXFTPDIZQWAX-AWEZNQCLSA-N 1 0 376.523 -0.485 20 0 GBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOCCS(C)(=O)=O)C2)CC1 ZINC000743627215 637633728 /nfs/dbraw/zinc/63/37/28/637633728.db2.gz WMUXFTPDIZQWAX-CQSZACIVSA-N 1 0 376.523 -0.485 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000743640010 637634081 /nfs/dbraw/zinc/63/40/81/637634081.db2.gz LZGYGTLMJODKGJ-UHFFFAOYSA-N 1 0 377.507 -0.199 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000744572877 637637071 /nfs/dbraw/zinc/63/70/71/637637071.db2.gz SSCUVWORWUERRI-AWEZNQCLSA-N 1 0 375.491 -0.057 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000744736376 637637924 /nfs/dbraw/zinc/63/79/24/637637924.db2.gz GKMSGJAYKVUTRT-UHFFFAOYSA-N 1 0 375.491 -0.751 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000744809485 637638679 /nfs/dbraw/zinc/63/86/79/637638679.db2.gz DIRWWSQMCYNDQT-UHFFFAOYSA-N 1 0 375.491 -0.056 20 0 GBADRO CS(=O)(=O)NCCNC(=S)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745178573 637640159 /nfs/dbraw/zinc/64/01/59/637640159.db2.gz OTOQWLBMYAWLKL-UHFFFAOYSA-N 1 0 378.564 -0.013 20 0 GBADRO CC(C)[C@H](CNC(=O)NCCOCCS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000745431028 637641599 /nfs/dbraw/zinc/64/15/99/637641599.db2.gz BOSCSIJXLCXCNM-HNNXBMFYSA-N 1 0 378.539 -0.381 20 0 GBADRO CC(C)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000745431034 637641508 /nfs/dbraw/zinc/64/15/08/637641508.db2.gz BOSCSIJXLCXCNM-OAHLLOKOSA-N 1 0 378.539 -0.381 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745824079 637642132 /nfs/dbraw/zinc/64/21/32/637642132.db2.gz FSOPTZMKRRHJPY-HNNXBMFYSA-N 1 0 377.507 -0.010 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745824082 637642355 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20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000759790667 1073326395 /nfs/dbraw/zinc/32/63/95/1073326395.db2.gz OHJGAAVDXSBBBN-INIZCTEOSA-N 1 0 388.534 -0.677 20 0 GBADRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000759790668 1073326651 /nfs/dbraw/zinc/32/66/51/1073326651.db2.gz OHJGAAVDXSBBBN-MRXNPFEDSA-N 1 0 388.534 -0.677 20 0 GBADRO CC(C)C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)NCC[NH+](C)C ZINC000759903365 1073350354 /nfs/dbraw/zinc/35/03/54/1073350354.db2.gz MLRDBZBJGHRUDY-KIUWMYQTSA-N 1 0 393.488 -0.694 20 0 GBADRO CC(C)C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)NCC[NH+](C)C ZINC000759903366 1073349729 /nfs/dbraw/zinc/34/97/29/1073349729.db2.gz MLRDBZBJGHRUDY-LZNQSLFOSA-N 1 0 393.488 -0.694 20 0 GBADRO CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)NCC[NH+](C)C ZINC000759903472 1073349918 /nfs/dbraw/zinc/34/99/18/1073349918.db2.gz NWZMYAQKGPDCSW-HIFRSBDPSA-N 1 0 378.477 -0.029 20 0 GBADRO CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)NCC[NH+](C)C ZINC000759903475 1073350110 /nfs/dbraw/zinc/35/01/10/1073350110.db2.gz NWZMYAQKGPDCSW-ZFWWWQNUSA-N 1 0 378.477 -0.029 20 0 GBADRO Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000759903664 1073350236 /nfs/dbraw/zinc/35/02/36/1073350236.db2.gz JYVFYMHJWHIIRD-INIZCTEOSA-N 1 0 395.456 -0.121 20 0 GBADRO Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000759903679 1073350197 /nfs/dbraw/zinc/35/01/97/1073350197.db2.gz JYVFYMHJWHIIRD-MRXNPFEDSA-N 1 0 395.456 -0.121 20 0 GBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000760121817 1073617576 /nfs/dbraw/zinc/61/75/76/1073617576.db2.gz VRHTTZRQUYKQBT-CJNGLKHVSA-N 1 0 389.456 -0.474 20 0 GBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000760121818 1073617827 /nfs/dbraw/zinc/61/78/27/1073617827.db2.gz VRHTTZRQUYKQBT-CZUORRHYSA-N 1 0 389.456 -0.474 20 0 GBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000760121820 1073617790 /nfs/dbraw/zinc/61/77/90/1073617790.db2.gz VRHTTZRQUYKQBT-XJKSGUPXSA-N 1 0 389.456 -0.474 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000760169748 1073864004 /nfs/dbraw/zinc/86/40/04/1073864004.db2.gz SBBTZFQANVUCRU-UHFFFAOYSA-N 1 0 390.550 -0.407 20 0 GBADRO CC(C)[NH+]1CCN(C2CCN(C(=S)NCCNS(C)(=O)=O)CC2)CC1 ZINC000760232328 637723529 /nfs/dbraw/zinc/72/35/29/637723529.db2.gz QTGOFAPLHXLSDI-UHFFFAOYSA-N 1 0 391.607 -0.100 20 0 GBADRO C[NH+]1CCC(CNC(=S)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000760476629 637724333 /nfs/dbraw/zinc/72/43/33/637724333.db2.gz QIDFQAVWUMKFAU-UHFFFAOYSA-N 1 0 377.580 -0.631 20 0 GBADRO C[NH+]1CCC(CNC(=S)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000760492554 637724278 /nfs/dbraw/zinc/72/42/78/637724278.db2.gz VJNSDBNDQZWOPH-UHFFFAOYSA-N 1 0 375.520 -0.100 20 0 GBADRO CCCCS(=O)(=O)NCC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000760692636 637725664 /nfs/dbraw/zinc/72/56/64/637725664.db2.gz MAHUMZZRSXKINO-UHFFFAOYSA-N 1 0 375.491 -0.008 20 0 GBADRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000760814368 637726035 /nfs/dbraw/zinc/72/60/35/637726035.db2.gz RHMLNCUSYPXJET-CVEARBPZSA-N 1 0 393.575 -0.005 20 0 GBADRO C[N@@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000760814369 637726328 /nfs/dbraw/zinc/72/63/28/637726328.db2.gz RHMLNCUSYPXJET-HOTGVXAUSA-N 1 0 393.575 -0.005 20 0 GBADRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000760814370 637726300 /nfs/dbraw/zinc/72/63/00/637726300.db2.gz RHMLNCUSYPXJET-HZPDHXFCSA-N 1 0 393.575 -0.005 20 0 GBADRO C[N@@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000760814371 637726120 /nfs/dbraw/zinc/72/61/20/637726120.db2.gz RHMLNCUSYPXJET-JKSUJKDBSA-N 1 0 393.575 -0.005 20 0 GBADRO CN(CCCNC(=O)C[NH+]1CCC(C2(C)OCCO2)CC1)S(C)(=O)=O ZINC000760899538 637726337 /nfs/dbraw/zinc/72/63/37/637726337.db2.gz JYMOQDDCYIPRSH-UHFFFAOYSA-N 1 0 377.507 -0.141 20 0 GBADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000761021979 637726233 /nfs/dbraw/zinc/72/62/33/637726233.db2.gz FKBMPABHVQYXKO-UKTHLTGXSA-N 1 0 377.488 -0.281 20 0 GBADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000761029427 637727038 /nfs/dbraw/zinc/72/70/38/637727038.db2.gz PMWFKCNXVGIDQZ-NTEUORMPSA-N 1 0 391.515 -0.033 20 0 GBADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000761029428 637726786 /nfs/dbraw/zinc/72/67/86/637726786.db2.gz PMWFKCNXVGIDQZ-ZROIWOOFSA-N 1 0 391.515 -0.033 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=S)NCCNS(C)(=O)=O)ccn1 ZINC000762461116 637730184 /nfs/dbraw/zinc/73/01/84/637730184.db2.gz KSIQNFHPQHZFGB-UHFFFAOYSA-N 1 0 375.520 -0.465 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000762715288 637730996 /nfs/dbraw/zinc/73/09/96/637730996.db2.gz BAPFFDIRMYJDBL-CYBMUJFWSA-N 1 0 392.275 -0.107 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000762715289 637730702 /nfs/dbraw/zinc/73/07/02/637730702.db2.gz BAPFFDIRMYJDBL-ZDUSSCGKSA-N 1 0 392.275 -0.107 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c2=O ZINC000762720031 637731090 /nfs/dbraw/zinc/73/10/90/637731090.db2.gz UDWCUXHTUVEUOW-AWEZNQCLSA-N 1 0 399.249 -0.925 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@]1(O)CC[N@H+](C)C1)c2=O ZINC000762720032 637731063 /nfs/dbraw/zinc/73/10/63/637731063.db2.gz UDWCUXHTUVEUOW-CQSZACIVSA-N 1 0 399.249 -0.925 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000762721077 637731020 /nfs/dbraw/zinc/73/10/20/637731020.db2.gz HTIVEDGQGBNSHU-LLVKDONJSA-N 1 0 398.304 -0.046 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000762721078 637730900 /nfs/dbraw/zinc/73/09/00/637730900.db2.gz HTIVEDGQGBNSHU-NSHDSACASA-N 1 0 398.304 -0.046 20 0 GBADRO CN(CCCNC(=O)CON=C(N)C[NH+]1CCCCCC1)S(C)(=O)=O ZINC000762740157 637730948 /nfs/dbraw/zinc/73/09/48/637730948.db2.gz HTTFRGRRHSOXRH-UHFFFAOYSA-N 1 0 377.511 -0.241 20 0 GBADRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCCCN(C)S(C)(=O)=O ZINC000762741826 637731044 /nfs/dbraw/zinc/73/10/44/637731044.db2.gz PZIGBLXWWFFUMG-CYBMUJFWSA-N 1 0 377.511 -0.243 20 0 GBADRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCCCN(C)S(C)(=O)=O ZINC000762741827 637730667 /nfs/dbraw/zinc/73/06/67/637730667.db2.gz PZIGBLXWWFFUMG-ZDUSSCGKSA-N 1 0 377.511 -0.243 20 0 GBADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000763023745 637731366 /nfs/dbraw/zinc/73/13/66/637731366.db2.gz FMNZFLOFPKAODS-CYBMUJFWSA-N 1 0 393.531 -0.868 20 0 GBADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000763023747 637731741 /nfs/dbraw/zinc/73/17/41/637731741.db2.gz FMNZFLOFPKAODS-ZDUSSCGKSA-N 1 0 393.531 -0.868 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000763061105 637731565 /nfs/dbraw/zinc/73/15/65/637731565.db2.gz WVUZAUGPJDSVJA-AWEZNQCLSA-N 1 0 384.449 -0.383 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000763061109 637732348 /nfs/dbraw/zinc/73/23/48/637732348.db2.gz WVUZAUGPJDSVJA-CQSZACIVSA-N 1 0 384.449 -0.383 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763155436 637732365 /nfs/dbraw/zinc/73/23/65/637732365.db2.gz VTFLMUVZCTXHFZ-GFCCVEGCSA-N 1 0 388.412 -0.334 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000763155442 637732441 /nfs/dbraw/zinc/73/24/41/637732441.db2.gz VTFLMUVZCTXHFZ-LBPRGKRZSA-N 1 0 388.412 -0.334 20 0 GBADRO C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763301140 637732650 /nfs/dbraw/zinc/73/26/50/637732650.db2.gz KGDUHDFRRWZNIP-KBPBESRZSA-N 1 0 377.580 -0.632 20 0 GBADRO C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763301144 637732848 /nfs/dbraw/zinc/73/28/48/637732848.db2.gz KGDUHDFRRWZNIP-KGLIPLIRSA-N 1 0 377.580 -0.632 20 0 GBADRO C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763301148 637732995 /nfs/dbraw/zinc/73/29/95/637732995.db2.gz KGDUHDFRRWZNIP-UONOGXRCSA-N 1 0 377.580 -0.632 20 0 GBADRO C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763301153 637732675 /nfs/dbraw/zinc/73/26/75/637732675.db2.gz KGDUHDFRRWZNIP-ZIAGYGMSSA-N 1 0 377.580 -0.632 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764401531 637738311 /nfs/dbraw/zinc/73/83/11/637738311.db2.gz NWRVWUGAYYCHTP-CABCVRRESA-N 1 0 375.539 -0.407 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764401535 637738259 /nfs/dbraw/zinc/73/82/59/637738259.db2.gz NWRVWUGAYYCHTP-GJZGRUSLSA-N 1 0 375.539 -0.407 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764401537 637738499 /nfs/dbraw/zinc/73/84/99/637738499.db2.gz NWRVWUGAYYCHTP-HUUCEWRRSA-N 1 0 375.539 -0.407 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764401539 637738461 /nfs/dbraw/zinc/73/84/61/637738461.db2.gz NWRVWUGAYYCHTP-LSDHHAIUSA-N 1 0 375.539 -0.407 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000764416368 637738209 /nfs/dbraw/zinc/73/82/09/637738209.db2.gz HCIDHDKWGKISST-UHFFFAOYSA-N 1 0 375.539 -0.405 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=S)NCCC[NH+](C)C)CC2)cn1C ZINC000764527416 637739006 /nfs/dbraw/zinc/73/90/06/637739006.db2.gz RRXZSPCOFGRGPK-UHFFFAOYSA-N 1 0 388.563 -0.139 20 0 GBADRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765849925 637744741 /nfs/dbraw/zinc/74/47/41/637744741.db2.gz VEXSTYXSRXFQKG-DOMZBBRYSA-N 1 0 393.531 -0.015 20 0 GBADRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765849926 637744918 /nfs/dbraw/zinc/74/49/18/637744918.db2.gz VEXSTYXSRXFQKG-IUODEOHRSA-N 1 0 393.531 -0.015 20 0 GBADRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765850201 637744869 /nfs/dbraw/zinc/74/48/69/637744869.db2.gz VEXSTYXSRXFQKG-SWLSCSKDSA-N 1 0 393.531 -0.015 20 0 GBADRO C[C@H](NC[C@H](O)C[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765850204 637744974 /nfs/dbraw/zinc/74/49/74/637744974.db2.gz VEXSTYXSRXFQKG-WFASDCNBSA-N 1 0 393.531 -0.015 20 0 GBADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)N1CCC2(CC1)OCCO2 ZINC000766816933 637750093 /nfs/dbraw/zinc/75/00/93/637750093.db2.gz GMHZZINTRCDBEC-HNNXBMFYSA-N 1 0 377.507 -0.103 20 0 GBADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)N1CCC2(CC1)OCCO2 ZINC000766816934 637749872 /nfs/dbraw/zinc/74/98/72/637749872.db2.gz GMHZZINTRCDBEC-OAHLLOKOSA-N 1 0 377.507 -0.103 20 0 GBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766832187 637749924 /nfs/dbraw/zinc/74/99/24/637749924.db2.gz REDSOTROPLYARF-UHFFFAOYSA-N 1 0 376.523 -0.314 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766836800 637750747 /nfs/dbraw/zinc/75/07/47/637750747.db2.gz AAGBYDAWVCQMSB-UHFFFAOYSA-N 1 0 377.507 -0.105 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC1 ZINC000767314974 637754940 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AEWPIKMMOIGRTF-GJZGRUSLSA-N 1 0 379.548 -0.395 20 0 GBADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000767419151 637757456 /nfs/dbraw/zinc/75/74/56/637757456.db2.gz AEWPIKMMOIGRTF-HUUCEWRRSA-N 1 0 379.548 -0.395 20 0 GBADRO C[N@@H+]1CCC[C@H]1CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000767419152 637757578 /nfs/dbraw/zinc/75/75/78/637757578.db2.gz AEWPIKMMOIGRTF-LSDHHAIUSA-N 1 0 379.548 -0.395 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767685884 637759305 /nfs/dbraw/zinc/75/93/05/637759305.db2.gz QHBQSSDMGDCXIA-KBPBESRZSA-N 1 0 378.564 -0.232 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767685902 637759034 /nfs/dbraw/zinc/75/90/34/637759034.db2.gz QHBQSSDMGDCXIA-KGLIPLIRSA-N 1 0 378.564 -0.232 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767685903 637759296 /nfs/dbraw/zinc/75/92/96/637759296.db2.gz QHBQSSDMGDCXIA-UONOGXRCSA-N 1 0 378.564 -0.232 20 0 GBADRO 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377.488 -0.353 20 0 GBADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000774428726 637794320 /nfs/dbraw/zinc/79/43/20/637794320.db2.gz CSZYPJPCMBPZHV-LBPRGKRZSA-N 1 0 377.488 -0.353 20 0 GBADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000774433180 637794362 /nfs/dbraw/zinc/79/43/62/637794362.db2.gz LYYHZYCNIOWKKB-GFCCVEGCSA-N 1 0 377.488 -0.353 20 0 GBADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000774433184 637794532 /nfs/dbraw/zinc/79/45/32/637794532.db2.gz LYYHZYCNIOWKKB-LBPRGKRZSA-N 1 0 377.488 -0.353 20 0 GBADRO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000774441415 637794473 /nfs/dbraw/zinc/79/44/73/637794473.db2.gz ZCVWAEHIHAOWFH-UHFFFAOYSA-N 1 0 376.523 -0.930 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774880826 637796765 /nfs/dbraw/zinc/79/67/65/637796765.db2.gz LBYPZMNQLDIHCI-HNNXBMFYSA-N 1 0 397.563 -0.169 20 0 GBADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774880829 637796610 /nfs/dbraw/zinc/79/66/10/637796610.db2.gz LBYPZMNQLDIHCI-OAHLLOKOSA-N 1 0 397.563 -0.169 20 0 GBADRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000775010432 637798077 /nfs/dbraw/zinc/79/80/77/637798077.db2.gz BDFQSQBALVLWEG-KBPBESRZSA-N 1 0 377.507 -0.011 20 0 GBADRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000775010433 637798188 /nfs/dbraw/zinc/79/81/88/637798188.db2.gz BDFQSQBALVLWEG-KGLIPLIRSA-N 1 0 377.507 -0.011 20 0 GBADRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000775010434 637798273 /nfs/dbraw/zinc/79/82/73/637798273.db2.gz BDFQSQBALVLWEG-UONOGXRCSA-N 1 0 377.507 -0.011 20 0 GBADRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000775010435 637797930 /nfs/dbraw/zinc/79/79/30/637797930.db2.gz BDFQSQBALVLWEG-ZIAGYGMSSA-N 1 0 377.507 -0.011 20 0 GBADRO COC(=O)CCCN1CCC([NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000775627110 637800363 /nfs/dbraw/zinc/80/03/63/637800363.db2.gz LXXUZQBQUBVTBF-UHFFFAOYSA-N 1 0 377.507 -0.344 20 0 GBADRO CCOC(=O)N1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000776688730 637805677 /nfs/dbraw/zinc/80/56/77/637805677.db2.gz KLIQDVKYYSFFCJ-CABCVRRESA-N 1 0 375.491 -0.305 20 0 GBADRO CCOC(=O)N1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000776688731 637805575 /nfs/dbraw/zinc/80/55/75/637805575.db2.gz KLIQDVKYYSFFCJ-GJZGRUSLSA-N 1 0 375.491 -0.305 20 0 GBADRO CCOC(=O)N1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000776688732 637805655 /nfs/dbraw/zinc/80/56/55/637805655.db2.gz KLIQDVKYYSFFCJ-HUUCEWRRSA-N 1 0 375.491 -0.305 20 0 GBADRO CCOC(=O)N1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000776688733 637805724 /nfs/dbraw/zinc/80/57/24/637805724.db2.gz KLIQDVKYYSFFCJ-LSDHHAIUSA-N 1 0 375.491 -0.305 20 0 GBADRO CC[C@@H](C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+](CC)CC ZINC000778122107 637812467 /nfs/dbraw/zinc/81/24/67/637812467.db2.gz ORFYHOOJYNBHAY-NEPJUHHUSA-N 1 0 377.463 -0.337 20 0 GBADRO 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CCNS(=O)(=O)CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814299358 637964516 /nfs/dbraw/zinc/96/45/16/637964516.db2.gz DOSZVISEHYYWHV-UHFFFAOYSA-N 1 0 377.511 -0.783 20 0 GBADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)[C@H]2C1 ZINC000815060624 637966975 /nfs/dbraw/zinc/96/69/75/637966975.db2.gz XITJEJNBUJNKND-LSDHHAIUSA-N 1 0 375.491 -0.135 20 0 GBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000815260302 637967888 /nfs/dbraw/zinc/96/78/88/637967888.db2.gz OSMMNFOCSYRAAZ-HNNXBMFYSA-N 1 0 376.523 -0.139 20 0 GBADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000815260303 637967790 /nfs/dbraw/zinc/96/77/90/637967790.db2.gz OSMMNFOCSYRAAZ-OAHLLOKOSA-N 1 0 376.523 -0.139 20 0 GBADRO C[C@H](CC(=O)NC[C@H]1C[NH2+]CCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012085 637978618 /nfs/dbraw/zinc/97/86/18/637978618.db2.gz RPINUOCEEZZZNH-GHMZBOCLSA-N 1 0 376.866 -0.104 20 0 GBADRO C[C@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012086 637978545 /nfs/dbraw/zinc/97/85/45/637978545.db2.gz RPINUOCEEZZZNH-MNOVXSKESA-N 1 0 376.866 -0.104 20 0 GBADRO C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012087 637978407 /nfs/dbraw/zinc/97/84/07/637978407.db2.gz RPINUOCEEZZZNH-QWRGUYRKSA-N 1 0 376.866 -0.104 20 0 GBADRO C[C@@H](CC(=O)NC[C@H]1C[NH2+]CCO1)NS(=O)(=O)c1cccnc1Cl ZINC000818012088 637978561 /nfs/dbraw/zinc/97/85/61/637978561.db2.gz RPINUOCEEZZZNH-WDEREUQCSA-N 1 0 376.866 -0.104 20 0 GBADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1Cl ZINC000818561913 637982289 /nfs/dbraw/zinc/98/22/89/637982289.db2.gz IMXSIWJBHPZLAE-UHFFFAOYSA-N 1 0 388.877 -0.248 20 0 GBADRO O=C(CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CC[NH2+]CC1 ZINC000818562164 637982357 /nfs/dbraw/zinc/98/23/57/637982357.db2.gz SGNLJJKYCGRIDC-UHFFFAOYSA-N 1 0 375.397 -0.014 20 0 GBADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000818562219 637982313 /nfs/dbraw/zinc/98/23/13/637982313.db2.gz WQZYBQYOOPSLCC-UHFFFAOYSA-N 1 0 375.397 -0.227 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NCC1=CC[NH2+]CC1)c2=O ZINC000818579875 637983051 /nfs/dbraw/zinc/98/30/51/637983051.db2.gz WJKIZZMFVREMHZ-UHFFFAOYSA-N 1 0 381.234 -0.072 20 0 GBADRO CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000818608095 637983220 /nfs/dbraw/zinc/98/32/20/637983220.db2.gz ZTTCWXJGUMGKOD-UHFFFAOYSA-N 1 0 375.472 -0.023 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000818947751 637985331 /nfs/dbraw/zinc/98/53/31/637985331.db2.gz IHKZVRMDVLBCEF-UHFFFAOYSA-N 1 0 384.520 -0.244 20 0 GBADRO CNC(=O)CN1CCC([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000818954617 637985365 /nfs/dbraw/zinc/98/53/65/637985365.db2.gz DTATVVRCPLNNQL-UHFFFAOYSA-N 1 0 377.507 -0.457 20 0 GBADRO CCS(=O)(=O)CC[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000818957795 637985377 /nfs/dbraw/zinc/98/53/77/637985377.db2.gz GDAJKBWXBUPYGQ-UHFFFAOYSA-N 1 0 390.531 -0.442 20 0 GBADRO CS(=O)(=O)CC[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000818958924 637985391 /nfs/dbraw/zinc/98/53/91/637985391.db2.gz ZWNZMGBSMGUQRN-UHFFFAOYSA-N 1 0 376.504 -0.832 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000818976785 637985351 /nfs/dbraw/zinc/98/53/51/637985351.db2.gz OEOUOYYZXZYOBI-GFCCVEGCSA-N 1 0 384.520 -0.244 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000818976788 637985267 /nfs/dbraw/zinc/98/52/67/637985267.db2.gz OEOUOYYZXZYOBI-LBPRGKRZSA-N 1 0 384.520 -0.244 20 0 GBADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000818987920 637985410 /nfs/dbraw/zinc/98/54/10/637985410.db2.gz AZCIDIIMNHXMOK-HNNXBMFYSA-N 1 0 381.495 -0.486 20 0 GBADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000818987924 637985493 /nfs/dbraw/zinc/98/54/93/637985493.db2.gz AZCIDIIMNHXMOK-OAHLLOKOSA-N 1 0 381.495 -0.486 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@H](O)COCc1ccccc1F)N1CCOCC1 ZINC000818988138 637985476 /nfs/dbraw/zinc/98/54/76/637985476.db2.gz DVWAOJQWCGPROI-HNNXBMFYSA-N 1 0 376.450 -0.045 20 0 GBADRO O=S(=O)(CC[NH2+]C[C@@H](O)COCc1ccccc1F)N1CCOCC1 ZINC000818988141 637985427 /nfs/dbraw/zinc/98/54/27/637985427.db2.gz DVWAOJQWCGPROI-OAHLLOKOSA-N 1 0 376.450 -0.045 20 0 GBADRO CCOC(=O)C1CCC(O)(C[NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000818989306 637985236 /nfs/dbraw/zinc/98/52/36/637985236.db2.gz LIGOVYOBPMHIPQ-UHFFFAOYSA-N 1 0 378.491 -0.278 20 0 GBADRO CN(C[C@H](O)C[NH2+]CCS(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000818989360 637985488 /nfs/dbraw/zinc/98/54/88/637985488.db2.gz MCRIAILLVHPEKD-CYBMUJFWSA-N 1 0 381.495 -0.534 20 0 GBADRO CN(C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C ZINC000818989361 637985322 /nfs/dbraw/zinc/98/53/22/637985322.db2.gz MCRIAILLVHPEKD-ZDUSSCGKSA-N 1 0 381.495 -0.534 20 0 GBADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000818990071 637985509 /nfs/dbraw/zinc/98/55/09/637985509.db2.gz YATQWCCWKBRETJ-HNNXBMFYSA-N 1 0 392.499 -0.625 20 0 GBADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000818990077 637985298 /nfs/dbraw/zinc/98/52/98/637985298.db2.gz YATQWCCWKBRETJ-OAHLLOKOSA-N 1 0 392.499 -0.625 20 0 GBADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000818990117 637985986 /nfs/dbraw/zinc/98/59/86/637985986.db2.gz YIXMUIWCZZHYPK-CYBMUJFWSA-N 1 0 381.495 -0.486 20 0 GBADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000818990118 637986073 /nfs/dbraw/zinc/98/60/73/637986073.db2.gz YIXMUIWCZZHYPK-ZDUSSCGKSA-N 1 0 381.495 -0.486 20 0 GBADRO Cn1[n-]c(Br)c2c(=NCCNC[C@@H](O)C[N@H+](C)C3CC3)ncnc1-2 ZINC000819021820 637985812 /nfs/dbraw/zinc/98/58/12/637985812.db2.gz WRFJNPDANOCXKY-LLVKDONJSA-N 1 0 398.309 -0.044 20 0 GBADRO Cn1[n-]c(Br)c2c(=NCCNC[C@H](O)C[N@H+](C)C3CC3)ncnc1-2 ZINC000819021824 637986039 /nfs/dbraw/zinc/98/60/39/637986039.db2.gz WRFJNPDANOCXKY-NSHDSACASA-N 1 0 398.309 -0.044 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[S@](C)=O ZINC000819031455 637985936 /nfs/dbraw/zinc/98/59/36/637985936.db2.gz PFLXGEZDQJNFOG-NRFANRHFSA-N 1 0 382.529 -0.321 20 0 GBADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[S@@](C)=O ZINC000819031456 637986060 /nfs/dbraw/zinc/98/60/60/637986060.db2.gz PFLXGEZDQJNFOG-OAQYLSRUSA-N 1 0 382.529 -0.321 20 0 GBADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)CC1)C(F)(F)F ZINC000819053053 637985920 /nfs/dbraw/zinc/98/59/20/637985920.db2.gz ASHSVENMFUKURG-CYBMUJFWSA-N 1 0 389.440 -0.169 20 0 GBADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)CC1)C(F)(F)F ZINC000819053054 637985860 /nfs/dbraw/zinc/98/58/60/637985860.db2.gz ASHSVENMFUKURG-ZDUSSCGKSA-N 1 0 389.440 -0.169 20 0 GBADRO CC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C(=O)N1CCOCC1 ZINC000819141366 637987333 /nfs/dbraw/zinc/98/73/33/637987333.db2.gz VOQXBQGXPYGRNE-CYBMUJFWSA-N 1 0 378.491 -0.030 20 0 GBADRO CC[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C(=O)N1CCOCC1 ZINC000819141370 637987245 /nfs/dbraw/zinc/98/72/45/637987245.db2.gz VOQXBQGXPYGRNE-ZDUSSCGKSA-N 1 0 378.491 -0.030 20 0 GBADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1)C(F)(F)F ZINC000819150055 637987193 /nfs/dbraw/zinc/98/71/93/637987193.db2.gz OOJPYLVSWKVSDD-GFCCVEGCSA-N 1 0 375.413 -0.417 20 0 GBADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1)C(F)(F)F ZINC000819150056 637987283 /nfs/dbraw/zinc/98/72/83/637987283.db2.gz OOJPYLVSWKVSDD-LBPRGKRZSA-N 1 0 375.413 -0.417 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000819187240 637987976 /nfs/dbraw/zinc/98/79/76/637987976.db2.gz FBMJXQGVTKHRBG-GFCCVEGCSA-N 1 0 384.520 -0.386 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000819187241 637988147 /nfs/dbraw/zinc/98/81/47/637988147.db2.gz FBMJXQGVTKHRBG-LBPRGKRZSA-N 1 0 384.520 -0.386 20 0 GBADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000819190711 637988079 /nfs/dbraw/zinc/98/80/79/637988079.db2.gz RVUYUNITSOTAHR-GFCCVEGCSA-N 1 0 384.520 -0.244 20 0 GBADRO CS(=O)(=O)N(c1ccc(OCC[NH2+]CCC(N)=O)cc1)S(C)(=O)=O ZINC000819204611 637987944 /nfs/dbraw/zinc/98/79/44/637987944.db2.gz DMEIZBYELIQZNU-UHFFFAOYSA-N 1 0 379.460 -0.744 20 0 GBADRO COC[C@H](O)C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000819205082 637988122 /nfs/dbraw/zinc/98/81/22/637988122.db2.gz HLLVLTQMVJMRIO-CYBMUJFWSA-N 1 0 396.487 -0.612 20 0 GBADRO COC[C@@H](O)C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000819205084 637987930 /nfs/dbraw/zinc/98/79/30/637987930.db2.gz HLLVLTQMVJMRIO-ZDUSSCGKSA-N 1 0 396.487 -0.612 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208836 637988104 /nfs/dbraw/zinc/98/81/04/637988104.db2.gz RUAHXVUICAZSED-CHWSQXEVSA-N 1 0 378.491 -0.032 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208837 637987766 /nfs/dbraw/zinc/98/77/66/637987766.db2.gz RUAHXVUICAZSED-OLZOCXBDSA-N 1 0 378.491 -0.032 20 0 GBADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208838 637988127 /nfs/dbraw/zinc/98/81/27/637988127.db2.gz RUAHXVUICAZSED-QWHCGFSZSA-N 1 0 378.491 -0.032 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)O1 ZINC000819208839 637988013 /nfs/dbraw/zinc/98/80/13/637988013.db2.gz RUAHXVUICAZSED-STQMWFEESA-N 1 0 378.491 -0.032 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819264059 637988113 /nfs/dbraw/zinc/98/81/13/637988113.db2.gz JRKKEKXTRDDAAK-AWEZNQCLSA-N 1 0 379.504 -0.455 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819264060 637987802 /nfs/dbraw/zinc/98/78/02/637987802.db2.gz JRKKEKXTRDDAAK-CQSZACIVSA-N 1 0 379.504 -0.455 20 0 GBADRO COC(=O)NCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000819354239 637987886 /nfs/dbraw/zinc/98/78/86/637987886.db2.gz FDTWNPORNPYNNP-UHFFFAOYSA-N 1 0 393.487 -0.344 20 0 GBADRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857049 606699143 /nfs/dbraw/zinc/69/91/43/606699143.db2.gz OITVPHJFKNLWKM-GHMZBOCLSA-N 1 0 377.453 -0.280 20 0 GBADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857050 606699678 /nfs/dbraw/zinc/69/96/78/606699678.db2.gz OITVPHJFKNLWKM-MNOVXSKESA-N 1 0 377.453 -0.280 20 0 GBADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857051 606699154 /nfs/dbraw/zinc/69/91/54/606699154.db2.gz OITVPHJFKNLWKM-QWRGUYRKSA-N 1 0 377.453 -0.280 20 0 GBADRO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857053 606699455 /nfs/dbraw/zinc/69/94/55/606699455.db2.gz OITVPHJFKNLWKM-WDEREUQCSA-N 1 0 377.453 -0.280 20 0 GBADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000819877528 607361620 /nfs/dbraw/zinc/36/16/20/607361620.db2.gz XWFKWUJIIYLWQZ-CYBMUJFWSA-N 1 0 386.460 -0.101 20 0 GBADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000819877529 607361761 /nfs/dbraw/zinc/36/17/61/607361761.db2.gz XWFKWUJIIYLWQZ-ZDUSSCGKSA-N 1 0 386.460 -0.101 20 0 GBADRO CC(C)(CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819987656 606219291 /nfs/dbraw/zinc/21/92/91/606219291.db2.gz FCHNYESWSHIDFA-UHFFFAOYSA-N 1 0 381.462 -0.593 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC000819991349 607143455 /nfs/dbraw/zinc/14/34/55/607143455.db2.gz FQBXKYKJUWSUIT-UHFFFAOYSA-N 1 0 389.464 -0.228 20 0 GBADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000819991850 607143492 /nfs/dbraw/zinc/14/34/92/607143492.db2.gz MPTJWSRUVRZXOS-UHFFFAOYSA-N 1 0 389.464 -0.228 20 0 GBADRO CC(C)(O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819992505 599518148 /nfs/dbraw/zinc/51/81/48/599518148.db2.gz ZXZOBSUZNHTIBD-UHFFFAOYSA-N 1 0 381.462 -0.593 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820092822 606230434 /nfs/dbraw/zinc/23/04/34/606230434.db2.gz QCNZCDIIZOXFOO-CYBMUJFWSA-N 1 0 391.432 -0.175 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820092823 606230033 /nfs/dbraw/zinc/23/00/33/606230033.db2.gz QCNZCDIIZOXFOO-ZDUSSCGKSA-N 1 0 391.432 -0.175 20 0 GBADRO CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820097379 606699227 /nfs/dbraw/zinc/69/92/27/606699227.db2.gz NYOQTJFKEIPFSO-UHFFFAOYSA-N 1 0 378.441 -0.482 20 0 GBADRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820134205 606701503 /nfs/dbraw/zinc/70/15/03/606701503.db2.gz WYLLFXCKSSIGSG-SECBINFHSA-N 1 0 378.441 -0.341 20 0 GBADRO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820134206 606701645 /nfs/dbraw/zinc/70/16/45/606701645.db2.gz WYLLFXCKSSIGSG-VIFPVBQESA-N 1 0 378.441 -0.341 20 0 GBADRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820154856 607434219 /nfs/dbraw/zinc/43/42/19/607434219.db2.gz AEMMYNCDAODHHB-GFCCVEGCSA-N 1 0 391.432 -0.369 20 0 GBADRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820154857 607433699 /nfs/dbraw/zinc/43/36/99/607433699.db2.gz AEMMYNCDAODHHB-LBPRGKRZSA-N 1 0 391.432 -0.369 20 0 GBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820242239 607027011 /nfs/dbraw/zinc/02/70/11/607027011.db2.gz LZNFFQIRKILVPS-NEPJUHHUSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242241 607027044 /nfs/dbraw/zinc/02/70/44/607027044.db2.gz LZNFFQIRKILVPS-NWDGAFQWSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820242242 607027144 /nfs/dbraw/zinc/02/71/44/607027144.db2.gz LZNFFQIRKILVPS-RYUDHWBXSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820242243 607027357 /nfs/dbraw/zinc/02/73/57/607027357.db2.gz LZNFFQIRKILVPS-VXGBXAGGSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820242697 607027220 /nfs/dbraw/zinc/02/72/20/607027220.db2.gz PPDNZJUSFFFORN-NEPJUHHUSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000820242698 607026896 /nfs/dbraw/zinc/02/68/96/607026896.db2.gz PPDNZJUSFFFORN-NWDGAFQWSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820242699 607027428 /nfs/dbraw/zinc/02/74/28/607027428.db2.gz PPDNZJUSFFFORN-RYUDHWBXSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820242700 607027281 /nfs/dbraw/zinc/02/72/81/607027281.db2.gz PPDNZJUSFFFORN-VXGBXAGGSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820259642 607342761 /nfs/dbraw/zinc/34/27/61/607342761.db2.gz APITZZAIOIRTTM-LLVKDONJSA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820259644 607342677 /nfs/dbraw/zinc/34/26/77/607342677.db2.gz APITZZAIOIRTTM-NSHDSACASA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820261760 606837222 /nfs/dbraw/zinc/83/72/22/606837222.db2.gz PRJYJEMZSCPXTM-LLVKDONJSA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820261761 606837502 /nfs/dbraw/zinc/83/75/02/606837502.db2.gz PRJYJEMZSCPXTM-NSHDSACASA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820262484 606309259 /nfs/dbraw/zinc/30/92/59/606309259.db2.gz WWVUWSYRNFMRKO-CYBMUJFWSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820262485 606309408 /nfs/dbraw/zinc/30/94/08/606309408.db2.gz WWVUWSYRNFMRKO-ZDUSSCGKSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820262737 606174173 /nfs/dbraw/zinc/17/41/73/606174173.db2.gz YRMFQEUOJHXRRB-LLVKDONJSA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820262739 606174333 /nfs/dbraw/zinc/17/43/33/606174333.db2.gz YRMFQEUOJHXRRB-NSHDSACASA-N 1 0 390.423 -0.304 20 0 GBADRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000820262742 599541697 /nfs/dbraw/zinc/54/16/97/599541697.db2.gz YRTYKKVOMVEILL-LLVKDONJSA-N 1 0 380.478 -0.438 20 0 GBADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000820262744 599542222 /nfs/dbraw/zinc/54/22/22/599542222.db2.gz YRTYKKVOMVEILL-NSHDSACASA-N 1 0 380.478 -0.438 20 0 GBADRO C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)[NH+](C)C ZINC000820262817 606605026 /nfs/dbraw/zinc/60/50/26/606605026.db2.gz ZPSSQQFPKXHSQY-LLVKDONJSA-N 1 0 398.431 -0.489 20 0 GBADRO C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)[NH+](C)C ZINC000820262818 606604716 /nfs/dbraw/zinc/60/47/16/606604716.db2.gz ZPSSQQFPKXHSQY-NSHDSACASA-N 1 0 398.431 -0.489 20 0 GBADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)CN1CC[NH+](C)CC1 ZINC000820276207 599353764 /nfs/dbraw/zinc/35/37/64/599353764.db2.gz URGHADNWTTWENF-GFCCVEGCSA-N 1 0 380.478 -0.577 20 0 GBADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)CN1CC[NH+](C)CC1 ZINC000820276208 599353706 /nfs/dbraw/zinc/35/37/06/599353706.db2.gz URGHADNWTTWENF-LBPRGKRZSA-N 1 0 380.478 -0.577 20 0 GBADRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000820276371 606307807 /nfs/dbraw/zinc/30/78/07/606307807.db2.gz WBXCIVPPLJDRDV-CYBMUJFWSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000820276372 606307729 /nfs/dbraw/zinc/30/77/29/606307729.db2.gz WBXCIVPPLJDRDV-ZDUSSCGKSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000820280603 599565998 /nfs/dbraw/zinc/56/59/98/599565998.db2.gz KIPZCYLDBYIEHA-LLVKDONJSA-N 1 0 381.462 -0.106 20 0 GBADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000820280604 599565838 /nfs/dbraw/zinc/56/58/38/599565838.db2.gz KIPZCYLDBYIEHA-NSHDSACASA-N 1 0 381.462 -0.106 20 0 GBADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000820281801 599518235 /nfs/dbraw/zinc/51/82/35/599518235.db2.gz YAPXVIBHAHJCRA-LLVKDONJSA-N 1 0 380.478 -0.438 20 0 GBADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000820281802 599518072 /nfs/dbraw/zinc/51/80/72/599518072.db2.gz YAPXVIBHAHJCRA-NSHDSACASA-N 1 0 380.478 -0.438 20 0 GBADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000820412972 599391265 /nfs/dbraw/zinc/39/12/65/599391265.db2.gz NTCDLEJLRCPJQP-NXEZZACHSA-N 1 0 398.427 -0.232 20 0 GBADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000820412973 599391222 /nfs/dbraw/zinc/39/12/22/599391222.db2.gz NTCDLEJLRCPJQP-UWVGGRQHSA-N 1 0 398.427 -0.232 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000820412974 599391318 /nfs/dbraw/zinc/39/13/18/599391318.db2.gz NTCDLEJLRCPJQP-VHSXEESVSA-N 1 0 398.427 -0.232 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820412975 599391198 /nfs/dbraw/zinc/39/11/98/599391198.db2.gz NTCDLEJLRCPJQP-ZJUUUORDSA-N 1 0 398.427 -0.232 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437650 945449290 /nfs/dbraw/zinc/44/92/90/945449290.db2.gz AZDZJTYEOVRJPJ-AAEUAGOBSA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437652 945449227 /nfs/dbraw/zinc/44/92/27/945449227.db2.gz AZDZJTYEOVRJPJ-DGCLKSJQSA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820437655 945449023 /nfs/dbraw/zinc/44/90/23/945449023.db2.gz AZDZJTYEOVRJPJ-WCQYABFASA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820437657 945449157 /nfs/dbraw/zinc/44/91/57/945449157.db2.gz AZDZJTYEOVRJPJ-YPMHNXCESA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000820437752 607052050 /nfs/dbraw/zinc/05/20/50/607052050.db2.gz BVDIUTZULBYPAC-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000820437753 607052221 /nfs/dbraw/zinc/05/22/21/607052221.db2.gz BVDIUTZULBYPAC-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820438108 607022566 /nfs/dbraw/zinc/02/25/66/607022566.db2.gz ITXBYHWBBMCUED-AAEUAGOBSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820438109 607022359 /nfs/dbraw/zinc/02/23/59/607022359.db2.gz ITXBYHWBBMCUED-DGCLKSJQSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820438110 607022437 /nfs/dbraw/zinc/02/24/37/607022437.db2.gz ITXBYHWBBMCUED-WCQYABFASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820438111 607022440 /nfs/dbraw/zinc/02/24/40/607022440.db2.gz ITXBYHWBBMCUED-YPMHNXCESA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000820438128 606983272 /nfs/dbraw/zinc/98/32/72/606983272.db2.gz JAQSEUSIUVVBGD-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000820438129 606983506 /nfs/dbraw/zinc/98/35/06/606983506.db2.gz JAQSEUSIUVVBGD-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000820438168 606993317 /nfs/dbraw/zinc/99/33/17/606993317.db2.gz JQWLCDGNIZUFOF-GHMZBOCLSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC000820438169 606993312 /nfs/dbraw/zinc/99/33/12/606993312.db2.gz JQWLCDGNIZUFOF-MNOVXSKESA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820438170 606993245 /nfs/dbraw/zinc/99/32/45/606993245.db2.gz JQWLCDGNIZUFOF-QWRGUYRKSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820438171 606993503 /nfs/dbraw/zinc/99/35/03/606993503.db2.gz JQWLCDGNIZUFOF-WDEREUQCSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438764 606981903 /nfs/dbraw/zinc/98/19/03/606981903.db2.gz WJJHELLVAKUAOL-LLVKDONJSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820438765 606981650 /nfs/dbraw/zinc/98/16/50/606981650.db2.gz WJJHELLVAKUAOL-NSHDSACASA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)CC[NH+](C)C ZINC000820438826 607052417 /nfs/dbraw/zinc/05/24/17/607052417.db2.gz XKWUFSYJPMAXKZ-LLVKDONJSA-N 1 0 381.462 -0.447 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)CC[NH+](C)C ZINC000820438827 607052482 /nfs/dbraw/zinc/05/24/82/607052482.db2.gz XKWUFSYJPMAXKZ-NSHDSACASA-N 1 0 381.462 -0.447 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000820438878 606978684 /nfs/dbraw/zinc/97/86/84/606978684.db2.gz YNLZCEVCLHNPQJ-GFCCVEGCSA-N 1 0 393.473 -0.302 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000820438879 606978629 /nfs/dbraw/zinc/97/86/29/606978629.db2.gz YNLZCEVCLHNPQJ-LBPRGKRZSA-N 1 0 393.473 -0.302 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444045 945451325 /nfs/dbraw/zinc/45/13/25/945451325.db2.gz DWOFGOPQCKSEDJ-AAEUAGOBSA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444046 945451030 /nfs/dbraw/zinc/45/10/30/945451030.db2.gz DWOFGOPQCKSEDJ-DGCLKSJQSA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820444047 945450785 /nfs/dbraw/zinc/45/07/85/945450785.db2.gz DWOFGOPQCKSEDJ-WCQYABFASA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820444048 945450703 /nfs/dbraw/zinc/45/07/03/945450703.db2.gz DWOFGOPQCKSEDJ-YPMHNXCESA-N 1 0 393.473 -0.304 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC000820444137 606978341 /nfs/dbraw/zinc/97/83/41/606978341.db2.gz GXMSPWURMYVIDE-GFCCVEGCSA-N 1 0 393.473 -0.302 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC000820444138 606979580 /nfs/dbraw/zinc/97/95/80/606979580.db2.gz GXMSPWURMYVIDE-LBPRGKRZSA-N 1 0 393.473 -0.302 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820444181 607027293 /nfs/dbraw/zinc/02/72/93/607027293.db2.gz HLACHLDMDLDPLW-AAEUAGOBSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820444182 607027157 /nfs/dbraw/zinc/02/71/57/607027157.db2.gz HLACHLDMDLDPLW-DGCLKSJQSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820444184 607027094 /nfs/dbraw/zinc/02/70/94/607027094.db2.gz HLACHLDMDLDPLW-WCQYABFASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820444186 607027384 /nfs/dbraw/zinc/02/73/84/607027384.db2.gz HLACHLDMDLDPLW-YPMHNXCESA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820444518 607002116 /nfs/dbraw/zinc/00/21/16/607002116.db2.gz KAGJMBNSJFVYCH-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820444520 607002142 /nfs/dbraw/zinc/00/21/42/607002142.db2.gz KAGJMBNSJFVYCH-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820444695 607027016 /nfs/dbraw/zinc/02/70/16/607027016.db2.gz LHBKVLRXOVKNGH-GFCCVEGCSA-N 1 0 395.489 -0.010 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820444696 607027208 /nfs/dbraw/zinc/02/72/08/607027208.db2.gz LHBKVLRXOVKNGH-LBPRGKRZSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000820445105 607051974 /nfs/dbraw/zinc/05/19/74/607051974.db2.gz NLZYINAETKYTGT-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000820445107 607052072 /nfs/dbraw/zinc/05/20/72/607052072.db2.gz NLZYINAETKYTGT-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445895 945451361 /nfs/dbraw/zinc/45/13/61/945451361.db2.gz RLQJVDMMPNPGKF-NEPJUHHUSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445905 945450677 /nfs/dbraw/zinc/45/06/77/945450677.db2.gz RLQJVDMMPNPGKF-NWDGAFQWSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820445908 945450845 /nfs/dbraw/zinc/45/08/45/945450845.db2.gz RLQJVDMMPNPGKF-RYUDHWBXSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820445910 945450419 /nfs/dbraw/zinc/45/04/19/945450419.db2.gz RLQJVDMMPNPGKF-VXGBXAGGSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446020 606976397 /nfs/dbraw/zinc/97/63/97/606976397.db2.gz TTWVKNSFEVZXPV-LLVKDONJSA-N 1 0 381.462 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC[NH+](C)C ZINC000820446022 606976427 /nfs/dbraw/zinc/97/64/27/606976427.db2.gz TTWVKNSFEVZXPV-NSHDSACASA-N 1 0 381.462 -0.399 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCCC1 ZINC000820446393 606985371 /nfs/dbraw/zinc/98/53/71/606985371.db2.gz WAQJXFXWBPGLJO-GFCCVEGCSA-N 1 0 393.473 -0.255 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCCC1 ZINC000820446395 606985198 /nfs/dbraw/zinc/98/51/98/606985198.db2.gz WAQJXFXWBPGLJO-LBPRGKRZSA-N 1 0 393.473 -0.255 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447273 607027470 /nfs/dbraw/zinc/02/74/70/607027470.db2.gz YSXNIMUCKJWSIU-GFCCVEGCSA-N 1 0 395.489 -0.009 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC[NH+](C)C ZINC000820447373 607026890 /nfs/dbraw/zinc/02/68/90/607026890.db2.gz YSXNIMUCKJWSIU-LBPRGKRZSA-N 1 0 395.489 -0.009 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)CC[NH+](C)C ZINC000820447438 607052522 /nfs/dbraw/zinc/05/25/22/607052522.db2.gz YXNACPQGXOWXJV-LLVKDONJSA-N 1 0 381.462 -0.447 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)CC[NH+](C)C ZINC000820447441 607053054 /nfs/dbraw/zinc/05/30/54/607053054.db2.gz YXNACPQGXOWXJV-NSHDSACASA-N 1 0 381.462 -0.447 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449910 606981664 /nfs/dbraw/zinc/98/16/64/606981664.db2.gz DOSQTOJOIZDIHK-LLVKDONJSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC(C)(C)[NH+](C)C ZINC000820449913 606981767 /nfs/dbraw/zinc/98/17/67/606981767.db2.gz DOSQTOJOIZDIHK-NSHDSACASA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[NH+]1CCCC1 ZINC000820449953 606985134 /nfs/dbraw/zinc/98/51/34/606985134.db2.gz FMPBQAVXIWLRJR-GFCCVEGCSA-N 1 0 393.473 -0.255 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[NH+]1CCCC1 ZINC000820449954 606985102 /nfs/dbraw/zinc/98/51/02/606985102.db2.gz FMPBQAVXIWLRJR-LBPRGKRZSA-N 1 0 393.473 -0.255 20 0 GBADRO C[C@@H](NS(C)(=O)=O)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820450307 599697760 /nfs/dbraw/zinc/69/77/60/599697760.db2.gz JLEGKRAOODNWCR-GFCCVEGCSA-N 1 0 395.489 -0.305 20 0 GBADRO C[C@H](NS(C)(=O)=O)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820450308 599697833 /nfs/dbraw/zinc/69/78/33/599697833.db2.gz JLEGKRAOODNWCR-LBPRGKRZSA-N 1 0 395.489 -0.305 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450615 607027392 /nfs/dbraw/zinc/02/73/92/607027392.db2.gz NRTWOOCQNNHUNO-GFCCVEGCSA-N 1 0 395.489 -0.009 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCCC[NH+](C)C ZINC000820450617 607027338 /nfs/dbraw/zinc/02/73/38/607027338.db2.gz NRTWOOCQNNHUNO-LBPRGKRZSA-N 1 0 395.489 -0.009 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820450623 607002037 /nfs/dbraw/zinc/00/20/37/607002037.db2.gz NSLKWOFDGKYRNT-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000820450625 607001968 /nfs/dbraw/zinc/00/19/68/607001968.db2.gz NSLKWOFDGKYRNT-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820450698 607022328 /nfs/dbraw/zinc/02/23/28/607022328.db2.gz OVFVFIICYGHXRD-AAEUAGOBSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820450699 607022639 /nfs/dbraw/zinc/02/26/39/607022639.db2.gz OVFVFIICYGHXRD-DGCLKSJQSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820450700 607022643 /nfs/dbraw/zinc/02/26/43/607022643.db2.gz OVFVFIICYGHXRD-WCQYABFASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820450701 607022675 /nfs/dbraw/zinc/02/26/75/607022675.db2.gz OVFVFIICYGHXRD-YPMHNXCESA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000820451060 606993392 /nfs/dbraw/zinc/99/33/92/606993392.db2.gz SBAFFKDHKXZFPW-GHMZBOCLSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC000820451061 606993288 /nfs/dbraw/zinc/99/32/88/606993288.db2.gz SBAFFKDHKXZFPW-MNOVXSKESA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820451062 606993557 /nfs/dbraw/zinc/99/35/57/606993557.db2.gz SBAFFKDHKXZFPW-QWRGUYRKSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000820451063 606993526 /nfs/dbraw/zinc/99/35/26/606993526.db2.gz SBAFFKDHKXZFPW-WDEREUQCSA-N 1 0 381.462 -0.400 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCC[NH+](C)C ZINC000820451247 606976415 /nfs/dbraw/zinc/97/64/15/606976415.db2.gz TYCHPMAJDSHJLF-LLVKDONJSA-N 1 0 381.462 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCC[NH+](C)C ZINC000820451249 606976504 /nfs/dbraw/zinc/97/65/04/606976504.db2.gz TYCHPMAJDSHJLF-NSHDSACASA-N 1 0 381.462 -0.399 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451408 945453353 /nfs/dbraw/zinc/45/33/53/945453353.db2.gz VJWVRKVEJDWTMD-NEPJUHHUSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451410 945453063 /nfs/dbraw/zinc/45/30/63/945453063.db2.gz VJWVRKVEJDWTMD-NWDGAFQWSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000820451412 945453329 /nfs/dbraw/zinc/45/33/29/945453329.db2.gz VJWVRKVEJDWTMD-RYUDHWBXSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000820451413 945455871 /nfs/dbraw/zinc/45/58/71/945455871.db2.gz VJWVRKVEJDWTMD-VXGBXAGGSA-N 1 0 393.473 -0.399 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820451799 607026914 /nfs/dbraw/zinc/02/69/14/607026914.db2.gz XBBJYQSYOLJHMF-AAEUAGOBSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820451802 607027242 /nfs/dbraw/zinc/02/72/42/607027242.db2.gz XBBJYQSYOLJHMF-DGCLKSJQSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820451804 607027161 /nfs/dbraw/zinc/02/71/61/607027161.db2.gz XBBJYQSYOLJHMF-WCQYABFASA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820451806 607027482 /nfs/dbraw/zinc/02/74/82/607027482.db2.gz XBBJYQSYOLJHMF-YPMHNXCESA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000820452076 606984013 /nfs/dbraw/zinc/98/40/13/606984013.db2.gz YXZOLBJIJSRKGH-LLVKDONJSA-N 1 0 393.473 -0.256 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000820452077 606984150 /nfs/dbraw/zinc/98/41/50/606984150.db2.gz YXZOLBJIJSRKGH-NSHDSACASA-N 1 0 393.473 -0.256 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820452112 607027486 /nfs/dbraw/zinc/02/74/86/607027486.db2.gz ZVHOAEIEQSWCCD-GFCCVEGCSA-N 1 0 395.489 -0.010 20 0 GBADRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820452114 607026948 /nfs/dbraw/zinc/02/69/48/607026948.db2.gz ZVHOAEIEQSWCCD-LBPRGKRZSA-N 1 0 395.489 -0.010 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000820480526 606285453 /nfs/dbraw/zinc/28/54/53/606285453.db2.gz LNHCVGAWAUGCAG-CHWSQXEVSA-N 1 0 387.444 -0.490 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000820480527 606285631 /nfs/dbraw/zinc/28/56/31/606285631.db2.gz LNHCVGAWAUGCAG-OLZOCXBDSA-N 1 0 387.444 -0.490 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000820480528 606285245 /nfs/dbraw/zinc/28/52/45/606285245.db2.gz LNHCVGAWAUGCAG-QWHCGFSZSA-N 1 0 387.444 -0.490 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000820480529 606285662 /nfs/dbraw/zinc/28/56/62/606285662.db2.gz LNHCVGAWAUGCAG-STQMWFEESA-N 1 0 387.444 -0.490 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480933 599530525 /nfs/dbraw/zinc/53/05/25/599530525.db2.gz QUOPCLLXHCBVCC-GHMZBOCLSA-N 1 0 381.462 -0.595 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480936 599531039 /nfs/dbraw/zinc/53/10/39/599531039.db2.gz QUOPCLLXHCBVCC-MNOVXSKESA-N 1 0 381.462 -0.595 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480938 599530894 /nfs/dbraw/zinc/53/08/94/599530894.db2.gz QUOPCLLXHCBVCC-QWRGUYRKSA-N 1 0 381.462 -0.595 20 0 GBADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480940 599530810 /nfs/dbraw/zinc/53/08/10/599530810.db2.gz QUOPCLLXHCBVCC-WDEREUQCSA-N 1 0 381.462 -0.595 20 0 GBADRO CC1(C)CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[NH2+]1 ZINC000820601307 945497204 /nfs/dbraw/zinc/49/72/04/945497204.db2.gz HYQIKGDOTLJEQN-UHFFFAOYSA-N 1 0 378.458 -0.008 20 0 GBADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659486 599462969 /nfs/dbraw/zinc/46/29/69/599462969.db2.gz YDFCWOUNUFTCOR-GYSYKLTISA-N 1 0 397.447 -0.378 20 0 GBADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659487 599463004 /nfs/dbraw/zinc/46/30/04/599463004.db2.gz YDFCWOUNUFTCOR-JTNHKYCSSA-N 1 0 397.447 -0.378 20 0 GBADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659488 599463098 /nfs/dbraw/zinc/46/30/98/599463098.db2.gz YDFCWOUNUFTCOR-SUNKGSAMSA-N 1 0 397.447 -0.378 20 0 GBADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(=O)N1c1cnn(C)c1 ZINC000820659489 599463121 /nfs/dbraw/zinc/46/31/21/599463121.db2.gz YDFCWOUNUFTCOR-UHIISALHSA-N 1 0 397.447 -0.378 20 0 GBADRO C[C@@H]1CN(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820736473 606701817 /nfs/dbraw/zinc/70/18/17/606701817.db2.gz ZYTFISIAPJTSQX-GHMZBOCLSA-N 1 0 377.453 -0.328 20 0 GBADRO C[C@@H]1CN(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820736474 606701757 /nfs/dbraw/zinc/70/17/57/606701757.db2.gz ZYTFISIAPJTSQX-PHIMTYICSA-N 1 0 377.453 -0.328 20 0 GBADRO C[C@H]1CN(C(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820736475 606701435 /nfs/dbraw/zinc/70/14/35/606701435.db2.gz ZYTFISIAPJTSQX-QWRGUYRKSA-N 1 0 377.453 -0.328 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000820788259 606777559 /nfs/dbraw/zinc/77/75/59/606777559.db2.gz BTGYKXIIKMDOCG-CYBMUJFWSA-N 1 0 387.448 -0.584 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000820788260 606777460 /nfs/dbraw/zinc/77/74/60/606777460.db2.gz BTGYKXIIKMDOCG-ZDUSSCGKSA-N 1 0 387.448 -0.584 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=S)NCC[NH+](C)C ZINC000820788269 606764891 /nfs/dbraw/zinc/76/48/91/606764891.db2.gz BXFMJLJKEFRZLO-LLVKDONJSA-N 1 0 376.494 -0.397 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=S)NCC[NH+](C)C ZINC000820788270 606764862 /nfs/dbraw/zinc/76/48/62/606764862.db2.gz BXFMJLJKEFRZLO-NSHDSACASA-N 1 0 376.494 -0.397 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000820788401 606795627 /nfs/dbraw/zinc/79/56/27/606795627.db2.gz GIBMZVWACLSNAR-GFCCVEGCSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000820788402 606795322 /nfs/dbraw/zinc/79/53/22/606795322.db2.gz GIBMZVWACLSNAR-LBPRGKRZSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000820788877 606794246 /nfs/dbraw/zinc/79/42/46/606794246.db2.gz QECPEOJDEFPPFK-GFCCVEGCSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000820788878 606794341 /nfs/dbraw/zinc/79/43/41/606794341.db2.gz QECPEOJDEFPPFK-LBPRGKRZSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820788931 606794050 /nfs/dbraw/zinc/79/40/50/606794050.db2.gz RLNYRIOXUGQMQG-CHWSQXEVSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820788932 606795424 /nfs/dbraw/zinc/79/54/24/606795424.db2.gz RLNYRIOXUGQMQG-OLZOCXBDSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000820788933 606795334 /nfs/dbraw/zinc/79/53/34/606795334.db2.gz RLNYRIOXUGQMQG-QWHCGFSZSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000820788934 606795684 /nfs/dbraw/zinc/79/56/84/606795684.db2.gz RLNYRIOXUGQMQG-STQMWFEESA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=S)NCCC[NH+](C)C ZINC000820789179 606764845 /nfs/dbraw/zinc/76/48/45/606764845.db2.gz XBOVIOOZZNTAGR-GFCCVEGCSA-N 1 0 390.521 -0.007 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=S)NCCC[NH+](C)C ZINC000820789180 606764788 /nfs/dbraw/zinc/76/47/88/606764788.db2.gz XBOVIOOZZNTAGR-LBPRGKRZSA-N 1 0 390.521 -0.007 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000820789237 606782620 /nfs/dbraw/zinc/78/26/20/606782620.db2.gz YOEZVJCRSIQYRJ-LLVKDONJSA-N 1 0 386.420 -0.891 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000820789238 606781881 /nfs/dbraw/zinc/78/18/81/606781881.db2.gz YOEZVJCRSIQYRJ-NSHDSACASA-N 1 0 386.420 -0.891 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820789249 606793954 /nfs/dbraw/zinc/79/39/54/606793954.db2.gz YTOPFLRQNSICJV-CHWSQXEVSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820789250 606794473 /nfs/dbraw/zinc/79/44/73/606794473.db2.gz YTOPFLRQNSICJV-OLZOCXBDSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000820789251 606794210 /nfs/dbraw/zinc/79/42/10/606794210.db2.gz YTOPFLRQNSICJV-QWHCGFSZSA-N 1 0 386.464 -0.029 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000820789252 606793943 /nfs/dbraw/zinc/79/39/43/606793943.db2.gz YTOPFLRQNSICJV-STQMWFEESA-N 1 0 386.464 -0.029 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790347 637996831 /nfs/dbraw/zinc/99/68/31/637996831.db2.gz GRINVNVFAVJFJD-HNNXBMFYSA-N 1 0 398.595 -0.445 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790348 637996958 /nfs/dbraw/zinc/99/69/58/637996958.db2.gz GRINVNVFAVJFJD-OAHLLOKOSA-N 1 0 398.595 -0.445 20 0 GBADRO CC(C)[C@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000820793070 637997634 /nfs/dbraw/zinc/99/76/34/637997634.db2.gz PMRBMYBEIONDGW-AWEZNQCLSA-N 1 0 384.568 -0.931 20 0 GBADRO CC(C)[C@@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000820793071 637997570 /nfs/dbraw/zinc/99/75/70/637997570.db2.gz PMRBMYBEIONDGW-CQSZACIVSA-N 1 0 384.568 -0.931 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820908652 599585842 /nfs/dbraw/zinc/58/58/42/599585842.db2.gz OFOMZXYCYUNEMX-CVEARBPZSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820908654 599586385 /nfs/dbraw/zinc/58/63/85/599586385.db2.gz OFOMZXYCYUNEMX-HOTGVXAUSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820908655 599586071 /nfs/dbraw/zinc/58/60/71/599586071.db2.gz OFOMZXYCYUNEMX-HZPDHXFCSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820908656 599585769 /nfs/dbraw/zinc/58/57/69/599585769.db2.gz OFOMZXYCYUNEMX-JKSUJKDBSA-N 1 0 376.461 -0.005 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000820908673 599087151 /nfs/dbraw/zinc/08/71/51/599087151.db2.gz OPZOHYCHAMAMGZ-LLVKDONJSA-N 1 0 381.462 -0.593 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000820908675 599087263 /nfs/dbraw/zinc/08/72/63/599087263.db2.gz OPZOHYCHAMAMGZ-NSHDSACASA-N 1 0 381.462 -0.593 20 0 GBADRO CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925546 606473659 /nfs/dbraw/zinc/47/36/59/606473659.db2.gz JRUWSGIIHFDVJV-AAEUAGOBSA-N 1 0 375.437 -0.668 20 0 GBADRO CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925549 606474038 /nfs/dbraw/zinc/47/40/38/606474038.db2.gz JRUWSGIIHFDVJV-DGCLKSJQSA-N 1 0 375.437 -0.668 20 0 GBADRO CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925550 606474001 /nfs/dbraw/zinc/47/40/01/606474001.db2.gz JRUWSGIIHFDVJV-WCQYABFASA-N 1 0 375.437 -0.668 20 0 GBADRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)N1CCOCC1 ZINC000820925551 606474068 /nfs/dbraw/zinc/47/40/68/606474068.db2.gz JRUWSGIIHFDVJV-YPMHNXCESA-N 1 0 375.437 -0.668 20 0 GBADRO CC[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000820932489 599561360 /nfs/dbraw/zinc/56/13/60/599561360.db2.gz OGYNFUUHYSQRRG-LLVKDONJSA-N 1 0 381.462 -0.593 20 0 GBADRO CC[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000820932492 599561373 /nfs/dbraw/zinc/56/13/73/599561373.db2.gz OGYNFUUHYSQRRG-NSHDSACASA-N 1 0 381.462 -0.593 20 0 GBADRO CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820995493 599531667 /nfs/dbraw/zinc/53/16/67/599531667.db2.gz SJHROSCJTISMMH-NEPJUHHUSA-N 1 0 395.489 -0.205 20 0 GBADRO CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000820995494 599531838 /nfs/dbraw/zinc/53/18/38/599531838.db2.gz SJHROSCJTISMMH-NWDGAFQWSA-N 1 0 395.489 -0.205 20 0 GBADRO CC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000820995495 599531821 /nfs/dbraw/zinc/53/18/21/599531821.db2.gz SJHROSCJTISMMH-RYUDHWBXSA-N 1 0 395.489 -0.205 20 0 GBADRO CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000820995496 599531608 /nfs/dbraw/zinc/53/16/08/599531608.db2.gz SJHROSCJTISMMH-VXGBXAGGSA-N 1 0 395.489 -0.205 20 0 GBADRO CCCCNC(=O)NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821073068 606701514 /nfs/dbraw/zinc/70/15/14/606701514.db2.gz XXCQPABMSQVZKJ-UHFFFAOYSA-N 1 0 378.441 -0.338 20 0 GBADRO CCCNC(=O)CN(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821114233 606700252 /nfs/dbraw/zinc/70/02/52/606700252.db2.gz LNUSNJZGBVDWGA-UHFFFAOYSA-N 1 0 392.468 -0.979 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821182579 606164015 /nfs/dbraw/zinc/16/40/15/606164015.db2.gz WWRNTOQILFEUPK-UHFFFAOYSA-N 1 0 390.452 -0.382 20 0 GBADRO CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821188584 606977015 /nfs/dbraw/zinc/97/70/15/606977015.db2.gz AOGVWXOZHWHLAV-GFCCVEGCSA-N 1 0 395.489 -0.009 20 0 GBADRO CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821188587 606977303 /nfs/dbraw/zinc/97/73/03/606977303.db2.gz AOGVWXOZHWHLAV-LBPRGKRZSA-N 1 0 395.489 -0.009 20 0 GBADRO CC[NH+](CC)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821189442 606975244 /nfs/dbraw/zinc/97/52/44/606975244.db2.gz MKTAQWXTQOJOPV-GFCCVEGCSA-N 1 0 395.489 -0.009 20 0 GBADRO CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821189443 606977199 /nfs/dbraw/zinc/97/71/99/606977199.db2.gz MKTAQWXTQOJOPV-LBPRGKRZSA-N 1 0 395.489 -0.009 20 0 GBADRO CC[N@H+](CCCO)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000821206757 606091764 /nfs/dbraw/zinc/09/17/64/606091764.db2.gz DVOYLKAREQNBMD-UHFFFAOYSA-N 1 0 378.437 -0.484 20 0 GBADRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266435 606700345 /nfs/dbraw/zinc/70/03/45/606700345.db2.gz CVRGLEWWPLLFQC-GFCCVEGCSA-N 1 0 390.496 -0.411 20 0 GBADRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821266436 606700135 /nfs/dbraw/zinc/70/01/35/606700135.db2.gz CVRGLEWWPLLFQC-LBPRGKRZSA-N 1 0 390.496 -0.411 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000821266602 945661677 /nfs/dbraw/zinc/66/16/77/945661677.db2.gz FSZTWJQQDLJQTD-UHFFFAOYSA-N 1 0 385.476 -0.452 20 0 GBADRO CC[NH+]1CCN([C@H](C)CNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821266805 606453175 /nfs/dbraw/zinc/45/31/75/606453175.db2.gz HTTFCVLKNYWBDN-GFCCVEGCSA-N 1 0 394.505 -0.048 20 0 GBADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821266808 606453367 /nfs/dbraw/zinc/45/33/67/606453367.db2.gz HTTFCVLKNYWBDN-LBPRGKRZSA-N 1 0 394.505 -0.048 20 0 GBADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821267316 599354937 /nfs/dbraw/zinc/35/49/37/599354937.db2.gz MJYJCYQJXIFIMS-CYBMUJFWSA-N 1 0 394.505 -0.186 20 0 GBADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821267318 599354288 /nfs/dbraw/zinc/35/42/88/599354288.db2.gz MJYJCYQJXIFIMS-ZDUSSCGKSA-N 1 0 394.505 -0.186 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821267751 607212293 /nfs/dbraw/zinc/21/22/93/607212293.db2.gz QHBCAGHIYWNARA-CYBMUJFWSA-N 1 0 376.469 -0.667 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821267752 607212475 /nfs/dbraw/zinc/21/24/75/607212475.db2.gz QHBCAGHIYWNARA-ZDUSSCGKSA-N 1 0 376.469 -0.667 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 ZINC000821267772 599695773 /nfs/dbraw/zinc/69/57/73/599695773.db2.gz QUYPPNLBBBFMCG-UHFFFAOYSA-N 1 0 385.476 -0.452 20 0 GBADRO CC[NH+]1CCN(CC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 ZINC000821268111 599695841 /nfs/dbraw/zinc/69/58/41/599695841.db2.gz TXYHSNCHZNRQMT-UHFFFAOYSA-N 1 0 385.476 -0.452 20 0 GBADRO CC[NH+]1CCN(CC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000821268402 599699759 /nfs/dbraw/zinc/69/97/59/599699759.db2.gz WACGURMKTYFKFO-UHFFFAOYSA-N 1 0 399.503 -0.016 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821275610 606394663 /nfs/dbraw/zinc/39/46/63/606394663.db2.gz BJVAUZHGCQYWSY-UHFFFAOYSA-N 1 0 390.423 -0.302 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821276416 607271981 /nfs/dbraw/zinc/27/19/81/607271981.db2.gz LFYOIDBZAJLJAL-UHFFFAOYSA-N 1 0 386.460 -0.133 20 0 GBADRO CCN1CCO[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277450 606309199 /nfs/dbraw/zinc/30/91/99/606309199.db2.gz SZKWYSZBKOIIDW-AWEZNQCLSA-N 1 0 380.474 -0.049 20 0 GBADRO CCN1CCO[C@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277451 606309377 /nfs/dbraw/zinc/30/93/77/606309377.db2.gz SZKWYSZBKOIIDW-CQSZACIVSA-N 1 0 380.474 -0.049 20 0 GBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)CC1 ZINC000821277763 599597475 /nfs/dbraw/zinc/59/74/75/599597475.db2.gz XMDMVJGRNWTSJH-UHFFFAOYSA-N 1 0 386.460 -0.133 20 0 GBADRO CCOC[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369264 606860383 /nfs/dbraw/zinc/86/03/83/606860383.db2.gz YQTQVITYSAWLGC-DLBZAZTESA-N 1 0 376.461 -0.085 20 0 GBADRO CCOC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369265 606860409 /nfs/dbraw/zinc/86/04/09/606860409.db2.gz YQTQVITYSAWLGC-IAGOWNOFSA-N 1 0 376.461 -0.085 20 0 GBADRO CCOC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369266 606860653 /nfs/dbraw/zinc/86/06/53/606860653.db2.gz YQTQVITYSAWLGC-IRXDYDNUSA-N 1 0 376.461 -0.085 20 0 GBADRO CCOC[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369267 606860350 /nfs/dbraw/zinc/86/03/50/606860350.db2.gz YQTQVITYSAWLGC-SJORKVTESA-N 1 0 376.461 -0.085 20 0 GBADRO CCOCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821378211 599534429 /nfs/dbraw/zinc/53/44/29/599534429.db2.gz LKQPPZULPCBKMH-UHFFFAOYSA-N 1 0 381.462 -0.327 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1=O ZINC000821382273 638000981 /nfs/dbraw/zinc/00/09/81/638000981.db2.gz DSXFFDVWTJREMO-UHFFFAOYSA-N 1 0 388.412 -0.621 20 0 GBADRO CCS(=O)(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821440913 607298990 /nfs/dbraw/zinc/29/89/90/607298990.db2.gz DSWBGSBCINUTQA-UHFFFAOYSA-N 1 0 395.489 -0.304 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821575490 606757057 /nfs/dbraw/zinc/75/70/57/606757057.db2.gz DQFIVEHXIWNYFZ-INIZCTEOSA-N 1 0 386.460 -0.511 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821575491 606756998 /nfs/dbraw/zinc/75/69/98/606756998.db2.gz DQFIVEHXIWNYFZ-MRXNPFEDSA-N 1 0 386.460 -0.511 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821575565 945720395 /nfs/dbraw/zinc/72/03/95/945720395.db2.gz GZGQKDDHRCISBV-GFCCVEGCSA-N 1 0 390.452 -0.336 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821575566 945720332 /nfs/dbraw/zinc/72/03/32/945720332.db2.gz GZGQKDDHRCISBV-LBPRGKRZSA-N 1 0 390.452 -0.336 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000821575755 606757174 /nfs/dbraw/zinc/75/71/74/606757174.db2.gz ONDJLUWBZZBVML-UHFFFAOYSA-N 1 0 392.489 -0.037 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821575856 606757211 /nfs/dbraw/zinc/75/72/11/606757211.db2.gz RXHKVYFUNFYSTL-UHFFFAOYSA-N 1 0 386.460 -0.099 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821575987 606757019 /nfs/dbraw/zinc/75/70/19/606757019.db2.gz XORCYGGXUKWWPE-UHFFFAOYSA-N 1 0 386.460 -0.099 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821582874 606385766 /nfs/dbraw/zinc/38/57/66/606385766.db2.gz AQTCSNOWPFTNNF-UHFFFAOYSA-N 1 0 386.460 -0.053 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821582973 606842256 /nfs/dbraw/zinc/84/22/56/606842256.db2.gz DLXGSSRXVKFDRO-UHFFFAOYSA-N 1 0 397.436 -0.600 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000821583073 607362377 /nfs/dbraw/zinc/36/23/77/607362377.db2.gz HVGBOMYPFWISGM-UHFFFAOYSA-N 1 0 378.462 -0.428 20 0 GBADRO C[NH+](C)C1CCN(CCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821583333 606402685 /nfs/dbraw/zinc/40/26/85/606402685.db2.gz RIGYSZGEUGUNFF-UHFFFAOYSA-N 1 0 394.505 -0.048 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583377 607362347 /nfs/dbraw/zinc/36/23/47/607362347.db2.gz SWVAMNBACRQKBW-UHFFFAOYSA-N 1 0 386.460 -0.099 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583429 607362471 /nfs/dbraw/zinc/36/24/71/607362471.db2.gz VBAWOVKYLPIPQW-UHFFFAOYSA-N 1 0 386.460 -0.099 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583466 606385863 /nfs/dbraw/zinc/38/58/63/606385863.db2.gz WMVCTLILCGQWFJ-UHFFFAOYSA-N 1 0 386.460 -0.053 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821583495 606669582 /nfs/dbraw/zinc/66/95/82/606669582.db2.gz XRHXGEBBJWNWIY-UHFFFAOYSA-N 1 0 379.371 -0.009 20 0 GBADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821583567 606404643 /nfs/dbraw/zinc/40/46/43/606404643.db2.gz ZWSRGOVFKFIRTI-UHFFFAOYSA-N 1 0 380.478 -0.434 20 0 GBADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821584406 606603938 /nfs/dbraw/zinc/60/39/38/606603938.db2.gz BZSRHTULPZIUPP-UHFFFAOYSA-N 1 0 398.431 -0.487 20 0 GBADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000821584423 606912747 /nfs/dbraw/zinc/91/27/47/606912747.db2.gz CSUHJUVPTPPZOV-CYBMUJFWSA-N 1 0 395.489 -0.214 20 0 GBADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000821584424 606912984 /nfs/dbraw/zinc/91/29/84/606912984.db2.gz CSUHJUVPTPPZOV-ZDUSSCGKSA-N 1 0 395.489 -0.214 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584425 606912764 /nfs/dbraw/zinc/91/27/64/606912764.db2.gz CVRHDCSDYHRSKG-CYBMUJFWSA-N 1 0 393.473 -0.157 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000821584426 606912857 /nfs/dbraw/zinc/91/28/57/606912857.db2.gz CVRHDCSDYHRSKG-ZDUSSCGKSA-N 1 0 393.473 -0.157 20 0 GBADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC000821584795 606609570 /nfs/dbraw/zinc/60/95/70/606609570.db2.gz SJYZASJIYUPERB-LLVKDONJSA-N 1 0 377.380 -0.267 20 0 GBADRO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC000821584796 606609990 /nfs/dbraw/zinc/60/99/90/606609990.db2.gz SJYZASJIYUPERB-NSHDSACASA-N 1 0 377.380 -0.267 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584801 606912949 /nfs/dbraw/zinc/91/29/49/606912949.db2.gz STXAQCTXPCFZDG-GFCCVEGCSA-N 1 0 381.462 -0.224 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000821584802 606912916 /nfs/dbraw/zinc/91/29/16/606912916.db2.gz STXAQCTXPCFZDG-LBPRGKRZSA-N 1 0 381.462 -0.224 20 0 GBADRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CCO1 ZINC000821584804 606404563 /nfs/dbraw/zinc/40/45/63/606404563.db2.gz SWOSZKSBCRMFIQ-LLVKDONJSA-N 1 0 377.380 -0.267 20 0 GBADRO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CCO1 ZINC000821584805 606404279 /nfs/dbraw/zinc/40/42/79/606404279.db2.gz SWOSZKSBCRMFIQ-NSHDSACASA-N 1 0 377.380 -0.267 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584890 606912773 /nfs/dbraw/zinc/91/27/73/606912773.db2.gz WPTKDOWQGXCNHF-CYBMUJFWSA-N 1 0 393.473 -0.157 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000821584891 606912728 /nfs/dbraw/zinc/91/27/28/606912728.db2.gz WPTKDOWQGXCNHF-ZDUSSCGKSA-N 1 0 393.473 -0.157 20 0 GBADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000821585947 945725204 /nfs/dbraw/zinc/72/52/04/945725204.db2.gz CCEWWDCDBSJUDD-UHFFFAOYSA-N 1 0 399.415 -0.146 20 0 GBADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000821586091 599697896 /nfs/dbraw/zinc/69/78/96/599697896.db2.gz JIFLINCQHWLQGG-UHFFFAOYSA-N 1 0 399.415 -0.146 20 0 GBADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cn(CC(N)=O)nn1 ZINC000821586161 599147135 /nfs/dbraw/zinc/14/71/35/599147135.db2.gz MFBDMOGCWAJVRD-UHFFFAOYSA-N 1 0 398.431 -0.853 20 0 GBADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000821586299 599142015 /nfs/dbraw/zinc/14/20/15/599142015.db2.gz RPLODZCNTPQPNR-UHFFFAOYSA-N 1 0 398.431 -0.853 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000821587030 606573104 /nfs/dbraw/zinc/57/31/04/606573104.db2.gz COEMILGPHZGAES-UHFFFAOYSA-N 1 0 397.443 -0.078 20 0 GBADRO C[NH+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821587048 606605801 /nfs/dbraw/zinc/60/58/01/606605801.db2.gz DFSXNCPUENRWPO-UHFFFAOYSA-N 1 0 384.404 -0.877 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[nH]n2)cn1 ZINC000821587101 606161499 /nfs/dbraw/zinc/16/14/99/606161499.db2.gz GRQAUYXYHAUSLQ-UHFFFAOYSA-N 1 0 388.440 -0.316 20 0 GBADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000821587157 606256175 /nfs/dbraw/zinc/25/61/75/606256175.db2.gz JMIYEWKCNVWOHC-UHFFFAOYSA-N 1 0 386.420 -0.668 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000821587183 607180030 /nfs/dbraw/zinc/18/00/30/607180030.db2.gz KQWANYWFFVRSRN-UHFFFAOYSA-N 1 0 383.416 -0.120 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1=O ZINC000821587191 599696670 /nfs/dbraw/zinc/69/66/70/599696670.db2.gz LALMXOGEIOEGGY-CYBMUJFWSA-N 1 0 387.448 -0.800 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1=O ZINC000821587192 599696591 /nfs/dbraw/zinc/69/65/91/599696591.db2.gz LALMXOGEIOEGGY-ZDUSSCGKSA-N 1 0 387.448 -0.800 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000821587326 606021085 /nfs/dbraw/zinc/02/10/85/606021085.db2.gz RNAPOTVLFOUQFR-AWEZNQCLSA-N 1 0 387.444 -0.228 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000821587327 606020803 /nfs/dbraw/zinc/02/08/03/606020803.db2.gz RNAPOTVLFOUQFR-CQSZACIVSA-N 1 0 387.444 -0.228 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[nH]n2)n1 ZINC000821587334 599286729 /nfs/dbraw/zinc/28/67/29/599286729.db2.gz RYXVQXANCMORQZ-UHFFFAOYSA-N 1 0 388.440 -0.316 20 0 GBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000821587344 607180042 /nfs/dbraw/zinc/18/00/42/607180042.db2.gz SKDVANLTAAQGLG-UHFFFAOYSA-N 1 0 383.416 -0.120 20 0 GBADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821587379 606143486 /nfs/dbraw/zinc/14/34/86/606143486.db2.gz UUHRGGVDVCYOGI-UHFFFAOYSA-N 1 0 381.462 -0.007 20 0 GBADRO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595194 606336614 /nfs/dbraw/zinc/33/66/14/606336614.db2.gz OZRBVXAYRQTHFG-CVEARBPZSA-N 1 0 392.460 -0.769 20 0 GBADRO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821595195 606336374 /nfs/dbraw/zinc/33/63/74/606336374.db2.gz OZRBVXAYRQTHFG-HOTGVXAUSA-N 1 0 392.460 -0.769 20 0 GBADRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821595196 606336136 /nfs/dbraw/zinc/33/61/36/606336136.db2.gz OZRBVXAYRQTHFG-HZPDHXFCSA-N 1 0 392.460 -0.769 20 0 GBADRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821595197 606336541 /nfs/dbraw/zinc/33/65/41/606336541.db2.gz OZRBVXAYRQTHFG-JKSUJKDBSA-N 1 0 392.460 -0.769 20 0 GBADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@H](O)CN1CCOCC1 ZINC000821597668 606336453 /nfs/dbraw/zinc/33/64/53/606336453.db2.gz CBYJJDPIZRUPQE-AWEZNQCLSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597669 606336560 /nfs/dbraw/zinc/33/65/60/606336560.db2.gz CBYJJDPIZRUPQE-CQSZACIVSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821597672 606336638 /nfs/dbraw/zinc/33/66/38/606336638.db2.gz CDIYGYMCXAQWAL-INIZCTEOSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821597673 606336578 /nfs/dbraw/zinc/33/65/78/606336578.db2.gz CDIYGYMCXAQWAL-MRXNPFEDSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821597714 606336187 /nfs/dbraw/zinc/33/61/87/606336187.db2.gz DZAGTOBOUQCTPB-INIZCTEOSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821597715 606336426 /nfs/dbraw/zinc/33/64/26/606336426.db2.gz DZAGTOBOUQCTPB-MRXNPFEDSA-N 1 0 389.460 -0.180 20 0 GBADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H](O)CN1CCOCC1 ZINC000821597779 606336175 /nfs/dbraw/zinc/33/61/75/606336175.db2.gz GYABYMOZESXRSN-GFCCVEGCSA-N 1 0 395.489 -0.118 20 0 GBADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H](O)CN1CCOCC1 ZINC000821597780 606336682 /nfs/dbraw/zinc/33/66/82/606336682.db2.gz GYABYMOZESXRSN-LBPRGKRZSA-N 1 0 395.489 -0.118 20 0 GBADRO C[N@H+](CCCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821600199 599559333 /nfs/dbraw/zinc/55/93/33/599559333.db2.gz BSGSOBVYKMBNEH-UHFFFAOYSA-N 1 0 395.489 -0.203 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)Nc1ccccc1C(N)=O ZINC000821600310 606699764 /nfs/dbraw/zinc/69/97/64/606699764.db2.gz HIWVEJNAQBAUEY-UHFFFAOYSA-N 1 0 398.431 -0.226 20 0 GBADRO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000821601524 607111201 /nfs/dbraw/zinc/11/12/01/607111201.db2.gz LSTIYVNCIKXHLK-UHFFFAOYSA-N 1 0 381.408 -0.201 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821620295 606416164 /nfs/dbraw/zinc/41/61/64/606416164.db2.gz DWDNPVUNMSWUCE-JCGVRSQUSA-N 1 0 398.427 -0.297 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821620296 606415701 /nfs/dbraw/zinc/41/57/01/606415701.db2.gz DWDNPVUNMSWUCE-LXIYXOSZSA-N 1 0 398.427 -0.297 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821620297 606416063 /nfs/dbraw/zinc/41/60/63/606416063.db2.gz DWDNPVUNMSWUCE-VBHSOAQHSA-N 1 0 398.427 -0.297 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821620298 606415684 /nfs/dbraw/zinc/41/56/84/606415684.db2.gz DWDNPVUNMSWUCE-VFVRVIDISA-N 1 0 398.427 -0.297 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821623087 606403408 /nfs/dbraw/zinc/40/34/08/606403408.db2.gz CBURBQOZJRCASJ-UHFFFAOYSA-N 1 0 377.380 -0.483 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821623258 607340471 /nfs/dbraw/zinc/34/04/71/607340471.db2.gz HLXRWEBOXGPWJO-UHFFFAOYSA-N 1 0 377.380 -0.483 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000821623399 945753069 /nfs/dbraw/zinc/75/30/69/945753069.db2.gz KPDPDBNOAYRWIP-UHFFFAOYSA-N 1 0 397.443 -0.179 20 0 GBADRO 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ZINC000821627108 606395401 /nfs/dbraw/zinc/39/54/01/606395401.db2.gz NPHUZLMNINXXAK-UHFFFAOYSA-N 1 0 390.423 -0.302 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821627193 606399654 /nfs/dbraw/zinc/39/96/54/606399654.db2.gz QTXWQMQMYBTFTQ-LLVKDONJSA-N 1 0 376.396 -0.694 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821627194 606399956 /nfs/dbraw/zinc/39/99/56/606399956.db2.gz QTXWQMQMYBTFTQ-NSHDSACASA-N 1 0 376.396 -0.694 20 0 GBADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821627253 607332662 /nfs/dbraw/zinc/33/26/62/607332662.db2.gz UARKXWJEPJVBLA-UHFFFAOYSA-N 1 0 390.423 -0.302 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821627352 607181728 /nfs/dbraw/zinc/18/17/28/607181728.db2.gz YAULYSZMLHKXEJ-LLVKDONJSA-N 1 0 392.851 -0.179 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821627353 607181740 /nfs/dbraw/zinc/18/17/40/607181740.db2.gz YAULYSZMLHKXEJ-NSHDSACASA-N 1 0 392.851 -0.179 20 0 GBADRO C[NH+]1CCN(C[C@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000821627379 606553776 /nfs/dbraw/zinc/55/37/76/606553776.db2.gz YVNZJLPWKNHCEJ-KRWDZBQOSA-N 1 0 385.472 -0.116 20 0 GBADRO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000821627380 606553467 /nfs/dbraw/zinc/55/34/67/606553467.db2.gz YVNZJLPWKNHCEJ-QGZVFWFLSA-N 1 0 385.472 -0.116 20 0 GBADRO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821632800 606299181 /nfs/dbraw/zinc/29/91/81/606299181.db2.gz JSSTXORWTJPQGW-INIZCTEOSA-N 1 0 387.444 -0.119 20 0 GBADRO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821632801 606299339 /nfs/dbraw/zinc/29/93/39/606299339.db2.gz JSSTXORWTJPQGW-MRXNPFEDSA-N 1 0 387.444 -0.119 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821636046 606623752 /nfs/dbraw/zinc/62/37/52/606623752.db2.gz CNHJVGDYKCVZOL-KBPBESRZSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821636047 606623616 /nfs/dbraw/zinc/62/36/16/606623616.db2.gz CNHJVGDYKCVZOL-KGLIPLIRSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821636048 606623406 /nfs/dbraw/zinc/62/34/06/606623406.db2.gz CNHJVGDYKCVZOL-UONOGXRCSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821636049 606623825 /nfs/dbraw/zinc/62/38/25/606623825.db2.gz CNHJVGDYKCVZOL-ZIAGYGMSSA-N 1 0 396.473 -0.380 20 0 GBADRO CNS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821636422 606310677 /nfs/dbraw/zinc/31/06/77/606310677.db2.gz QANYMUUHPVGWNA-UHFFFAOYSA-N 1 0 381.462 -0.694 20 0 GBADRO CNS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821636459 606360983 /nfs/dbraw/zinc/36/09/83/606360983.db2.gz RAPKJUDAPCHJKO-UHFFFAOYSA-N 1 0 381.462 -0.694 20 0 GBADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000821650690 607362167 /nfs/dbraw/zinc/36/21/67/607362167.db2.gz XDMTULJNEKHKSC-INIZCTEOSA-N 1 0 387.444 -0.213 20 0 GBADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000821650691 607362157 /nfs/dbraw/zinc/36/21/57/607362157.db2.gz XDMTULJNEKHKSC-MRXNPFEDSA-N 1 0 387.444 -0.213 20 0 GBADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000821652465 607362565 /nfs/dbraw/zinc/36/25/65/607362565.db2.gz SRCWUUAORQZZBO-INIZCTEOSA-N 1 0 387.444 -0.213 20 0 GBADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000821652466 607362570 /nfs/dbraw/zinc/36/25/70/607362570.db2.gz SRCWUUAORQZZBO-MRXNPFEDSA-N 1 0 387.444 -0.213 20 0 GBADRO COC1CC[NH+](CCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679700 606196568 /nfs/dbraw/zinc/19/65/68/606196568.db2.gz IQKRKKMRRCJXEZ-UHFFFAOYSA-N 1 0 387.444 -0.177 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000821686879 599610645 /nfs/dbraw/zinc/61/06/45/599610645.db2.gz DAOGBNOGZZIABH-UHFFFAOYSA-N 1 0 391.432 -0.102 20 0 GBADRO COCCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821686964 599447735 /nfs/dbraw/zinc/44/77/35/599447735.db2.gz HKPRURGSIBZUPU-UHFFFAOYSA-N 1 0 375.433 -0.319 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821689481 606399948 /nfs/dbraw/zinc/39/99/48/606399948.db2.gz ACJWRUMWTICRFN-UHFFFAOYSA-N 1 0 379.396 -0.019 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000821689852 607337680 /nfs/dbraw/zinc/33/76/80/607337680.db2.gz PCXRVSSJIOXONB-UHFFFAOYSA-N 1 0 379.396 -0.019 20 0 GBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821690207 606403469 /nfs/dbraw/zinc/40/34/69/606403469.db2.gz ADIWBSHWWULFOY-LLVKDONJSA-N 1 0 377.380 -0.219 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821690208 606403055 /nfs/dbraw/zinc/40/30/55/606403055.db2.gz ADIWBSHWWULFOY-NSHDSACASA-N 1 0 377.380 -0.219 20 0 GBADRO 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ZINC000823359737 599613680 /nfs/dbraw/zinc/61/36/80/599613680.db2.gz ROXZIABHRKUXDH-CYBMUJFWSA-N 1 0 385.428 -0.014 20 0 GBADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000823359738 599613772 /nfs/dbraw/zinc/61/37/72/599613772.db2.gz ROXZIABHRKUXDH-ZDUSSCGKSA-N 1 0 385.428 -0.014 20 0 GBADRO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000823381520 638006518 /nfs/dbraw/zinc/00/65/18/638006518.db2.gz VDJGWAYXEHKDPS-UHFFFAOYSA-N 1 0 392.547 -0.021 20 0 GBADRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1CCN1CCOCC1 ZINC000823518894 607389785 /nfs/dbraw/zinc/38/97/85/607389785.db2.gz AXVYFBMGSQVEMK-GFCCVEGCSA-N 1 0 377.474 -0.049 20 0 GBADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1CCN1CCOCC1 ZINC000823518895 607389869 /nfs/dbraw/zinc/38/98/69/607389869.db2.gz AXVYFBMGSQVEMK-LBPRGKRZSA-N 1 0 377.474 -0.049 20 0 GBADRO O=C1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1CCN1CCOCC1 ZINC000823519226 946442566 /nfs/dbraw/zinc/44/25/66/946442566.db2.gz FCGXYCCXHSBXSF-CYBMUJFWSA-N 1 0 377.474 -0.049 20 0 GBADRO O=C1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1CCN1CCOCC1 ZINC000823519227 946442963 /nfs/dbraw/zinc/44/29/63/946442963.db2.gz FCGXYCCXHSBXSF-ZDUSSCGKSA-N 1 0 377.474 -0.049 20 0 GBADRO O=S(=O)(CC[NH2+][C@H]1CCCN(CCO)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561870 606188536 /nfs/dbraw/zinc/18/85/36/606188536.db2.gz LECYGNGOYNNQSM-AWEZNQCLSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(CC[NH2+][C@@H]1CCCN(CCO)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561872 606188849 /nfs/dbraw/zinc/18/88/49/606188849.db2.gz LECYGNGOYNNQSM-CQSZACIVSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(CC[NH2+]CCCN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562044 606308899 /nfs/dbraw/zinc/30/88/99/606308899.db2.gz NCLHMWBGQLROQP-UHFFFAOYSA-N 1 0 380.474 -0.048 20 0 GBADRO O=S(=O)(CC[NH2+]C1CCN(CCO)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562591 606188928 /nfs/dbraw/zinc/18/89/28/606188928.db2.gz UAZIHASZMJXXLK-UHFFFAOYSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccnc1 ZINC000823578047 607495319 /nfs/dbraw/zinc/49/53/19/607495319.db2.gz GXMNWWNZRQPDDQ-UHFFFAOYSA-N 1 0 399.440 -0.023 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000823614747 606975508 /nfs/dbraw/zinc/97/55/08/606975508.db2.gz SGIHNKFPKFWKPG-CABCVRRESA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H](N2CCOCC2)C1 ZINC000823614748 606975202 /nfs/dbraw/zinc/97/52/02/606975202.db2.gz SGIHNKFPKFWKPG-GJZGRUSLSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@H](N2CCOCC2)C1 ZINC000823614749 606975233 /nfs/dbraw/zinc/97/52/33/606975233.db2.gz SGIHNKFPKFWKPG-HUUCEWRRSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@H](N2CCOCC2)C1 ZINC000823614750 606975104 /nfs/dbraw/zinc/97/51/04/606975104.db2.gz SGIHNKFPKFWKPG-LSDHHAIUSA-N 1 0 396.448 -0.407 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000823614907 606421064 /nfs/dbraw/zinc/42/10/64/606421064.db2.gz UKMXGCMVXFFHOG-NEPJUHHUSA-N 1 0 384.487 -0.484 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](N2CCOCC2)C1 ZINC000823614908 606421370 /nfs/dbraw/zinc/42/13/70/606421370.db2.gz UKMXGCMVXFFHOG-NWDGAFQWSA-N 1 0 384.487 -0.484 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H](N2CCOCC2)C1 ZINC000823614909 606421140 /nfs/dbraw/zinc/42/11/40/606421140.db2.gz UKMXGCMVXFFHOG-RYUDHWBXSA-N 1 0 384.487 -0.484 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](N2CCOCC2)C1 ZINC000823614910 606421263 /nfs/dbraw/zinc/42/12/63/606421263.db2.gz UKMXGCMVXFFHOG-VXGBXAGGSA-N 1 0 384.487 -0.484 20 0 GBADRO O[C@H](COC1CCOCC1)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000823689538 606696241 /nfs/dbraw/zinc/69/62/41/606696241.db2.gz HHYDJTORZUZPIK-AWEZNQCLSA-N 1 0 389.460 -0.060 20 0 GBADRO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000823689539 606696225 /nfs/dbraw/zinc/69/62/25/606696225.db2.gz HHYDJTORZUZPIK-CQSZACIVSA-N 1 0 389.460 -0.060 20 0 GBADRO O[C@H](COC1CCOCC1)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000823690829 606704710 /nfs/dbraw/zinc/70/47/10/606704710.db2.gz VQQQNLQOCAOOFZ-HNNXBMFYSA-N 1 0 389.460 -0.060 20 0 GBADRO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000823690830 606704764 /nfs/dbraw/zinc/70/47/64/606704764.db2.gz VQQQNLQOCAOOFZ-OAHLLOKOSA-N 1 0 389.460 -0.060 20 0 GBADRO OCCCC[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823717692 606089818 /nfs/dbraw/zinc/08/98/18/606089818.db2.gz JINNCCNHVGSXMM-INIZCTEOSA-N 1 0 376.461 -0.004 20 0 GBADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823717693 606089891 /nfs/dbraw/zinc/08/98/91/606089891.db2.gz JINNCCNHVGSXMM-MRXNPFEDSA-N 1 0 376.461 -0.004 20 0 GBADRO OCC[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823721671 606396258 /nfs/dbraw/zinc/39/62/58/606396258.db2.gz GUJJQZZKCCAOGD-INIZCTEOSA-N 1 0 392.460 -0.767 20 0 GBADRO OCC[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823721672 606396103 /nfs/dbraw/zinc/39/61/03/606396103.db2.gz GUJJQZZKCCAOGD-MRXNPFEDSA-N 1 0 392.460 -0.767 20 0 GBADRO OCCOC[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823721791 606958344 /nfs/dbraw/zinc/95/83/44/606958344.db2.gz IXXKFOJROPUABU-KRWDZBQOSA-N 1 0 376.461 -0.256 20 0 GBADRO OCCOC[C@H](O)C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823721793 606958398 /nfs/dbraw/zinc/95/83/98/606958398.db2.gz IXXKFOJROPUABU-QGZVFWFLSA-N 1 0 376.461 -0.256 20 0 GBADRO Cn1cc(Br)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1=O ZINC000823866607 638007610 /nfs/dbraw/zinc/00/76/10/638007610.db2.gz ZRCPLVYGSATMCI-UHFFFAOYSA-N 1 0 385.262 -0.006 20 0 GBADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824040637 608035050 /nfs/dbraw/zinc/03/50/50/608035050.db2.gz RPHUDGPCMDOSSE-MRVPVSSYSA-N 1 0 376.425 -0.587 20 0 GBADRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824040638 608035203 /nfs/dbraw/zinc/03/52/03/608035203.db2.gz RPHUDGPCMDOSSE-QMMMGPOBSA-N 1 0 376.425 -0.587 20 0 GBADRO CC(C)(C)n1cc(-c2nn[nH]n2)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000824147681 608352590 /nfs/dbraw/zinc/35/25/90/608352590.db2.gz GRUHCXMAMNNUGW-UHFFFAOYSA-N 1 0 398.431 -0.198 20 0 GBADRO CC(C)(C)n1cc(-c2nn[nH]n2)c(NC(=O)C(=O)NCC[NH+]2CCCC2)n1 ZINC000824147693 608352654 /nfs/dbraw/zinc/35/26/54/608352654.db2.gz HAGQYJJYFZHTPK-UHFFFAOYSA-N 1 0 375.437 -0.031 20 0 GBADRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824266184 946639261 /nfs/dbraw/zinc/63/92/61/946639261.db2.gz GBQMLNBBAIQOSW-JTQLQIEISA-N 1 0 392.468 -0.093 20 0 GBADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824266185 946638235 /nfs/dbraw/zinc/63/82/35/946638235.db2.gz GBQMLNBBAIQOSW-SNVBAGLBSA-N 1 0 392.468 -0.093 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000824296400 607671733 /nfs/dbraw/zinc/67/17/33/607671733.db2.gz HBLBKHHWWQSENX-UHFFFAOYSA-N 1 0 381.462 -0.225 20 0 GBADRO CC(C)[NH+](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000824329515 605766194 /nfs/dbraw/zinc/76/61/94/605766194.db2.gz GWSQLMMHSONFFF-HNNXBMFYSA-N 1 0 385.509 -0.026 20 0 GBADRO CC(C)[NH+](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000824329516 605766297 /nfs/dbraw/zinc/76/62/97/605766297.db2.gz GWSQLMMHSONFFF-OAHLLOKOSA-N 1 0 385.509 -0.026 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824412525 946693486 /nfs/dbraw/zinc/69/34/86/946693486.db2.gz AGKJHAVHFNIFIJ-AWEZNQCLSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824412526 946693460 /nfs/dbraw/zinc/69/34/60/946693460.db2.gz AGKJHAVHFNIFIJ-CQSZACIVSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000824412759 946693208 /nfs/dbraw/zinc/69/32/08/946693208.db2.gz FGUABBKMSMAYFI-AWEZNQCLSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000824412760 946693319 /nfs/dbraw/zinc/69/33/19/946693319.db2.gz FGUABBKMSMAYFI-CQSZACIVSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000824413849 607609938 /nfs/dbraw/zinc/60/99/38/607609938.db2.gz QSUPTDYESVSPKM-LLVKDONJSA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000824413850 607610067 /nfs/dbraw/zinc/61/00/67/607610067.db2.gz QSUPTDYESVSPKM-NSHDSACASA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824413866 608385970 /nfs/dbraw/zinc/38/59/70/608385970.db2.gz QZNQCVDTMOIBAB-AWEZNQCLSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824413867 608386436 /nfs/dbraw/zinc/38/64/36/608386436.db2.gz QZNQCVDTMOIBAB-CQSZACIVSA-N 1 0 386.460 -0.121 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824413884 607609742 /nfs/dbraw/zinc/60/97/42/607609742.db2.gz RKLQYXRKCPTWGJ-LLVKDONJSA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824413885 607610100 /nfs/dbraw/zinc/61/01/00/607610100.db2.gz RKLQYXRKCPTWGJ-NSHDSACASA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824414315 608556359 /nfs/dbraw/zinc/55/63/59/608556359.db2.gz ZGPITBWSKOVMAM-LLVKDONJSA-N 1 0 377.453 -0.469 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824414316 608556037 /nfs/dbraw/zinc/55/60/37/608556037.db2.gz ZGPITBWSKOVMAM-NSHDSACASA-N 1 0 377.453 -0.469 20 0 GBADRO C[C@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824420719 607815070 /nfs/dbraw/zinc/81/50/70/607815070.db2.gz OQWVEWWGGRWFOV-CYBMUJFWSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@@H](CN1CCOCC1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824420722 607815174 /nfs/dbraw/zinc/81/51/74/607815174.db2.gz OQWVEWWGGRWFOV-ZDUSSCGKSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000824426201 607814445 /nfs/dbraw/zinc/81/44/45/607814445.db2.gz BRFPLYIPYJICNZ-CYBMUJFWSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000824426202 607814606 /nfs/dbraw/zinc/81/46/06/607814606.db2.gz BRFPLYIPYJICNZ-ZDUSSCGKSA-N 1 0 380.474 -0.049 20 0 GBADRO C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824426227 607640801 /nfs/dbraw/zinc/64/08/01/607640801.db2.gz CACRGOVVRPGRJN-LLVKDONJSA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824426228 607640703 /nfs/dbraw/zinc/64/07/03/607640703.db2.gz CACRGOVVRPGRJN-NSHDSACASA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824426284 607640680 /nfs/dbraw/zinc/64/06/80/607640680.db2.gz CRXHETQRGHTDDK-LLVKDONJSA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824426286 607640793 /nfs/dbraw/zinc/64/07/93/607640793.db2.gz CRXHETQRGHTDDK-NSHDSACASA-N 1 0 383.453 -0.080 20 0 GBADRO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824562282 608491921 /nfs/dbraw/zinc/49/19/21/608491921.db2.gz DXOLLZGONJURGR-GFCCVEGCSA-N 1 0 395.489 -0.085 20 0 GBADRO C[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824562284 608492097 /nfs/dbraw/zinc/49/20/97/608492097.db2.gz DXOLLZGONJURGR-LBPRGKRZSA-N 1 0 395.489 -0.085 20 0 GBADRO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824563451 608484134 /nfs/dbraw/zinc/48/41/34/608484134.db2.gz ORYJIWQFBSHYAX-SECBINFHSA-N 1 0 384.400 -0.620 20 0 GBADRO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824563452 608484363 /nfs/dbraw/zinc/48/43/63/608484363.db2.gz ORYJIWQFBSHYAX-VIFPVBQESA-N 1 0 384.400 -0.620 20 0 GBADRO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564069 608467679 /nfs/dbraw/zinc/46/76/79/608467679.db2.gz REFBDYHYSDWXEX-GFCCVEGCSA-N 1 0 395.489 -0.085 20 0 GBADRO C[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564070 608467423 /nfs/dbraw/zinc/46/74/23/608467423.db2.gz REFBDYHYSDWXEX-LBPRGKRZSA-N 1 0 395.489 -0.085 20 0 GBADRO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824607509 608464275 /nfs/dbraw/zinc/46/42/75/608464275.db2.gz ZJQREERFPPZOBY-LLVKDONJSA-N 1 0 395.427 -0.035 20 0 GBADRO C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824607510 608464061 /nfs/dbraw/zinc/46/40/61/608464061.db2.gz ZJQREERFPPZOBY-NSHDSACASA-N 1 0 395.427 -0.035 20 0 GBADRO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nn[nH]n2)c1 ZINC000824607580 608487469 /nfs/dbraw/zinc/48/74/69/608487469.db2.gz ZZGJZWOUYLWZKV-LLVKDONJSA-N 1 0 395.427 -0.035 20 0 GBADRO C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-c2nn[nH]n2)c1 ZINC000824607583 608487508 /nfs/dbraw/zinc/48/75/08/608487508.db2.gz ZZGJZWOUYLWZKV-NSHDSACASA-N 1 0 395.427 -0.035 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000824633801 608208820 /nfs/dbraw/zinc/20/88/20/608208820.db2.gz QJKLDXOCSWOARI-JTQLQIEISA-N 1 0 379.446 -0.694 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC([NH+](C)C)C1 ZINC000824633815 608208915 /nfs/dbraw/zinc/20/89/15/608208915.db2.gz QJKLDXOCSWOARI-SNVBAGLBSA-N 1 0 379.446 -0.694 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC1 ZINC000824633906 607765720 /nfs/dbraw/zinc/76/57/20/607765720.db2.gz RJILASUTHSLWHZ-LLVKDONJSA-N 1 0 379.446 -0.645 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC1 ZINC000824633911 607765707 /nfs/dbraw/zinc/76/57/07/607765707.db2.gz RJILASUTHSLWHZ-NSHDSACASA-N 1 0 379.446 -0.645 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635065 946881575 /nfs/dbraw/zinc/88/15/75/946881575.db2.gz YGSNXRIJEOSXKW-GFCCVEGCSA-N 1 0 395.489 -0.056 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)CCC[NH+](C)C ZINC000824635068 946880682 /nfs/dbraw/zinc/88/06/82/946880682.db2.gz YGSNXRIJEOSXKW-LBPRGKRZSA-N 1 0 395.489 -0.056 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640666 946883394 /nfs/dbraw/zinc/88/33/94/946883394.db2.gz NAPPVYWKKLKMAF-GFCCVEGCSA-N 1 0 395.489 -0.056 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)CCC[NH+](C)C ZINC000824640667 946884026 /nfs/dbraw/zinc/88/40/26/946884026.db2.gz NAPPVYWKKLKMAF-LBPRGKRZSA-N 1 0 395.489 -0.056 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[NH+]1CCC1 ZINC000824641006 607765266 /nfs/dbraw/zinc/76/52/66/607765266.db2.gz QZNRJPIGDHCDBM-LLVKDONJSA-N 1 0 379.446 -0.645 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCC[NH+]1CCC1 ZINC000824641007 607765271 /nfs/dbraw/zinc/76/52/71/607765271.db2.gz QZNRJPIGDHCDBM-NSHDSACASA-N 1 0 379.446 -0.645 20 0 GBADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC([NH+](C)C)C1 ZINC000824641164 608208805 /nfs/dbraw/zinc/20/88/05/608208805.db2.gz SKSKCHHUWJBELJ-JTQLQIEISA-N 1 0 379.446 -0.694 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC([NH+](C)C)C1 ZINC000824641165 608208957 /nfs/dbraw/zinc/20/89/57/608208957.db2.gz SKSKCHHUWJBELJ-SNVBAGLBSA-N 1 0 379.446 -0.694 20 0 GBADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000824707506 607632131 /nfs/dbraw/zinc/63/21/31/607632131.db2.gz RSZVDHHCRUPFKJ-GFCCVEGCSA-N 1 0 395.489 -0.025 20 0 GBADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000824707507 607632169 /nfs/dbraw/zinc/63/21/69/607632169.db2.gz RSZVDHHCRUPFKJ-LBPRGKRZSA-N 1 0 395.489 -0.025 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000825001103 608179893 /nfs/dbraw/zinc/17/98/93/608179893.db2.gz XBATYJBYIKAVMW-KBPBESRZSA-N 1 0 398.475 -0.916 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000825001104 608180149 /nfs/dbraw/zinc/18/01/49/608180149.db2.gz XBATYJBYIKAVMW-KGLIPLIRSA-N 1 0 398.475 -0.916 20 0 GBADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000825001105 608179831 /nfs/dbraw/zinc/17/98/31/608179831.db2.gz XBATYJBYIKAVMW-UONOGXRCSA-N 1 0 398.475 -0.916 20 0 GBADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000825001106 608180175 /nfs/dbraw/zinc/18/01/75/608180175.db2.gz XBATYJBYIKAVMW-ZIAGYGMSSA-N 1 0 398.475 -0.916 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825119890 608205170 /nfs/dbraw/zinc/20/51/70/608205170.db2.gz FVFBDZCKIQHNHQ-HNNXBMFYSA-N 1 0 387.444 -0.488 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825119891 608205371 /nfs/dbraw/zinc/20/53/71/608205371.db2.gz FVFBDZCKIQHNHQ-OAHLLOKOSA-N 1 0 387.444 -0.488 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825412474 947180468 /nfs/dbraw/zinc/18/04/68/947180468.db2.gz PUMHAZGJKPPJOX-UHFFFAOYSA-N 1 0 390.448 -0.282 20 0 GBADRO CC[NH+]1CCN(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000825459815 608557789 /nfs/dbraw/zinc/55/77/89/608557789.db2.gz NTNOPSWZZHUIBT-UHFFFAOYSA-N 1 0 376.469 -0.800 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000825460401 608558913 /nfs/dbraw/zinc/55/89/13/608558913.db2.gz WBEBPKPNXWMTRU-UHFFFAOYSA-N 1 0 390.496 -0.409 20 0 GBADRO CCN1CCO[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825464472 607815533 /nfs/dbraw/zinc/81/55/33/607815533.db2.gz CYAVESSKKLREHY-AWEZNQCLSA-N 1 0 380.474 -0.049 20 0 GBADRO CCN1CCO[C@H](C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825464475 607816276 /nfs/dbraw/zinc/81/62/76/607816276.db2.gz CYAVESSKKLREHY-CQSZACIVSA-N 1 0 380.474 -0.049 20 0 GBADRO CCOC(=O)CN(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825512085 608034343 /nfs/dbraw/zinc/03/43/43/608034343.db2.gz SMUHCCOZKRUHAQ-UHFFFAOYSA-N 1 0 379.425 -0.942 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000825559408 638009712 /nfs/dbraw/zinc/00/97/12/638009712.db2.gz ZUQPHUYNWLGZHE-JTQLQIEISA-N 1 0 389.503 -0.343 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000825559412 638009887 /nfs/dbraw/zinc/00/98/87/638009887.db2.gz ZUQPHUYNWLGZHE-SNVBAGLBSA-N 1 0 389.503 -0.343 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000825602670 638009823 /nfs/dbraw/zinc/00/98/23/638009823.db2.gz LTGCSEXQAUMVCF-GFCCVEGCSA-N 1 0 375.495 -0.828 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000825602678 638009934 /nfs/dbraw/zinc/00/99/34/638009934.db2.gz LTGCSEXQAUMVCF-LBPRGKRZSA-N 1 0 375.495 -0.828 20 0 GBADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000825612194 638009963 /nfs/dbraw/zinc/00/99/63/638009963.db2.gz YUUQFTPNQFOHLK-UHFFFAOYSA-N 1 0 388.877 -0.248 20 0 GBADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000825620535 607776025 /nfs/dbraw/zinc/77/60/25/607776025.db2.gz DAEOJNVYNMVWIX-KRWDZBQOSA-N 1 0 391.432 -0.367 20 0 GBADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000825620536 607775777 /nfs/dbraw/zinc/77/57/77/607775777.db2.gz DAEOJNVYNMVWIX-QGZVFWFLSA-N 1 0 391.432 -0.367 20 0 GBADRO CCS(=O)(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825663559 607979190 /nfs/dbraw/zinc/97/91/90/607979190.db2.gz RMXUMJBCSFTCGL-UHFFFAOYSA-N 1 0 395.489 -0.304 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000825854929 607777197 /nfs/dbraw/zinc/77/71/97/607777197.db2.gz FCSAZCOVEVJMHD-KRWDZBQOSA-N 1 0 385.432 -0.323 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000825854930 607777181 /nfs/dbraw/zinc/77/71/81/607777181.db2.gz FCSAZCOVEVJMHD-QGZVFWFLSA-N 1 0 385.432 -0.323 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000825855022 607775800 /nfs/dbraw/zinc/77/58/00/607775800.db2.gz GEXRPTZKHWYUNW-HNNXBMFYSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000825855029 607776027 /nfs/dbraw/zinc/77/60/27/607776027.db2.gz GEXRPTZKHWYUNW-OAHLLOKOSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000825855561 608351574 /nfs/dbraw/zinc/35/15/74/608351574.db2.gz HSBKFTIRHSHKQO-JTQLQIEISA-N 1 0 375.437 -0.081 20 0 GBADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000825855565 608351770 /nfs/dbraw/zinc/35/17/70/608351770.db2.gz HSBKFTIRHSHKQO-SNVBAGLBSA-N 1 0 375.437 -0.081 20 0 GBADRO C[NH+](C)C1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825855832 608209611 /nfs/dbraw/zinc/20/96/11/608209611.db2.gz JTVPUYDBHRWKSX-AWEZNQCLSA-N 1 0 398.427 -0.156 20 0 GBADRO C[NH+](C)C1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825855833 608209429 /nfs/dbraw/zinc/20/94/29/608209429.db2.gz JTVPUYDBHRWKSX-CQSZACIVSA-N 1 0 398.427 -0.156 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825856053 607776811 /nfs/dbraw/zinc/77/68/11/607776811.db2.gz MJXXLTDLDWPTHS-INIZCTEOSA-N 1 0 396.473 -0.790 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825856054 607776789 /nfs/dbraw/zinc/77/67/89/607776789.db2.gz MJXXLTDLDWPTHS-MRXNPFEDSA-N 1 0 396.473 -0.790 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825856088 607775958 /nfs/dbraw/zinc/77/59/58/607775958.db2.gz NKZCHQNWVCSOPG-HNNXBMFYSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825856089 607775990 /nfs/dbraw/zinc/77/59/90/607775990.db2.gz NKZCHQNWVCSOPG-OAHLLOKOSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825856209 607775934 /nfs/dbraw/zinc/77/59/34/607775934.db2.gz RNUPSANUEMASNR-HNNXBMFYSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825856210 607775907 /nfs/dbraw/zinc/77/59/07/607775907.db2.gz RNUPSANUEMASNR-OAHLLOKOSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825856551 607775913 /nfs/dbraw/zinc/77/59/13/607775913.db2.gz WTISPMVAAKFEEZ-HNNXBMFYSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825856552 607775904 /nfs/dbraw/zinc/77/59/04/607775904.db2.gz WTISPMVAAKFEEZ-OAHLLOKOSA-N 1 0 381.824 -0.113 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000825856622 608358226 /nfs/dbraw/zinc/35/82/26/608358226.db2.gz YWJSAMFEPUPQMU-INIZCTEOSA-N 1 0 393.452 -0.815 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000825856623 608358363 /nfs/dbraw/zinc/35/83/63/608358363.db2.gz YWJSAMFEPUPQMU-MRXNPFEDSA-N 1 0 393.452 -0.815 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825859038 947347890 /nfs/dbraw/zinc/34/78/90/947347890.db2.gz CGPFGYKKVWYLBB-GFCCVEGCSA-N 1 0 381.462 -0.224 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825859047 947347759 /nfs/dbraw/zinc/34/77/59/947347759.db2.gz CGPFGYKKVWYLBB-LBPRGKRZSA-N 1 0 381.462 -0.224 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825860637 607748503 /nfs/dbraw/zinc/74/85/03/607748503.db2.gz UWCCSJABMRUSQL-LLVKDONJSA-N 1 0 381.462 -0.224 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000825860638 607748475 /nfs/dbraw/zinc/74/84/75/607748475.db2.gz UWCCSJABMRUSQL-NSHDSACASA-N 1 0 381.462 -0.224 20 0 GBADRO Cn1cnn(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000825865365 608865826 /nfs/dbraw/zinc/86/58/26/608865826.db2.gz AMNHMUVMNCAWRE-UHFFFAOYSA-N 1 0 385.432 -0.648 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825865432 607632137 /nfs/dbraw/zinc/63/21/37/607632137.db2.gz DXFVSSLRLVNEKY-UHFFFAOYSA-N 1 0 398.489 -0.431 20 0 GBADRO CN(C)S(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825865621 608147014 /nfs/dbraw/zinc/14/70/14/608147014.db2.gz ILEBPPZHNXHXRH-UHFFFAOYSA-N 1 0 395.489 -0.352 20 0 GBADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825865645 609366141 /nfs/dbraw/zinc/36/61/41/609366141.db2.gz JGFSQNAHCOBJDH-UHFFFAOYSA-N 1 0 387.379 -0.192 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825865971 607631926 /nfs/dbraw/zinc/63/19/26/607631926.db2.gz NWMZNFUJYLYTQM-UHFFFAOYSA-N 1 0 384.462 -0.572 20 0 GBADRO Cn1nnnc1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825866096 608272662 /nfs/dbraw/zinc/27/26/62/608272662.db2.gz QVTGOQNKPGRXJG-UHFFFAOYSA-N 1 0 399.463 -0.294 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825866185 607631837 /nfs/dbraw/zinc/63/18/37/607631837.db2.gz SLILRYDBYQTTEK-UHFFFAOYSA-N 1 0 384.462 -0.572 20 0 GBADRO Cn1cnn(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1=O ZINC000825866307 609450780 /nfs/dbraw/zinc/45/07/80/609450780.db2.gz VDMBMPDYFHWAKN-UHFFFAOYSA-N 1 0 385.432 -0.648 20 0 GBADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825866375 607632114 /nfs/dbraw/zinc/63/21/14/607632114.db2.gz XTWILMPXMMQJHO-UHFFFAOYSA-N 1 0 384.462 -0.572 20 0 GBADRO C[NH+](C)CCOCCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000825870357 609296349 /nfs/dbraw/zinc/29/63/49/609296349.db2.gz INMQCEPMKYDERA-UHFFFAOYSA-N 1 0 385.432 -0.057 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870358 607515903 /nfs/dbraw/zinc/51/59/03/607515903.db2.gz INVCVFDJEVAQCP-UHFFFAOYSA-N 1 0 383.416 -0.120 20 0 GBADRO C[NH+](C)CCOCCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825870380 609285086 /nfs/dbraw/zinc/28/50/86/609285086.db2.gz JSGHPODCYJJVBU-UHFFFAOYSA-N 1 0 396.473 -0.524 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)n1 ZINC000825870578 607515814 /nfs/dbraw/zinc/51/58/14/607515814.db2.gz SQOYNAVTBKVBEE-UHFFFAOYSA-N 1 0 383.416 -0.120 20 0 GBADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1=O ZINC000825870620 607881310 /nfs/dbraw/zinc/88/13/10/607881310.db2.gz VFIQMXDOJMKRCO-UHFFFAOYSA-N 1 0 390.429 -0.214 20 0 GBADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000825923862 607637680 /nfs/dbraw/zinc/63/76/80/607637680.db2.gz ZGYZPPKJZNFHAM-UHFFFAOYSA-N 1 0 381.462 -0.271 20 0 GBADRO Cn1cc(N2CCC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)cn1 ZINC000825933411 608034102 /nfs/dbraw/zinc/03/41/02/608034102.db2.gz DCNWLTKMYILBGJ-CYBMUJFWSA-N 1 0 399.463 -0.035 20 0 GBADRO Cn1cc(N2CCC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)cn1 ZINC000825933413 608033968 /nfs/dbraw/zinc/03/39/68/608033968.db2.gz DCNWLTKMYILBGJ-ZDUSSCGKSA-N 1 0 399.463 -0.035 20 0 GBADRO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCCN1C(=O)NC(C)(C)C1=O ZINC000825933744 608036849 /nfs/dbraw/zinc/03/68/49/608036849.db2.gz FTQPJOIWMQWLQF-UHFFFAOYSA-N 1 0 390.452 -0.243 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000825933900 608035931 /nfs/dbraw/zinc/03/59/31/608035931.db2.gz INMQPPMVYDDVSP-CYBMUJFWSA-N 1 0 389.464 -0.184 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000825933902 608035981 /nfs/dbraw/zinc/03/59/81/608035981.db2.gz INMQPPMVYDDVSP-ZDUSSCGKSA-N 1 0 389.464 -0.184 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NCC(=O)OC(C)(C)C ZINC000825933954 609600491 /nfs/dbraw/zinc/60/04/91/609600491.db2.gz JUYDUEDVSQUAJG-UHFFFAOYSA-N 1 0 393.452 -0.506 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000825933957 947375832 /nfs/dbraw/zinc/37/58/32/947375832.db2.gz KFPDRKXUJMKLRJ-NEPJUHHUSA-N 1 0 380.453 -0.407 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)COC[C@H]1CCCO1 ZINC000825933958 947374446 /nfs/dbraw/zinc/37/44/46/947374446.db2.gz KFPDRKXUJMKLRJ-NWDGAFQWSA-N 1 0 380.453 -0.407 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000825933959 947375069 /nfs/dbraw/zinc/37/50/69/947375069.db2.gz KFPDRKXUJMKLRJ-RYUDHWBXSA-N 1 0 380.453 -0.407 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000825933960 947374776 /nfs/dbraw/zinc/37/47/76/947374776.db2.gz KFPDRKXUJMKLRJ-VXGBXAGGSA-N 1 0 380.453 -0.407 20 0 GBADRO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825934655 608034651 /nfs/dbraw/zinc/03/46/51/608034651.db2.gz PNNLVBORGRDQNU-UHFFFAOYSA-N 1 0 387.452 -0.572 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000825934707 608256354 /nfs/dbraw/zinc/25/63/54/608256354.db2.gz QHFGLIKXRARMLV-CYBMUJFWSA-N 1 0 389.464 -0.326 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000825934708 608256465 /nfs/dbraw/zinc/25/64/65/608256465.db2.gz QHFGLIKXRARMLV-ZDUSSCGKSA-N 1 0 389.464 -0.326 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCN1C(=O)NC(C)(C)C1=O ZINC000825935119 608034513 /nfs/dbraw/zinc/03/45/13/608034513.db2.gz VDPYVNFDMJHNMM-UHFFFAOYSA-N 1 0 376.425 -0.633 20 0 GBADRO Cn1ccc(N2CCC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n1 ZINC000825935125 608037014 /nfs/dbraw/zinc/03/70/14/608037014.db2.gz VIQPYDRXILWANP-GFCCVEGCSA-N 1 0 399.463 -0.035 20 0 GBADRO Cn1ccc(N2CCC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n1 ZINC000825935127 608037090 /nfs/dbraw/zinc/03/70/90/608037090.db2.gz VIQPYDRXILWANP-LBPRGKRZSA-N 1 0 399.463 -0.035 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1nc2ccccn2c1=O ZINC000825935186 608034681 /nfs/dbraw/zinc/03/46/81/608034681.db2.gz WKCPPLLRNAYSDL-UHFFFAOYSA-N 1 0 383.420 -0.454 20 0 GBADRO Cn1cc(N2CC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)cn1 ZINC000825935249 608037517 /nfs/dbraw/zinc/03/75/17/608037517.db2.gz XMNFUEWBSFYIGW-GFCCVEGCSA-N 1 0 385.436 -0.425 20 0 GBADRO Cn1cc(N2CC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)cn1 ZINC000825935250 608037318 /nfs/dbraw/zinc/03/73/18/608037318.db2.gz XMNFUEWBSFYIGW-LBPRGKRZSA-N 1 0 385.436 -0.425 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NCC(=O)NC(C)(C)C ZINC000825935261 608037246 /nfs/dbraw/zinc/03/72/46/608037246.db2.gz XZAYIDXJZIDSLF-UHFFFAOYSA-N 1 0 392.468 -0.933 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000825935299 608037280 /nfs/dbraw/zinc/03/72/80/608037280.db2.gz ZGWGZPJXXQYJGC-LLVKDONJSA-N 1 0 397.509 -0.292 20 0 GBADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000825935300 608037399 /nfs/dbraw/zinc/03/73/99/608037399.db2.gz ZGWGZPJXXQYJGC-NSHDSACASA-N 1 0 397.509 -0.292 20 0 GBADRO C[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1)C1CC1 ZINC000825938021 608353300 /nfs/dbraw/zinc/35/33/00/608353300.db2.gz MSJPJXSSPALNFU-UHFFFAOYSA-N 1 0 375.437 -0.033 20 0 GBADRO C[N@H+](CCO)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000825941699 609316563 /nfs/dbraw/zinc/31/65/63/609316563.db2.gz NNMNMGCIZHBWCU-UHFFFAOYSA-N 1 0 381.462 -0.593 20 0 GBADRO CN(CCN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C1CC[NH+](C)CC1 ZINC000826021627 608418166 /nfs/dbraw/zinc/41/81/66/608418166.db2.gz AXMGVKHMMMVACA-UHFFFAOYSA-N 1 0 394.505 -0.092 20 0 GBADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826028505 608334490 /nfs/dbraw/zinc/33/44/90/608334490.db2.gz BKQFOPUXUBNNQW-UHFFFAOYSA-N 1 0 384.437 -0.118 20 0 GBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826029036 608350577 /nfs/dbraw/zinc/35/05/77/608350577.db2.gz MZSNLDONMIFFAE-JTQLQIEISA-N 1 0 375.437 -0.033 20 0 GBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826029037 608350677 /nfs/dbraw/zinc/35/06/77/608350677.db2.gz MZSNLDONMIFFAE-SNVBAGLBSA-N 1 0 375.437 -0.033 20 0 GBADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000826033314 608353517 /nfs/dbraw/zinc/35/35/17/608353517.db2.gz ADCQEXOOZIOHPW-JTQLQIEISA-N 1 0 375.437 -0.033 20 0 GBADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000826033315 608353579 /nfs/dbraw/zinc/35/35/79/608353579.db2.gz ADCQEXOOZIOHPW-SNVBAGLBSA-N 1 0 375.437 -0.033 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826033429 609250820 /nfs/dbraw/zinc/25/08/20/609250820.db2.gz CWKXEVLDJKVMCY-CVEARBPZSA-N 1 0 399.455 -0.335 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826033430 609250827 /nfs/dbraw/zinc/25/08/27/609250827.db2.gz CWKXEVLDJKVMCY-HOTGVXAUSA-N 1 0 399.455 -0.335 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826033431 609250655 /nfs/dbraw/zinc/25/06/55/609250655.db2.gz CWKXEVLDJKVMCY-HZPDHXFCSA-N 1 0 399.455 -0.335 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826033432 609250825 /nfs/dbraw/zinc/25/08/25/609250825.db2.gz CWKXEVLDJKVMCY-JKSUJKDBSA-N 1 0 399.455 -0.335 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)CN2CCOCC2)c1-c1nn[nH]n1 ZINC000826073017 947421738 /nfs/dbraw/zinc/42/17/38/947421738.db2.gz ASNJMEQDONZJOX-LLVKDONJSA-N 1 0 377.453 -0.351 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CN2CCOCC2)c1-c1nn[nH]n1 ZINC000826073018 947422316 /nfs/dbraw/zinc/42/23/16/947422316.db2.gz ASNJMEQDONZJOX-NSHDSACASA-N 1 0 377.453 -0.351 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)CC(=O)NC(C)C)c1-c1nn[nH]n1 ZINC000826077372 608022195 /nfs/dbraw/zinc/02/21/95/608022195.db2.gz GBZYJQWNSXTVCP-UHFFFAOYSA-N 1 0 392.468 -0.863 20 0 GBADRO 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608022036 /nfs/dbraw/zinc/02/20/36/608022036.db2.gz XFADSFKRBFHOJN-UHFFFAOYSA-N 1 0 399.415 -0.184 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(C(N)=O)cc2)c1-c1nn[nH]n1 ZINC000826077844 608018629 /nfs/dbraw/zinc/01/86/29/608018629.db2.gz XNMYXRWJGDGQID-UHFFFAOYSA-N 1 0 399.415 -0.142 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1-c1nn[nH]n1 ZINC000826077845 608018837 /nfs/dbraw/zinc/01/88/37/608018837.db2.gz XOQZDRVEFBNYDI-JTQLQIEISA-N 1 0 397.465 -0.896 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c1-c1nn[nH]n1 ZINC000826077846 608018909 /nfs/dbraw/zinc/01/89/09/608018909.db2.gz XOQZDRVEFBNYDI-SNVBAGLBSA-N 1 0 397.465 -0.896 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccccn2)c1-c1nn[nH]n1 ZINC000826077886 608022248 /nfs/dbraw/zinc/02/22/48/608022248.db2.gz YSALAUSSTDVPOI-UHFFFAOYSA-N 1 0 384.404 -0.495 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1-c1nn[nH]n1 ZINC000826077911 608022201 /nfs/dbraw/zinc/02/22/01/608022201.db2.gz ZZGPLKLCNKZJII-JTQLQIEISA-N 1 0 391.436 -0.825 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)c1-c1nn[nH]n1 ZINC000826077912 608022021 /nfs/dbraw/zinc/02/20/21/608022021.db2.gz ZZGPLKLCNKZJII-SNVBAGLBSA-N 1 0 391.436 -0.825 20 0 GBADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826082793 607556330 /nfs/dbraw/zinc/55/63/30/607556330.db2.gz AYKGRELKWNSPRX-CYBMUJFWSA-N 1 0 379.446 -0.181 20 0 GBADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826082795 607556224 /nfs/dbraw/zinc/55/62/24/607556224.db2.gz AYKGRELKWNSPRX-ZDUSSCGKSA-N 1 0 379.446 -0.181 20 0 GBADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000826082850 607555143 /nfs/dbraw/zinc/55/51/43/607555143.db2.gz BTOYDQYJBPSAAA-LLVKDONJSA-N 1 0 379.446 -0.181 20 0 GBADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000826082851 607554712 /nfs/dbraw/zinc/55/47/12/607554712.db2.gz BTOYDQYJBPSAAA-NSHDSACASA-N 1 0 379.446 -0.181 20 0 GBADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826083743 607556039 /nfs/dbraw/zinc/55/60/39/607556039.db2.gz PNKQJNDRDCMYLA-CYBMUJFWSA-N 1 0 379.446 -0.181 20 0 GBADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826083744 607556345 /nfs/dbraw/zinc/55/63/45/607556345.db2.gz PNKQJNDRDCMYLA-ZDUSSCGKSA-N 1 0 379.446 -0.181 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)c1-c1nn[nH]n1 ZINC000826083770 608021583 /nfs/dbraw/zinc/02/15/83/608021583.db2.gz QEEKPMHSUMURNL-UHFFFAOYSA-N 1 0 395.383 -0.122 20 0 GBADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000826083772 607556497 /nfs/dbraw/zinc/55/64/97/607556497.db2.gz QFPSEOYBXJFJOQ-SECBINFHSA-N 1 0 385.475 -0.120 20 0 GBADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000826083773 607556061 /nfs/dbraw/zinc/55/60/61/607556061.db2.gz QFPSEOYBXJFJOQ-VIFPVBQESA-N 1 0 385.475 -0.120 20 0 GBADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cnnn3)cc2)c1-c1nn[nH]n1 ZINC000826083967 608019086 /nfs/dbraw/zinc/01/90/86/608019086.db2.gz SMUCMYRMSIPYMT-UHFFFAOYSA-N 1 0 394.403 -0.030 20 0 GBADRO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826112346 607525841 /nfs/dbraw/zinc/52/58/41/607525841.db2.gz YHBGSDBNVWDGQS-GDBMZVCRSA-N 1 0 391.428 -0.148 20 0 GBADRO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826112347 607525749 /nfs/dbraw/zinc/52/57/49/607525749.db2.gz YHBGSDBNVWDGQS-GOEBONIOSA-N 1 0 391.428 -0.148 20 0 GBADRO COC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826112348 607525941 /nfs/dbraw/zinc/52/59/41/607525941.db2.gz YHBGSDBNVWDGQS-HOCLYGCPSA-N 1 0 391.428 -0.148 20 0 GBADRO COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826112349 607525735 /nfs/dbraw/zinc/52/57/35/607525735.db2.gz YHBGSDBNVWDGQS-ZBFHGGJFSA-N 1 0 391.428 -0.148 20 0 GBADRO COCC(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826147646 607979483 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392.468 -0.533 20 0 GBADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000826159798 609302498 /nfs/dbraw/zinc/30/24/98/609302498.db2.gz SPIKIRZARMVDOE-NSHDSACASA-N 1 0 392.468 -0.533 20 0 GBADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826160258 947503540 /nfs/dbraw/zinc/50/35/40/947503540.db2.gz LJXKVOQMEXUYBV-JSGCOSHPSA-N 1 0 391.480 -0.128 20 0 GBADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826160259 947502514 /nfs/dbraw/zinc/50/25/14/947502514.db2.gz LJXKVOQMEXUYBV-OCCSQVGLSA-N 1 0 391.480 -0.128 20 0 GBADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000826169651 608361737 /nfs/dbraw/zinc/36/17/37/608361737.db2.gz ZWHCNUMLSRYMEK-LLVKDONJSA-N 1 0 381.462 -0.120 20 0 GBADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000826169652 608361363 /nfs/dbraw/zinc/36/13/63/608361363.db2.gz ZWHCNUMLSRYMEK-NSHDSACASA-N 1 0 381.462 -0.120 20 0 GBADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000826176077 608037299 /nfs/dbraw/zinc/03/72/99/608037299.db2.gz ZMEDRSQYQZUCEN-UHFFFAOYSA-N 1 0 387.400 -0.072 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000826182287 607526877 /nfs/dbraw/zinc/52/68/77/607526877.db2.gz GKDYTSSUSPHUQC-LLVKDONJSA-N 1 0 381.462 -0.120 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000826182288 607526874 /nfs/dbraw/zinc/52/68/74/607526874.db2.gz GKDYTSSUSPHUQC-NSHDSACASA-N 1 0 381.462 -0.120 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826185830 607775950 /nfs/dbraw/zinc/77/59/50/607775950.db2.gz VSUXOFZPUDGYOG-INIZCTEOSA-N 1 0 377.405 -0.757 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826185831 607775818 /nfs/dbraw/zinc/77/58/18/607775818.db2.gz VSUXOFZPUDGYOG-MRXNPFEDSA-N 1 0 377.405 -0.757 20 0 GBADRO COc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1-c1nn[nH]n1 ZINC000826194282 607499740 /nfs/dbraw/zinc/49/97/40/607499740.db2.gz HSPLXWRWMHBUTI-GFCCVEGCSA-N 1 0 381.462 -0.120 20 0 GBADRO COc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1-c1nn[nH]n1 ZINC000826194283 607499604 /nfs/dbraw/zinc/49/96/04/607499604.db2.gz HSPLXWRWMHBUTI-LBPRGKRZSA-N 1 0 381.462 -0.120 20 0 GBADRO COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000826196253 607627750 /nfs/dbraw/zinc/62/77/50/607627750.db2.gz VRIVMUJRSGXGSK-CYBMUJFWSA-N 1 0 387.444 -0.098 20 0 GBADRO COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000826196254 607627634 /nfs/dbraw/zinc/62/76/34/607627634.db2.gz VRIVMUJRSGXGSK-ZDUSSCGKSA-N 1 0 387.444 -0.098 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826223199 607812998 /nfs/dbraw/zinc/81/29/98/607812998.db2.gz DVCJVUQEYVIAMI-GHMZBOCLSA-N 1 0 381.466 -0.882 20 0 GBADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826223200 607812962 /nfs/dbraw/zinc/81/29/62/607812962.db2.gz 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CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226593 608382558 /nfs/dbraw/zinc/38/25/58/608382558.db2.gz CEYFFBGGAUMBNQ-QWHCGFSZSA-N 1 0 383.503 -0.004 20 0 GBADRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226594 608382693 /nfs/dbraw/zinc/38/26/93/608382693.db2.gz CEYFFBGGAUMBNQ-STQMWFEESA-N 1 0 383.503 -0.004 20 0 GBADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000826255329 607632664 /nfs/dbraw/zinc/63/26/64/607632664.db2.gz UCRRUTXULRUUFP-UHFFFAOYSA-N 1 0 398.489 -0.264 20 0 GBADRO Cc1cc(N2CC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n(C)n1 ZINC000826269469 608035128 /nfs/dbraw/zinc/03/51/28/608035128.db2.gz NDOQKMHURSNZKU-GFCCVEGCSA-N 1 0 399.463 -0.116 20 0 GBADRO Cc1cc(N2CC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)n(C)n1 ZINC000826269470 608035087 /nfs/dbraw/zinc/03/50/87/608035087.db2.gz NDOQKMHURSNZKU-LBPRGKRZSA-N 1 0 399.463 -0.116 20 0 GBADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C 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/nfs/dbraw/zinc/04/41/31/608044131.db2.gz IJHJCVQEPZVATQ-CMPLNLGQSA-N 1 0 376.421 -0.733 20 0 GBADRO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)CC2)o1 ZINC000826322942 608044381 /nfs/dbraw/zinc/04/43/81/608044381.db2.gz IJHJCVQEPZVATQ-JQWIXIFHSA-N 1 0 376.421 -0.733 20 0 GBADRO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)o1 ZINC000826322943 608044412 /nfs/dbraw/zinc/04/44/12/608044412.db2.gz IJHJCVQEPZVATQ-PWSUYJOCSA-N 1 0 376.421 -0.733 20 0 GBADRO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3C)CC2)o1 ZINC000826322944 608044284 /nfs/dbraw/zinc/04/42/84/608044284.db2.gz IJHJCVQEPZVATQ-ZYHUDNBSSA-N 1 0 376.421 -0.733 20 0 GBADRO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)o1 ZINC000826323101 608585252 /nfs/dbraw/zinc/58/52/52/608585252.db2.gz QCFBDKSOZRBRBX-CMPLNLGQSA-N 1 0 376.421 -0.876 20 0 GBADRO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)o1 ZINC000826323102 608585405 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Cn1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(=O)n(C)c1=O ZINC000826361248 608585292 /nfs/dbraw/zinc/58/52/92/608585292.db2.gz QQVGQMLIKBZTIS-UHFFFAOYSA-N 1 0 396.455 -0.024 20 0 GBADRO Cn1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(=O)n(C)c1=O ZINC000826361297 608515352 /nfs/dbraw/zinc/51/53/52/608515352.db2.gz SAACSGUFJJPWPN-UHFFFAOYSA-N 1 0 382.428 -0.414 20 0 GBADRO Cn1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(=O)n(C)c1=O ZINC000826361346 608503153 /nfs/dbraw/zinc/50/31/53/608503153.db2.gz UDHSVTHKOFAVFP-UHFFFAOYSA-N 1 0 396.455 -0.418 20 0 GBADRO Cn1cc(C[NH2+]CCNS(C)(=O)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361519 948131010 /nfs/dbraw/zinc/13/10/10/948131010.db2.gz AORMGUICLUXJOZ-UHFFFAOYSA-N 1 0 376.446 -0.094 20 0 GBADRO Cn1cnn(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1=O ZINC000826365377 608865810 /nfs/dbraw/zinc/86/58/10/608865810.db2.gz LORXZUPNVYRSBL-UHFFFAOYSA-N 1 0 397.443 -0.504 20 0 GBADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389255 608453990 /nfs/dbraw/zinc/45/39/90/608453990.db2.gz SXTRDOJAKDXTDL-CVEARBPZSA-N 1 0 398.471 -0.193 20 0 GBADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389256 608454185 /nfs/dbraw/zinc/45/41/85/608454185.db2.gz SXTRDOJAKDXTDL-HOTGVXAUSA-N 1 0 398.471 -0.193 20 0 GBADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000826389257 608453996 /nfs/dbraw/zinc/45/39/96/608453996.db2.gz SXTRDOJAKDXTDL-HZPDHXFCSA-N 1 0 398.471 -0.193 20 0 GBADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000826389258 608454092 /nfs/dbraw/zinc/45/40/92/608454092.db2.gz SXTRDOJAKDXTDL-JKSUJKDBSA-N 1 0 398.471 -0.193 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000826390313 607605501 /nfs/dbraw/zinc/60/55/01/607605501.db2.gz WMOHIJAGSCDZSM-GFCCVEGCSA-N 1 0 393.473 -0.268 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000826390314 607605270 /nfs/dbraw/zinc/60/52/70/607605270.db2.gz WMOHIJAGSCDZSM-LBPRGKRZSA-N 1 0 393.473 -0.268 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390374 609219404 /nfs/dbraw/zinc/21/94/04/609219404.db2.gz XWWRTAZMNAMINV-CABCVRRESA-N 1 0 387.444 -0.396 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390375 609219491 /nfs/dbraw/zinc/21/94/91/609219491.db2.gz XWWRTAZMNAMINV-GJZGRUSLSA-N 1 0 387.444 -0.396 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390376 609219721 /nfs/dbraw/zinc/21/97/21/609219721.db2.gz XWWRTAZMNAMINV-HUUCEWRRSA-N 1 0 387.444 -0.396 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826390377 609219426 /nfs/dbraw/zinc/21/94/26/609219426.db2.gz XWWRTAZMNAMINV-LSDHHAIUSA-N 1 0 387.444 -0.396 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390403 609219916 /nfs/dbraw/zinc/21/99/16/609219916.db2.gz YQDDOSCKUSHASB-CVEARBPZSA-N 1 0 399.455 -0.159 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390404 609219536 /nfs/dbraw/zinc/21/95/36/609219536.db2.gz YQDDOSCKUSHASB-HOTGVXAUSA-N 1 0 399.455 -0.159 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390405 609219861 /nfs/dbraw/zinc/21/98/61/609219861.db2.gz YQDDOSCKUSHASB-HZPDHXFCSA-N 1 0 399.455 -0.159 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826390406 609219703 /nfs/dbraw/zinc/21/97/03/609219703.db2.gz YQDDOSCKUSHASB-JKSUJKDBSA-N 1 0 399.455 -0.159 20 0 GBADRO NC(=O)NC(=O)OCCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826391776 608258859 /nfs/dbraw/zinc/25/88/59/608258859.db2.gz BCRZADFUDFSBFO-UHFFFAOYSA-N 1 0 375.393 -0.421 20 0 GBADRO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826391891 607958814 /nfs/dbraw/zinc/95/88/14/607958814.db2.gz FWDNTTHCJPIBGK-UHFFFAOYSA-N 1 0 375.393 -0.421 20 0 GBADRO NS(=O)(=O)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826394516 608040460 /nfs/dbraw/zinc/04/04/60/608040460.db2.gz MTYNUMVZIXSSKU-UHFFFAOYSA-N 1 0 379.446 -0.052 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826394834 607848884 /nfs/dbraw/zinc/84/88/84/607848884.db2.gz AXGAVEFUAILJLF-LLVKDONJSA-N 1 0 379.446 -0.575 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826394835 607848873 /nfs/dbraw/zinc/84/88/73/607848873.db2.gz AXGAVEFUAILJLF-NSHDSACASA-N 1 0 379.446 -0.575 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826398699 608119202 /nfs/dbraw/zinc/11/92/02/608119202.db2.gz CMRSYSZTANILEQ-HNNXBMFYSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826398700 608119162 /nfs/dbraw/zinc/11/91/62/608119162.db2.gz CMRSYSZTANILEQ-OAHLLOKOSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826398956 608121648 /nfs/dbraw/zinc/12/16/48/608121648.db2.gz JIBQVKYPQYMPON-KRWDZBQOSA-N 1 0 382.472 -0.095 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826398957 608121659 /nfs/dbraw/zinc/12/16/59/608121659.db2.gz JIBQVKYPQYMPON-QGZVFWFLSA-N 1 0 382.472 -0.095 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398960 608109558 /nfs/dbraw/zinc/10/95/58/608109558.db2.gz JILWDCLKRDMYLP-GOSISDBHSA-N 1 0 396.499 -0.099 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398961 608109687 /nfs/dbraw/zinc/10/96/87/608109687.db2.gz JILWDCLKRDMYLP-SFHVURJKSA-N 1 0 396.499 -0.099 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826399330 608109146 /nfs/dbraw/zinc/10/91/46/608109146.db2.gz SWDXFELGQOVJPV-HNNXBMFYSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826399331 608109072 /nfs/dbraw/zinc/10/90/72/608109072.db2.gz SWDXFELGQOVJPV-OAHLLOKOSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826399428 608114118 /nfs/dbraw/zinc/11/41/18/608114118.db2.gz VRZJIGCRDBTAES-HNNXBMFYSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826399429 608114382 /nfs/dbraw/zinc/11/43/82/608114382.db2.gz VRZJIGCRDBTAES-OAHLLOKOSA-N 1 0 383.460 -0.700 20 0 GBADRO O=C(CC[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407760 608037576 /nfs/dbraw/zinc/03/75/76/608037576.db2.gz ZTSPJHPBGGGVMQ-UHFFFAOYSA-N 1 0 384.400 -0.131 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826410086 609223498 /nfs/dbraw/zinc/22/34/98/609223498.db2.gz ANIWGPYPXBSTJA-KRWDZBQOSA-N 1 0 399.455 -0.333 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826410087 609223310 /nfs/dbraw/zinc/22/33/10/609223310.db2.gz ANIWGPYPXBSTJA-QGZVFWFLSA-N 1 0 399.455 -0.333 20 0 GBADRO O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000826431570 608121529 /nfs/dbraw/zinc/12/15/29/608121529.db2.gz FVORPQNHBOPZSA-INIZCTEOSA-N 1 0 397.487 -0.263 20 0 GBADRO O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000826431571 608121534 /nfs/dbraw/zinc/12/15/34/608121534.db2.gz FVORPQNHBOPZSA-MRXNPFEDSA-N 1 0 397.487 -0.263 20 0 GBADRO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481972 948396619 /nfs/dbraw/zinc/39/66/19/948396619.db2.gz OCVZQWIEVIHGOA-ACJLOTCBSA-N 1 0 396.411 -0.354 20 0 GBADRO O=C1NC(=O)[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481973 948396350 /nfs/dbraw/zinc/39/63/50/948396350.db2.gz OCVZQWIEVIHGOA-FZKQIMNGSA-N 1 0 396.411 -0.354 20 0 GBADRO O=C1NC(=O)[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481974 948396133 /nfs/dbraw/zinc/39/61/33/948396133.db2.gz OCVZQWIEVIHGOA-SCLBCKFNSA-N 1 0 396.411 -0.354 20 0 GBADRO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)N1 ZINC000826481975 948395304 /nfs/dbraw/zinc/39/53/04/948395304.db2.gz OCVZQWIEVIHGOA-UGSOOPFHSA-N 1 0 396.411 -0.354 20 0 GBADRO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826482235 607964626 /nfs/dbraw/zinc/96/46/26/607964626.db2.gz WWISPMJQDHWDML-AWEZNQCLSA-N 1 0 398.427 -0.501 20 0 GBADRO O=S(=O)(CC[NH2+]CCCN1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485081 607814400 /nfs/dbraw/zinc/81/44/00/607814400.db2.gz BIONRJGOQAEBID-UHFFFAOYSA-N 1 0 380.474 -0.048 20 0 GBADRO O=S(=O)(CC[NH2+][C@H]1CCCN(CCO)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485180 607815699 /nfs/dbraw/zinc/81/56/99/607815699.db2.gz GBNDFPCFXHDBLH-AWEZNQCLSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(CC[NH2+][C@@H]1CCCN(CCO)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485181 607815629 /nfs/dbraw/zinc/81/56/29/607815629.db2.gz GBNDFPCFXHDBLH-CQSZACIVSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(CC[NH2+]C1CCN(CCO)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485383 607815580 /nfs/dbraw/zinc/81/55/80/607815580.db2.gz OKQQWSNSCFESJP-UHFFFAOYSA-N 1 0 380.474 -0.313 20 0 GBADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC1CC[NH+](CCO)CC1 ZINC000826486235 608335262 /nfs/dbraw/zinc/33/52/62/608335262.db2.gz UXYGJKSVEKKNRG-UHFFFAOYSA-N 1 0 384.437 -0.118 20 0 GBADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826490931 607634285 /nfs/dbraw/zinc/63/42/85/607634285.db2.gz NCMRKYPIDSMBSX-GFCCVEGCSA-N 1 0 381.462 -0.223 20 0 GBADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826490932 607634701 /nfs/dbraw/zinc/63/47/01/607634701.db2.gz NCMRKYPIDSMBSX-LBPRGKRZSA-N 1 0 381.462 -0.223 20 0 GBADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCCNS(=O)(=O)NC(C)C)C[C@@H]1C ZINC000826993849 638012594 /nfs/dbraw/zinc/01/25/94/638012594.db2.gz WLIVMNPOFLRGLQ-OKILXGFUSA-N 1 0 379.527 -0.431 20 0 GBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000827306079 638013168 /nfs/dbraw/zinc/01/31/68/638013168.db2.gz COLQPKRODPKNRL-UHFFFAOYSA-N 1 0 389.499 -0.420 20 0 GBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000827306549 638013202 /nfs/dbraw/zinc/01/32/02/638013202.db2.gz IFLLAMJQFFAJGE-GFCCVEGCSA-N 1 0 389.499 -0.421 20 0 GBADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000827306550 638013261 /nfs/dbraw/zinc/01/32/61/638013261.db2.gz IFLLAMJQFFAJGE-LBPRGKRZSA-N 1 0 389.499 -0.421 20 0 GBADRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000827307328 638013123 /nfs/dbraw/zinc/01/31/23/638013123.db2.gz PGZYPRAZOAZHLN-UHFFFAOYSA-N 1 0 389.499 -0.549 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000827325853 638013067 /nfs/dbraw/zinc/01/30/67/638013067.db2.gz DMOHXSSHMRZKRT-CHWSQXEVSA-N 1 0 375.491 -0.706 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000827325865 638013282 /nfs/dbraw/zinc/01/32/82/638013282.db2.gz DMOHXSSHMRZKRT-OLZOCXBDSA-N 1 0 375.491 -0.706 20 0 GBADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000827325869 638013056 /nfs/dbraw/zinc/01/30/56/638013056.db2.gz DMOHXSSHMRZKRT-QWHCGFSZSA-N 1 0 375.491 -0.706 20 0 GBADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000827325873 638012976 /nfs/dbraw/zinc/01/29/76/638012976.db2.gz DMOHXSSHMRZKRT-STQMWFEESA-N 1 0 375.491 -0.706 20 0 GBADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCS(C)(=O)=O)CC2)CC1 ZINC000827753049 638014349 /nfs/dbraw/zinc/01/43/49/638014349.db2.gz HUONXOACEXKVFP-UHFFFAOYSA-N 1 0 381.564 -0.147 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000828081913 638015078 /nfs/dbraw/zinc/01/50/78/638015078.db2.gz FEDPYRRHKFAVBI-CYBMUJFWSA-N 1 0 376.479 -0.878 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000828081916 638015116 /nfs/dbraw/zinc/01/51/16/638015116.db2.gz FEDPYRRHKFAVBI-ZDUSSCGKSA-N 1 0 376.479 -0.878 20 0 GBADRO CN1C[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000828195606 1073323005 /nfs/dbraw/zinc/32/30/05/1073323005.db2.gz FMFBEBSIXBKLDC-AWEZNQCLSA-N 1 0 398.504 -0.021 20 0 GBADRO CN1C[C@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000828195608 1073322997 /nfs/dbraw/zinc/32/29/97/1073322997.db2.gz FMFBEBSIXBKLDC-CQSZACIVSA-N 1 0 398.504 -0.021 20 0 GBADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)N1CCC3(CC1)OCCO3)CCO2 ZINC000828252462 638015893 /nfs/dbraw/zinc/01/58/93/638015893.db2.gz WEJQEKFBXMOTOJ-UHFFFAOYSA-N 1 0 375.491 -0.133 20 0 GBADRO C[NH+]1CCC(C(=O)NCC(CNC(=O)C2CC[NH+](C)CC2)NC(=O)[O-])CC1 ZINC000828460595 603870802 /nfs/dbraw/zinc/87/08/02/603870802.db2.gz VZEKBRGYJRCFBQ-UHFFFAOYSA-N 1 0 383.493 -0.461 20 0 GBADRO C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000828481418 605767593 /nfs/dbraw/zinc/76/75/93/605767593.db2.gz OKBOPIGPVOOHKF-KFWWJZLASA-N 1 0 381.477 -0.518 20 0 GBADRO C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000828481419 605767391 /nfs/dbraw/zinc/76/73/91/605767391.db2.gz OKBOPIGPVOOHKF-RBSFLKMASA-N 1 0 381.477 -0.518 20 0 GBADRO C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000828481420 605767561 /nfs/dbraw/zinc/76/75/61/605767561.db2.gz OKBOPIGPVOOHKF-RRFJBIMHSA-N 1 0 381.477 -0.518 20 0 GBADRO C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000828481421 605767521 /nfs/dbraw/zinc/76/75/21/605767521.db2.gz OKBOPIGPVOOHKF-ZNMIVQPWSA-N 1 0 381.477 -0.518 20 0 GBADRO C[NH+]1CCCC[C@H]1C(=O)NCC(CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[O-] ZINC000828487737 603638537 /nfs/dbraw/zinc/63/85/37/603638537.db2.gz KJGYGINVQFMGFA-GJZGRUSLSA-N 1 0 383.493 -0.176 20 0 GBADRO C[NH+]1CCCC[C@@H]1C(=O)NCC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)[O-] ZINC000828487738 603637980 /nfs/dbraw/zinc/63/79/80/603637980.db2.gz KJGYGINVQFMGFA-HUUCEWRRSA-N 1 0 383.493 -0.176 20 0 GBADRO C[NH+]1CCCC[C@H]1C(=O)NC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)[O-] ZINC000828487739 603637912 /nfs/dbraw/zinc/63/79/12/603637912.db2.gz KJGYGINVQFMGFA-QDMKHBRRSA-N 1 0 383.493 -0.176 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829256736 638019146 /nfs/dbraw/zinc/01/91/46/638019146.db2.gz BBWPKMWPAVSKJW-UHFFFAOYSA-N 1 0 377.507 -0.487 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829257569 638019107 /nfs/dbraw/zinc/01/91/07/638019107.db2.gz LVNCDGUNWGJDEG-UHFFFAOYSA-N 1 0 377.507 -0.487 20 0 GBADRO Cn1cc(Br)c(C(=O)NCC[N@H+](C)CCOCCO)cc1=O ZINC000829445328 638019170 /nfs/dbraw/zinc/01/91/70/638019170.db2.gz WFRAHRVWXNXWQW-UHFFFAOYSA-N 1 0 376.251 -0.182 20 0 GBADRO COC(=O)CC[C@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829446818 638019004 /nfs/dbraw/zinc/01/90/04/638019004.db2.gz AMBRHLNBWMGBJB-JTQLQIEISA-N 1 0 389.396 -0.055 20 0 GBADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829446825 638019223 /nfs/dbraw/zinc/01/92/23/638019223.db2.gz AMBRHLNBWMGBJB-SNVBAGLBSA-N 1 0 389.396 -0.055 20 0 GBADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829447557 638019121 /nfs/dbraw/zinc/01/91/21/638019121.db2.gz MJVIABYCUTVJAW-VIFPVBQESA-N 1 0 375.369 -0.445 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000829518849 638019099 /nfs/dbraw/zinc/01/90/99/638019099.db2.gz ITCGUVCLQNARBV-LLVKDONJSA-N 1 0 382.433 -0.765 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000829518850 638019103 /nfs/dbraw/zinc/01/91/03/638019103.db2.gz ITCGUVCLQNARBV-NSHDSACASA-N 1 0 382.433 -0.765 20 0 GBADRO COCC[N@H+]1[C@H](C)CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000830048864 638020176 /nfs/dbraw/zinc/02/01/76/638020176.db2.gz OBTPUIGNIWRHFJ-GASCZTMLSA-N 1 0 378.539 -0.575 20 0 GBADRO Cn1c2c(nc(Br)n2Cc2nc(C(C)(C)[NH3+])no2)c(=O)n(C)c1=O ZINC000830291031 638021974 /nfs/dbraw/zinc/02/19/74/638021974.db2.gz JDZBBZDSNUXNHP-UHFFFAOYSA-N 1 0 398.221 -0.179 20 0 GBADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc(Cl)n1 ZINC000830703995 638023131 /nfs/dbraw/zinc/02/31/31/638023131.db2.gz TYBAPQIJJQSVNE-CYBMUJFWSA-N 1 0 389.909 -0.134 20 0 GBADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc(Cl)n1 ZINC000830703996 638023025 /nfs/dbraw/zinc/02/30/25/638023025.db2.gz TYBAPQIJJQSVNE-ZDUSSCGKSA-N 1 0 389.909 -0.134 20 0 GBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000831190861 638024250 /nfs/dbraw/zinc/02/42/50/638024250.db2.gz ARGFYHBBKFTTFY-JTQLQIEISA-N 1 0 386.396 -0.715 20 0 GBADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000831190862 638024213 /nfs/dbraw/zinc/02/42/13/638024213.db2.gz ARGFYHBBKFTTFY-SNVBAGLBSA-N 1 0 386.396 -0.715 20 0 GBADRO [NH3+]CCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000831252891 638024600 /nfs/dbraw/zinc/02/46/00/638024600.db2.gz LDWGVCFMGOBXEC-UHFFFAOYSA-N 1 0 377.511 -0.590 20 0 GBADRO O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000831675435 603713104 /nfs/dbraw/zinc/71/31/04/603713104.db2.gz CFOUPPLOQTZEGK-CVEARBPZSA-N 1 0 377.445 -0.177 20 0 GBADRO O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000831675441 603713206 /nfs/dbraw/zinc/71/32/06/603713206.db2.gz CFOUPPLOQTZEGK-HOTGVXAUSA-N 1 0 377.445 -0.177 20 0 GBADRO O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000831675443 603712732 /nfs/dbraw/zinc/71/27/32/603712732.db2.gz CFOUPPLOQTZEGK-HZPDHXFCSA-N 1 0 377.445 -0.177 20 0 GBADRO O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000831675446 603712810 /nfs/dbraw/zinc/71/28/10/603712810.db2.gz CFOUPPLOQTZEGK-JKSUJKDBSA-N 1 0 377.445 -0.177 20 0 GBADRO CCO[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C[NH+](C)C ZINC000831766049 638026206 /nfs/dbraw/zinc/02/62/06/638026206.db2.gz GRTAPXRSGIDXRI-BFHYXJOUSA-N 1 0 375.491 -0.895 20 0 GBADRO CCO[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C[NH+](C)C ZINC000831766050 638026215 /nfs/dbraw/zinc/02/62/15/638026215.db2.gz GRTAPXRSGIDXRI-HZSPNIEDSA-N 1 0 375.491 -0.895 20 0 GBADRO CCO[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C[NH+](C)C ZINC000831766051 638026118 /nfs/dbraw/zinc/02/61/18/638026118.db2.gz GRTAPXRSGIDXRI-MELADBBJSA-N 1 0 375.491 -0.895 20 0 GBADRO CCO[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C[NH+](C)C ZINC000831766052 638026183 /nfs/dbraw/zinc/02/61/83/638026183.db2.gz GRTAPXRSGIDXRI-MGPQQGTHSA-N 1 0 375.491 -0.895 20 0 GBADRO CCO[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C[NH+](C)C ZINC000831770811 638026211 /nfs/dbraw/zinc/02/62/11/638026211.db2.gz FFZNGHVSOFMTOA-SECBINFHSA-N 1 0 377.239 -0.206 20 0 GBADRO CCO[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C[NH+](C)C ZINC000831770820 638026305 /nfs/dbraw/zinc/02/63/05/638026305.db2.gz FFZNGHVSOFMTOA-VIFPVBQESA-N 1 0 377.239 -0.206 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000831805394 638026808 /nfs/dbraw/zinc/02/68/08/638026808.db2.gz WJJNRAOGNISQLC-AWEZNQCLSA-N 1 0 378.495 -0.558 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000831805395 638026586 /nfs/dbraw/zinc/02/65/86/638026586.db2.gz WJJNRAOGNISQLC-CQSZACIVSA-N 1 0 378.495 -0.558 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000831809798 638026674 /nfs/dbraw/zinc/02/66/74/638026674.db2.gz CLZSCCBWTWAOEL-AWEZNQCLSA-N 1 0 378.495 -0.558 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000831809799 638026863 /nfs/dbraw/zinc/02/68/63/638026863.db2.gz CLZSCCBWTWAOEL-CQSZACIVSA-N 1 0 378.495 -0.558 20 0 GBADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831859817 638026855 /nfs/dbraw/zinc/02/68/55/638026855.db2.gz DFDWARCVZQUFMK-IHRRRGAJSA-N 1 0 393.531 -0.964 20 0 GBADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831859838 638026744 /nfs/dbraw/zinc/02/67/44/638026744.db2.gz DFDWARCVZQUFMK-MCIONIFRSA-N 1 0 393.531 -0.964 20 0 GBADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831859840 638026654 /nfs/dbraw/zinc/02/66/54/638026654.db2.gz DFDWARCVZQUFMK-MJBXVCDLSA-N 1 0 393.531 -0.964 20 0 GBADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831859842 638026800 /nfs/dbraw/zinc/02/68/00/638026800.db2.gz DFDWARCVZQUFMK-RDBSUJKOSA-N 1 0 393.531 -0.964 20 0 GBADRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000831859950 638026631 /nfs/dbraw/zinc/02/66/31/638026631.db2.gz GRDOCOICFAGXJV-CYBMUJFWSA-N 1 0 393.531 -0.833 20 0 GBADRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000831859953 638026729 /nfs/dbraw/zinc/02/67/29/638026729.db2.gz GRDOCOICFAGXJV-ZDUSSCGKSA-N 1 0 393.531 -0.833 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[C@H](C)[NH3+] ZINC000831860059 638026623 /nfs/dbraw/zinc/02/66/23/638026623.db2.gz JLEQNIGKPXGEIA-IHRRRGAJSA-N 1 0 395.547 -0.733 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)[NH3+] ZINC000831860060 638026774 /nfs/dbraw/zinc/02/67/74/638026774.db2.gz JLEQNIGKPXGEIA-MCIONIFRSA-N 1 0 395.547 -0.733 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[C@H](C)[NH3+] ZINC000831860061 638026612 /nfs/dbraw/zinc/02/66/12/638026612.db2.gz JLEQNIGKPXGEIA-MJBXVCDLSA-N 1 0 395.547 -0.733 20 0 GBADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[C@@H](C)[NH3+] ZINC000831860062 638026706 /nfs/dbraw/zinc/02/67/06/638026706.db2.gz JLEQNIGKPXGEIA-RDBSUJKOSA-N 1 0 395.547 -0.733 20 0 GBADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831860116 638026605 /nfs/dbraw/zinc/02/66/05/638026605.db2.gz KRXHWJDSESYCRT-KBPBESRZSA-N 1 0 393.531 -0.820 20 0 GBADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831860119 638026829 /nfs/dbraw/zinc/02/68/29/638026829.db2.gz KRXHWJDSESYCRT-UONOGXRCSA-N 1 0 393.531 -0.820 20 0 GBADRO [NH3+]CCCCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831860363 638027285 /nfs/dbraw/zinc/02/72/85/638027285.db2.gz PPMCNCKMRSTZSF-AWEZNQCLSA-N 1 0 395.547 -0.443 20 0 GBADRO [NH3+]CCCCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831860364 638027289 /nfs/dbraw/zinc/02/72/89/638027289.db2.gz PPMCNCKMRSTZSF-CQSZACIVSA-N 1 0 395.547 -0.443 20 0 GBADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831860544 638027279 /nfs/dbraw/zinc/02/72/79/638027279.db2.gz WRMAWLQILCYDTQ-CYBMUJFWSA-N 1 0 381.520 -0.964 20 0 GBADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831860545 638027193 /nfs/dbraw/zinc/02/71/93/638027193.db2.gz WRMAWLQILCYDTQ-ZDUSSCGKSA-N 1 0 381.520 -0.964 20 0 GBADRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831860575 638027298 /nfs/dbraw/zinc/02/72/98/638027298.db2.gz XJECHJNPGWETDE-CHWSQXEVSA-N 1 0 381.520 -0.964 20 0 GBADRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831860576 638027275 /nfs/dbraw/zinc/02/72/75/638027275.db2.gz XJECHJNPGWETDE-OLZOCXBDSA-N 1 0 381.520 -0.964 20 0 GBADRO CCC[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000831860577 638027177 /nfs/dbraw/zinc/02/71/77/638027177.db2.gz XJECHJNPGWETDE-QWHCGFSZSA-N 1 0 381.520 -0.964 20 0 GBADRO CCC[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000831860578 638027368 /nfs/dbraw/zinc/02/73/68/638027368.db2.gz XJECHJNPGWETDE-STQMWFEESA-N 1 0 381.520 -0.964 20 0 GBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000832207667 638027834 /nfs/dbraw/zinc/02/78/34/638027834.db2.gz QYAAUJUPHJWGLE-CYBMUJFWSA-N 1 0 392.275 -0.107 20 0 GBADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000832207669 638027638 /nfs/dbraw/zinc/02/76/38/638027638.db2.gz QYAAUJUPHJWGLE-ZDUSSCGKSA-N 1 0 392.275 -0.107 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833487108 605185877 /nfs/dbraw/zinc/18/58/77/605185877.db2.gz DSYONOZASMXKSF-DLBZAZTESA-N 1 0 384.521 -0.060 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833487109 605185781 /nfs/dbraw/zinc/18/57/81/605185781.db2.gz DSYONOZASMXKSF-IAGOWNOFSA-N 1 0 384.521 -0.060 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833487110 605185510 /nfs/dbraw/zinc/18/55/10/605185510.db2.gz DSYONOZASMXKSF-IRXDYDNUSA-N 1 0 384.521 -0.060 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833487111 605185855 /nfs/dbraw/zinc/18/58/55/605185855.db2.gz DSYONOZASMXKSF-SJORKVTESA-N 1 0 384.521 -0.060 20 0 GBADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000833622694 605049720 /nfs/dbraw/zinc/04/97/20/605049720.db2.gz FYMWQJIVXMTXNQ-CABCVRRESA-N 1 0 383.493 -0.236 20 0 GBADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000833622731 605049658 /nfs/dbraw/zinc/04/96/58/605049658.db2.gz FYMWQJIVXMTXNQ-GJZGRUSLSA-N 1 0 383.493 -0.236 20 0 GBADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000833622734 605049808 /nfs/dbraw/zinc/04/98/08/605049808.db2.gz FYMWQJIVXMTXNQ-HUUCEWRRSA-N 1 0 383.493 -0.236 20 0 GBADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000833622737 605049472 /nfs/dbraw/zinc/04/94/72/605049472.db2.gz FYMWQJIVXMTXNQ-LSDHHAIUSA-N 1 0 383.493 -0.236 20 0 GBADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000833772791 605227995 /nfs/dbraw/zinc/22/79/95/605227995.db2.gz AKXRAXQZTLIFHK-KRWDZBQOSA-N 1 0 382.505 -0.162 20 0 GBADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000833772792 605227918 /nfs/dbraw/zinc/22/79/18/605227918.db2.gz AKXRAXQZTLIFHK-QGZVFWFLSA-N 1 0 382.505 -0.162 20 0 GBADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCO1 ZINC000834316755 638030273 /nfs/dbraw/zinc/03/02/73/638030273.db2.gz KORMTMXRTGMGTQ-BDAKNGLRSA-N 1 0 399.249 -0.533 20 0 GBADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCO1 ZINC000834316760 638030366 /nfs/dbraw/zinc/03/03/66/638030366.db2.gz KORMTMXRTGMGTQ-DTWKUNHWSA-N 1 0 399.249 -0.533 20 0 GBADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCO1 ZINC000834316763 638030426 /nfs/dbraw/zinc/03/04/26/638030426.db2.gz KORMTMXRTGMGTQ-IUCAKERBSA-N 1 0 399.249 -0.533 20 0 GBADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCO1 ZINC000834316765 638030245 /nfs/dbraw/zinc/03/02/45/638030245.db2.gz KORMTMXRTGMGTQ-RKDXNWHRSA-N 1 0 399.249 -0.533 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCO[C@H](C[NH3+])C1)c2=O ZINC000834528121 638030844 /nfs/dbraw/zinc/03/08/44/638030844.db2.gz BMDIISZGIVZYFP-MRVPVSSYSA-N 1 0 385.222 -0.921 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCO[C@@H](C[NH3+])C1)c2=O ZINC000834528123 638030763 /nfs/dbraw/zinc/03/07/63/638030763.db2.gz BMDIISZGIVZYFP-QMMMGPOBSA-N 1 0 385.222 -0.921 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N[C@@H](CC[NH3+])C(F)F)c2=O ZINC000834831475 638031366 /nfs/dbraw/zinc/03/13/66/638031366.db2.gz PPXJPNFTLPGPMP-LURJTMIESA-N 1 0 393.192 -0.009 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N[C@H](CC[NH3+])C(F)F)c2=O ZINC000834831477 638031777 /nfs/dbraw/zinc/03/17/77/638031777.db2.gz PPXJPNFTLPGPMP-ZCFIWIBFSA-N 1 0 393.192 -0.009 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1C[NH2+]CCCO1)c2=O ZINC000834857796 638031872 /nfs/dbraw/zinc/03/18/72/638031872.db2.gz LIZRNVABIGAWPT-SECBINFHSA-N 1 0 399.249 -0.613 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1C[NH2+]CCCO1)c2=O ZINC000834857798 638031813 /nfs/dbraw/zinc/03/18/13/638031813.db2.gz LIZRNVABIGAWPT-VIFPVBQESA-N 1 0 399.249 -0.613 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[C@@H]3C[NH2+]C[C@@H]31)c2=O ZINC000834862639 638031633 /nfs/dbraw/zinc/03/16/33/638031633.db2.gz VHLGFTHMUXICQJ-BDAKNGLRSA-N 1 0 381.234 -0.287 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000840293678 1073327450 /nfs/dbraw/zinc/32/74/50/1073327450.db2.gz HOCMZWUDSKOVEX-AWEZNQCLSA-N 1 0 385.509 -0.097 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000840293679 1073327196 /nfs/dbraw/zinc/32/71/96/1073327196.db2.gz HOCMZWUDSKOVEX-CQSZACIVSA-N 1 0 385.509 -0.097 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000840393610 1073332140 /nfs/dbraw/zinc/33/21/40/1073332140.db2.gz JGKHFMNABRBLGE-INIZCTEOSA-N 1 0 398.504 -0.244 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000840393611 1073331820 /nfs/dbraw/zinc/33/18/20/1073331820.db2.gz JGKHFMNABRBLGE-MRXNPFEDSA-N 1 0 398.504 -0.244 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[N@H+](C)C1 ZINC000840499643 1073338456 /nfs/dbraw/zinc/33/84/56/1073338456.db2.gz HOEALDPMSFARAV-BBRMVZONSA-N 1 0 387.440 -0.330 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[N@H+](C)C1 ZINC000840499644 1073338218 /nfs/dbraw/zinc/33/82/18/1073338218.db2.gz 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O=C(NC[C@@H]1COc2ccccc2C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000841665614 1073928249 /nfs/dbraw/zinc/92/82/49/1073928249.db2.gz OVKMWIIDNJKOJS-CQSZACIVSA-N 1 0 394.497 -0.134 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cn1nc2c(OC)cccn2c1=O ZINC000841683632 1073939736 /nfs/dbraw/zinc/93/97/36/1073939736.db2.gz IZXBMSQONJFCOV-UHFFFAOYSA-N 1 0 392.460 -0.816 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841800941 638041797 /nfs/dbraw/zinc/04/17/97/638041797.db2.gz AMQWGKMXUBZYBY-JTQLQIEISA-N 1 0 375.417 -0.939 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841800942 638041761 /nfs/dbraw/zinc/04/17/61/638041761.db2.gz AMQWGKMXUBZYBY-SNVBAGLBSA-N 1 0 375.417 -0.939 20 0 GBADRO O=C(NCCS(=O)(=O)CC1CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841861813 638042048 /nfs/dbraw/zinc/04/20/48/638042048.db2.gz MTTWFKOPUDIYHR-GFCCVEGCSA-N 1 0 386.440 -0.054 20 0 GBADRO O=C(NCCS(=O)(=O)CC1CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841861815 638042308 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GBADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000842127865 638042169 /nfs/dbraw/zinc/04/21/69/638042169.db2.gz UGBUTFVSHOVBLC-OLZOCXBDSA-N 1 0 388.559 -0.203 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000842127867 638042182 /nfs/dbraw/zinc/04/21/82/638042182.db2.gz UGBUTFVSHOVBLC-QWHCGFSZSA-N 1 0 388.559 -0.203 20 0 GBADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000842127868 638042054 /nfs/dbraw/zinc/04/20/54/638042054.db2.gz UGBUTFVSHOVBLC-STQMWFEESA-N 1 0 388.559 -0.203 20 0 GBADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000842510967 638043607 /nfs/dbraw/zinc/04/36/07/638043607.db2.gz VVQXGEUQVJOUCY-LLVKDONJSA-N 1 0 391.877 -0.017 20 0 GBADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000842510968 638043518 /nfs/dbraw/zinc/04/35/18/638043518.db2.gz VVQXGEUQVJOUCY-NSHDSACASA-N 1 0 391.877 -0.017 20 0 GBADRO CCN(C(=O)CONC(=[NH2+])COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000842655839 638044069 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-0.426 20 0 GBADRO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000842693538 638044842 /nfs/dbraw/zinc/04/48/42/638044842.db2.gz JODSNMIFUWIVRI-LLVKDONJSA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000842693542 638044765 /nfs/dbraw/zinc/04/47/65/638044765.db2.gz JODSNMIFUWIVRI-NSHDSACASA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1Cl ZINC000842693546 638044907 /nfs/dbraw/zinc/04/49/07/638044907.db2.gz JQOLPYWWVRBQHI-LLVKDONJSA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1Cl ZINC000842693548 638044777 /nfs/dbraw/zinc/04/47/77/638044777.db2.gz JQOLPYWWVRBQHI-NSHDSACASA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1Cl ZINC000842693982 638044863 /nfs/dbraw/zinc/04/48/63/638044863.db2.gz NEPLBZNPEYUVPC-LLVKDONJSA-N 1 0 375.882 -0.094 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1Cl ZINC000842693986 638044831 /nfs/dbraw/zinc/04/48/31/638044831.db2.gz NEPLBZNPEYUVPC-NSHDSACASA-N 1 0 375.882 -0.094 20 0 GBADRO O=C(CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)N1CC[NH2+]CC1 ZINC000842694195 638044795 /nfs/dbraw/zinc/04/47/95/638044795.db2.gz PVRVHKVEQFJZBW-UHFFFAOYSA-N 1 0 397.425 -0.607 20 0 GBADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)s1 ZINC000842694479 638044821 /nfs/dbraw/zinc/04/48/21/638044821.db2.gz ROKMQHAFNPKSBI-UHFFFAOYSA-N 1 0 390.487 -0.643 20 0 GBADRO CS(=O)(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)ccc1Cl ZINC000842694862 638044872 /nfs/dbraw/zinc/04/48/72/638044872.db2.gz ZLKXXZRHFVNGIT-UHFFFAOYSA-N 1 0 395.890 -0.546 20 0 GBADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000842695022 638044705 /nfs/dbraw/zinc/04/47/05/638044705.db2.gz PMZAXDNAHOGZBM-UHFFFAOYSA-N 1 0 376.822 -0.768 20 0 GBADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842695160 638044671 /nfs/dbraw/zinc/04/46/71/638044671.db2.gz QUVGBZQDUHEWNJ-UHFFFAOYSA-N 1 0 393.462 -0.719 20 0 GBADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000842695323 638044788 /nfs/dbraw/zinc/04/47/88/638044788.db2.gz UDQVDUZCDFNUOS-UHFFFAOYSA-N 1 0 388.877 -0.248 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)ccc1Cl ZINC000842695494 638044897 /nfs/dbraw/zinc/04/48/97/638044897.db2.gz YMNBFAKWGIWWCQ-UHFFFAOYSA-N 1 0 375.834 -0.163 20 0 GBADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1F ZINC000842695527 638044692 /nfs/dbraw/zinc/04/46/92/638044692.db2.gz ZMPFAKOSRJXUOI-UHFFFAOYSA-N 1 0 377.369 -0.539 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000842740061 638045317 /nfs/dbraw/zinc/04/53/17/638045317.db2.gz MIMZGGOLKDRFIB-UHFFFAOYSA-N 1 0 378.495 -0.165 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000842855055 638047004 /nfs/dbraw/zinc/04/70/04/638047004.db2.gz VGYCWUMKQGZYPX-UHFFFAOYSA-N 1 0 378.495 -0.389 20 0 GBADRO COC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000843081690 638048424 /nfs/dbraw/zinc/04/84/24/638048424.db2.gz TXYHIXMQADATHH-LBPRGKRZSA-N 1 0 380.488 -0.693 20 0 GBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000843248318 638048523 /nfs/dbraw/zinc/04/85/23/638048523.db2.gz GCAZLFDBVICSIG-UHFFFAOYSA-N 1 0 375.491 -0.797 20 0 GBADRO [NH3+]CCCCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000843260099 638048404 /nfs/dbraw/zinc/04/84/04/638048404.db2.gz USABYOLLZVHHAS-UHFFFAOYSA-N 1 0 380.536 -0.884 20 0 GBADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000843260345 638048331 /nfs/dbraw/zinc/04/83/31/638048331.db2.gz DSHZMBPWXQLSGT-BDAKNGLRSA-N 1 0 388.412 -0.341 20 0 GBADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000843260346 638048394 /nfs/dbraw/zinc/04/83/94/638048394.db2.gz DSHZMBPWXQLSGT-DTWKUNHWSA-N 1 0 388.412 -0.341 20 0 GBADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000843260347 638048508 /nfs/dbraw/zinc/04/85/08/638048508.db2.gz DSHZMBPWXQLSGT-IUCAKERBSA-N 1 0 388.412 -0.341 20 0 GBADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000843260348 638048302 /nfs/dbraw/zinc/04/83/02/638048302.db2.gz DSHZMBPWXQLSGT-RKDXNWHRSA-N 1 0 388.412 -0.341 20 0 GBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843260630 638048261 /nfs/dbraw/zinc/04/82/61/638048261.db2.gz GQHSCTWPQQFJRB-AWEZNQCLSA-N 1 0 376.523 -0.058 20 0 GBADRO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843260653 638048342 /nfs/dbraw/zinc/04/83/42/638048342.db2.gz GQHSCTWPQQFJRB-CQSZACIVSA-N 1 0 376.523 -0.058 20 0 GBADRO C[C@H](CC(=O)NCCN1CC[NH2+]CC1)NS(=O)(=O)c1cccnc1Cl ZINC000843314630 638049113 /nfs/dbraw/zinc/04/91/13/638049113.db2.gz NUKFKUVOHAZLJR-GFCCVEGCSA-N 1 0 389.909 -0.187 20 0 GBADRO C[C@@H](CC(=O)NCCN1CC[NH2+]CC1)NS(=O)(=O)c1cccnc1Cl ZINC000843314631 638049045 /nfs/dbraw/zinc/04/90/45/638049045.db2.gz NUKFKUVOHAZLJR-LBPRGKRZSA-N 1 0 389.909 -0.187 20 0 GBADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843316840 638048930 /nfs/dbraw/zinc/04/89/30/638048930.db2.gz BKRSQAOIDDJNSI-KBPBESRZSA-N 1 0 389.543 -0.423 20 0 GBADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843316841 638049075 /nfs/dbraw/zinc/04/90/75/638049075.db2.gz BKRSQAOIDDJNSI-KGLIPLIRSA-N 1 0 389.543 -0.423 20 0 GBADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843316842 638049118 /nfs/dbraw/zinc/04/91/18/638049118.db2.gz BKRSQAOIDDJNSI-UONOGXRCSA-N 1 0 389.543 -0.423 20 0 GBADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843316843 638049002 /nfs/dbraw/zinc/04/90/02/638049002.db2.gz BKRSQAOIDDJNSI-ZIAGYGMSSA-N 1 0 389.543 -0.423 20 0 GBADRO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000843357213 638048892 /nfs/dbraw/zinc/04/88/92/638048892.db2.gz CGXZDWAHQDARIK-INIZCTEOSA-N 1 0 393.575 -0.099 20 0 GBADRO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000843357215 638049087 /nfs/dbraw/zinc/04/90/87/638049087.db2.gz 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CS(=O)(=O)c1cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)ccc1F ZINC000844224456 638054982 /nfs/dbraw/zinc/05/49/82/638054982.db2.gz LLSXPKCRGFGDQW-UHFFFAOYSA-N 1 0 379.479 -0.197 20 0 GBADRO CS(=O)(=O)c1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(Cl)s1 ZINC000844226058 638054707 /nfs/dbraw/zinc/05/47/07/638054707.db2.gz BTHFATNOITZYON-UHFFFAOYSA-N 1 0 387.936 -0.012 20 0 GBADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000844226425 638054854 /nfs/dbraw/zinc/05/48/54/638054854.db2.gz HDOUUPHREQWQEG-UHFFFAOYSA-N 1 0 379.479 -0.245 20 0 GBADRO COC(=O)NCCc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)s1 ZINC000844226445 638054919 /nfs/dbraw/zinc/05/49/19/638054919.db2.gz HVEHOMWNNHFOAD-UHFFFAOYSA-N 1 0 376.504 -0.170 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H](C[NH3+])C1 ZINC000844226806 638055409 /nfs/dbraw/zinc/05/54/09/638055409.db2.gz PNCZJOIGDOCMEH-JTQLQIEISA-N 1 0 383.442 -0.054 20 0 GBADRO CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@H](C[NH3+])C1 ZINC000844226807 638055516 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CC(C)[NH+]1CCC(NC(=O)COC(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000845200820 638059429 /nfs/dbraw/zinc/05/94/29/638059429.db2.gz ZTDTYUIZPFLQGP-UHFFFAOYSA-N 1 0 378.495 -0.743 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000845491835 638062075 /nfs/dbraw/zinc/06/20/75/638062075.db2.gz RHVVHYDRSSWAHP-NEPJUHHUSA-N 1 0 378.495 -0.279 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000845491877 638061918 /nfs/dbraw/zinc/06/19/18/638061918.db2.gz RHVVHYDRSSWAHP-NWDGAFQWSA-N 1 0 378.495 -0.279 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000845491879 638062183 /nfs/dbraw/zinc/06/21/83/638062183.db2.gz RHVVHYDRSSWAHP-RYUDHWBXSA-N 1 0 378.495 -0.279 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000845491880 638061994 /nfs/dbraw/zinc/06/19/94/638061994.db2.gz RHVVHYDRSSWAHP-VXGBXAGGSA-N 1 0 378.495 -0.279 20 0 GBADRO COCC[NH2+]C1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000846144598 638068278 /nfs/dbraw/zinc/06/82/78/638068278.db2.gz MMIBBHWIHFZIAW-UHFFFAOYSA-N 1 0 378.495 -0.942 20 0 GBADRO CCO[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000846144743 638068381 /nfs/dbraw/zinc/06/83/81/638068381.db2.gz JYBFJOYSWPXSDB-UKRRQHHQSA-N 1 0 376.523 -0.499 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846189005 638068827 /nfs/dbraw/zinc/06/88/27/638068827.db2.gz JDYLAIAAGNPALO-GFCCVEGCSA-N 1 0 380.511 -0.161 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000846189007 638069053 /nfs/dbraw/zinc/06/90/53/638069053.db2.gz JDYLAIAAGNPALO-LBPRGKRZSA-N 1 0 380.511 -0.161 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000846231638 638068982 /nfs/dbraw/zinc/06/89/82/638068982.db2.gz PUPQERAYXZTNSW-UHFFFAOYSA-N 1 0 378.495 -0.294 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O ZINC000846358529 638069319 /nfs/dbraw/zinc/06/93/19/638069319.db2.gz XSRAVKWWXWACSO-UHFFFAOYSA-N 1 0 388.877 -0.167 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1=O ZINC000846658713 638071252 /nfs/dbraw/zinc/07/12/52/638071252.db2.gz GHFYGMQSIODLIJ-UHFFFAOYSA-N 1 0 388.877 -0.167 20 0 GBADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000846668537 638071383 /nfs/dbraw/zinc/07/13/83/638071383.db2.gz APLGZZVQXMFZBG-SECBINFHSA-N 1 0 399.297 -0.067 20 0 GBADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846668540 638071398 /nfs/dbraw/zinc/07/13/98/638071398.db2.gz APLGZZVQXMFZBG-VIFPVBQESA-N 1 0 399.297 -0.067 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846670931 638071542 /nfs/dbraw/zinc/07/15/42/638071542.db2.gz LUAFZSKNZHYCKS-AAEUAGOBSA-N 1 0 385.408 -0.100 20 0 GBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 ZINC000846915972 638072641 /nfs/dbraw/zinc/07/26/41/638072641.db2.gz VARFZXPMZPXBOE-UHFFFAOYSA-N 1 0 394.563 -0.281 20 0 GBADRO CS(=O)(=O)N=S1(=O)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000846916603 638072690 /nfs/dbraw/zinc/07/26/90/638072690.db2.gz MTMUBZWFQUFQNU-UHFFFAOYSA-N 1 0 392.547 -0.527 20 0 GBADRO CC[NH+]1CCC(NC(=O)CN2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 ZINC000846917499 638072748 /nfs/dbraw/zinc/07/27/48/638072748.db2.gz YXFMZQRFSSZNDP-UHFFFAOYSA-N 1 0 380.536 -0.670 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847409673 638076429 /nfs/dbraw/zinc/07/64/29/638076429.db2.gz QJSKYFZDIUPVSM-HNNXBMFYSA-N 1 0 391.559 -0.018 20 0 GBADRO O=C(NCCS(=O)(=O)N1CCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000847409674 638076385 /nfs/dbraw/zinc/07/63/85/638076385.db2.gz QJSKYFZDIUPVSM-OAHLLOKOSA-N 1 0 391.559 -0.018 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N[C@H](C[NH3+])C(F)(F)F)c2=O ZINC000848439556 638082304 /nfs/dbraw/zinc/08/23/04/638082304.db2.gz WOBDTMFHGGFKLR-RXMQYKEDSA-N 1 0 397.155 -0.102 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2=O ZINC000848439560 638082350 /nfs/dbraw/zinc/08/23/50/638082350.db2.gz WOBDTMFHGGFKLR-YFKPBYRVSA-N 1 0 397.155 -0.102 20 0 GBADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000848488795 638082936 /nfs/dbraw/zinc/08/29/36/638082936.db2.gz JBYMIRBQTSBXRP-WDEREUQCSA-N 1 0 378.447 -0.331 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000848594477 638083707 /nfs/dbraw/zinc/08/37/07/638083707.db2.gz CKNBTEHMKRIXDY-JTQLQIEISA-N 1 0 375.417 -0.210 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000848594487 638083635 /nfs/dbraw/zinc/08/36/35/638083635.db2.gz CKNBTEHMKRIXDY-SNVBAGLBSA-N 1 0 375.417 -0.210 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000848857515 638084947 /nfs/dbraw/zinc/08/49/47/638084947.db2.gz AJOFIOGWQQSBFZ-KBPBESRZSA-N 1 0 376.475 -0.420 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000848857516 638084889 /nfs/dbraw/zinc/08/48/89/638084889.db2.gz AJOFIOGWQQSBFZ-KGLIPLIRSA-N 1 0 376.475 -0.420 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000848857517 638084805 /nfs/dbraw/zinc/08/48/05/638084805.db2.gz AJOFIOGWQQSBFZ-UONOGXRCSA-N 1 0 376.475 -0.420 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000848857518 638085010 /nfs/dbraw/zinc/08/50/10/638085010.db2.gz AJOFIOGWQQSBFZ-ZIAGYGMSSA-N 1 0 376.475 -0.420 20 0 GBADRO CON(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000848957729 638092975 /nfs/dbraw/zinc/09/29/75/638092975.db2.gz VAUCWGYKOOYTEA-UHFFFAOYSA-N 1 0 378.476 -0.119 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCNC(=O)C2)cc[nH+]1 ZINC000848959479 638097968 /nfs/dbraw/zinc/09/79/68/638097968.db2.gz JLLYHGYPQGNTHE-UHFFFAOYSA-N 1 0 390.487 -0.905 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCc2cnn(C)n2)cc[nH+]1 ZINC000848961707 638103521 /nfs/dbraw/zinc/10/35/21/638103521.db2.gz BFYQNULBJULTDZ-UHFFFAOYSA-N 1 0 388.475 -0.808 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C)CCOC2=O)cc[nH+]1 ZINC000848963523 638109392 /nfs/dbraw/zinc/10/93/92/638109392.db2.gz ULWGWBMBBQRXEC-AWEZNQCLSA-N 1 0 391.471 -0.431 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C)CCOC2=O)cc[nH+]1 ZINC000848963524 638109418 /nfs/dbraw/zinc/10/94/18/638109418.db2.gz ULWGWBMBBQRXEC-CQSZACIVSA-N 1 0 391.471 -0.431 20 0 GBADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C)OCCO2)cc[nH+]1 ZINC000848965454 638114605 /nfs/dbraw/zinc/11/46/05/638114605.db2.gz PYLWOYBJJNRVJW-UHFFFAOYSA-N 1 0 393.487 -0.374 20 0 GBADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849053096 638124055 /nfs/dbraw/zinc/12/40/55/638124055.db2.gz ZASWZRWZLLURES-CABCVRRESA-N 1 0 375.539 -0.069 20 0 GBADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849053097 638123895 /nfs/dbraw/zinc/12/38/95/638123895.db2.gz ZASWZRWZLLURES-GJZGRUSLSA-N 1 0 375.539 -0.069 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849053098 638123974 /nfs/dbraw/zinc/12/39/74/638123974.db2.gz ZASWZRWZLLURES-HUUCEWRRSA-N 1 0 375.539 -0.069 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849053099 638123815 /nfs/dbraw/zinc/12/38/15/638123815.db2.gz ZASWZRWZLLURES-LSDHHAIUSA-N 1 0 375.539 -0.069 20 0 GBADRO CCS(=O)(=O)N1CCC(CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849082528 638123853 /nfs/dbraw/zinc/12/38/53/638123853.db2.gz ZKDBOFAYWYEOFE-UHFFFAOYSA-N 1 0 375.539 -0.116 20 0 GBADRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000849097373 638124903 /nfs/dbraw/zinc/12/49/03/638124903.db2.gz DNBDSKFCAGJPBQ-UHFFFAOYSA-N 1 0 375.495 -0.045 20 0 GBADRO CCOC(=O)N1CCC(NC(=[NH2+])NCCNS(=O)(=O)NC(C)C)CC1 ZINC000849104502 638124805 /nfs/dbraw/zinc/12/48/05/638124805.db2.gz QVOXKDPQXXPEKR-UHFFFAOYSA-N 1 0 378.499 -0.446 20 0 GBADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000849111637 638124887 /nfs/dbraw/zinc/12/48/87/638124887.db2.gz XWVSPRYYFONTRD-UHFFFAOYSA-N 1 0 379.483 -0.713 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000849270280 638128800 /nfs/dbraw/zinc/12/88/00/638128800.db2.gz YKALHEDEGGYOPU-UHFFFAOYSA-N 1 0 378.564 -0.109 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000849281448 638128681 /nfs/dbraw/zinc/12/86/81/638128681.db2.gz NFGVAYJHLYUUEG-HNNXBMFYSA-N 1 0 386.543 -0.234 20 0 GBADRO CS(=O)(=O)NCCNC(=S)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000849281451 638128663 /nfs/dbraw/zinc/12/86/63/638128663.db2.gz NFGVAYJHLYUUEG-OAHLLOKOSA-N 1 0 386.543 -0.234 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000849422854 638133685 /nfs/dbraw/zinc/13/36/85/638133685.db2.gz GPWIBNHLOJFJCR-HNNXBMFYSA-N 1 0 378.539 -0.068 20 0 GBADRO CS(=O)(=O)CCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000849428593 638133375 /nfs/dbraw/zinc/13/33/75/638133375.db2.gz YKFTUGGYHLOGSU-HNNXBMFYSA-N 1 0 376.500 -0.283 20 0 GBADRO CS(=O)(=O)CCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000849428594 638133494 /nfs/dbraw/zinc/13/34/94/638133494.db2.gz YKFTUGGYHLOGSU-OAHLLOKOSA-N 1 0 376.500 -0.283 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000849429662 638133722 /nfs/dbraw/zinc/13/37/22/638133722.db2.gz SXSGCYUGQODOSJ-UHFFFAOYSA-N 1 0 379.527 -0.522 20 0 GBADRO C[C@H]([NH2+][C@H]1CCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850482752 638139683 /nfs/dbraw/zinc/13/96/83/638139683.db2.gz VEQDVGCIMGALDZ-GWCFXTLKSA-N 1 0 375.472 -0.049 20 0 GBADRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850482767 638139793 /nfs/dbraw/zinc/13/97/93/638139793.db2.gz VEQDVGCIMGALDZ-MFKMUULPSA-N 1 0 375.472 -0.049 20 0 GBADRO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000850583089 638140687 /nfs/dbraw/zinc/14/06/87/638140687.db2.gz ZIKYLYCKVUOTGE-UHFFFAOYSA-N 1 0 376.504 -0.901 20 0 GBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000850658280 638142344 /nfs/dbraw/zinc/14/23/44/638142344.db2.gz JNGNHLKDVIRYLW-AWEZNQCLSA-N 1 0 377.507 -0.551 20 0 GBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000850658281 638142466 /nfs/dbraw/zinc/14/24/66/638142466.db2.gz JNGNHLKDVIRYLW-CQSZACIVSA-N 1 0 377.507 -0.551 20 0 GBADRO [NH3+]CCn1cc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nn1 ZINC000851629678 638150280 /nfs/dbraw/zinc/15/02/80/638150280.db2.gz SXYMKFMVVBYZSY-UHFFFAOYSA-N 1 0 384.384 -0.472 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c2=O ZINC000851649072 638150175 /nfs/dbraw/zinc/15/01/75/638150175.db2.gz SOXOAMMYSJWWSP-HTQZYQBOSA-N 1 0 387.213 -0.210 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851671841 638150686 /nfs/dbraw/zinc/15/06/86/638150686.db2.gz VJEUODXUSVPYND-JTQLQIEISA-N 1 0 388.412 -0.540 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851671842 638150838 /nfs/dbraw/zinc/15/08/38/638150838.db2.gz VJEUODXUSVPYND-SNVBAGLBSA-N 1 0 388.412 -0.540 20 0 GBADRO CN(CCC[NH3+])C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000851684453 638150666 /nfs/dbraw/zinc/15/06/66/638150666.db2.gz CCFBNDHCMQUHGU-UHFFFAOYSA-N 1 0 388.412 -0.529 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000851684616 638150845 /nfs/dbraw/zinc/15/08/45/638150845.db2.gz FSGFAZUXULACJL-SECBINFHSA-N 1 0 388.412 -0.612 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000851684617 638150992 /nfs/dbraw/zinc/15/09/92/638150992.db2.gz FSGFAZUXULACJL-VIFPVBQESA-N 1 0 388.412 -0.612 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685579 638150920 /nfs/dbraw/zinc/15/09/20/638150920.db2.gz RZBQZMFCRCIGPD-JTQLQIEISA-N 1 0 386.396 -0.858 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)n1 ZINC000851687024 638150973 /nfs/dbraw/zinc/15/09/73/638150973.db2.gz XYVWEFAZNADDKK-BREBYQMCSA-N 1 0 383.499 -0.247 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)n1 ZINC000851687025 638150897 /nfs/dbraw/zinc/15/08/97/638150897.db2.gz XYVWEFAZNADDKK-GBIKHYSHSA-N 1 0 383.499 -0.247 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)n1 ZINC000851687026 638150741 /nfs/dbraw/zinc/15/07/41/638150741.db2.gz XYVWEFAZNADDKK-GIPNMCIBSA-N 1 0 383.499 -0.247 20 0 GBADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)n1 ZINC000851687027 638151609 /nfs/dbraw/zinc/15/16/09/638151609.db2.gz XYVWEFAZNADDKK-NRUUGDAUSA-N 1 0 383.499 -0.247 20 0 GBADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000851687587 638151727 /nfs/dbraw/zinc/15/17/27/638151727.db2.gz FTWGTUUAWQMIAH-UHFFFAOYSA-N 1 0 388.412 -0.388 20 0 GBADRO [NH3+]CCNC(=O)C(=O)N1CCC(n2nncc2I)CC1 ZINC000851688279 638151659 /nfs/dbraw/zinc/15/16/59/638151659.db2.gz VRBXRAVDUKYGSI-UHFFFAOYSA-N 1 0 392.201 -0.879 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)CC1CCS(=O)(=O)CC1 ZINC000852179205 638158121 /nfs/dbraw/zinc/15/81/21/638158121.db2.gz CLOAVTLJMYAFKU-AWEZNQCLSA-N 1 0 380.507 -0.009 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)CC1CCS(=O)(=O)CC1 ZINC000852179206 638158279 /nfs/dbraw/zinc/15/82/79/638158279.db2.gz CLOAVTLJMYAFKU-CQSZACIVSA-N 1 0 380.507 -0.009 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C[C@H](O)CO ZINC000852753838 638162004 /nfs/dbraw/zinc/16/20/04/638162004.db2.gz JFIALFCLQARKQN-JTQLQIEISA-N 1 0 381.401 -0.765 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C[C@@H](O)CO ZINC000852753843 638162158 /nfs/dbraw/zinc/16/21/58/638162158.db2.gz JFIALFCLQARKQN-SNVBAGLBSA-N 1 0 381.401 -0.765 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C[C@@H](O)CO ZINC000852754285 638162167 /nfs/dbraw/zinc/16/21/67/638162167.db2.gz SEGHCZYKZRFDAF-LLVKDONJSA-N 1 0 381.401 -0.765 20 0 GBADRO [NH3+]CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C[C@H](O)CO ZINC000852754286 638162143 /nfs/dbraw/zinc/16/21/43/638162143.db2.gz SEGHCZYKZRFDAF-NSHDSACASA-N 1 0 381.401 -0.765 20 0 GBADRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)=NO1 ZINC000852805807 638161865 /nfs/dbraw/zinc/16/18/65/638161865.db2.gz MYVHJALRKITNFQ-JTQLQIEISA-N 1 0 388.471 -0.511 20 0 GBADRO [NH3+]C[C@H]1CC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)=NO1 ZINC000852805808 638162171 /nfs/dbraw/zinc/16/21/71/638162171.db2.gz MYVHJALRKITNFQ-SNVBAGLBSA-N 1 0 388.471 -0.511 20 0 GBADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000852817613 638162156 /nfs/dbraw/zinc/16/21/56/638162156.db2.gz FKFBZDZUYVVIGV-CHWSQXEVSA-N 1 0 393.531 -0.964 20 0 GBADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000852817614 638162069 /nfs/dbraw/zinc/16/20/69/638162069.db2.gz FKFBZDZUYVVIGV-OLZOCXBDSA-N 1 0 393.531 -0.964 20 0 GBADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000852817615 638161885 /nfs/dbraw/zinc/16/18/85/638161885.db2.gz FKFBZDZUYVVIGV-QWHCGFSZSA-N 1 0 393.531 -0.964 20 0 GBADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000852817616 638162065 /nfs/dbraw/zinc/16/20/65/638162065.db2.gz FKFBZDZUYVVIGV-STQMWFEESA-N 1 0 393.531 -0.964 20 0 GBADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852834776 638162153 /nfs/dbraw/zinc/16/21/53/638162153.db2.gz BDXOAQZIQJSZSF-SSDOTTSWSA-N 1 0 397.237 -0.243 20 0 GBADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852834779 638162055 /nfs/dbraw/zinc/16/20/55/638162055.db2.gz BDXOAQZIQJSZSF-ZETCQYMHSA-N 1 0 397.237 -0.243 20 0 GBADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852840740 638163013 /nfs/dbraw/zinc/16/30/13/638163013.db2.gz YTIYIZINPYZRQK-JTQLQIEISA-N 1 0 386.396 -0.095 20 0 GBADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852840741 638162774 /nfs/dbraw/zinc/16/27/74/638162774.db2.gz YTIYIZINPYZRQK-SNVBAGLBSA-N 1 0 386.396 -0.095 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CC3CC1(C[NH3+])C3)c2=O ZINC000852858396 638162914 /nfs/dbraw/zinc/16/29/14/638162914.db2.gz AZPYUZUGRAPBOP-UHFFFAOYSA-N 1 0 381.234 -0.158 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NCC13CC(C1)C[NH2+]3)c2=O ZINC000852867622 638162952 /nfs/dbraw/zinc/16/29/52/638162952.db2.gz YTWWAWBVBIBICJ-UHFFFAOYSA-N 1 0 381.234 -0.239 20 0 GBADRO [NH3+]C[C@H]1CC(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)=NO1 ZINC000852890338 638162625 /nfs/dbraw/zinc/16/26/25/638162625.db2.gz IZEVTDIASUCHIS-SECBINFHSA-N 1 0 378.813 -0.023 20 0 GBADRO [NH3+]C[C@@H]1CC(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)=NO1 ZINC000852890350 638162927 /nfs/dbraw/zinc/16/29/27/638162927.db2.gz IZEVTDIASUCHIS-VIFPVBQESA-N 1 0 378.813 -0.023 20 0 GBADRO O=C(N1CCC(n2nncc2I)CC1)C1(O)C[NH2+]C1 ZINC000852907967 638165120 /nfs/dbraw/zinc/16/51/20/638165120.db2.gz IAMYEZYAHLODSR-UHFFFAOYSA-N 1 0 377.186 -0.620 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C(F)(F)F ZINC000852920648 638165772 /nfs/dbraw/zinc/16/57/72/638165772.db2.gz FDQVPORARSHYDH-CHWFTXMASA-N 1 0 383.392 -0.759 20 0 GBADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=S)NCCNS(C)(=O)=O ZINC000853052155 638166518 /nfs/dbraw/zinc/16/65/18/638166518.db2.gz YKDXXRXKSJUSFY-CYBMUJFWSA-N 1 0 378.564 -0.015 20 0 GBADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=S)NCCNS(C)(=O)=O ZINC000853052156 638166558 /nfs/dbraw/zinc/16/65/58/638166558.db2.gz YKDXXRXKSJUSFY-ZDUSSCGKSA-N 1 0 378.564 -0.015 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCOC3(C[NH2+]C3)C1)c2=O ZINC000853245625 638168940 /nfs/dbraw/zinc/16/89/40/638168940.db2.gz NBKMJXKHMCEJDD-UHFFFAOYSA-N 1 0 397.233 -0.907 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000853785642 638171701 /nfs/dbraw/zinc/17/17/01/638171701.db2.gz NSURGSCJJPMKNZ-HNNXBMFYSA-N 1 0 377.507 -0.056 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000853785644 638171918 /nfs/dbraw/zinc/17/19/18/638171918.db2.gz NSURGSCJJPMKNZ-OAHLLOKOSA-N 1 0 377.507 -0.056 20 0 GBADRO NS(=O)(=O)c1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)sc1Br ZINC000854015311 638172587 /nfs/dbraw/zinc/17/25/87/638172587.db2.gz KLILEGMRMLFQQI-UHFFFAOYSA-N 1 0 396.288 -0.028 20 0 GBADRO C[C@H](CC(=O)N1CCOC2(C[NH2+]C2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000854015329 638172601 /nfs/dbraw/zinc/17/26/01/638172601.db2.gz LAOIVQBMDQEECT-LLVKDONJSA-N 1 0 388.877 -0.007 20 0 GBADRO C[C@@H](CC(=O)N1CCOC2(C[NH2+]C2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000854015330 638172555 /nfs/dbraw/zinc/17/25/55/638172555.db2.gz LAOIVQBMDQEECT-NSHDSACASA-N 1 0 388.877 -0.007 20 0 GBADRO CN(C)S(=O)(=O)NCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000854108395 638174119 /nfs/dbraw/zinc/17/41/19/638174119.db2.gz YIKAORHMSSWPMN-AWEZNQCLSA-N 1 0 377.511 -0.675 20 0 GBADRO CN(C)S(=O)(=O)NCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000854108396 638174021 /nfs/dbraw/zinc/17/40/21/638174021.db2.gz YIKAORHMSSWPMN-CQSZACIVSA-N 1 0 377.511 -0.675 20 0 GBADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000854466926 638179377 /nfs/dbraw/zinc/17/93/77/638179377.db2.gz OAZNQOPCKUPRCA-LLVKDONJSA-N 1 0 393.893 -0.083 20 0 GBADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000854466927 638179071 /nfs/dbraw/zinc/17/90/71/638179071.db2.gz OAZNQOPCKUPRCA-NSHDSACASA-N 1 0 393.893 -0.083 20 0 GBADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854467319 638179349 /nfs/dbraw/zinc/17/93/49/638179349.db2.gz DUJXGQHCRMTCAY-SECBINFHSA-N 1 0 380.264 -0.251 20 0 GBADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854467320 638179107 /nfs/dbraw/zinc/17/91/07/638179107.db2.gz DUJXGQHCRMTCAY-VIFPVBQESA-N 1 0 380.264 -0.251 20 0 GBADRO C[C@H](CC(=O)N[C@@H](CO)C[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467844 638179095 /nfs/dbraw/zinc/17/90/95/638179095.db2.gz YXPKRXSLYPUQJM-GHMZBOCLSA-N 1 0 378.882 -0.169 20 0 GBADRO C[C@H](CC(=O)N[C@H](CO)C[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467845 638179437 /nfs/dbraw/zinc/17/94/37/638179437.db2.gz YXPKRXSLYPUQJM-MNOVXSKESA-N 1 0 378.882 -0.169 20 0 GBADRO C[C@@H](CC(=O)N[C@H](CO)C[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467846 638179508 /nfs/dbraw/zinc/17/95/08/638179508.db2.gz YXPKRXSLYPUQJM-QWRGUYRKSA-N 1 0 378.882 -0.169 20 0 GBADRO C[C@@H](CC(=O)N[C@@H](CO)C[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000854467847 638179259 /nfs/dbraw/zinc/17/92/59/638179259.db2.gz YXPKRXSLYPUQJM-WDEREUQCSA-N 1 0 378.882 -0.169 20 0 GBADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000854468267 638179237 /nfs/dbraw/zinc/17/92/37/638179237.db2.gz PXFSNIJHYDOEFT-LLVKDONJSA-N 1 0 384.483 -0.050 20 0 GBADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000854468268 638179308 /nfs/dbraw/zinc/17/93/08/638179308.db2.gz PXFSNIJHYDOEFT-NSHDSACASA-N 1 0 384.483 -0.050 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@@H+]3CC[C@H]1C3)c2=O ZINC000854727144 638183010 /nfs/dbraw/zinc/18/30/10/638183010.db2.gz BNGWMCGSBPQSHS-VIFPVBQESA-N 1 0 381.234 -0.191 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854832144 638186118 /nfs/dbraw/zinc/18/61/18/638186118.db2.gz OLLIDQFRIJDVFT-CYBMUJFWSA-N 1 0 396.535 -0.929 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854832145 638186291 /nfs/dbraw/zinc/18/62/91/638186291.db2.gz OLLIDQFRIJDVFT-ZDUSSCGKSA-N 1 0 396.535 -0.929 20 0 GBADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854832381 638186782 /nfs/dbraw/zinc/18/67/82/638186782.db2.gz WCBYRXHZHLQALF-BETUJISGSA-N 1 0 380.536 -0.024 20 0 GBADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854832382 638186655 /nfs/dbraw/zinc/18/66/55/638186655.db2.gz WCBYRXHZHLQALF-CHWSQXEVSA-N 1 0 380.536 -0.024 20 0 GBADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854832383 638186955 /nfs/dbraw/zinc/18/69/55/638186955.db2.gz WCBYRXHZHLQALF-STQMWFEESA-N 1 0 380.536 -0.024 20 0 GBADRO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000854832602 638187650 /nfs/dbraw/zinc/18/76/50/638187650.db2.gz BGNMCHDSNYYZOK-UHFFFAOYSA-N 1 0 392.547 -0.023 20 0 GBADRO C[NH+]1CCC(CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 ZINC000854832949 638188478 /nfs/dbraw/zinc/18/84/78/638188478.db2.gz OLTDJXSVXRTRMT-UHFFFAOYSA-N 1 0 380.536 -0.165 20 0 GBADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854833410 638189626 /nfs/dbraw/zinc/18/96/26/638189626.db2.gz RFFDIBBEZHSENK-UHFFFAOYSA-N 1 0 389.503 -0.122 20 0 GBADRO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000854833763 638190490 /nfs/dbraw/zinc/19/04/90/638190490.db2.gz UOBPNIQBPDHKSQ-CYBMUJFWSA-N 1 0 378.520 -0.270 20 0 GBADRO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000854833764 638190456 /nfs/dbraw/zinc/19/04/56/638190456.db2.gz UOBPNIQBPDHKSQ-ZDUSSCGKSA-N 1 0 378.520 -0.270 20 0 GBADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854833834 638190517 /nfs/dbraw/zinc/19/05/17/638190517.db2.gz NITFFMWYIVRDGO-CYBMUJFWSA-N 1 0 380.536 -0.023 20 0 GBADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854833835 638190440 /nfs/dbraw/zinc/19/04/40/638190440.db2.gz NITFFMWYIVRDGO-ZDUSSCGKSA-N 1 0 380.536 -0.023 20 0 GBADRO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC[N@@H+]1C ZINC000854834093 638191083 /nfs/dbraw/zinc/19/10/83/638191083.db2.gz ZFYBWWBWUKDCJK-STQMWFEESA-N 1 0 380.536 -0.167 20 0 GBADRO C[NH+](C)CCONC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000854945811 638194518 /nfs/dbraw/zinc/19/45/18/638194518.db2.gz QQBXILUUCNVAGX-BFHYXJOUSA-N 1 0 375.491 -0.295 20 0 GBADRO C[NH+](C)CCONC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000854945812 638194696 /nfs/dbraw/zinc/19/46/96/638194696.db2.gz QQBXILUUCNVAGX-HZSPNIEDSA-N 1 0 375.491 -0.295 20 0 GBADRO C[NH+](C)CCONC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000854945813 638194917 /nfs/dbraw/zinc/19/49/17/638194917.db2.gz QQBXILUUCNVAGX-MELADBBJSA-N 1 0 375.491 -0.295 20 0 GBADRO C[NH+](C)CCONC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000854945814 638194872 /nfs/dbraw/zinc/19/48/72/638194872.db2.gz QQBXILUUCNVAGX-MGPQQGTHSA-N 1 0 375.491 -0.295 20 0 GBADRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000855638718 638200653 /nfs/dbraw/zinc/20/06/53/638200653.db2.gz RMCCIBCVSFUFDH-UHFFFAOYSA-N 1 0 383.250 -0.088 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000856728292 638203852 /nfs/dbraw/zinc/20/38/52/638203852.db2.gz QGZLSVJFBHQVQV-UHFFFAOYSA-N 1 0 375.539 -0.645 20 0 GBADRO C[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000857113604 638206824 /nfs/dbraw/zinc/20/68/24/638206824.db2.gz BWJHWQUKRRDFGD-BFHYXJOUSA-N 1 0 377.511 -0.595 20 0 GBADRO C[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000857113605 638206745 /nfs/dbraw/zinc/20/67/45/638206745.db2.gz BWJHWQUKRRDFGD-IHRRRGAJSA-N 1 0 377.511 -0.595 20 0 GBADRO C[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000857113606 638206679 /nfs/dbraw/zinc/20/66/79/638206679.db2.gz BWJHWQUKRRDFGD-MELADBBJSA-N 1 0 377.511 -0.595 20 0 GBADRO CS(=O)(=O)CC[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000857823974 638209416 /nfs/dbraw/zinc/20/94/16/638209416.db2.gz RXMYGUPPOHCADS-UHFFFAOYSA-N 1 0 376.500 -0.017 20 0 GBADRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000858103851 638210026 /nfs/dbraw/zinc/21/00/26/638210026.db2.gz YOVSGIWULDZYFJ-UHFFFAOYSA-N 1 0 376.866 -0.215 20 0 GBADRO C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC000858120930 638210053 /nfs/dbraw/zinc/21/00/53/638210053.db2.gz PQYUNIURUICSTO-UHFFFAOYSA-N 1 0 388.877 -0.119 20 0 GBADRO Cn1cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c(Br)n1 ZINC000858125639 638210198 /nfs/dbraw/zinc/21/01/98/638210198.db2.gz JGGWGWPQDSJVAT-UHFFFAOYSA-N 1 0 380.312 -0.151 20 0 GBADRO C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC000858166382 638210316 /nfs/dbraw/zinc/21/03/16/638210316.db2.gz LHMBYQXQSKGTGP-UHFFFAOYSA-N 1 0 388.877 -0.072 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000858175055 638210142 /nfs/dbraw/zinc/21/01/42/638210142.db2.gz FZECKWGQQVMGOL-UHFFFAOYSA-N 1 0 388.877 -0.071 20 0 GBADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000858247613 638210932 /nfs/dbraw/zinc/21/09/32/638210932.db2.gz ZAAZQLIGTQTAAH-UHFFFAOYSA-N 1 0 377.507 -0.056 20 0 GBADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[NH+](C)C ZINC000858411358 638211474 /nfs/dbraw/zinc/21/14/74/638211474.db2.gz IHBLJHIVVMCLGO-SECBINFHSA-N 1 0 376.866 -0.217 20 0 GBADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[NH+](C)C ZINC000858411359 638212012 /nfs/dbraw/zinc/21/20/12/638212012.db2.gz IHBLJHIVVMCLGO-VIFPVBQESA-N 1 0 376.866 -0.217 20 0 GBADRO Cn1cnc(S(=O)(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1Cl ZINC000858615206 638212410 /nfs/dbraw/zinc/21/24/10/638212410.db2.gz FWDBYHMEDCVXGD-UHFFFAOYSA-N 1 0 376.870 -0.595 20 0 GBADRO Cn1c(Cl)ncc1S(=O)(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000858616376 638212470 /nfs/dbraw/zinc/21/24/70/638212470.db2.gz MIYPNZPCTFHKAC-UHFFFAOYSA-N 1 0 376.870 -0.595 20 0 GBADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000858616954 638212931 /nfs/dbraw/zinc/21/29/31/638212931.db2.gz RVQLHCZPNGMUAA-UHFFFAOYSA-N 1 0 390.897 -0.287 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)nc1Cl ZINC000858617232 638213217 /nfs/dbraw/zinc/21/32/17/638213217.db2.gz UOAPGFOMTFXRHD-UHFFFAOYSA-N 1 0 376.870 -0.595 20 0 GBADRO COCCOCCS(=O)(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000858617723 638213155 /nfs/dbraw/zinc/21/31/55/638213155.db2.gz JGDFPJGWLAWYIM-KGLIPLIRSA-N 1 0 377.463 -0.764 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000858640935 638212857 /nfs/dbraw/zinc/21/28/57/638212857.db2.gz VXFAFWXRPYMKAU-CYBMUJFWSA-N 1 0 391.515 -0.016 20 0 GBADRO Cc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000858640936 638212982 /nfs/dbraw/zinc/21/29/82/638212982.db2.gz VXFAFWXRPYMKAU-ZDUSSCGKSA-N 1 0 391.515 -0.016 20 0 GBADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000858641973 638212960 /nfs/dbraw/zinc/21/29/60/638212960.db2.gz QNHRIGPEJDOFHR-GFCCVEGCSA-N 1 0 377.488 -0.325 20 0 GBADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000858641975 638213141 /nfs/dbraw/zinc/21/31/41/638213141.db2.gz QNHRIGPEJDOFHR-LBPRGKRZSA-N 1 0 377.488 -0.325 20 0 GBADRO Cn1nc(Br)c2c1ncnc2NCCNc1nc(N)[nH+]c(N)n1 ZINC000858645132 638212902 /nfs/dbraw/zinc/21/29/02/638212902.db2.gz IAVCKCCRWIYMBK-UHFFFAOYSA-N 1 0 380.214 -0.001 20 0 GBADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000858677383 638213162 /nfs/dbraw/zinc/21/31/62/638213162.db2.gz WNIFXAVOOZQMKW-JTQLQIEISA-N 1 0 388.877 -0.215 20 0 GBADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000858677384 638213235 /nfs/dbraw/zinc/21/32/35/638213235.db2.gz WNIFXAVOOZQMKW-SNVBAGLBSA-N 1 0 388.877 -0.215 20 0 GBADRO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C1CC1 ZINC000858761022 638213193 /nfs/dbraw/zinc/21/31/93/638213193.db2.gz KRJVINKCNPEZKJ-UHFFFAOYSA-N 1 0 388.877 -0.072 20 0 GBADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000859233848 638220295 /nfs/dbraw/zinc/22/02/95/638220295.db2.gz UHZIPVSWVJBPPJ-JTQLQIEISA-N 1 0 388.877 -0.072 20 0 GBADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000859233850 638220047 /nfs/dbraw/zinc/22/00/47/638220047.db2.gz UHZIPVSWVJBPPJ-SNVBAGLBSA-N 1 0 388.877 -0.072 20 0 GBADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000859363453 638222799 /nfs/dbraw/zinc/22/27/99/638222799.db2.gz YRGZYMIDOLPJBA-JTQLQIEISA-N 1 0 388.877 -0.072 20 0 GBADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000859363454 638222850 /nfs/dbraw/zinc/22/28/50/638222850.db2.gz YRGZYMIDOLPJBA-SNVBAGLBSA-N 1 0 388.877 -0.072 20 0 GBADRO CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000859807146 638226996 /nfs/dbraw/zinc/22/69/96/638226996.db2.gz DAXAWTGTNNTIPV-UHFFFAOYSA-N 1 0 376.866 -0.263 20 0 GBADRO CC1(C)CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC[NH2+]1 ZINC000859835273 638227080 /nfs/dbraw/zinc/22/70/80/638227080.db2.gz RCXJSGJOZXOYTJ-UHFFFAOYSA-N 1 0 388.877 -0.072 20 0 GBADRO COC(=O)[C@@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)O1 ZINC000859943132 638227658 /nfs/dbraw/zinc/22/76/58/638227658.db2.gz XUYUDDYAADGTMQ-MCIONIFRSA-N 1 0 376.475 -0.326 20 0 GBADRO COC(=O)[C@@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)O1 ZINC000859943133 638227776 /nfs/dbraw/zinc/22/77/76/638227776.db2.gz XUYUDDYAADGTMQ-MJBXVCDLSA-N 1 0 376.475 -0.326 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCC(NS(N)(=O)=O)CC2)C1 ZINC000859957130 638227923 /nfs/dbraw/zinc/22/79/23/638227923.db2.gz AJBNIYSOIUAOQF-HNNXBMFYSA-N 1 0 378.495 -0.384 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH+]2CCC(NS(N)(=O)=O)CC2)C1 ZINC000859957131 638227719 /nfs/dbraw/zinc/22/77/19/638227719.db2.gz AJBNIYSOIUAOQF-OAHLLOKOSA-N 1 0 378.495 -0.384 20 0 GBADRO CN(C[C@](C)(O)C[NH+]1CCC(NS(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000859957169 638227691 /nfs/dbraw/zinc/22/76/91/638227691.db2.gz BJXQTLSHJHXZLL-HNNXBMFYSA-N 1 0 380.511 -0.138 20 0 GBADRO CN(C[C@@](C)(O)C[NH+]1CCC(NS(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000859957170 638227637 /nfs/dbraw/zinc/22/76/37/638227637.db2.gz BJXQTLSHJHXZLL-OAHLLOKOSA-N 1 0 380.511 -0.138 20 0 GBADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859957489 638227786 /nfs/dbraw/zinc/22/77/86/638227786.db2.gz GBSUMYZRURUJRT-UHFFFAOYSA-N 1 0 375.476 -0.567 20 0 GBADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859958591 638227824 /nfs/dbraw/zinc/22/78/24/638227824.db2.gz VELMSNUOVCBDNQ-LCYFTJDESA-N 1 0 392.503 -0.776 20 0 GBADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859958592 638227905 /nfs/dbraw/zinc/22/79/05/638227905.db2.gz VELMSNUOVCBDNQ-UKTHLTGXSA-N 1 0 392.503 -0.776 20 0 GBADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000861516605 638238372 /nfs/dbraw/zinc/23/83/72/638238372.db2.gz JUHPEGIJNMQRFZ-UHFFFAOYSA-N 1 0 379.385 -0.026 20 0 GBADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000861518082 638238360 /nfs/dbraw/zinc/23/83/60/638238360.db2.gz ZCGRMRRHAQCSDX-UHFFFAOYSA-N 1 0 379.385 -0.026 20 0 GBADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000861519018 638238297 /nfs/dbraw/zinc/23/82/97/638238297.db2.gz CTEMPPVRWKQTQU-JTQLQIEISA-N 1 0 377.369 -0.274 20 0 GBADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000861519019 638238430 /nfs/dbraw/zinc/23/84/30/638238430.db2.gz CTEMPPVRWKQTQU-SNVBAGLBSA-N 1 0 377.369 -0.274 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000861575280 638238875 /nfs/dbraw/zinc/23/88/75/638238875.db2.gz LTNXWRYHWDTWHZ-LLVKDONJSA-N 1 0 388.412 -0.164 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC[C@H]1COCC[NH2+]1 ZINC000861575381 638239045 /nfs/dbraw/zinc/23/90/45/638239045.db2.gz LTNXWRYHWDTWHZ-NSHDSACASA-N 1 0 388.412 -0.164 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861592404 638239008 /nfs/dbraw/zinc/23/90/08/638239008.db2.gz LFUBCOQKAPXLBJ-HNNXBMFYSA-N 1 0 377.507 -0.152 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861592405 638238900 /nfs/dbraw/zinc/23/89/00/638238900.db2.gz LFUBCOQKAPXLBJ-OAHLLOKOSA-N 1 0 377.507 -0.152 20 0 GBADRO CC(C)S(=O)(=O)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861631977 638238863 /nfs/dbraw/zinc/23/88/63/638238863.db2.gz BQDXUIQATUCQSV-UHFFFAOYSA-N 1 0 375.495 -0.838 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000861669636 638238943 /nfs/dbraw/zinc/23/89/43/638238943.db2.gz AHZCGNXZCQRWMF-UHFFFAOYSA-N 1 0 377.511 -0.592 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000861702498 638239675 /nfs/dbraw/zinc/23/96/75/638239675.db2.gz PSUIRUZSFSJOKQ-VIFPVBQESA-N 1 0 376.866 -0.217 20 0 GBADRO CCN(CC[NH3+])C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000861738678 638239669 /nfs/dbraw/zinc/23/96/69/638239669.db2.gz AYUFCTLYXFAXNW-UHFFFAOYSA-N 1 0 388.412 -0.529 20 0 GBADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000861739744 638239588 /nfs/dbraw/zinc/23/95/88/638239588.db2.gz LJOTXXLUGCSEBY-SECBINFHSA-N 1 0 388.412 -0.530 20 0 GBADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000861739746 638239584 /nfs/dbraw/zinc/23/95/84/638239584.db2.gz LJOTXXLUGCSEBY-VIFPVBQESA-N 1 0 388.412 -0.530 20 0 GBADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861740486 638239531 /nfs/dbraw/zinc/23/95/31/638239531.db2.gz RZBQZMFCRCIGPD-SNVBAGLBSA-N 1 0 386.396 -0.858 20 0 GBADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000861743382 638239710 /nfs/dbraw/zinc/23/97/10/638239710.db2.gz VENFXYUUCKHVSO-JTQLQIEISA-N 1 0 376.866 -0.460 20 0 GBADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000861743383 638239552 /nfs/dbraw/zinc/23/95/52/638239552.db2.gz VENFXYUUCKHVSO-SNVBAGLBSA-N 1 0 376.866 -0.460 20 0 GBADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000861770995 638239546 /nfs/dbraw/zinc/23/95/46/638239546.db2.gz DNSNFNIHGWJRCD-WCBMZHEXSA-N 1 0 386.396 -0.717 20 0 GBADRO COc1ncc(Br)cc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000861797183 638239602 /nfs/dbraw/zinc/23/96/02/638239602.db2.gz QOXKUWHZWQWTCL-UHFFFAOYSA-N 1 0 375.223 -0.752 20 0 GBADRO C[NH+](C)CCONC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000861858034 638240197 /nfs/dbraw/zinc/24/01/97/638240197.db2.gz LRYLUDDNSQRWTI-UHFFFAOYSA-N 1 0 378.838 -0.673 20 0 GBADRO C[NH+](C)CC1CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000861859196 638240257 /nfs/dbraw/zinc/24/02/57/638240257.db2.gz CJTLSNGVGBHACK-UHFFFAOYSA-N 1 0 388.877 -0.263 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1 ZINC000861859740 638240349 /nfs/dbraw/zinc/24/03/49/638240349.db2.gz ALJNXRSWTFIVGN-JTQLQIEISA-N 1 0 386.861 -0.366 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1C[C@H]3[C@@H](C1)[C@@H]3[NH+](C)C)c2=O ZINC000861910422 638241261 /nfs/dbraw/zinc/24/12/61/638241261.db2.gz MEFAVGLBPAOZQB-GDGBQDQQSA-N 1 0 395.261 -0.089 20 0 GBADRO C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC000862008213 638242644 /nfs/dbraw/zinc/24/26/44/638242644.db2.gz MRCNWFLPQSJVCF-UHFFFAOYSA-N 1 0 388.877 -0.072 20 0 GBADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC000862186174 638244444 /nfs/dbraw/zinc/24/44/44/638244444.db2.gz NYOVFFNVISVEHX-UHFFFAOYSA-N 1 0 388.877 -0.263 20 0 GBADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000862206054 638244456 /nfs/dbraw/zinc/24/44/56/638244456.db2.gz CUJPKEHDJSCJEI-VIFPVBQESA-N 1 0 387.234 -0.026 20 0 GBADRO C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364544 638244919 /nfs/dbraw/zinc/24/49/19/638244919.db2.gz CCIKZLVKJHCFEB-CHWSQXEVSA-N 1 0 380.511 -0.004 20 0 GBADRO C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364546 638245337 /nfs/dbraw/zinc/24/53/37/638245337.db2.gz CCIKZLVKJHCFEB-OLZOCXBDSA-N 1 0 380.511 -0.004 20 0 GBADRO C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364547 638245481 /nfs/dbraw/zinc/24/54/81/638245481.db2.gz CCIKZLVKJHCFEB-QWHCGFSZSA-N 1 0 380.511 -0.004 20 0 GBADRO C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364548 638245415 /nfs/dbraw/zinc/24/54/15/638245415.db2.gz CCIKZLVKJHCFEB-STQMWFEESA-N 1 0 380.511 -0.004 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1CCS(=O)(=O)CC1 ZINC000862730136 638246597 /nfs/dbraw/zinc/24/65/97/638246597.db2.gz IMHNPGXBKUIXBM-GFCCVEGCSA-N 1 0 378.495 -0.407 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1CCS(=O)(=O)CC1 ZINC000862730137 638246895 /nfs/dbraw/zinc/24/68/95/638246895.db2.gz IMHNPGXBKUIXBM-LBPRGKRZSA-N 1 0 378.495 -0.407 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000862839917 638249800 /nfs/dbraw/zinc/24/98/00/638249800.db2.gz OSALYEZJHHWOGQ-GFCCVEGCSA-N 1 0 378.495 -0.409 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000862839918 638250394 /nfs/dbraw/zinc/25/03/94/638250394.db2.gz OSALYEZJHHWOGQ-LBPRGKRZSA-N 1 0 378.495 -0.409 20 0 GBADRO CCC1([NH+]2CCOCC2)CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000863242571 638252140 /nfs/dbraw/zinc/25/21/40/638252140.db2.gz SPCPFTBWADIZDI-UHFFFAOYSA-N 1 0 378.564 -0.013 20 0 GBADRO NS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1Br ZINC000863318019 638252185 /nfs/dbraw/zinc/25/21/85/638252185.db2.gz RYAQWCZTXWDNPA-SNVBAGLBSA-N 1 0 392.275 -0.107 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c2=O ZINC000863323488 638252161 /nfs/dbraw/zinc/25/21/61/638252161.db2.gz OJRRVLPBZPSIJP-SECBINFHSA-N 1 0 399.249 -0.925 20 0 GBADRO C[C@@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863323895 638252749 /nfs/dbraw/zinc/25/27/49/638252749.db2.gz WBKGIQXTTDBDAU-NWDGAFQWSA-N 1 0 390.893 -0.025 20 0 GBADRO C[C@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863323897 638252573 /nfs/dbraw/zinc/25/25/73/638252573.db2.gz WBKGIQXTTDBDAU-VXGBXAGGSA-N 1 0 390.893 -0.025 20 0 GBADRO NS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000863328479 638252642 /nfs/dbraw/zinc/25/26/42/638252642.db2.gz VIHXYOCCTRIHMD-SECBINFHSA-N 1 0 392.275 -0.107 20 0 GBADRO COCCS(=O)(=O)CCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550464 638254573 /nfs/dbraw/zinc/25/45/73/638254573.db2.gz XGROMNGOIJHNEJ-CABCVRRESA-N 1 0 375.491 -0.305 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)cs1 ZINC000863755186 638256739 /nfs/dbraw/zinc/25/67/39/638256739.db2.gz LBHRNBOUSKFUMB-JTQLQIEISA-N 1 0 389.503 -0.910 20 0 GBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)cs1 ZINC000863755187 638256575 /nfs/dbraw/zinc/25/65/75/638256575.db2.gz LBHRNBOUSKFUMB-SNVBAGLBSA-N 1 0 389.503 -0.910 20 0 GBADRO NS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000863830607 638257336 /nfs/dbraw/zinc/25/73/36/638257336.db2.gz VIHXYOCCTRIHMD-VIFPVBQESA-N 1 0 392.275 -0.107 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NCC[N@@H+]1CC[C@H](O)C1)c2=O ZINC000863831792 638257209 /nfs/dbraw/zinc/25/72/09/638257209.db2.gz OJRRVLPBZPSIJP-VIFPVBQESA-N 1 0 399.249 -0.925 20 0 GBADRO C[C@H](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863832241 638257230 /nfs/dbraw/zinc/25/72/30/638257230.db2.gz WBKGIQXTTDBDAU-NEPJUHHUSA-N 1 0 390.893 -0.025 20 0 GBADRO C[C@@H](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)NS(=O)(=O)c1cccnc1Cl ZINC000863832242 638257194 /nfs/dbraw/zinc/25/71/94/638257194.db2.gz WBKGIQXTTDBDAU-RYUDHWBXSA-N 1 0 390.893 -0.025 20 0 GBADRO NS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1Br ZINC000863835142 638257173 /nfs/dbraw/zinc/25/71/73/638257173.db2.gz RYAQWCZTXWDNPA-JTQLQIEISA-N 1 0 392.275 -0.107 20 0 GBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C1CCC1 ZINC000863859104 638257268 /nfs/dbraw/zinc/25/72/68/638257268.db2.gz KEPLAXLKILZXOD-AWEZNQCLSA-N 1 0 393.531 -0.868 20 0 GBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C1CCC1 ZINC000863859105 638257740 /nfs/dbraw/zinc/25/77/40/638257740.db2.gz KEPLAXLKILZXOD-CQSZACIVSA-N 1 0 393.531 -0.868 20 0 GBADRO C[NH+](C)C1CC(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000863913454 638257815 /nfs/dbraw/zinc/25/78/15/638257815.db2.gz MPMLIEYXMVHKFR-UHFFFAOYSA-N 1 0 388.877 -0.074 20 0 GBADRO C[NH2+]C1(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCC1 ZINC000863922236 638257650 /nfs/dbraw/zinc/25/76/50/638257650.db2.gz TVEJQTCYSBCWAK-UHFFFAOYSA-N 1 0 388.877 -0.025 20 0 GBADRO Cn1nc(I)cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000864058923 638259039 /nfs/dbraw/zinc/25/90/39/638259039.db2.gz CHXBFXGZZJEJKM-DTWKUNHWSA-N 1 0 376.198 -0.084 20 0 GBADRO COC1(CS(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCOCC1 ZINC000864097656 638259505 /nfs/dbraw/zinc/25/95/05/638259505.db2.gz DNBRBMFGXGWBJP-AWEZNQCLSA-N 1 0 377.507 -0.169 20 0 GBADRO COC1(CS(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCOCC1 ZINC000864097657 638259344 /nfs/dbraw/zinc/25/93/44/638259344.db2.gz DNBRBMFGXGWBJP-CQSZACIVSA-N 1 0 377.507 -0.169 20 0 GBADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000864647336 638260192 /nfs/dbraw/zinc/26/01/92/638260192.db2.gz LXFDSQWNLGSRCN-LBPRGKRZSA-N 1 0 378.495 -0.455 20 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ZINC000866738437 638266777 /nfs/dbraw/zinc/26/67/77/638266777.db2.gz YLEXKFMEBGKDMO-ZDUSSCGKSA-N 1 0 380.536 -0.117 20 0 GBADRO Cn1ncc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1I ZINC000866742189 638266608 /nfs/dbraw/zinc/26/66/08/638266608.db2.gz NKNGHXJBRKIBFI-MRVPVSSYSA-N 1 0 399.258 -0.712 20 0 GBADRO Cn1ncc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1I ZINC000866742190 638266615 /nfs/dbraw/zinc/26/66/15/638266615.db2.gz NKNGHXJBRKIBFI-QMMMGPOBSA-N 1 0 399.258 -0.712 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000866744153 638266884 /nfs/dbraw/zinc/26/68/84/638266884.db2.gz JFRZWBJCKMFQAC-UHFFFAOYSA-N 1 0 397.567 -0.881 20 0 GBADRO Cn1ncc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c1I ZINC000866756689 638266837 /nfs/dbraw/zinc/26/68/37/638266837.db2.gz UOHIRVVLOHJQAM-SSDOTTSWSA-N 1 0 386.215 -0.627 20 0 GBADRO Cn1ncc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c1I ZINC000866756690 638266762 /nfs/dbraw/zinc/26/67/62/638266762.db2.gz UOHIRVVLOHJQAM-ZETCQYMHSA-N 1 0 386.215 -0.627 20 0 GBADRO 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DGNCZYTYGNQOIP-JTQLQIEISA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Br ZINC000866763362 638267307 /nfs/dbraw/zinc/26/73/07/638267307.db2.gz DGNCZYTYGNQOIP-SNVBAGLBSA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)n1 ZINC000866764049 638267300 /nfs/dbraw/zinc/26/73/00/638267300.db2.gz KSIAJMLGDWVOEI-JTQLQIEISA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)n1 ZINC000866764050 638267272 /nfs/dbraw/zinc/26/72/72/638267272.db2.gz KSIAJMLGDWVOEI-SNVBAGLBSA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866765702 638267659 /nfs/dbraw/zinc/26/76/59/638267659.db2.gz ZDKXZXXMNOVFMI-JTQLQIEISA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866765703 638267420 /nfs/dbraw/zinc/26/74/20/638267420.db2.gz ZDKXZXXMNOVFMI-SNVBAGLBSA-N 1 0 378.296 -0.149 20 0 GBADRO Cn1ncc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1I ZINC000866770946 638267582 /nfs/dbraw/zinc/26/75/82/638267582.db2.gz JGJHDRDYRVCKBL-SSDOTTSWSA-N 1 0 386.215 -0.709 20 0 GBADRO Cn1ncc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1I ZINC000866770947 638267281 /nfs/dbraw/zinc/26/72/81/638267281.db2.gz JGJHDRDYRVCKBL-ZETCQYMHSA-N 1 0 386.215 -0.709 20 0 GBADRO C[NH2+]CCOCCNS(=O)(=O)c1cnn(C)c1I ZINC000866778609 638267553 /nfs/dbraw/zinc/26/75/53/638267553.db2.gz ANLLWYSIZSYYFC-UHFFFAOYSA-N 1 0 388.231 -0.461 20 0 GBADRO O=C(N1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000866778957 638267596 /nfs/dbraw/zinc/26/75/96/638267596.db2.gz GMASGCKINDLWBV-UHFFFAOYSA-N 1 0 375.401 -0.309 20 0 GBADRO Cn1ncc(S(=O)(=O)NCCOCCC[NH3+])c1I ZINC000866780196 638268122 /nfs/dbraw/zinc/26/81/22/638268122.db2.gz ASPXXSWDUHVKPT-UHFFFAOYSA-N 1 0 388.231 -0.332 20 0 GBADRO CN(CCOCC[NH3+])S(=O)(=O)c1cnn(C)c1I ZINC000866780377 638268336 /nfs/dbraw/zinc/26/83/36/638268336.db2.gz FTMQVAILYNCYTC-UHFFFAOYSA-N 1 0 388.231 -0.380 20 0 GBADRO 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C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1nc[nH]c1Br ZINC000866841391 637348619 /nfs/dbraw/zinc/34/86/19/637348619.db2.gz BBCBYIYBYDJLAY-UHFFFAOYSA-N 1 0 385.284 -0.267 20 0 GBADRO Cn1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(Br)n1 ZINC000866841409 637348546 /nfs/dbraw/zinc/34/85/46/637348546.db2.gz BJIRTEHDYHFASW-UHFFFAOYSA-N 1 0 399.311 -0.256 20 0 GBADRO Cn1ncc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c1Br ZINC000866841604 637348417 /nfs/dbraw/zinc/34/84/17/637348417.db2.gz HVURZHSBXAQEBT-UHFFFAOYSA-N 1 0 399.311 -0.256 20 0 GBADRO COC(=O)CCN(C1CCOCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866898295 1073931427 /nfs/dbraw/zinc/93/14/27/1073931427.db2.gz SISMTAHXTJIKHV-UHFFFAOYSA-N 1 0 391.534 -0.002 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000866959945 1073901673 /nfs/dbraw/zinc/90/16/73/1073901673.db2.gz IEIUSYBHLNMEDV-UHFFFAOYSA-N 1 0 391.534 -0.409 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)CC1 ZINC000866967649 637418826 /nfs/dbraw/zinc/41/88/26/637418826.db2.gz YFSRAHPIRWJVLO-CYBMUJFWSA-N 1 0 385.577 -0.627 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)CC1 ZINC000866967650 637418803 /nfs/dbraw/zinc/41/88/03/637418803.db2.gz YFSRAHPIRWJVLO-ZDUSSCGKSA-N 1 0 385.577 -0.627 20 0 GBADRO CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866972544 637555389 /nfs/dbraw/zinc/55/53/89/637555389.db2.gz UKPIDBCDBUNXHX-AWEZNQCLSA-N 1 0 396.579 -0.315 20 0 GBADRO COC(=O)C[C@@]1(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCOC1 ZINC000867122403 638032280 /nfs/dbraw/zinc/03/22/80/638032280.db2.gz VGKMMAXQUPKCSX-INIZCTEOSA-N 1 0 377.507 -0.344 20 0 GBADRO COC(=O)C[C@]1(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCOC1 ZINC000867122406 638032448 /nfs/dbraw/zinc/03/24/48/638032448.db2.gz VGKMMAXQUPKCSX-MRXNPFEDSA-N 1 0 377.507 -0.344 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)CC1 ZINC000867401904 638066005 /nfs/dbraw/zinc/06/60/05/638066005.db2.gz QPOIHGMLSJKDAG-AWEZNQCLSA-N 1 0 394.563 -0.328 20 0 GBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000867442897 1072282666 /nfs/dbraw/zinc/28/26/66/1072282666.db2.gz NYOCKSFBDPAKFN-UHFFFAOYSA-N 1 0 384.521 -0.406 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867450037 638034616 /nfs/dbraw/zinc/03/46/16/638034616.db2.gz CQGMENTWPLQTPV-SECBINFHSA-N 1 0 394.295 -0.077 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867450038 638034678 /nfs/dbraw/zinc/03/46/78/638034678.db2.gz CQGMENTWPLQTPV-VIFPVBQESA-N 1 0 394.295 -0.077 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1nc[nH]c1Br ZINC000867450066 638269071 /nfs/dbraw/zinc/26/90/71/638269071.db2.gz DSDWZSIWKLSXOK-MRVPVSSYSA-N 1 0 380.268 -0.087 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1nc[nH]c1Br ZINC000867450067 638268965 /nfs/dbraw/zinc/26/89/65/638268965.db2.gz DSDWZSIWKLSXOK-QMMMGPOBSA-N 1 0 380.268 -0.087 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cnn(C)c1Br ZINC000867451680 638269020 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CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000874450941 638286418 /nfs/dbraw/zinc/28/64/18/638286418.db2.gz TVMRWQSZZOBJAI-UHFFFAOYSA-N 1 0 375.535 -0.030 20 0 GBADRO CC[C@H]1COCCN1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700136 638287077 /nfs/dbraw/zinc/28/70/77/638287077.db2.gz NNFUAOYWNFUOIB-JTQLQIEISA-N 1 0 389.250 -0.062 20 0 GBADRO CC[C@@H]1COCCN1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700138 638286946 /nfs/dbraw/zinc/28/69/46/638286946.db2.gz NNFUAOYWNFUOIB-SNVBAGLBSA-N 1 0 389.250 -0.062 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN([S@](C)(=N)=O)CC2)CCSC1 ZINC000875073062 638286929 /nfs/dbraw/zinc/28/69/29/638286929.db2.gz AKGIXRWBLQIFFO-BSEYFRJRSA-N 1 0 377.536 -0.724 20 0 GBADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)CCSC1 ZINC000875073064 638287149 /nfs/dbraw/zinc/28/71/49/638287149.db2.gz AKGIXRWBLQIFFO-JBEBIEQOSA-N 1 0 377.536 -0.724 20 0 GBADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN([S@@](C)(=N)=O)CC2)CCSC1 ZINC000875073066 638287108 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20 0 GBADRO O=C(NCc1ncc(Br)s1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000875783467 638289647 /nfs/dbraw/zinc/28/96/47/638289647.db2.gz GBWUUBZYPAIHSK-DTWKUNHWSA-N 1 0 389.275 -0.201 20 0 GBADRO COCC[N@H+]1[C@H](C)CN(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)C[C@@H]1C ZINC000875887659 638289599 /nfs/dbraw/zinc/28/95/99/638289599.db2.gz IEBVFWJZCUGZJK-BETUJISGSA-N 1 0 377.511 -0.772 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000876218554 638289778 /nfs/dbraw/zinc/28/97/78/638289778.db2.gz AAJGJYCTJYLGAD-AWEZNQCLSA-N 1 0 375.539 -0.278 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000876218561 638289868 /nfs/dbraw/zinc/28/98/68/638289868.db2.gz AAJGJYCTJYLGAD-CQSZACIVSA-N 1 0 375.539 -0.278 20 0 GBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC000876219244 638289930 /nfs/dbraw/zinc/28/99/30/638289930.db2.gz CFGHPIKEJONPNN-UHFFFAOYSA-N 1 0 377.555 -0.032 20 0 GBADRO Cn1ncc(I)c1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000876300918 638290473 /nfs/dbraw/zinc/29/04/73/638290473.db2.gz LULVYNUKJXHAHK-GFCCVEGCSA-N 1 0 393.229 -0.110 20 0 GBADRO Cn1ncc(I)c1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000876300919 638290317 /nfs/dbraw/zinc/29/03/17/638290317.db2.gz LULVYNUKJXHAHK-LBPRGKRZSA-N 1 0 393.229 -0.110 20 0 GBADRO Cn1ncc(I)c1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000876301225 638290399 /nfs/dbraw/zinc/29/03/99/638290399.db2.gz WZRYAWTZNYTKTA-SECBINFHSA-N 1 0 393.229 -0.110 20 0 GBADRO Cn1ncc(I)c1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000876301226 638290331 /nfs/dbraw/zinc/29/03/31/638290331.db2.gz WZRYAWTZNYTKTA-VIFPVBQESA-N 1 0 393.229 -0.110 20 0 GBADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000876471824 638290363 /nfs/dbraw/zinc/29/03/63/638290363.db2.gz QKPGQHNIWTVSMY-INIZCTEOSA-N 1 0 377.507 -0.536 20 0 GBADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000876471832 638290465 /nfs/dbraw/zinc/29/04/65/638290465.db2.gz QKPGQHNIWTVSMY-MRXNPFEDSA-N 1 0 377.507 -0.536 20 0 GBADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1c(Br)nnn1C ZINC000876474709 638290410 /nfs/dbraw/zinc/29/04/10/638290410.db2.gz GJJJFWQHMUDRBF-CYBMUJFWSA-N 1 0 376.255 -0.003 20 0 GBADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1c(Br)nnn1C ZINC000876474711 638290520 /nfs/dbraw/zinc/29/05/20/638290520.db2.gz GJJJFWQHMUDRBF-ZDUSSCGKSA-N 1 0 376.255 -0.003 20 0 GBADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876476886 638290381 /nfs/dbraw/zinc/29/03/81/638290381.db2.gz HVRJZZBBMCUQCJ-GOEBONIOSA-N 1 0 377.507 -0.536 20 0 GBADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876476887 638290542 /nfs/dbraw/zinc/29/05/42/638290542.db2.gz HVRJZZBBMCUQCJ-HOCLYGCPSA-N 1 0 377.507 -0.536 20 0 GBADRO Cn1nc(I)cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876511581 638291165 /nfs/dbraw/zinc/29/11/65/638291165.db2.gz NIKYGFLBEWSQRP-UHFFFAOYSA-N 1 0 377.186 -0.814 20 0 GBADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000876517387 638291212 /nfs/dbraw/zinc/29/12/12/638291212.db2.gz POCUYEAPGPYZOR-LLVKDONJSA-N 1 0 385.262 -0.076 20 0 GBADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000876517388 638290978 /nfs/dbraw/zinc/29/09/78/638290978.db2.gz POCUYEAPGPYZOR-NSHDSACASA-N 1 0 385.262 -0.076 20 0 GBADRO C[NH+](C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000876554430 638291081 /nfs/dbraw/zinc/29/10/81/638291081.db2.gz NLEJZZGGHORVQR-ZDUSSCGKSA-N 1 0 376.429 -0.313 20 0 GBADRO C[NH+](C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000876564697 638291155 /nfs/dbraw/zinc/29/11/55/638291155.db2.gz ULCDLJDKQHKCBL-ZDUSSCGKSA-N 1 0 376.429 -0.313 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000876569278 638291191 /nfs/dbraw/zinc/29/11/91/638291191.db2.gz FICCAQHJTZALEV-INIZCTEOSA-N 1 0 376.523 -0.124 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000876569279 638290993 /nfs/dbraw/zinc/29/09/93/638290993.db2.gz FICCAQHJTZALEV-MRXNPFEDSA-N 1 0 376.523 -0.124 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000876569830 638291174 /nfs/dbraw/zinc/29/11/74/638291174.db2.gz MXIOKMITEIQLMK-DEOSSOPVSA-N 1 0 394.563 -0.782 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000876569831 638291027 /nfs/dbraw/zinc/29/10/27/638291027.db2.gz MXIOKMITEIQLMK-XMMPIXPASA-N 1 0 394.563 -0.782 20 0 GBADRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876600974 638291598 /nfs/dbraw/zinc/29/15/98/638291598.db2.gz WJPPKHVNCZYXFV-HNNXBMFYSA-N 1 0 375.539 -0.471 20 0 GBADRO COC[C@]1(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C[NH2+]CCO1 ZINC000876660956 638291573 /nfs/dbraw/zinc/29/15/73/638291573.db2.gz IOTXLGFARDMRAR-AWEZNQCLSA-N 1 0 385.433 -0.628 20 0 GBADRO COC[C@@]1(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C[NH2+]CCO1 ZINC000876660957 638291944 /nfs/dbraw/zinc/29/19/44/638291944.db2.gz IOTXLGFARDMRAR-CQSZACIVSA-N 1 0 385.433 -0.628 20 0 GBADRO COC[C@@]1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[NH2+]CCO1 ZINC000876691619 638291903 /nfs/dbraw/zinc/29/19/03/638291903.db2.gz LWHPDTVVPXAVCW-GFCCVEGCSA-N 1 0 389.396 -0.578 20 0 GBADRO COC[C@]1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[NH2+]CCO1 ZINC000876691624 638291733 /nfs/dbraw/zinc/29/17/33/638291733.db2.gz LWHPDTVVPXAVCW-LBPRGKRZSA-N 1 0 389.396 -0.578 20 0 GBADRO COC[C@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)C[NH2+]CCO1 ZINC000876904829 638291872 /nfs/dbraw/zinc/29/18/72/638291872.db2.gz LQMXTIZAKKARGI-INIZCTEOSA-N 1 0 377.507 -0.442 20 0 GBADRO COC[C@@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)C[NH2+]CCO1 ZINC000876904830 638291807 /nfs/dbraw/zinc/29/18/07/638291807.db2.gz LQMXTIZAKKARGI-MRXNPFEDSA-N 1 0 377.507 -0.442 20 0 GBADRO C[NH+](C)C[C@H](N)C(=O)N1CCC(n2nncc2I)CC1 ZINC000876969539 638291775 /nfs/dbraw/zinc/29/17/75/638291775.db2.gz RVTXIXFRMMORMQ-JTQLQIEISA-N 1 0 392.245 -0.065 20 0 GBADRO Cn1ncc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1Br ZINC000876995222 638291979 /nfs/dbraw/zinc/29/19/79/638291979.db2.gz CBLDKMFFNMFQDF-UHFFFAOYSA-N 1 0 385.266 -0.034 20 0 GBADRO 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CC(C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000891752583 1072209057 /nfs/dbraw/zinc/20/90/57/1072209057.db2.gz MFBHNTIWTGEONS-PMPSAXMXSA-N 1 0 389.566 -0.176 20 0 GBADRO CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)[NH+]1CCN(C)CC1 ZINC000891752918 1072209263 /nfs/dbraw/zinc/20/92/63/1072209263.db2.gz PVAWUOWYQUKDIR-INIZCTEOSA-N 1 0 389.566 -0.017 20 0 GBADRO CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)[NH+]1CCN(C)CC1 ZINC000891752919 1072209352 /nfs/dbraw/zinc/20/93/52/1072209352.db2.gz PVAWUOWYQUKDIR-MRXNPFEDSA-N 1 0 389.566 -0.017 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000891755752 637359799 /nfs/dbraw/zinc/35/97/99/637359799.db2.gz KUDABZXDNUZWPP-UHFFFAOYSA-N 1 0 375.539 -0.311 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]3CSC[C@@H]3C2)cn1 ZINC000891758489 1072208775 /nfs/dbraw/zinc/20/87/75/1072208775.db2.gz RWIMOYADJQRNPK-BETUJISGSA-N 1 0 394.501 -0.679 20 0 GBADRO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891766236 1072209796 /nfs/dbraw/zinc/20/97/96/1072209796.db2.gz XVQYUYHZCRVOKD-BEAPCOKYSA-N 1 0 377.445 -0.426 20 0 GBADRO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891766239 1072209863 /nfs/dbraw/zinc/20/98/63/1072209863.db2.gz XVQYUYHZCRVOKD-MHEUCROKSA-N 1 0 377.445 -0.426 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000891766272 1072210320 /nfs/dbraw/zinc/21/03/20/1072210320.db2.gz YJZLDIQPFWWBFW-UHFFFAOYSA-N 1 0 396.513 -0.082 20 0 GBADRO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891766521 1072209941 /nfs/dbraw/zinc/20/99/41/1072209941.db2.gz XVQYUYHZCRVOKD-MYPMTAMASA-N 1 0 377.445 -0.426 20 0 GBADRO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891766522 1072210254 /nfs/dbraw/zinc/21/02/54/1072210254.db2.gz XVQYUYHZCRVOKD-NGFQHRJXSA-N 1 0 377.445 -0.426 20 0 GBADRO CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC[N@H+](C)CC1 ZINC000891768440 1072211291 /nfs/dbraw/zinc/21/12/91/1072211291.db2.gz VLZZXNHZXJTOHS-UHFFFAOYSA-N 1 0 383.518 -0.146 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000891804504 637359970 /nfs/dbraw/zinc/35/99/70/637359970.db2.gz XUMPCGPWJAQFQT-HNNXBMFYSA-N 1 0 376.523 -0.533 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000891804511 637359545 /nfs/dbraw/zinc/35/95/45/637359545.db2.gz XUMPCGPWJAQFQT-OAHLLOKOSA-N 1 0 376.523 -0.533 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000891805074 1072220964 /nfs/dbraw/zinc/22/09/64/1072220964.db2.gz DDHKRNJHWNTGKZ-GDBMZVCRSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000891805075 1072220508 /nfs/dbraw/zinc/22/05/08/1072220508.db2.gz DDHKRNJHWNTGKZ-GOEBONIOSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000891805076 1072220896 /nfs/dbraw/zinc/22/08/96/1072220896.db2.gz DDHKRNJHWNTGKZ-HOCLYGCPSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](CO)C1 ZINC000891805080 1072220622 /nfs/dbraw/zinc/22/06/22/1072220622.db2.gz DDHKRNJHWNTGKZ-ZBFHGGJFSA-N 1 0 385.509 -0.239 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000891805141 637359517 /nfs/dbraw/zinc/35/95/17/637359517.db2.gz DWHCXGLBFNZACI-UHFFFAOYSA-N 1 0 375.539 -0.263 20 0 GBADRO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1CS(N)(=O)=O ZINC000891805696 637359462 /nfs/dbraw/zinc/35/94/62/637359462.db2.gz OZYREWPIHJYULW-KGLIPLIRSA-N 1 0 375.539 -0.422 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CC4(C3)NC(=O)NC4=O)cc2)CC1 ZINC000891811353 1072221388 /nfs/dbraw/zinc/22/13/88/1072221388.db2.gz CRJRQCUHWCYUQV-UHFFFAOYSA-N 1 0 386.456 -0.463 20 0 GBADRO O=S(=O)(CCNc1cc[nH+]cc1CO)N1CCN(c2ccccn2)CC1 ZINC000891816041 1072222583 /nfs/dbraw/zinc/22/25/83/1072222583.db2.gz JUMQEYOPZDLPHH-UHFFFAOYSA-N 1 0 377.470 -0.045 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)C[C@H]2C1 ZINC000891823111 1072224598 /nfs/dbraw/zinc/22/45/98/1072224598.db2.gz JRQIKXNAGPJTLG-CALCHBBNSA-N 1 0 385.468 -0.038 20 0 GBADRO O=C(NCC1(N2CCOCC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891858182 1072233093 /nfs/dbraw/zinc/23/30/93/1072233093.db2.gz LROHYBJZJHUWIH-KFWWJZLASA-N 1 0 379.461 -0.572 20 0 GBADRO O=C(NCC1(N2CCOCC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891858183 1072233338 /nfs/dbraw/zinc/23/33/38/1072233338.db2.gz LROHYBJZJHUWIH-ZNMIVQPWSA-N 1 0 379.461 -0.572 20 0 GBADRO CCn1cccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1=O ZINC000891859694 1072233034 /nfs/dbraw/zinc/23/30/34/1072233034.db2.gz KBSUBQXABPFVHG-KFWWJZLASA-N 1 0 375.429 -0.055 20 0 GBADRO CCn1cccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1=O ZINC000891859695 1072233342 /nfs/dbraw/zinc/23/33/42/1072233342.db2.gz KBSUBQXABPFVHG-ZNMIVQPWSA-N 1 0 375.429 -0.055 20 0 GBADRO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000891864764 1072233960 /nfs/dbraw/zinc/23/39/60/1072233960.db2.gz BLBKHPZFCYYCHI-HIFRSBDPSA-N 1 0 394.497 -0.074 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCN3CCNC3=O)cc2)CC1 ZINC000891922980 1072245755 /nfs/dbraw/zinc/24/57/55/1072245755.db2.gz BGVCSOISIQXMLK-UHFFFAOYSA-N 1 0 388.472 -0.092 20 0 GBADRO CCCNC(=O)CN1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000891927339 1072246085 /nfs/dbraw/zinc/24/60/85/1072246085.db2.gz SLQNLVRPZSHEAZ-UHFFFAOYSA-N 1 0 382.553 -0.134 20 0 GBADRO CN1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC[N@H+](C)CC1 ZINC000891927597 1072246254 /nfs/dbraw/zinc/24/62/54/1072246254.db2.gz WOAWDKBCNJZMSU-UHFFFAOYSA-N 1 0 397.545 -0.005 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCNC3=O)c2)CC1 ZINC000891929143 1072247174 /nfs/dbraw/zinc/24/71/74/1072247174.db2.gz BOCSGFHIGVUISW-UHFFFAOYSA-N 1 0 388.472 -0.092 20 0 GBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCN3CCNC3=O)cc2)CC1 ZINC000891929255 1072246903 /nfs/dbraw/zinc/24/69/03/1072246903.db2.gz KCVPQUVRBXSRHX-UHFFFAOYSA-N 1 0 388.472 -0.092 20 0 GBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CCNC3=O)c2)CC1 ZINC000891929883 1072247317 /nfs/dbraw/zinc/24/73/17/1072247317.db2.gz QKKHBJUSCOQTQQ-UHFFFAOYSA-N 1 0 388.472 -0.486 20 0 GBADRO O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891954184 1072255626 /nfs/dbraw/zinc/25/56/26/1072255626.db2.gz TYHGMIBTAMBFAF-AHDPXTMNSA-N 1 0 377.445 -0.284 20 0 GBADRO O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891954189 1072255750 /nfs/dbraw/zinc/25/57/50/1072255750.db2.gz TYHGMIBTAMBFAF-JARUQAPTSA-N 1 0 377.445 -0.284 20 0 GBADRO O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891954192 1072255822 /nfs/dbraw/zinc/25/58/22/1072255822.db2.gz TYHGMIBTAMBFAF-KHMAMNHCSA-N 1 0 377.445 -0.284 20 0 GBADRO O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891954201 1072255971 /nfs/dbraw/zinc/25/59/71/1072255971.db2.gz TYHGMIBTAMBFAF-RYPNDVFKSA-N 1 0 377.445 -0.284 20 0 GBADRO Cc1ccccc1CN1CCO[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970373 1072273859 /nfs/dbraw/zinc/27/38/59/1072273859.db2.gz JMBACXKCQZNVSK-GOSISDBHSA-N 1 0 389.500 -0.073 20 0 GBADRO Cc1ccccc1CN1CCO[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970374 1072273591 /nfs/dbraw/zinc/27/35/91/1072273591.db2.gz JMBACXKCQZNVSK-SFHVURJKSA-N 1 0 389.500 -0.073 20 0 GBADRO Cc1cccc(CN2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970469 1072273251 /nfs/dbraw/zinc/27/32/51/1072273251.db2.gz KWFDBILQPMNJIF-GOSISDBHSA-N 1 0 389.500 -0.073 20 0 GBADRO Cc1cccc(CN2CCO[C@@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000891970471 1072273358 /nfs/dbraw/zinc/27/33/58/1072273358.db2.gz KWFDBILQPMNJIF-SFHVURJKSA-N 1 0 389.500 -0.073 20 0 GBADRO Cc1ccc(CN2CCO[C@H](CNC(=O)NCC(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000891970768 1072274731 /nfs/dbraw/zinc/27/47/31/1072274731.db2.gz NTBCCZARNLBGAJ-GOSISDBHSA-N 1 0 389.500 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RPCVWFKHVQAGON-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO Cn1c2ncn(CCOC(=O)C34CCC[NH+](CCC3)C4)c2c(=O)n(C)c1=O ZINC000892430347 1072664427 /nfs/dbraw/zinc/66/44/27/1072664427.db2.gz HPFLUKZGVOFOGU-UHFFFAOYSA-N 1 0 375.429 -0.147 20 0 GBADRO [NH3+]CC12CCC(CC1)N2C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000892473371 1072782587 /nfs/dbraw/zinc/78/25/87/1072782587.db2.gz SKMZMOYFBVIOGM-UHFFFAOYSA-N 1 0 387.506 -0.743 20 0 GBADRO [NH3+]CC12CCC(CC1)N2C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000892475324 1072785881 /nfs/dbraw/zinc/78/58/81/1072785881.db2.gz VXFOHARJTFFOQM-UHFFFAOYSA-N 1 0 379.461 -0.935 20 0 GBADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000892494319 1072816265 /nfs/dbraw/zinc/81/62/65/1072816265.db2.gz CINDCWGRFJIPHU-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000892494320 1072816401 /nfs/dbraw/zinc/81/64/01/1072816401.db2.gz CINDCWGRFJIPHU-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000892497904 1072822765 /nfs/dbraw/zinc/82/27/65/1072822765.db2.gz AAXWOBMVNVQLQK-HNNXBMFYSA-N 1 0 395.504 -0.523 20 0 GBADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000892497905 1072822447 /nfs/dbraw/zinc/82/24/47/1072822447.db2.gz AAXWOBMVNVQLQK-OAHLLOKOSA-N 1 0 395.504 -0.523 20 0 GBADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000892497929 1072822692 /nfs/dbraw/zinc/82/26/92/1072822692.db2.gz AMKFOLHTTFOBJK-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000892497930 1072822133 /nfs/dbraw/zinc/82/21/33/1072822133.db2.gz AMKFOLHTTFOBJK-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO C[NH+](C)C1(C)CCC(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000892532034 1072922611 /nfs/dbraw/zinc/92/26/11/1072922611.db2.gz GMAHWBWNCQFOGC-UHFFFAOYSA-N 1 0 387.550 -0.122 20 0 GBADRO CN1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)CC1 ZINC000892538347 637371799 /nfs/dbraw/zinc/37/17/99/637371799.db2.gz MWKFBXZWDXJRQJ-UHFFFAOYSA-N 1 0 375.539 -0.453 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892538660 1072932789 /nfs/dbraw/zinc/93/27/89/1072932789.db2.gz VUTJSZHVPZQVDV-CVEARBPZSA-N 1 0 388.534 -0.101 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892538661 1072933465 /nfs/dbraw/zinc/93/34/65/1072933465.db2.gz VUTJSZHVPZQVDV-HOTGVXAUSA-N 1 0 388.534 -0.101 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892538662 1072933195 /nfs/dbraw/zinc/93/31/95/1072933195.db2.gz VUTJSZHVPZQVDV-HZPDHXFCSA-N 1 0 388.534 -0.101 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892538664 1072932822 /nfs/dbraw/zinc/93/28/22/1072932822.db2.gz VUTJSZHVPZQVDV-JKSUJKDBSA-N 1 0 388.534 -0.101 20 0 GBADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000892559353 1072949320 /nfs/dbraw/zinc/94/93/20/1072949320.db2.gz KGELHOVIUUCGKL-GASCZTMLSA-N 1 0 375.477 -0.118 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892565714 1072952277 /nfs/dbraw/zinc/95/22/77/1072952277.db2.gz HSBDVVMRFAFEJI-UHFFFAOYSA-N 1 0 387.550 -0.120 20 0 GBADRO CC1(C)CC[N@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000892566861 637372416 /nfs/dbraw/zinc/37/24/16/637372416.db2.gz PPGHZOKRHREAEE-UHFFFAOYSA-N 1 0 375.539 -0.405 20 0 GBADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000892568258 1072952406 /nfs/dbraw/zinc/95/24/06/1072952406.db2.gz XTOKEBBFBNTWBM-INIZCTEOSA-N 1 0 389.566 -0.063 20 0 GBADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000892568259 1072952191 /nfs/dbraw/zinc/95/21/91/1072952191.db2.gz XTOKEBBFBNTWBM-MRXNPFEDSA-N 1 0 389.566 -0.063 20 0 GBADRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000892568392 637372593 /nfs/dbraw/zinc/37/25/93/637372593.db2.gz ZLCVZTURTKBRJD-UHFFFAOYSA-N 1 0 377.555 -0.207 20 0 GBADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000892576061 1072957672 /nfs/dbraw/zinc/95/76/72/1072957672.db2.gz KGELHOVIUUCGKL-SHTZXODSSA-N 1 0 375.477 -0.118 20 0 GBADRO O=C(CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCOCC1 ZINC000892598944 1072966085 /nfs/dbraw/zinc/96/60/85/1072966085.db2.gz OUOZMFXHIRKBKC-BJWYYQGGSA-N 1 0 379.505 -0.297 20 0 GBADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000892604566 1072972386 /nfs/dbraw/zinc/97/23/86/1072972386.db2.gz GALOIEUNHIEASR-MUJYYYPQSA-N 1 0 377.489 -0.007 20 0 GBADRO O=C(CN1CCOCC1)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892606541 1072975166 /nfs/dbraw/zinc/97/51/66/1072975166.db2.gz ICHCTVANZDSBPI-BJWYYQGGSA-N 1 0 379.505 -0.297 20 0 GBADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000892607389 1072975464 /nfs/dbraw/zinc/97/54/64/1072975464.db2.gz UOEGBUCTZZHHCS-MUJYYYPQSA-N 1 0 393.488 -0.770 20 0 GBADRO O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000892607749 1072974965 /nfs/dbraw/zinc/97/49/65/1072974965.db2.gz BAUMRXWETNRDTB-APWZRJJASA-N 1 0 396.488 -0.586 20 0 GBADRO O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000892607753 1072975497 /nfs/dbraw/zinc/97/54/97/1072975497.db2.gz BAUMRXWETNRDTB-LPHOPBHVSA-N 1 0 396.488 -0.586 20 0 GBADRO O=C(NC[C@]12COCCN1C(=O)COC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000892607755 1072975544 /nfs/dbraw/zinc/97/55/44/1072975544.db2.gz BAUMRXWETNRDTB-QFBILLFUSA-N 1 0 396.488 -0.586 20 0 GBADRO O=C(NC[C@]12COCCN1C(=O)COC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000892607758 1072975048 /nfs/dbraw/zinc/97/50/48/1072975048.db2.gz BAUMRXWETNRDTB-VQIMIIECSA-N 1 0 396.488 -0.586 20 0 GBADRO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000892607882 1072975084 /nfs/dbraw/zinc/97/50/84/1072975084.db2.gz BWNMGGLTVDUDGP-IBGZPJMESA-N 1 0 376.457 -0.173 20 0 GBADRO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000892607885 1072975143 /nfs/dbraw/zinc/97/51/43/1072975143.db2.gz BWNMGGLTVDUDGP-LJQANCHMSA-N 1 0 376.457 -0.173 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)C[C@H]1C(F)(F)F ZINC000892608661 1072975993 /nfs/dbraw/zinc/97/59/93/1072975993.db2.gz HHFPJZLAOOHPIZ-GYSYKLTISA-N 1 0 380.367 -0.607 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)C[C@H]1C(F)(F)F ZINC000892608666 1072976019 /nfs/dbraw/zinc/97/60/19/1072976019.db2.gz HHFPJZLAOOHPIZ-JTNHKYCSSA-N 1 0 380.367 -0.607 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)C[C@@H]1C(F)(F)F ZINC000892608671 1072975966 /nfs/dbraw/zinc/97/59/66/1072975966.db2.gz HHFPJZLAOOHPIZ-SUNKGSAMSA-N 1 0 380.367 -0.607 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)C[C@@H]1C(F)(F)F ZINC000892608676 1072975426 /nfs/dbraw/zinc/97/54/26/1072975426.db2.gz HHFPJZLAOOHPIZ-UHIISALHSA-N 1 0 380.367 -0.607 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC[C@H]1C(F)(F)F ZINC000892609756 1072976078 /nfs/dbraw/zinc/97/60/78/1072976078.db2.gz WAJFWFKMGLGYID-JMSVASOKSA-N 1 0 394.394 -0.217 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC[C@H]1C(F)(F)F ZINC000892609757 1072975974 /nfs/dbraw/zinc/97/59/74/1072975974.db2.gz WAJFWFKMGLGYID-LALPHHSUSA-N 1 0 394.394 -0.217 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC[C@@H]1C(F)(F)F ZINC000892609758 1072976059 /nfs/dbraw/zinc/97/60/59/1072976059.db2.gz WAJFWFKMGLGYID-TYNCELHUSA-N 1 0 394.394 -0.217 20 0 GBADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC[C@@H]1C(F)(F)F ZINC000892609759 1072976155 /nfs/dbraw/zinc/97/61/55/1072976155.db2.gz WAJFWFKMGLGYID-XUJVJEKNSA-N 1 0 394.394 -0.217 20 0 GBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000892620217 1072980981 /nfs/dbraw/zinc/98/09/81/1072980981.db2.gz GTFCXFWRRFUWAU-INIZCTEOSA-N 1 0 395.529 -0.174 20 0 GBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000892620221 1072980417 /nfs/dbraw/zinc/98/04/17/1072980417.db2.gz GTFCXFWRRFUWAU-MRXNPFEDSA-N 1 0 395.529 -0.174 20 0 GBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000892620353 1072981029 /nfs/dbraw/zinc/98/10/29/1072981029.db2.gz KPZXGKOTRMJJRJ-INIZCTEOSA-N 1 0 395.529 -0.174 20 0 GBADRO CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000892620354 1072980961 /nfs/dbraw/zinc/98/09/61/1072980961.db2.gz KPZXGKOTRMJJRJ-MRXNPFEDSA-N 1 0 395.529 -0.174 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000892650762 1072996689 /nfs/dbraw/zinc/99/66/89/1072996689.db2.gz QKWCWFHBPZZSPP-QLFBSQMISA-N 1 0 386.518 -0.385 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000892650766 1072996717 /nfs/dbraw/zinc/99/67/17/1072996717.db2.gz QKWCWFHBPZZSPP-ZNMIVQPWSA-N 1 0 386.518 -0.385 20 0 GBADRO C[N@H+]1C[C@H]2CN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]2C1 ZINC000892668736 1073010009 /nfs/dbraw/zinc/01/00/09/1073010009.db2.gz LXCQMVCZFXUMKN-IYBDPMFKSA-N 1 0 387.488 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CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021495 1073205869 /nfs/dbraw/zinc/20/58/69/1073205869.db2.gz GIXQSFDGDJXZOY-HNNXBMFYSA-N 1 0 387.550 -0.120 20 0 GBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCCC3)C2)CC1 ZINC000893021496 1073205985 /nfs/dbraw/zinc/20/59/85/1073205985.db2.gz GIXQSFDGDJXZOY-OAHLLOKOSA-N 1 0 387.550 -0.120 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000893023825 1073205818 /nfs/dbraw/zinc/20/58/18/1073205818.db2.gz QZORRRUGLIKYIC-BFYDXBDKSA-N 1 0 397.520 -0.097 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000893023827 1073205891 /nfs/dbraw/zinc/20/58/91/1073205891.db2.gz QZORRRUGLIKYIC-HLLBOEOZSA-N 1 0 397.520 -0.097 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H](CO)C1 ZINC000893023829 1073205954 /nfs/dbraw/zinc/20/59/54/1073205954.db2.gz QZORRRUGLIKYIC-INMHGKMJSA-N 1 0 397.520 -0.097 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H](CO)C1 ZINC000893023831 1073205971 /nfs/dbraw/zinc/20/59/71/1073205971.db2.gz QZORRRUGLIKYIC-VYDXJSESSA-N 1 0 397.520 -0.097 20 0 GBADRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025179 1073206186 /nfs/dbraw/zinc/20/61/86/1073206186.db2.gz YLDMRZROARPWHP-ILXRZTDVSA-N 1 0 387.550 -0.279 20 0 GBADRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1CS(N)(=O)=O ZINC000893025181 1073206075 /nfs/dbraw/zinc/20/60/75/1073206075.db2.gz YLDMRZROARPWHP-QLFBSQMISA-N 1 0 387.550 -0.279 20 0 GBADRO CN1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC[N@H+](C)CC1 ZINC000893028061 1073206024 /nfs/dbraw/zinc/20/60/24/1073206024.db2.gz FSUWBXJHMQLRIN-UHFFFAOYSA-N 1 0 387.481 -0.138 20 0 GBADRO CC(C)N1CC[NH+](C2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000893028604 1073206670 /nfs/dbraw/zinc/20/66/70/1073206670.db2.gz HVKUXKGTTJUANT-UHFFFAOYSA-N 1 0 389.504 -0.045 20 0 GBADRO C[C@@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893049316 1073209759 /nfs/dbraw/zinc/20/97/59/1073209759.db2.gz ZWDPBXSOBMTDTF-CHWSQXEVSA-N 1 0 375.477 -0.578 20 0 GBADRO C[C@@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893049317 1073209609 /nfs/dbraw/zinc/20/96/09/1073209609.db2.gz ZWDPBXSOBMTDTF-OLZOCXBDSA-N 1 0 375.477 -0.578 20 0 GBADRO C[C@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893049318 1073209742 /nfs/dbraw/zinc/20/97/42/1073209742.db2.gz ZWDPBXSOBMTDTF-QWHCGFSZSA-N 1 0 375.477 -0.578 20 0 GBADRO C[C@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893049319 1073209503 /nfs/dbraw/zinc/20/95/03/1073209503.db2.gz ZWDPBXSOBMTDTF-STQMWFEESA-N 1 0 375.477 -0.578 20 0 GBADRO CC(=O)c1cn(C2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000893052149 1073211237 /nfs/dbraw/zinc/21/12/37/1073211237.db2.gz BWSPYGUIVQCYGQ-HNNXBMFYSA-N 1 0 391.476 -0.547 20 0 GBADRO CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)nn1 ZINC000893052150 1073211370 /nfs/dbraw/zinc/21/13/70/1073211370.db2.gz BWSPYGUIVQCYGQ-OAHLLOKOSA-N 1 0 391.476 -0.547 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000893052173 1073211292 /nfs/dbraw/zinc/21/12/92/1073211292.db2.gz CNQGQPLLINQFKY-JTDSTZFVSA-N 1 0 379.505 -0.107 20 0 GBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000893052174 1073211188 /nfs/dbraw/zinc/21/11/88/1073211188.db2.gz CNQGQPLLINQFKY-TXPKVOOTSA-N 1 0 379.505 -0.107 20 0 GBADRO Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052514 1073211449 /nfs/dbraw/zinc/21/14/49/1073211449.db2.gz GBDGLWVRDHVZMU-AEFFLSMTSA-N 1 0 392.504 -0.091 20 0 GBADRO Cn1nccc1[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052515 1073211210 /nfs/dbraw/zinc/21/12/10/1073211210.db2.gz GBDGLWVRDHVZMU-FUHWJXTLSA-N 1 0 392.504 -0.091 20 0 GBADRO Cn1nccc1[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052516 1073211558 /nfs/dbraw/zinc/21/15/58/1073211558.db2.gz GBDGLWVRDHVZMU-SJLPKXTDSA-N 1 0 392.504 -0.091 20 0 GBADRO Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000893052517 1073211335 /nfs/dbraw/zinc/21/13/35/1073211335.db2.gz GBDGLWVRDHVZMU-WMZOPIPTSA-N 1 0 392.504 -0.091 20 0 GBADRO Cn1[nH]c(=O)c2c1CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000893053272 1073211546 /nfs/dbraw/zinc/21/15/46/1073211546.db2.gz LBZAUENFQGSDBL-AWEZNQCLSA-N 1 0 378.477 -0.400 20 0 GBADRO Cn1[nH]c(=O)c2c1CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000893053273 1073211020 /nfs/dbraw/zinc/21/10/20/1073211020.db2.gz LBZAUENFQGSDBL-CQSZACIVSA-N 1 0 378.477 -0.400 20 0 GBADRO NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000893054759 1073210453 /nfs/dbraw/zinc/21/04/53/1073210453.db2.gz ZMHCQYBJFCUWNO-BXWFABGCSA-N 1 0 379.505 -0.310 20 0 GBADRO NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC000893054760 1073210342 /nfs/dbraw/zinc/21/03/42/1073210342.db2.gz ZMHCQYBJFCUWNO-FCEWJHQRSA-N 1 0 379.505 -0.310 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893100744 1073220689 /nfs/dbraw/zinc/22/06/89/1073220689.db2.gz VRHXDFVTZKIMTA-DLBZAZTESA-N 1 0 395.504 -0.692 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893100745 1073220444 /nfs/dbraw/zinc/22/04/44/1073220444.db2.gz VRHXDFVTZKIMTA-IAGOWNOFSA-N 1 0 395.504 -0.692 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893100746 1073220720 /nfs/dbraw/zinc/22/07/20/1073220720.db2.gz VRHXDFVTZKIMTA-IRXDYDNUSA-N 1 0 395.504 -0.692 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893100747 1073220365 /nfs/dbraw/zinc/22/03/65/1073220365.db2.gz VRHXDFVTZKIMTA-SJORKVTESA-N 1 0 395.504 -0.692 20 0 GBADRO CN1CC[NH+](CC2(C)CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)CC1 ZINC000893155687 1073233970 /nfs/dbraw/zinc/23/39/70/1073233970.db2.gz KVPZWJDRWCRXSU-UHFFFAOYSA-N 1 0 389.504 -0.186 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)cn1 ZINC000893166621 1073242885 /nfs/dbraw/zinc/24/28/85/1073242885.db2.gz BVWBXJMCKARUQO-BBRMVZONSA-N 1 0 396.517 -0.081 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)cn1 ZINC000893166622 1073242931 /nfs/dbraw/zinc/24/29/31/1073242931.db2.gz BVWBXJMCKARUQO-CJNGLKHVSA-N 1 0 396.517 -0.081 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)cn1 ZINC000893166623 1073242702 /nfs/dbraw/zinc/24/27/02/1073242702.db2.gz BVWBXJMCKARUQO-CZUORRHYSA-N 1 0 396.517 -0.081 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)cn1 ZINC000893166624 1073243053 /nfs/dbraw/zinc/24/30/53/1073243053.db2.gz BVWBXJMCKARUQO-XJKSGUPXSA-N 1 0 396.517 -0.081 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)cn1 ZINC000893167009 1073242985 /nfs/dbraw/zinc/24/29/85/1073242985.db2.gz FHANBGNEYCTGCK-OKILXGFUSA-N 1 0 396.517 -0.224 20 0 GBADRO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)C[NH+]1CCN(C)CC1 ZINC000893236223 637376028 /nfs/dbraw/zinc/37/60/28/637376028.db2.gz FVSIWKFKNJBEQM-HNNXBMFYSA-N 1 0 375.539 -0.405 20 0 GBADRO C[C@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)C[NH+]1CCN(C)CC1 ZINC000893236224 637376067 /nfs/dbraw/zinc/37/60/67/637376067.db2.gz FVSIWKFKNJBEQM-OAHLLOKOSA-N 1 0 375.539 -0.405 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000893237516 1073266606 /nfs/dbraw/zinc/26/66/06/1073266606.db2.gz NJBBBXGJQREZMT-ARFHVFGLSA-N 1 0 385.509 -0.382 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000893237518 1073266622 /nfs/dbraw/zinc/26/66/22/1073266622.db2.gz NJBBBXGJQREZMT-BZUAXINKSA-N 1 0 385.509 -0.382 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](CO)C1 ZINC000893237520 1073266757 /nfs/dbraw/zinc/26/67/57/1073266757.db2.gz NJBBBXGJQREZMT-OAGGEKHMSA-N 1 0 385.509 -0.382 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](CO)C1 ZINC000893237522 1073266819 /nfs/dbraw/zinc/26/68/19/1073266819.db2.gz NJBBBXGJQREZMT-XHSDSOJGSA-N 1 0 385.509 -0.382 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000893238034 1073266404 /nfs/dbraw/zinc/26/64/04/1073266404.db2.gz KIWYCWOOBQPNNW-CVEARBPZSA-N 1 0 390.550 -0.285 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000893238035 1073266660 /nfs/dbraw/zinc/26/66/60/1073266660.db2.gz KIWYCWOOBQPNNW-HOTGVXAUSA-N 1 0 390.550 -0.285 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000893238036 1073266778 /nfs/dbraw/zinc/26/67/78/1073266778.db2.gz KIWYCWOOBQPNNW-HZPDHXFCSA-N 1 0 390.550 -0.285 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000893238037 1073267418 /nfs/dbraw/zinc/26/74/18/1073267418.db2.gz KIWYCWOOBQPNNW-JKSUJKDBSA-N 1 0 390.550 -0.285 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893238461 1073266571 /nfs/dbraw/zinc/26/65/71/1073266571.db2.gz LVCLNZMBGZUDFU-INIZCTEOSA-N 1 0 389.566 -0.015 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893238463 1073266697 /nfs/dbraw/zinc/26/66/97/1073266697.db2.gz LVCLNZMBGZUDFU-MRXNPFEDSA-N 1 0 389.566 -0.015 20 0 GBADRO C[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC000893239092 637375820 /nfs/dbraw/zinc/37/58/20/637375820.db2.gz YCOGYQBGVYIECF-KFWWJZLASA-N 1 0 375.539 -0.564 20 0 GBADRO C[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC000893239095 637375864 /nfs/dbraw/zinc/37/58/64/637375864.db2.gz YCOGYQBGVYIECF-ZNMIVQPWSA-N 1 0 375.539 -0.564 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000893239734 1073267344 /nfs/dbraw/zinc/26/73/44/1073267344.db2.gz VKRQGORJQLWKIT-OAGGEKHMSA-N 1 0 389.566 -0.174 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000893239735 1073267381 /nfs/dbraw/zinc/26/73/81/1073267381.db2.gz VKRQGORJQLWKIT-XHSDSOJGSA-N 1 0 389.566 -0.174 20 0 GBADRO CN1CCC(CNC(=O)N2CC3(C2)NC(=O)NC3=O)([NH+]2CCCCC2)CC1 ZINC000893267973 1073286559 /nfs/dbraw/zinc/28/65/59/1073286559.db2.gz PVRZAVOGZRUVBA-UHFFFAOYSA-N 1 0 378.477 -0.460 20 0 GBADRO Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(C)CC[N@H+](C)CC3)C2=O)n1 ZINC000893277339 1073289706 /nfs/dbraw/zinc/28/97/06/1073289706.db2.gz YNSROUPPRHXDNS-HNNXBMFYSA-N 1 0 377.493 -0.196 20 0 GBADRO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(C)CC[N@H+](C)CC3)C2=O)n1 ZINC000893277340 1073289164 /nfs/dbraw/zinc/28/91/64/1073289164.db2.gz YNSROUPPRHXDNS-OAHLLOKOSA-N 1 0 377.493 -0.196 20 0 GBADRO 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/nfs/dbraw/zinc/81/98/19/1073819819.db2.gz PEMGWIXSEPIYMI-UHFFFAOYSA-N 1 0 376.461 -0.043 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893866264 637382072 /nfs/dbraw/zinc/38/20/72/637382072.db2.gz JMEBJJNEKORFBW-UHFFFAOYSA-N 1 0 375.539 -0.263 20 0 GBADRO C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1CS(N)(=O)=O ZINC000893866816 637382042 /nfs/dbraw/zinc/38/20/42/637382042.db2.gz MTAPVWOJTLZXAK-KGLIPLIRSA-N 1 0 375.539 -0.422 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000893868476 1073819746 /nfs/dbraw/zinc/81/97/46/1073819746.db2.gz YVSFTEBTWFCTSO-GDBMZVCRSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000893868477 1073819431 /nfs/dbraw/zinc/81/94/31/1073819431.db2.gz YVSFTEBTWFCTSO-GOEBONIOSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000893868478 1073819804 /nfs/dbraw/zinc/81/98/04/1073819804.db2.gz YVSFTEBTWFCTSO-HOCLYGCPSA-N 1 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C[C@@H]1C[N@H+](CCCNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCO1 ZINC000894448214 637390032 /nfs/dbraw/zinc/39/00/32/637390032.db2.gz MLNCYJZCKHCMLA-HUUCEWRRSA-N 1 0 377.507 -0.058 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCO1 ZINC000894448215 637389782 /nfs/dbraw/zinc/38/97/82/637389782.db2.gz MLNCYJZCKHCMLA-LSDHHAIUSA-N 1 0 377.507 -0.058 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](CO)C1 ZINC000894599317 1073026379 /nfs/dbraw/zinc/02/63/79/1073026379.db2.gz JTMRESGKRVHUJK-CABCVRRESA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000894599318 1073026121 /nfs/dbraw/zinc/02/61/21/1073026121.db2.gz JTMRESGKRVHUJK-GJZGRUSLSA-N 1 0 385.509 -0.239 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000894599319 1073025983 /nfs/dbraw/zinc/02/59/83/1073025983.db2.gz JTMRESGKRVHUJK-HUUCEWRRSA-N 1 0 385.509 -0.239 20 0 GBADRO 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SGTLZTVIOFBXEQ-LPEHRKFASA-N 1 0 385.408 -0.466 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1C(F)(F)F ZINC000911546232 637469251 /nfs/dbraw/zinc/46/92/51/637469251.db2.gz PEYORJMXVVWNKE-VPJKUYQRSA-N 1 0 383.392 -0.571 20 0 GBADRO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H]1C(F)(F)F ZINC000911551658 637469017 /nfs/dbraw/zinc/46/90/17/637469017.db2.gz PEYORJMXVVWNKE-KAMPLNKDSA-N 1 0 383.392 -0.571 20 0 GBADRO Cn1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c(I)n1 ZINC000911702751 637469082 /nfs/dbraw/zinc/46/90/82/637469082.db2.gz PYPKHOCTGLHOJP-UHFFFAOYSA-N 1 0 377.186 -0.814 20 0 GBADRO C[NH+]1CCC(N(CCO)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000911935712 637469802 /nfs/dbraw/zinc/46/98/02/637469802.db2.gz KLIFJEKAASMQQB-UHFFFAOYSA-N 1 0 389.250 -0.374 20 0 GBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000912007113 637469852 /nfs/dbraw/zinc/46/98/52/637469852.db2.gz ZJUYSJXKLLJGIR-GFCCVEGCSA-N 1 0 381.445 -0.227 20 0 GBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000912007114 637469872 /nfs/dbraw/zinc/46/98/72/637469872.db2.gz ZJUYSJXKLLJGIR-LBPRGKRZSA-N 1 0 381.445 -0.227 20 0 GBADRO Cn1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(I)n1 ZINC000912055155 637469755 /nfs/dbraw/zinc/46/97/55/637469755.db2.gz ZCMMLGZMEUUULD-DTWKUNHWSA-N 1 0 376.198 -0.084 20 0 GBADRO [NH3+]CCCSCCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912473035 637470410 /nfs/dbraw/zinc/47/04/10/637470410.db2.gz ANNNVMKGDYGNJO-UHFFFAOYSA-N 1 0 380.536 -0.820 20 0 GBADRO CSCC[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912475976 637470826 /nfs/dbraw/zinc/47/08/26/637470826.db2.gz VXGGOUFRTJRFAE-ZDUSSCGKSA-N 1 0 380.536 -0.822 20 0 GBADRO CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912476233 637470813 /nfs/dbraw/zinc/47/08/13/637470813.db2.gz YLRRQDMJAUDVEK-INIZCTEOSA-N 1 0 376.523 -0.281 20 0 GBADRO CC(C)C[C@](C)(C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000912476234 637470835 /nfs/dbraw/zinc/47/08/35/637470835.db2.gz YLRRQDMJAUDVEK-MRXNPFEDSA-N 1 0 376.523 -0.281 20 0 GBADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000912608704 637473370 /nfs/dbraw/zinc/47/33/70/637473370.db2.gz MBAPNFWNRXCNLF-UHFFFAOYSA-N 1 0 390.531 -0.252 20 0 GBADRO CN(CC[N@H+](C)CCO)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000912610480 637473145 /nfs/dbraw/zinc/47/31/45/637473145.db2.gz FVMARWRZWAXJHY-UHFFFAOYSA-N 1 0 391.515 -0.235 20 0 GBADRO CC(C)[NH+]1CCN(CCCC(=O)NC2CCN(S(N)(=O)=O)CC2)CC1 ZINC000912756325 637473782 /nfs/dbraw/zinc/47/37/82/637473782.db2.gz IQTJEPRPVAHZPH-UHFFFAOYSA-N 1 0 375.539 -0.423 20 0 GBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCN1CCC2(C1)OCCO2 ZINC000912896641 637473992 /nfs/dbraw/zinc/47/39/92/637473992.db2.gz JIOHDRGVOXTZBG-CYBMUJFWSA-N 1 0 395.547 -0.388 20 0 GBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCN1CCC2(C1)OCCO2 ZINC000912896642 637474029 /nfs/dbraw/zinc/47/40/29/637474029.db2.gz JIOHDRGVOXTZBG-ZDUSSCGKSA-N 1 0 395.547 -0.388 20 0 GBADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCN1CCC2(C1)OCCO2 ZINC000912896717 637473908 /nfs/dbraw/zinc/47/39/08/637473908.db2.gz DUZLLJYWTGAVRJ-CQSZACIVSA-N 1 0 375.491 -0.342 20 0 GBADRO O=C(Cn1nc(Br)c(Br)n1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170908 637475181 /nfs/dbraw/zinc/47/51/81/637475181.db2.gz BYKFRLNEMJQBCP-SSDOTTSWSA-N 1 0 397.071 -0.014 20 0 GBADRO CC(C)[NH+]1CCN(CCCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000913335249 637477596 /nfs/dbraw/zinc/47/75/96/637477596.db2.gz PDLWAOFLCHJGER-UHFFFAOYSA-N 1 0 375.539 -0.601 20 0 GBADRO CC(C)[NH+]1CCN(CCC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000913335259 637477742 /nfs/dbraw/zinc/47/77/42/637477742.db2.gz PIQMDSFJDIDRFE-HNNXBMFYSA-N 1 0 376.523 -0.821 20 0 GBADRO CC(C)[NH+]1CCN(CCC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC000913335260 637477825 /nfs/dbraw/zinc/47/78/25/637477825.db2.gz PIQMDSFJDIDRFE-OAHLLOKOSA-N 1 0 376.523 -0.821 20 0 GBADRO O=C(Cn1nc(Br)c(Br)n1)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351297 637477842 /nfs/dbraw/zinc/47/78/42/637477842.db2.gz BYKFRLNEMJQBCP-ZETCQYMHSA-N 1 0 397.071 -0.014 20 0 GBADRO Cn1nc(Br)c2c1ncn(CC(=O)NC13CC[NH+](CC1)C3)c2=O ZINC000913628820 637502697 /nfs/dbraw/zinc/50/26/97/637502697.db2.gz PMMAQZHTWJXEBE-UHFFFAOYSA-N 1 0 381.234 -0.143 20 0 GBADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680054 637502658 /nfs/dbraw/zinc/50/26/58/637502658.db2.gz BIFVWQUJTVNUHE-CYBMUJFWSA-N 1 0 381.564 -0.038 20 0 GBADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680055 637502747 /nfs/dbraw/zinc/50/27/47/637502747.db2.gz BIFVWQUJTVNUHE-ZDUSSCGKSA-N 1 0 381.564 -0.038 20 0 GBADRO C[NH+](C)CC1(O)CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000913682548 637502684 /nfs/dbraw/zinc/50/26/84/637502684.db2.gz MBOFIGCWRDXPIC-UHFFFAOYSA-N 1 0 389.250 -0.374 20 0 GBADRO CO[C@H]1C[C@H](C(=O)N2CC[NH+](CCCCCO)CC2)N(S(C)(=O)=O)C1 ZINC000913693607 637502691 /nfs/dbraw/zinc/50/26/91/637502691.db2.gz ITADAYYVTLMHNI-LSDHHAIUSA-N 1 0 377.507 -0.658 20 0 GBADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000913862409 637503289 /nfs/dbraw/zinc/50/32/89/637503289.db2.gz LKZWCOZYXNIWCG-CVEARBPZSA-N 1 0 391.559 -0.393 20 0 GBADRO CO[C@@]1(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)C1 ZINC000913920294 637504812 /nfs/dbraw/zinc/50/48/12/637504812.db2.gz LMPABJFJEJVNKF-GDBMZVCRSA-N 1 0 377.507 -0.154 20 0 GBADRO CO[C@@]1(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)C1 ZINC000913920295 637504919 /nfs/dbraw/zinc/50/49/19/637504919.db2.gz LMPABJFJEJVNKF-GOEBONIOSA-N 1 0 377.507 -0.154 20 0 GBADRO CO[C@]1(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)C1 ZINC000913920296 637504840 /nfs/dbraw/zinc/50/48/40/637504840.db2.gz LMPABJFJEJVNKF-HOCLYGCPSA-N 1 0 377.507 -0.154 20 0 GBADRO CO[C@]1(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCS(=O)(=O)C1 ZINC000913920297 637504664 /nfs/dbraw/zinc/50/46/64/637504664.db2.gz LMPABJFJEJVNKF-ZBFHGGJFSA-N 1 0 377.507 -0.154 20 0 GBADRO COC(=O)C1CCC(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000913928707 637504780 /nfs/dbraw/zinc/50/47/80/637504780.db2.gz WFXCYGGGSWGRQT-UHFFFAOYSA-N 1 0 375.491 -0.246 20 0 GBADRO Cc1nn(CCS(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(=O)o1 ZINC000913942209 637504801 /nfs/dbraw/zinc/50/48/01/637504801.db2.gz DIXMTCAJDWLFPP-UHFFFAOYSA-N 1 0 375.495 -0.568 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000913988808 637504899 /nfs/dbraw/zinc/50/48/99/637504899.db2.gz OLJKGWKUCRKXDZ-HZSPNIEDSA-N 1 0 375.495 -0.971 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C[C@@H](C)O1 ZINC000913988809 637505226 /nfs/dbraw/zinc/50/52/26/637505226.db2.gz OLJKGWKUCRKXDZ-MCIONIFRSA-N 1 0 375.495 -0.971 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C[C@@H](C)O1 ZINC000913988810 637505273 /nfs/dbraw/zinc/50/52/73/637505273.db2.gz OLJKGWKUCRKXDZ-MGPQQGTHSA-N 1 0 375.495 -0.971 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000913988811 637505556 /nfs/dbraw/zinc/50/55/56/637505556.db2.gz OLJKGWKUCRKXDZ-MJBXVCDLSA-N 1 0 375.495 -0.971 20 0 GBADRO CO[C@]1(CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000913989270 637505454 /nfs/dbraw/zinc/50/54/54/637505454.db2.gz YUDYGKFWQNGBHQ-DZKIICNBSA-N 1 0 377.507 -0.011 20 0 GBADRO CO[C@]1(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCS(=O)(=O)C1 ZINC000913989271 637505678 /nfs/dbraw/zinc/50/56/78/637505678.db2.gz YUDYGKFWQNGBHQ-FMKPAKJESA-N 1 0 377.507 -0.011 20 0 GBADRO CO[C@@]1(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000913989272 637505500 /nfs/dbraw/zinc/50/55/00/637505500.db2.gz YUDYGKFWQNGBHQ-IJEWVQPXSA-N 1 0 377.507 -0.011 20 0 GBADRO CO[C@]1(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000913989273 637505374 /nfs/dbraw/zinc/50/53/74/637505374.db2.gz YUDYGKFWQNGBHQ-LZWOXQAQSA-N 1 0 377.507 -0.011 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000913997970 637505585 /nfs/dbraw/zinc/50/55/85/637505585.db2.gz CSNCFJCCFGQPON-CABCVRRESA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000913997971 637505293 /nfs/dbraw/zinc/50/52/93/637505293.db2.gz CSNCFJCCFGQPON-GJZGRUSLSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000913997972 637505428 /nfs/dbraw/zinc/50/54/28/637505428.db2.gz CSNCFJCCFGQPON-HUUCEWRRSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)[NH+]1CCN(C)CC1 ZINC000913997973 637505711 /nfs/dbraw/zinc/50/57/11/637505711.db2.gz CSNCFJCCFGQPON-LSDHHAIUSA-N 1 0 375.539 -0.279 20 0 GBADRO CC(C)[C@H](CNC(=O)NC(C)(C)CNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000913998075 637505535 /nfs/dbraw/zinc/50/55/35/637505535.db2.gz FXYWZPUPVCGPIH-AWEZNQCLSA-N 1 0 377.555 -0.115 20 0 GBADRO CC(C)[C@@H](CNC(=O)NC(C)(C)CNS(C)(=O)=O)[NH+]1CCN(C)CC1 ZINC000913998076 637505659 /nfs/dbraw/zinc/50/56/59/637505659.db2.gz FXYWZPUPVCGPIH-CQSZACIVSA-N 1 0 377.555 -0.115 20 0 GBADRO 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BVMRLLGIBNTYDP-TUVASFSCSA-N 1 0 380.489 -0.679 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2O)C1 ZINC000970655990 1072359685 /nfs/dbraw/zinc/35/96/85/1072359685.db2.gz KICREBSYPQOZSN-FTBKSCEHSA-N 1 0 377.485 -0.170 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2O)C1 ZINC000970656250 1072360503 /nfs/dbraw/zinc/36/05/03/1072360503.db2.gz OIHBOGJICHKEMY-RNGZQALNSA-N 1 0 395.500 -0.542 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1O ZINC000970656684 1072360360 /nfs/dbraw/zinc/36/03/60/1072360360.db2.gz VWRITCNQEQYSPK-DMEJVMROSA-N 1 0 389.456 -0.827 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000970656870 1072360561 /nfs/dbraw/zinc/36/05/61/1072360561.db2.gz YGFKETPBHJUTKK-JJXSEGSLSA-N 1 0 385.424 -0.640 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970656948 1072360435 /nfs/dbraw/zinc/36/04/35/1072360435.db2.gz LHVPIAHTAILBHM-BARDWOONSA-N 1 0 380.489 -0.870 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970657333 1072361516 /nfs/dbraw/zinc/36/15/16/1072361516.db2.gz QOOGUARNRQNROG-ANQUJSFKSA-N 1 0 389.500 -0.057 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)cn1 ZINC000970657361 1072361448 /nfs/dbraw/zinc/36/14/48/1072361448.db2.gz SAINGBIMPMQPGL-HZMVEIRTSA-N 1 0 389.500 -0.057 20 0 GBADRO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)o1 ZINC000970657528 1072361154 /nfs/dbraw/zinc/36/11/54/1072361154.db2.gz VBTDGVHGYMQZAS-BARDWOONSA-N 1 0 392.456 -0.456 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)C1 ZINC000970657563 1072361354 /nfs/dbraw/zinc/36/13/54/1072361354.db2.gz WYJQUWRGPNHKEN-BARDWOONSA-N 1 0 380.489 -0.692 20 0 GBADRO C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970664584 1072365861 /nfs/dbraw/zinc/36/58/61/1072365861.db2.gz SSFSHDIRDUPLEL-XQHKEYJVSA-N 1 0 380.470 -0.767 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC000970664840 1072368190 /nfs/dbraw/zinc/36/81/90/1072368190.db2.gz IRDCWCCZMWXYNU-YJNKXOJESA-N 1 0 380.489 -0.727 20 0 GBADRO C[NH+](C)CCc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970664967 1072367605 /nfs/dbraw/zinc/36/76/05/1072367605.db2.gz KXPDGDNZQNNDBQ-TWMKSMIVSA-N 1 0 388.468 -0.786 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1O ZINC000970665522 1072369665 /nfs/dbraw/zinc/36/96/65/1072369665.db2.gz UKSMNACJPOXOQZ-JJXSEGSLSA-N 1 0 392.500 -0.725 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2O)C1 ZINC000970668060 1072371244 /nfs/dbraw/zinc/37/12/44/1072371244.db2.gz DEFQRXNYJQLYPV-KOZAUXTDSA-N 1 0 385.424 -0.463 20 0 GBADRO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970669151 1072373500 /nfs/dbraw/zinc/37/35/00/1072373500.db2.gz ROVPBVMEPVBGGS-BARDWOONSA-N 1 0 380.489 -0.551 20 0 GBADRO C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC000970669211 1072374439 /nfs/dbraw/zinc/37/44/39/1072374439.db2.gz UMNFBHAGAQSGRS-TWMKSMIVSA-N 1 0 388.468 -0.786 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)C1 ZINC000970669373 1072374635 /nfs/dbraw/zinc/37/46/35/1072374635.db2.gz SPIVXJIEAHVIHO-QXSJWSMHSA-N 1 0 380.489 -0.548 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2O)C1 ZINC000970669377 1072374290 /nfs/dbraw/zinc/37/42/90/1072374290.db2.gz SSVBPYJMZBRWJC-QXSJWSMHSA-N 1 0 392.500 -0.548 20 0 GBADRO CC(C)(C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1)[NH+]1CCCC1 ZINC000970669415 1072374454 /nfs/dbraw/zinc/37/44/54/1072374454.db2.gz UGLYECWQXKEYBT-BARDWOONSA-N 1 0 380.489 -0.550 20 0 GBADRO C[NH+]1CCC(CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)CC1 ZINC000970671850 1072375123 /nfs/dbraw/zinc/37/51/23/1072375123.db2.gz VIANXNOXJVBAJP-QXSJWSMHSA-N 1 0 380.489 -0.692 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000970673080 1072378289 /nfs/dbraw/zinc/37/82/89/1072378289.db2.gz KAVQMGLUXRHHNB-YJNKXOJESA-N 1 0 380.489 -0.870 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000970673726 1072379194 /nfs/dbraw/zinc/37/91/94/1072379194.db2.gz VUAMKPXGQQXFGF-JJXSEGSLSA-N 1 0 380.489 -0.870 20 0 GBADRO C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970674056 1072379317 /nfs/dbraw/zinc/37/93/17/1072379317.db2.gz GYSUCPANCFDSQG-OSRDXIQISA-N 1 0 392.456 -0.456 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2O)C1 ZINC000970674651 1072376707 /nfs/dbraw/zinc/37/67/07/1072376707.db2.gz VCYDFDGLGWHMHO-KOZAUXTDSA-N 1 0 385.424 -0.463 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)C1 ZINC000970674724 1072377070 /nfs/dbraw/zinc/37/70/70/1072377070.db2.gz WMKMPYNPQMAFSQ-BARDWOONSA-N 1 0 378.473 -0.796 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)CC1 ZINC000970674750 1072376565 /nfs/dbraw/zinc/37/65/65/1072376565.db2.gz XWBPCOVGXDRFPY-QXSJWSMHSA-N 1 0 380.489 -0.692 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)Cn3nnc4c3CCCC4)[C@@H](O)C2)CC[N@@H+]1C ZINC000970677240 1072379838 /nfs/dbraw/zinc/37/98/38/1072379838.db2.gz SFUOANFITOTCBD-SMKXDYDZSA-N 1 0 390.488 -0.815 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970677432 1072379609 /nfs/dbraw/zinc/37/96/09/1072379609.db2.gz ZLHVDXGZZJBCTA-QOWREQOWSA-N 1 0 377.445 -0.855 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000970689561 1072381882 /nfs/dbraw/zinc/38/18/82/1072381882.db2.gz VJAHKOLYUYEONR-ANQUJSFKSA-N 1 0 375.473 -0.447 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1O ZINC000970692745 1072383051 /nfs/dbraw/zinc/38/30/51/1072383051.db2.gz IJNHXOSOGGTQCW-VZEFYGNVSA-N 1 0 385.424 -0.006 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(=O)cc3OC)[C@@H](O)C2)CC[N@@H+]1C ZINC000970693713 1072383989 /nfs/dbraw/zinc/38/39/89/1072383989.db2.gz BEUCVPPRMXGSPF-MYPMTAMASA-N 1 0 392.456 -0.172 20 0 GBADRO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC000970694600 1072384331 /nfs/dbraw/zinc/38/43/31/1072384331.db2.gz SIUSOMIYAXFUCF-OXHZDVMGSA-N 1 0 378.429 -0.563 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC000970695811 1072385408 /nfs/dbraw/zinc/38/54/08/1072385408.db2.gz DWFPGBGUTCPZLL-ANQUJSFKSA-N 1 0 387.484 -0.160 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1O ZINC000970696033 1072385843 /nfs/dbraw/zinc/38/58/43/1072385843.db2.gz JRKJQSSMNHTCLG-WCVJEAGWSA-N 1 0 383.489 -0.542 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC000970696832 1072385574 /nfs/dbraw/zinc/38/55/74/1072385574.db2.gz WHWFCRKLUDIOHP-ANQUJSFKSA-N 1 0 389.500 -0.057 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC000970698071 1072384522 /nfs/dbraw/zinc/38/45/22/1072384522.db2.gz HQPYMYDLODHNLU-ANQUJSFKSA-N 1 0 375.473 -0.304 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1O ZINC000970699831 1072386317 /nfs/dbraw/zinc/38/63/17/1072386317.db2.gz DUDUQBIKYSWTSQ-OJLVUWQFSA-N 1 0 379.461 -0.829 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1O ZINC000970700842 1072387321 /nfs/dbraw/zinc/38/73/21/1072387321.db2.gz XCOHBCZZYXKHGV-OJLVUWQFSA-N 1 0 379.461 -0.829 20 0 GBADRO CCn1cc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H](O)C2)nn1 ZINC000970703770 1072387259 /nfs/dbraw/zinc/38/72/59/1072387259.db2.gz AKRLMCACUJTQNA-KQTLUZQSSA-N 1 0 387.444 -0.934 20 0 GBADRO CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H](O)C2)n(C)n1 ZINC000970703779 1072387299 /nfs/dbraw/zinc/38/72/99/1072387299.db2.gz AWWUJQDDFRZWRN-WBOJAVRRSA-N 1 0 386.456 -0.179 20 0 GBADRO Cc1cc(=O)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H](O)C2)c[nH]1 ZINC000970703799 1072387154 /nfs/dbraw/zinc/38/71/54/1072387154.db2.gz BPTVZVOCZQFNMK-LGIULTMTSA-N 1 0 385.424 -0.478 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1O ZINC000970703819 1072387550 /nfs/dbraw/zinc/38/75/50/1072387550.db2.gz BYIXZWKAHIIBIS-FTUHBYGFSA-N 1 0 392.847 -0.088 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1O ZINC000970703841 1072387207 /nfs/dbraw/zinc/38/72/07/1072387207.db2.gz COCBTCFKNKTQFQ-CVMIBZJCSA-N 1 0 383.412 -0.499 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H](O)C2)CC1 ZINC000970704317 1072388476 /nfs/dbraw/zinc/38/84/76/1072388476.db2.gz OMELKRYVGBRESE-KONPQCLYSA-N 1 0 389.500 -0.057 20 0 GBADRO Cc1ccnc2nc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3O)nn21 ZINC000970707222 1072389516 /nfs/dbraw/zinc/38/95/16/1072389516.db2.gz UMEUCCSLVLPVMH-SYQHCUMBSA-N 1 0 387.444 -0.926 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000970707526 1072389981 /nfs/dbraw/zinc/38/99/81/1072389981.db2.gz ZGDJWWYKFVUMPU-KONPQCLYSA-N 1 0 389.500 -0.057 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(NC(N)=O)cc3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970731016 1072394476 /nfs/dbraw/zinc/39/44/76/1072394476.db2.gz KFXNTRVXQKMIHW-MPESAESLSA-N 1 0 389.456 -0.181 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CN3CCCCCC3=O)[C@@H](O)C2)CC[N@@H+]1C ZINC000970772752 1072408182 /nfs/dbraw/zinc/40/81/82/1072408182.db2.gz NYZYRWHRTHYOKT-FPCVCCKLSA-N 1 0 380.489 -0.583 20 0 GBADRO O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000970791545 1072412371 /nfs/dbraw/zinc/41/23/71/1072412371.db2.gz GHCLHEGXBBJRHM-CLWJZODNSA-N 1 0 377.485 -0.167 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3cnn(CC)c3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970804083 1072413767 /nfs/dbraw/zinc/41/37/67/1072413767.db2.gz ZKDVSCOTBBHMIZ-HZMVEIRTSA-N 1 0 377.489 -0.136 20 0 GBADRO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2O)c(C)nn1C ZINC000970806016 1072414679 /nfs/dbraw/zinc/41/46/79/1072414679.db2.gz YUBMUAYNOHFANX-OXHZDVMGSA-N 1 0 388.428 -0.435 20 0 GBADRO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2O)c(C)nn1C ZINC000970806574 1072414849 /nfs/dbraw/zinc/41/48/49/1072414849.db2.gz GDNAOBZXPHVEQZ-SYQHCUMBSA-N 1 0 379.461 -0.621 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3c(C)nn(C)c3OC)[C@@H](O)C2)CC[N@@H+]1C ZINC000970806844 1072415105 /nfs/dbraw/zinc/41/51/05/1072415105.db2.gz MXZKQTUVZDPCDA-YJNKXOJESA-N 1 0 393.488 -0.231 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ccnc(N(C)C)c3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970808234 1072414925 /nfs/dbraw/zinc/41/49/25/1072414925.db2.gz GEMIPXQECAGAJS-MIGQKNRLSA-N 1 0 375.473 -0.211 20 0 GBADRO CN(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2O)ccn1 ZINC000970808350 1072414789 /nfs/dbraw/zinc/41/47/89/1072414789.db2.gz GHPCWBHCZZPLNF-XOUADPBQSA-N 1 0 384.440 -0.024 20 0 GBADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2O)ncc1C(N)=O ZINC000970828255 1072423593 /nfs/dbraw/zinc/42/35/93/1072423593.db2.gz IPSDULSDZKSKJD-BHTHQVBYSA-N 1 0 389.456 -0.869 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2O)O1 ZINC000970834697 1072424796 /nfs/dbraw/zinc/42/47/96/1072424796.db2.gz GILZBPIGMXFMPT-DMRZNYOFSA-N 1 0 379.461 -0.686 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2O)O1 ZINC000970835662 1072425682 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CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](O)C1 ZINC000970848300 1072429750 /nfs/dbraw/zinc/42/97/50/1072429750.db2.gz JBIDAARWOXVVIR-MTSZKFMLSA-N 1 0 395.500 -0.400 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3nn(C)c4c3CCCC4)[C@@H](O)C2)CC[N@@H+]1C ZINC000970849429 1072430355 /nfs/dbraw/zinc/43/03/55/1072430355.db2.gz ASKHBDCGNQLEGE-SMKXDYDZSA-N 1 0 389.500 -0.059 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC000970849547 1072431128 /nfs/dbraw/zinc/43/11/28/1072431128.db2.gz FBMSGTJMWSKSEF-WTTBNOFXSA-N 1 0 384.440 -0.548 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC000970849812 1072430447 /nfs/dbraw/zinc/43/04/47/1072430447.db2.gz JLVXEVAAWPEVAI-QXSJWSMHSA-N 1 0 384.440 -0.548 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC000970850085 1072430425 /nfs/dbraw/zinc/43/04/25/1072430425.db2.gz MZCNIMFFRVIHKQ-WTTBNOFXSA-N 1 0 385.424 -0.284 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H](O)C2)CC1 ZINC000970851754 1072431744 /nfs/dbraw/zinc/43/17/44/1072431744.db2.gz AAFGOAFMCKEQKG-MLHJIOFPSA-N 1 0 389.500 -0.057 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2O)cn1 ZINC000970851831 1072431812 /nfs/dbraw/zinc/43/18/12/1072431812.db2.gz DBINTPCQYVYVGH-JJXSEGSLSA-N 1 0 375.473 -0.304 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)cn1 ZINC000970851853 1072431635 /nfs/dbraw/zinc/43/16/35/1072431635.db2.gz FDBLRRJRJXASBX-HZMVEIRTSA-N 1 0 375.473 -0.304 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2O)cn1 ZINC000970852200 1072432594 /nfs/dbraw/zinc/43/25/94/1072432594.db2.gz KBRZRKMXVXWQEN-HZMVEIRTSA-N 1 0 387.484 -0.160 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)cn1 ZINC000970852905 1072431099 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Cn1c(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC000971968064 1072285584 /nfs/dbraw/zinc/28/55/84/1072285584.db2.gz BLVHPJVFNYQROQ-JHMDWKRSSA-N 1 0 388.468 -0.460 20 0 GBADRO Cn1c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc(=O)n(C)c1=O ZINC000971968065 1072285348 /nfs/dbraw/zinc/28/53/48/1072285348.db2.gz BLVHPJVFNYQROQ-OWGXSOMWSA-N 1 0 388.468 -0.460 20 0 GBADRO C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971997303 1072290553 /nfs/dbraw/zinc/29/05/53/1072290553.db2.gz KMRRWEDEDGEEAO-KNCOVGOOSA-N 1 0 380.445 -0.878 20 0 GBADRO C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971997307 1072291117 /nfs/dbraw/zinc/29/11/17/1072291117.db2.gz KMRRWEDEDGEEAO-RZLSGREXSA-N 1 0 380.445 -0.878 20 0 GBADRO C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971999069 1072291553 /nfs/dbraw/zinc/29/15/53/1072291553.db2.gz ZQUHPKGFQYOIQA-JTOWHCCKSA-N 1 0 379.457 -0.280 20 0 GBADRO C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000971999070 1072291484 /nfs/dbraw/zinc/29/14/84/1072291484.db2.gz ZQUHPKGFQYOIQA-YRBFXIGRSA-N 1 0 379.457 -0.280 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4nccnc4C(N)=O)[C@@H]3C2)CC[N@@H+]1C ZINC000972104343 1072318677 /nfs/dbraw/zinc/31/86/77/1072318677.db2.gz RTKPCTDKWKECCM-AAVRWANBSA-N 1 0 386.456 -0.411 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4C(=O)CCC4=O)[C@@H]3C2)CC[N@@H+]1C ZINC000972105828 1072318409 /nfs/dbraw/zinc/31/84/09/1072318409.db2.gz DGKFOJKTEYHACE-KBUPBQIOSA-N 1 0 376.457 -0.465 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4C(=O)CCC4=O)[C@@H]3C2)CC[N@@H+]1C ZINC000972105833 1072318149 /nfs/dbraw/zinc/31/81/49/1072318149.db2.gz DPDNZNSBTORYJN-QKPAOTATSA-N 1 0 390.484 -0.075 20 0 GBADRO C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)CC1 ZINC000972144144 1072336789 /nfs/dbraw/zinc/33/67/89/1072336789.db2.gz JLEBCRZIRGJAHX-WCXIOVBPSA-N 1 0 392.500 -0.190 20 0 GBADRO COCCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)nn1 ZINC000972152660 1072339503 /nfs/dbraw/zinc/33/95/03/1072339503.db2.gz QLSVARIYKBCVMM-KCYZZUKISA-N 1 0 390.488 -0.062 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cn(C)c(=O)[nH]c4=O)[C@@H]3C2)CC[N@@H+]1C ZINC000972228755 1072364603 /nfs/dbraw/zinc/36/46/03/1072364603.db2.gz WMCGWKGKIPRKJM-RGCMKSIDSA-N 1 0 389.456 -0.501 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)O1 ZINC000972245565 1072366680 /nfs/dbraw/zinc/36/66/80/1072366680.db2.gz GODZUBDDPWNILC-VQHPVUNQSA-N 1 0 392.500 -0.045 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)O1 ZINC000972252561 1072367529 /nfs/dbraw/zinc/36/75/29/1072367529.db2.gz HCCSBGFZIAQDRO-WCXIOVBPSA-N 1 0 392.500 -0.223 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CS(=O)(=O)C4)[C@@H]3C2)CC[N@@H+]1C ZINC000972329249 1072383803 /nfs/dbraw/zinc/38/38/03/1072383803.db2.gz LDDUXBBNJWAKLC-SLBVQIDZSA-N 1 0 383.514 -0.179 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)cn1 ZINC000972391626 1072402250 /nfs/dbraw/zinc/40/22/50/1072402250.db2.gz VCBGKWPYPZFVGG-DMRZNYOFSA-N 1 0 388.472 -0.761 20 0 GBADRO Cn1c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc(=O)n(C)c1=O ZINC000972401780 1072405042 /nfs/dbraw/zinc/40/50/42/1072405042.db2.gz QIRBRQGMWACXKQ-MIGQKNRLSA-N 1 0 376.457 -0.316 20 0 GBADRO Cn1c(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc(=O)n(C)c1=O ZINC000972401781 1072404948 /nfs/dbraw/zinc/40/49/48/1072404948.db2.gz QIRBRQGMWACXKQ-XZDPQHSOSA-N 1 0 376.457 -0.316 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)CC1 ZINC000972403295 1072405979 /nfs/dbraw/zinc/40/59/79/1072405979.db2.gz FYTBNHJLAHGLHN-FPCVCCKLSA-N 1 0 378.473 -0.722 20 0 GBADRO 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NYRLORGNANOISF-VVLHAWIVSA-N 1 0 392.500 -0.190 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cnnn4)[C@@H]3C2)CC[N@@H+]1C ZINC001022516374 1072273669 /nfs/dbraw/zinc/27/36/69/1072273669.db2.gz PURMVYZRHPGPFM-CAOSSQGBSA-N 1 0 375.477 -0.147 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)CC1 ZINC001022528142 1072276529 /nfs/dbraw/zinc/27/65/29/1072276529.db2.gz GZRJVPIIUAAZHD-DRPJVOAASA-N 1 0 378.473 -0.722 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)CC1 ZINC001022559235 1072283174 /nfs/dbraw/zinc/28/31/74/1072283174.db2.gz ZLFQVHFJMXPPDF-JJXSEGSLSA-N 1 0 378.473 -0.722 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(=O)NC4=O)[C@@H]3C2)CC[N@@H+]1C ZINC001022695630 1072319419 /nfs/dbraw/zinc/31/94/19/1072319419.db2.gz YRNSWERFPIHOOG-LXTVHRRPSA-N 1 0 391.472 -0.672 20 0 GBADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)co4)[C@@H]3C2)O1 ZINC001022705612 1072326050 /nfs/dbraw/zinc/32/60/50/1072326050.db2.gz SKZDCBVAFAAINY-FAXLKDOZSA-N 1 0 390.440 -0.230 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)O1 ZINC001022709312 1072328744 /nfs/dbraw/zinc/32/87/44/1072328744.db2.gz BACVKTFITRMTHP-VVLHAWIVSA-N 1 0 392.500 -0.223 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)O1 ZINC001022710644 1072330099 /nfs/dbraw/zinc/33/00/99/1072330099.db2.gz AGJAOEFCBCUASS-LJISPDSOSA-N 1 0 376.457 -0.826 20 0 GBADRO C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)CC1 ZINC001022710954 1072332395 /nfs/dbraw/zinc/33/23/95/1072332395.db2.gz HQSLEDNWLVGZGI-XUWVNRHRSA-N 1 0 378.473 -0.580 20 0 GBADRO CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1)[NH+]1CCCC1 ZINC001022711076 1072331656 /nfs/dbraw/zinc/33/16/56/1072331656.db2.gz KLFDPGXTWJWAOH-XUWVNRHRSA-N 1 0 392.500 -0.047 20 0 GBADRO CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1)c1cnc[nH]1 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CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)C1 ZINC001022713351 1072334856 /nfs/dbraw/zinc/33/48/56/1072334856.db2.gz GUTSRHOGUFJEPH-XUWVNRHRSA-N 1 0 392.500 -0.190 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)O1 ZINC001022714320 1072336829 /nfs/dbraw/zinc/33/68/29/1072336829.db2.gz YTYNVKADRGVWTH-VVLHAWIVSA-N 1 0 392.500 -0.045 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)C1 ZINC001022725687 1072345355 /nfs/dbraw/zinc/34/53/55/1072345355.db2.gz WVTUCRLAGKYZLE-XUWVNRHRSA-N 1 0 392.500 -0.190 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)CC1 ZINC001022727870 1072347101 /nfs/dbraw/zinc/34/71/01/1072347101.db2.gz OEZNSQMICPDVOV-DRPJVOAASA-N 1 0 378.473 -0.722 20 0 GBADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001022731499 1072350225 /nfs/dbraw/zinc/35/02/25/1072350225.db2.gz PGIFYKDRJHUUJB-XUWVNRHRSA-N 1 0 392.500 -0.475 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)n1 ZINC001022732573 1072351207 /nfs/dbraw/zinc/35/12/07/1072351207.db2.gz SPJAWNSXVBAAIL-KNCOVGOOSA-N 1 0 388.472 -0.761 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cn1 ZINC001022732798 1072351125 /nfs/dbraw/zinc/35/11/25/1072351125.db2.gz WPUGTWPAEKFAQY-DRPJVOAASA-N 1 0 388.472 -0.761 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001022744078 1072357108 /nfs/dbraw/zinc/35/71/08/1072357108.db2.gz BLFLHCIXSFCQFL-JJTUDDRGSA-N 1 0 378.473 -0.519 20 0 GBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC001022746604 1072358227 /nfs/dbraw/zinc/35/82/27/1072358227.db2.gz OQBXXBFCWOUEDL-AQGHMYMLSA-N 1 0 378.473 -0.485 20 0 GBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC001022746607 1072359237 /nfs/dbraw/zinc/35/92/37/1072359237.db2.gz OQBXXBFCWOUEDL-IJOLSIAMSA-N 1 0 378.473 -0.485 20 0 GBADRO NC(=O)C1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001022746994 1072358818 /nfs/dbraw/zinc/35/88/18/1072358818.db2.gz VMZUYOYNJPUSCZ-JKJDWNRSSA-N 1 0 378.473 -0.485 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)[C@@H]3C2)CC[N@@H+]1C ZINC001022770537 1072369781 /nfs/dbraw/zinc/36/97/81/1072369781.db2.gz GWORWNGEZXZAOF-BYNSBNAKSA-N 1 0 391.472 -0.672 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4C(=O)CN(C)C4=O)[C@@H]3C2)CC[N@@H+]1C ZINC001022770997 1072370392 /nfs/dbraw/zinc/37/03/92/1072370392.db2.gz SYHVEWRPMCHKKT-LXTVHRRPSA-N 1 0 391.472 -0.720 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)CC1 ZINC001022864302 1072400581 /nfs/dbraw/zinc/40/05/81/1072400581.db2.gz IVLKVKLKUYEFNN-SYQHCUMBSA-N 1 0 375.416 -0.314 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC001023102498 1072461406 /nfs/dbraw/zinc/46/14/06/1072461406.db2.gz PVZVYEILPOCCAA-DZUCGIPZSA-N 1 0 391.472 -0.542 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)CC1 ZINC001023119146 1072465725 /nfs/dbraw/zinc/46/57/25/1072465725.db2.gz QXSLREOQACGIHR-VQHPVUNQSA-N 1 0 391.472 -0.542 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)CC1 ZINC001023134473 1072467666 /nfs/dbraw/zinc/46/76/66/1072467666.db2.gz SGYZZMNVWMFPQV-DZUCGIPZSA-N 1 0 392.456 -0.277 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)CC1 ZINC001023197607 1072477921 /nfs/dbraw/zinc/47/79/21/1072477921.db2.gz GHLBFYKOEWUVID-SRABZTEZSA-N 1 0 392.456 -0.277 20 0 GBADRO O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001023499865 1072523830 /nfs/dbraw/zinc/52/38/30/1072523830.db2.gz JWPJQYJOCRYEIM-HLUFSKSISA-N 1 0 376.457 -0.210 20 0 GBADRO O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 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1072525428 /nfs/dbraw/zinc/52/54/28/1072525428.db2.gz RSQMNANLSHOGGW-RGCMKSIDSA-N 1 0 378.429 -0.635 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)CC1 ZINC001023626328 1072550799 /nfs/dbraw/zinc/55/07/99/1072550799.db2.gz APCFIDZBRJZANJ-FPCVCCKLSA-N 1 0 391.472 -0.542 20 0 GBADRO CC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)CC1 ZINC001023662621 1072557012 /nfs/dbraw/zinc/55/70/12/1072557012.db2.gz XJWZQMLBEWUKBM-BASLNEPJSA-N 1 0 380.489 -0.727 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(NC(N)=O)c3)C2)CC[N@@H+]1C ZINC001023665106 1072557118 /nfs/dbraw/zinc/55/71/18/1072557118.db2.gz BQIPYWYILQZULW-RAEVTNRLSA-N 1 0 389.456 -0.181 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccccc3=O)C2)CC[N@@H+]1C ZINC001023668304 1072557466 /nfs/dbraw/zinc/55/74/66/1072557466.db2.gz FYKKWRBGEWKADN-ZJIFWQFVSA-N 1 0 376.457 -0.734 20 0 GBADRO CCCn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)ccc1=O 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382.505 -0.875 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023694037 1072563611 /nfs/dbraw/zinc/56/36/11/1072563611.db2.gz GGVPFVBNEDRSNX-QKPAOTATSA-N 1 0 380.489 -0.870 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001023694114 1072565148 /nfs/dbraw/zinc/56/51/48/1072565148.db2.gz ITYICKILWULKGN-YFHUEUNASA-N 1 0 389.500 -0.057 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001023694206 1072564635 /nfs/dbraw/zinc/56/46/35/1072564635.db2.gz NGMWFQRMWMQNFF-DTZQCDIJSA-N 1 0 380.489 -0.679 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001023694242 1072564623 /nfs/dbraw/zinc/56/46/23/1072564623.db2.gz OPJSJJATRZBPSR-BSDSXHPESA-N 1 0 389.500 -0.057 20 0 GBADRO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)CC1 ZINC001023694372 1072565301 /nfs/dbraw/zinc/56/53/01/1072565301.db2.gz 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ZINC001023742356 1072576515 /nfs/dbraw/zinc/57/65/15/1072576515.db2.gz RGPMHUBMAQBMED-YLFCFFPRSA-N 1 0 390.484 -0.425 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001023754381 1072590785 /nfs/dbraw/zinc/59/07/85/1072590785.db2.gz KJUBGCQMXMNZAL-KLHDSHLOSA-N 1 0 380.489 -0.727 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(C4CC4)[nH]c3=O)C2)CC[N@@H+]1C ZINC001023756815 1072591790 /nfs/dbraw/zinc/59/17/90/1072591790.db2.gz GTWREABVTXBCOD-PZTHBURQSA-N 1 0 389.456 -0.299 20 0 GBADRO COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]2O)no1 ZINC001023758322 1072592286 /nfs/dbraw/zinc/59/22/86/1072592286.db2.gz IJGVISWLKBBEMV-YIKOMLBNSA-N 1 0 375.385 -0.351 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(COC)on3)C2)CC[N@@H+]1C ZINC001023760744 1072594890 /nfs/dbraw/zinc/59/48/90/1072594890.db2.gz JLEWISKAHDAZDA-LCGIIJARSA-N 1 0 380.445 -0.147 20 0 GBADRO 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388.877 -0.183 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncc(C(N)=O)c3)C2)CC[N@@H+]1C ZINC001023830369 1072606759 /nfs/dbraw/zinc/60/67/59/1072606759.db2.gz ZUDXNWSFKRLVNP-ZJIFWQFVSA-N 1 0 389.456 -0.788 20 0 GBADRO Cc1nn2cccnc2c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001023834291 1072606968 /nfs/dbraw/zinc/60/69/68/1072606968.db2.gz WNNAKOCJUHSQPK-KBUPBQIOSA-N 1 0 386.456 -0.321 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(N(C)C)cn3)C2)CC[N@@H+]1C ZINC001023842610 1072607540 /nfs/dbraw/zinc/60/75/40/1072607540.db2.gz FEPMQBHLQUYUDK-QHSBEEBCSA-N 1 0 376.461 -0.816 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc(N(C)C)cn3)C2)CC[N@@H+]1C ZINC001023842795 1072607456 /nfs/dbraw/zinc/60/74/56/1072607456.db2.gz HYWCXUAKLQHRND-LCGIIJARSA-N 1 0 390.488 -0.426 20 0 GBADRO CC(C)Oc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)cn1 ZINC001023842860 1072607968 /nfs/dbraw/zinc/60/79/68/1072607968.db2.gz JLACHXWZJGIJCI-RRCSTGOVSA-N 1 0 391.472 -0.095 20 0 GBADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023843610 1072607586 /nfs/dbraw/zinc/60/75/86/1072607586.db2.gz PIRAEHVGVFSZFP-JJXSEGSLSA-N 1 0 383.489 -0.257 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccnn3CC(F)F)C2)CC[N@@H+]1C ZINC001023844097 1072607663 /nfs/dbraw/zinc/60/76/63/1072607663.db2.gz WIXSAERTZKWFLU-HKUMRIAESA-N 1 0 385.415 -0.210 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]nc4c3CCCC4)C2)CC[N@@H+]1C ZINC001023847387 1072607830 /nfs/dbraw/zinc/60/78/30/1072607830.db2.gz FHUCDHZRWAESJN-XHSVMWQWSA-N 1 0 389.500 -0.141 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(OC)ncn3)C2)CC[N@@H+]1C ZINC001023861483 1072609863 /nfs/dbraw/zinc/60/98/63/1072609863.db2.gz VNDWYGVASGXQMI-ZGKBOVNRSA-N 1 0 377.445 -0.483 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4n[nH]nc43)C2)CC[N@@H+]1C ZINC001023865270 1072609975 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1072612111 /nfs/dbraw/zinc/61/21/11/1072612111.db2.gz XEQFAJOAWALXMC-HKUMRIAESA-N 1 0 382.486 -0.069 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001023924593 1072615607 /nfs/dbraw/zinc/61/56/07/1072615607.db2.gz AGAYTNLPTWSPRV-XOSAIJSUSA-N 1 0 375.473 -0.208 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)cn1 ZINC001023925045 1072615307 /nfs/dbraw/zinc/61/53/07/1072615307.db2.gz MZJQFXSTSCVHHK-YLFCFFPRSA-N 1 0 375.473 -0.208 20 0 GBADRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023934896 1072616082 /nfs/dbraw/zinc/61/60/82/1072616082.db2.gz FPFVMSLACINPAZ-DZUCGIPZSA-N 1 0 393.488 -0.439 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2O)cn1 ZINC001023934992 1072617216 /nfs/dbraw/zinc/61/72/16/1072617216.db2.gz JBPOOIOUIMOMJY-YKTARERQSA-N 1 0 375.473 -0.064 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2O)cn1 ZINC001023935104 1072617113 /nfs/dbraw/zinc/61/71/13/1072617113.db2.gz MKORGLDCUPLCIK-HHARLNAUSA-N 1 0 391.472 -0.686 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023935258 1072617282 /nfs/dbraw/zinc/61/72/82/1072617282.db2.gz OXJFFNAMHWGMST-MIGQKNRLSA-N 1 0 379.461 -0.829 20 0 GBADRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023935334 1072617059 /nfs/dbraw/zinc/61/70/59/1072617059.db2.gz STKLGLHDVAPEGN-VQHPVUNQSA-N 1 0 393.488 -0.439 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2O)cn1 ZINC001023935351 1072617340 /nfs/dbraw/zinc/61/73/40/1072617340.db2.gz UEBWOLYNBRNZDA-YLFCFFPRSA-N 1 0 375.473 -0.208 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)O1 ZINC001023935353 1072617097 /nfs/dbraw/zinc/61/70/97/1072617097.db2.gz UJKQMEVPXDTZMF-DTZQCDIJSA-N 1 0 379.461 -0.686 20 0 GBADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023942206 1072619634 /nfs/dbraw/zinc/61/96/34/1072619634.db2.gz PWVHBSNUPXUTMI-YFHUEUNASA-N 1 0 391.472 -0.928 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C4CCC4)nn3)C2)CC[N@@H+]1C ZINC001023945770 1072620636 /nfs/dbraw/zinc/62/06/36/1072620636.db2.gz ZFMCSNHIGFRTLG-XKVFNRALSA-N 1 0 376.461 -0.355 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)CC1 ZINC001023950967 1072623037 /nfs/dbraw/zinc/62/30/37/1072623037.db2.gz CMHRJIYARZMCNJ-DZUCGIPZSA-N 1 0 392.456 -0.277 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)CC1 ZINC001023951000 1072623204 /nfs/dbraw/zinc/62/32/04/1072623204.db2.gz DWBBMEYEWIKPKQ-DZUCGIPZSA-N 1 0 391.472 -0.542 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)CC1 ZINC001023951103 1072623362 /nfs/dbraw/zinc/62/33/62/1072623362.db2.gz IAADUFPVHLRSEF-FPCVCCKLSA-N 1 0 391.472 -0.542 20 0 GBADRO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001023951137 1072623268 /nfs/dbraw/zinc/62/32/68/1072623268.db2.gz IUVDGAGWQIJWJV-ANQUJSFKSA-N 1 0 385.530 -0.216 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)C1 ZINC001023951145 1072623333 /nfs/dbraw/zinc/62/33/33/1072623333.db2.gz IXPQVCHLYDLAEP-RAEVTNRLSA-N 1 0 385.424 -0.450 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)C1 ZINC001023951385 1072621970 /nfs/dbraw/zinc/62/19/70/1072621970.db2.gz NTXGSWWAEVDKPI-KBUPBQIOSA-N 1 0 378.473 -0.783 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)C1 ZINC001023951425 1072622508 /nfs/dbraw/zinc/62/25/08/1072622508.db2.gz PDGWCTNKVWKQMN-XKVFNRALSA-N 1 0 389.456 -0.636 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)CC1 ZINC001023951450 1072621984 /nfs/dbraw/zinc/62/19/84/1072621984.db2.gz PXYYNIPPQACZDH-VQHPVUNQSA-N 1 0 391.472 -0.542 20 0 GBADRO O=C(C[NH+]1CCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001023951497 1072622363 /nfs/dbraw/zinc/62/23/63/1072622363.db2.gz QUMOGAOPUYOFHB-MTNOOBJLSA-N 1 0 388.468 -0.057 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)CC1 ZINC001023951701 1072624623 /nfs/dbraw/zinc/62/46/23/1072624623.db2.gz DBLGHGUNAJHNER-MIGQKNRLSA-N 1 0 393.444 -0.882 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001023951713 1072624584 /nfs/dbraw/zinc/62/45/84/1072624584.db2.gz DPNSCWZTHMGZOW-KLHDSHLOSA-N 1 0 380.489 -0.679 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)CC1 ZINC001023951822 1072624675 /nfs/dbraw/zinc/62/46/75/1072624675.db2.gz XGSJULUXIZIDBJ-SRABZTEZSA-N 1 0 392.456 -0.277 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)CC1 ZINC001023951960 1072625321 /nfs/dbraw/zinc/62/53/21/1072625321.db2.gz GUSMFAIUPCHPNL-ANQUJSFKSA-N 1 0 392.456 -0.277 20 0 GBADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)CC1 ZINC001023952274 1072623963 /nfs/dbraw/zinc/62/39/63/1072623963.db2.gz NJDWLTIOVSAKKF-SYQHCUMBSA-N 1 0 375.416 -0.314 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2O)C1 ZINC001023952769 1072624604 /nfs/dbraw/zinc/62/46/04/1072624604.db2.gz ZQUQAFIFQQUEQJ-NMFUWQPSSA-N 1 0 392.456 -0.443 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2O)C1 ZINC001023954623 1072627161 /nfs/dbraw/zinc/62/71/61/1072627161.db2.gz FVHZGZAAKJSCQJ-KLHDSHLOSA-N 1 0 392.500 -0.535 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023954753 1072627821 /nfs/dbraw/zinc/62/78/21/1072627821.db2.gz JHZNQZAFLKGRMC-KBUPBQIOSA-N 1 0 380.489 -0.537 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)O1 ZINC001023954773 1072628060 /nfs/dbraw/zinc/62/80/60/1072628060.db2.gz CBJPHWWOZNLBEX-DTZQCDIJSA-N 1 0 379.461 -0.686 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2O)n1 ZINC001023954787 1072627841 /nfs/dbraw/zinc/62/78/41/1072627841.db2.gz CIMARIIBNSHYDK-NVQRDWNXSA-N 1 0 375.473 -0.064 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023954802 1072627918 /nfs/dbraw/zinc/62/79/18/1072627918.db2.gz JXNKNMWODDHLQP-DTZQCDIJSA-N 1 0 380.489 -0.679 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001023954864 1072627711 /nfs/dbraw/zinc/62/77/11/1072627711.db2.gz KWMONTSQWHHBIJ-KBUPBQIOSA-N 1 0 380.489 -0.679 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2O)n1 ZINC001023954911 1072627790 /nfs/dbraw/zinc/62/77/90/1072627790.db2.gz GCGNXWIVGXNDPJ-HSMRXVHUSA-N 1 0 391.472 -0.686 20 0 GBADRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023955001 1072628415 /nfs/dbraw/zinc/62/84/15/1072628415.db2.gz HNEZCXSZJLFLHG-DZUCGIPZSA-N 1 0 393.488 -0.439 20 0 GBADRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023955023 1072628686 /nfs/dbraw/zinc/62/86/86/1072628686.db2.gz HWYXSROPMWJHHZ-DZUCGIPZSA-N 1 0 393.488 -0.439 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)C1 ZINC001023955201 1072626458 /nfs/dbraw/zinc/62/64/58/1072626458.db2.gz ULAPUUJEMDPZIP-RAEVTNRLSA-N 1 0 385.424 -0.450 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001023955400 1072626535 /nfs/dbraw/zinc/62/65/35/1072626535.db2.gz ZNURSARYFODFJH-KLHDSHLOSA-N 1 0 380.489 -0.535 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023955741 1072628318 /nfs/dbraw/zinc/62/83/18/1072628318.db2.gz URYPGEMEOLUWKK-MIGQKNRLSA-N 1 0 379.461 -0.829 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2O)n1 ZINC001023956012 1072628661 /nfs/dbraw/zinc/62/86/61/1072628661.db2.gz ZECQNHMQMUPBRO-XOSAIJSUSA-N 1 0 375.473 -0.208 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn4c(n3)CCC4)C2)CC[N@@H+]1C ZINC001023964536 1072631928 /nfs/dbraw/zinc/63/19/28/1072631928.db2.gz GWTRSPSMWBAPFM-SJXGUFTOSA-N 1 0 375.473 -0.139 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3noc4c3COCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023967414 1072631656 /nfs/dbraw/zinc/63/16/56/1072631656.db2.gz ADHRUYXXUYDXLD-HBJVGIJOSA-N 1 0 378.429 -0.611 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3C(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001023967436 1072631888 /nfs/dbraw/zinc/63/18/88/1072631888.db2.gz AKTZIMZHIWEAAJ-FPQZTECRSA-N 1 0 385.415 -0.001 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@H]2O)CC[N@@H+]1C ZINC001023967483 1072632699 /nfs/dbraw/zinc/63/26/99/1072632699.db2.gz BOLKIPKWNIYWMY-DMTCVQMQSA-N 1 0 388.428 -0.695 20 0 GBADRO CCOc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001023967518 1072632811 /nfs/dbraw/zinc/63/28/11/1072632811.db2.gz CUNVOQAKBKETQK-QHSBEEBCSA-N 1 0 377.445 -0.483 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)C[C@H]2O)CC[N@@H+]1C ZINC001023967520 1072632604 /nfs/dbraw/zinc/63/26/04/1072632604.db2.gz CUQYJHUTVYMERA-ODVANORSSA-N 1 0 375.473 -0.211 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn4ccccc4n3)C[C@H]2O)CC[N@@H+]1C ZINC001023967523 1072632668 /nfs/dbraw/zinc/63/26/68/1072632668.db2.gz DADFXTKKNCYTKX-MWQQHZPXSA-N 1 0 385.468 -0.095 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023967530 1072632552 /nfs/dbraw/zinc/63/25/52/1072632552.db2.gz DCMOBFDOGMNPMH-IXYNUQLISA-N 1 0 375.473 -0.139 20 0 GBADRO Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C ZINC001023967541 1072632417 /nfs/dbraw/zinc/63/24/17/1072632417.db2.gz DPPCHORBMDDNCT-AAVRWANBSA-N 1 0 377.445 -0.559 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3C3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023967546 1072632638 /nfs/dbraw/zinc/63/26/38/1072632638.db2.gz DTSABEYDBOBIER-UIBBOPPKSA-N 1 0 375.473 -0.061 20 0 GBADRO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(=O)[nH]1 ZINC001023967549 1072632746 /nfs/dbraw/zinc/63/27/46/1072632746.db2.gz DUPNUKRSLSHJDE-RAEVTNRLSA-N 1 0 376.457 -0.009 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4nccnc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023967562 1072632598 /nfs/dbraw/zinc/63/25/98/1072632598.db2.gz FAFVIBHXUNFTCT-UIBBOPPKSA-N 1 0 384.440 -0.334 20 0 GBADRO COc1nc(C)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023967580 1072632463 /nfs/dbraw/zinc/63/24/63/1072632463.db2.gz FIGTZYZMZBJFHS-PZTHBURQSA-N 1 0 377.445 -0.565 20 0 GBADRO CC(=O)Nc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023967632 1072633168 /nfs/dbraw/zinc/63/31/68/1072633168.db2.gz FXIXQFRHRXKLNS-UIBBOPPKSA-N 1 0 389.456 -0.318 20 0 GBADRO COCc1ncsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023967634 1072633883 /nfs/dbraw/zinc/63/38/83/1072633883.db2.gz FYQABGBRTRGABI-HKUMRIAESA-N 1 0 382.486 -0.069 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncc4ncn(C)c43)C[C@H]2O)CC[N@@H+]1C ZINC001023967670 1072633548 /nfs/dbraw/zinc/63/35/48/1072633548.db2.gz GDKHXQJFPQLQCI-CZPYZCIJSA-N 1 0 386.456 -0.390 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c(cn3)OCCO4)C[C@H]2O)CC[N@@H+]1C ZINC001023967676 1072633179 /nfs/dbraw/zinc/63/31/79/1072633179.db2.gz GDRWFYSFCFYSEM-QHSBEEBCSA-N 1 0 390.440 -0.506 20 0 GBADRO Cc1cc(C)n(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023967685 1072633345 /nfs/dbraw/zinc/63/33/45/1072633345.db2.gz GFFNAGTTXXCSER-QBPKDAKJSA-N 1 0 377.489 -0.082 20 0 GBADRO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001023967717 1072633790 /nfs/dbraw/zinc/63/37/90/1072633790.db2.gz GOTHMEWASBZBHA-KLHDSHLOSA-N 1 0 377.489 -0.045 20 0 GBADRO COc1cc(OC)nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023967723 1072633730 /nfs/dbraw/zinc/63/37/30/1072633730.db2.gz GPMDXRVPPWCOOQ-FDYHWXHSSA-N 1 0 393.444 -0.865 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C4CC4)n(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023967731 1072633678 /nfs/dbraw/zinc/63/36/78/1072633678.db2.gz GTFZGFPXRNATHI-WBMRYOJMSA-N 1 0 375.473 -0.061 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)C[C@H]2O)CC[N@@H+]1C ZINC001023967789 1072633324 /nfs/dbraw/zinc/63/33/24/1072633324.db2.gz IECDOKDHNRMDHU-WBMRYOJMSA-N 1 0 386.456 -0.390 20 0 GBADRO COc1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001023967791 1072633741 /nfs/dbraw/zinc/63/37/41/1072633741.db2.gz IENVUDBLTRWLNI-HKUMRIAESA-N 1 0 379.413 -0.710 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)C[C@H]2O)CC[N@@H+]1C ZINC001023967838 1072633775 /nfs/dbraw/zinc/63/37/75/1072633775.db2.gz JHVQMHMHDJUFFY-OJAKKHQRSA-N 1 0 380.470 -0.511 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023967854 1072633210 /nfs/dbraw/zinc/63/32/10/1072633210.db2.gz JWWUYCAXGKSLLZ-RGCMKSIDSA-N 1 0 377.445 -0.945 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3ccc(=O)[nH]c3)C[C@H]2O)CC[N@@H+]1C ZINC001023967860 1072633878 /nfs/dbraw/zinc/63/38/78/1072633878.db2.gz JYLYSNFLTNQKTH-DTZQCDIJSA-N 1 0 376.457 -0.252 20 0 GBADRO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC001023967962 1072633312 /nfs/dbraw/zinc/63/33/12/1072633312.db2.gz KVMSCLKMRACYRG-BASLNEPJSA-N 1 0 376.457 -0.339 20 0 GBADRO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(F)c1 ZINC001023967974 1072634470 /nfs/dbraw/zinc/63/44/70/1072634470.db2.gz KYXLDMXBPHYTHN-PZTHBURQSA-N 1 0 380.420 -0.129 20 0 GBADRO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)nn1 ZINC001023967986 1072634429 /nfs/dbraw/zinc/63/44/29/1072634429.db2.gz LDWWJXODDPDSHH-ODVANORSSA-N 1 0 375.473 -0.011 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023967994 1072634390 /nfs/dbraw/zinc/63/43/90/1072634390.db2.gz LKPGUXFHSHHCDU-FDYHWXHSSA-N 1 0 379.465 -0.930 20 0 GBADRO COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023968004 1072634420 /nfs/dbraw/zinc/63/44/20/1072634420.db2.gz LQZSFCNWWZMVAK-HKUMRIAESA-N 1 0 382.486 -0.069 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)nn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023968032 1072634253 /nfs/dbraw/zinc/63/42/53/1072634253.db2.gz MLKVZJSIGAFZBC-BGOOENEXSA-N 1 0 385.415 -0.001 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnc4ccccc4n3)C[C@H]2O)CC[N@@H+]1C ZINC001023968035 1072634442 /nfs/dbraw/zinc/63/44/42/1072634442.db2.gz MMJYAOXNLXJMQU-CZPYZCIJSA-N 1 0 384.440 -0.334 20 0 GBADRO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968068 1072634413 /nfs/dbraw/zinc/63/44/13/1072634413.db2.gz NGTNCCGQRYYCAN-NMFUWQPSSA-N 1 0 377.441 -0.102 20 0 GBADRO COCc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001023968072 1072634452 /nfs/dbraw/zinc/63/44/52/1072634452.db2.gz NHYMHEWPSLURCW-FDYHWXHSSA-N 1 0 382.486 -0.069 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(F)F)n(C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023968099 1072634276 /nfs/dbraw/zinc/63/42/76/1072634276.db2.gz NYWCRRISMLJWDE-BGOOENEXSA-N 1 0 385.415 -0.001 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968100 1072634278 /nfs/dbraw/zinc/63/42/78/1072634278.db2.gz NZGMDUWCMUBKIG-RGCMKSIDSA-N 1 0 378.477 -0.325 20 0 GBADRO COc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001023968106 1072634361 /nfs/dbraw/zinc/63/43/61/1072634361.db2.gz ODZWTHPZACTADA-NLRBGTRBSA-N 1 0 378.429 -0.975 20 0 GBADRO Cc1cc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(=O)[nH]1 ZINC001023968111 1072634233 /nfs/dbraw/zinc/63/42/33/1072634233.db2.gz OJIVINPZUKIBQO-MUIFIZLQSA-N 1 0 390.484 -0.025 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968115 1072634586 /nfs/dbraw/zinc/63/45/86/1072634586.db2.gz OOCPJHLWVHDRFX-RGCMKSIDSA-N 1 0 377.445 -0.945 20 0 GBADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn2c1OCCC2 ZINC001023968164 1072634242 /nfs/dbraw/zinc/63/42/42/1072634242.db2.gz PFBVSAJIPOFWJY-KBUPBQIOSA-N 1 0 391.472 -0.384 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnn4c3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968169 1072634368 /nfs/dbraw/zinc/63/43/68/1072634368.db2.gz PLKAPBSLFZDJMC-GFOCRRMGSA-N 1 0 389.500 -0.210 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH]c(=O)[nH]c43)C[C@H]2O)CC[N@@H+]1C ZINC001023968206 1072634317 /nfs/dbraw/zinc/63/43/17/1072634317.db2.gz QJSPRRQJWYJIBU-YIKOMLBNSA-N 1 0 387.440 -0.090 20 0 GBADRO Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968214 1072634613 /nfs/dbraw/zinc/63/46/13/1072634613.db2.gz QLLMAZXFWOMXLK-BNEJOLLZSA-N 1 0 391.516 -0.002 20 0 GBADRO CNC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001023968224 1072634483 /nfs/dbraw/zinc/63/44/83/1072634483.db2.gz QVDMRSQKYMQPPS-BASLNEPJSA-N 1 0 388.468 -0.312 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc4n3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968240 1072632772 /nfs/dbraw/zinc/63/27/72/1072632772.db2.gz RJRPHADYBRSHDC-DTZQCDIJSA-N 1 0 375.473 -0.139 20 0 GBADRO COc1ccncc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968267 1072632757 /nfs/dbraw/zinc/63/27/57/1072632757.db2.gz RVLKFYVXNCWFEM-DTZQCDIJSA-N 1 0 376.457 -0.339 20 0 GBADRO CC(=O)Nc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC001023968280 1072632707 /nfs/dbraw/zinc/63/27/07/1072632707.db2.gz SAHADSWVFCIKRR-MDNXKNQGSA-N 1 0 389.456 -0.318 20 0 GBADRO COc1cccnc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968287 1072632716 /nfs/dbraw/zinc/63/27/16/1072632716.db2.gz SBSCNBCPMGKXKH-RRCSTGOVSA-N 1 0 376.457 -0.339 20 0 GBADRO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023968312 1072632586 /nfs/dbraw/zinc/63/25/86/1072632586.db2.gz SUKYJDRSVLMKBZ-BASLNEPJSA-N 1 0 375.473 -0.254 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968320 1072632559 /nfs/dbraw/zinc/63/25/59/1072632559.db2.gz TUIWKNLIJZORNB-NMFUWQPSSA-N 1 0 383.880 -0.045 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3ccccc3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023968327 1072632529 /nfs/dbraw/zinc/63/25/29/1072632529.db2.gz TZDAWFMODSCROS-KLHDSHLOSA-N 1 0 376.457 -0.734 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3C(N)=O)C[C@H]2O)CC[N@@H+]1C ZINC001023968378 1072632498 /nfs/dbraw/zinc/63/24/98/1072632498.db2.gz UHCFISABYHZJSV-ODVANORSSA-N 1 0 388.468 -0.644 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4nnn(C)c43)C[C@H]2O)CC[N@@H+]1C ZINC001023968385 1072632645 /nfs/dbraw/zinc/63/26/45/1072632645.db2.gz UQVXJGLNUUWHIC-CZPYZCIJSA-N 1 0 386.456 -0.390 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cn4c(n3)CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968390 1072632787 /nfs/dbraw/zinc/63/27/87/1072632787.db2.gz UVBITLSCDGYHSL-MWQQHZPXSA-N 1 0 389.500 -0.210 20 0 GBADRO COCc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001023968398 1072632733 /nfs/dbraw/zinc/63/27/33/1072632733.db2.gz VGIWVFVHVCSPCY-BASLNEPJSA-N 1 0 376.457 -0.130 20 0 GBADRO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968407 1072632662 /nfs/dbraw/zinc/63/26/62/1072632662.db2.gz VIZZCFKWIKHFER-ODVANORSSA-N 1 0 377.489 -0.392 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968420 1072632802 /nfs/dbraw/zinc/63/28/02/1072632802.db2.gz VVFKIWTUTZFQSV-ODVANORSSA-N 1 0 375.473 -0.211 20 0 GBADRO Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C ZINC001023968436 1072632725 /nfs/dbraw/zinc/63/27/25/1072632725.db2.gz WQTPERHLFYRKAR-KBUPBQIOSA-N 1 0 391.472 -0.961 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(c3)ncn4C)C[C@H]2O)CC[N@@H+]1C ZINC001023968460 1072632571 /nfs/dbraw/zinc/63/25/71/1072632571.db2.gz WZYMPXYLGNBZRV-UIBBOPPKSA-N 1 0 386.456 -0.390 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnc4c3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968480 1072632820 /nfs/dbraw/zinc/63/28/20/1072632820.db2.gz XNWYYZBEEMDAMQ-GZOSKZMVSA-N 1 0 389.500 -0.210 20 0 GBADRO COc1ncnc(OC)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023968484 1072632541 /nfs/dbraw/zinc/63/25/41/1072632541.db2.gz XQNCYVCIIQEDKM-FDYHWXHSSA-N 1 0 393.444 -0.865 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023968503 1072632511 /nfs/dbraw/zinc/63/25/11/1072632511.db2.gz YJDSSHMSPQBIIY-NMFUWQPSSA-N 1 0 390.488 -0.737 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]2O)CC[N@@H+]1C ZINC001023968510 1072632579 /nfs/dbraw/zinc/63/25/79/1072632579.db2.gz YMMORXSPPAAZFY-PZTHBURQSA-N 1 0 387.444 -0.995 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnn4ccccc34)C[C@H]2O)CC[N@@H+]1C ZINC001023968524 1072632445 /nfs/dbraw/zinc/63/24/45/1072632445.db2.gz YWERCPUEFNQMNL-GFOCRRMGSA-N 1 0 385.468 -0.095 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3occ4c3CCOC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968532 1072633465 /nfs/dbraw/zinc/63/34/65/1072633465.db2.gz YYBVAERGWGRZLS-UIBBOPPKSA-N 1 0 377.441 -0.006 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C4CCC4)nn3)C[C@H]2O)CC[N@@H+]1C ZINC001023968537 1072633217 /nfs/dbraw/zinc/63/32/17/1072633217.db2.gz ZBMWYOMYBXUXCE-XKVFNRALSA-N 1 0 376.461 -0.355 20 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389.456 -0.299 20 0 GBADRO CC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001023969052 1072633829 /nfs/dbraw/zinc/63/38/29/1072633829.db2.gz FAGBYISHLRAHKJ-BASLNEPJSA-N 1 0 380.489 -0.727 20 0 GBADRO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(=O)[nH]c1C ZINC001023969056 1072633229 /nfs/dbraw/zinc/63/32/29/1072633229.db2.gz FDKDIXHDGBOQLE-AAVRWANBSA-N 1 0 377.445 -0.972 20 0 GBADRO COc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001023969067 1072633864 /nfs/dbraw/zinc/63/38/64/1072633864.db2.gz FPHDFISHEBDNGS-DTZQCDIJSA-N 1 0 376.457 -0.339 20 0 GBADRO Cc1cnc2nc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)nn2c1 ZINC001023969112 1072633242 /nfs/dbraw/zinc/63/32/42/1072633242.db2.gz FSLSRHXLUCKANZ-AAVRWANBSA-N 1 0 387.444 -0.926 20 0 GBADRO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cnn1C ZINC001023969203 1072633253 /nfs/dbraw/zinc/63/32/53/1072633253.db2.gz 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FFIUKSSGKVUESR-UIBBOPPKSA-N 1 0 391.472 -0.630 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023970066 1072636162 /nfs/dbraw/zinc/63/61/62/1072636162.db2.gz FGLBSTZUACAZDZ-FMKGYKFTSA-N 1 0 388.428 -0.923 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)s3)C[C@H]2O)CC[N@@H+]1C ZINC001023970074 1072636152 /nfs/dbraw/zinc/63/61/52/1072636152.db2.gz FOWKDOHGZOSWIK-DDHJBXDOSA-N 1 0 380.470 -0.511 20 0 GBADRO Cc1cnc2c(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)cnn2c1 ZINC001023970241 1072635957 /nfs/dbraw/zinc/63/59/57/1072635957.db2.gz HNAZYDKUMLJKKK-RRCSTGOVSA-N 1 0 386.456 -0.321 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023970269 1072636265 /nfs/dbraw/zinc/63/62/65/1072636265.db2.gz IXSHJKLUJREGKI-WGEPELCKSA-N 1 0 388.428 -0.695 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(CN(C)C)on3)C[C@H]2O)CC[N@@H+]1C ZINC001023970284 1072636129 /nfs/dbraw/zinc/63/61/29/1072636129.db2.gz JMJIXBQOMNIZJS-UIBBOPPKSA-N 1 0 379.461 -0.622 20 0 GBADRO COCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970292 1072637013 /nfs/dbraw/zinc/63/70/13/1072637013.db2.gz JUBHNGJRBQQZMR-ZNEHSRBWSA-N 1 0 379.461 -0.792 20 0 GBADRO Cc1nn2cccnc2c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970407 1072637314 /nfs/dbraw/zinc/63/73/14/1072637314.db2.gz KMTBRXVTFIQKAF-KBUPBQIOSA-N 1 0 386.456 -0.321 20 0 GBADRO Cc1occc(=O)c1OCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970441 1072637336 /nfs/dbraw/zinc/63/73/36/1072637336.db2.gz MDJPCHBDNVPWAX-XKVFNRALSA-N 1 0 393.440 -0.645 20 0 GBADRO COCCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023970453 1072637120 /nfs/dbraw/zinc/63/71/20/1072637120.db2.gz MTOFUZPNEXNICF-RRCSTGOVSA-N 1 0 379.461 -0.829 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3nc(C4CC4)no3)C[C@H]2O)CC[N@@H+]1C ZINC001023970470 1072637048 /nfs/dbraw/zinc/63/70/48/1072637048.db2.gz NGCSRIWXRQXQSX-NMFUWQPSSA-N 1 0 391.472 -0.092 20 0 GBADRO Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970600 1072637245 /nfs/dbraw/zinc/63/72/45/1072637245.db2.gz POUSGZVYSWDTFC-DTZQCDIJSA-N 1 0 391.472 -0.549 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023970627 1072634498 /nfs/dbraw/zinc/63/44/98/1072634498.db2.gz QVWZPOVAAGVCCZ-QTDMDRALSA-N 1 0 387.440 -0.090 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@H]2O)CC[N@@H+]1C ZINC001023970646 1072634434 /nfs/dbraw/zinc/63/44/34/1072634434.db2.gz RUJYMYPIGAVPJE-YIKOMLBNSA-N 1 0 387.440 -0.782 20 0 GBADRO CCc1nnc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970652 1072634537 /nfs/dbraw/zinc/63/45/37/1072634537.db2.gz RZOXNSWXJUWYKG-BQGCOEIASA-N 1 0 375.473 -0.011 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc(C4CC4)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023970674 1072634350 /nfs/dbraw/zinc/63/43/50/1072634350.db2.gz SSJUHTFOQCMZME-BASLNEPJSA-N 1 0 375.473 -0.211 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnc3N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023970678 1072634379 /nfs/dbraw/zinc/63/43/79/1072634379.db2.gz SVOIJWYDAUISRU-RRCSTGOVSA-N 1 0 375.473 -0.211 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023970679 1072634549 /nfs/dbraw/zinc/63/45/49/1072634549.db2.gz SWEUJXLZZVHDGN-MCPWVCTESA-N 1 0 388.468 -0.082 20 0 GBADRO CC(=O)Nc1c[nH]c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970687 1072634338 /nfs/dbraw/zinc/63/43/38/1072634338.db2.gz UAJWPAMDDYMKGS-UIBBOPPKSA-N 1 0 391.472 -0.077 20 0 GBADRO Cc1[nH]nc2ncc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)cc12 ZINC001023970702 1072634327 /nfs/dbraw/zinc/63/43/27/1072634327.db2.gz VDPDFGMKADWJDQ-UIBBOPPKSA-N 1 0 386.456 -0.092 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023970713 1072634628 /nfs/dbraw/zinc/63/46/28/1072634628.db2.gz VUDRUWWNMGTTEU-KLHDSHLOSA-N 1 0 382.505 -0.875 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@H]2O)CC[N@@H+]1C ZINC001023970737 1072634303 /nfs/dbraw/zinc/63/43/03/1072634303.db2.gz XEEUBNZTEDAKAR-QHSBEEBCSA-N 1 0 390.440 -0.506 20 0 GBADRO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(=O)c1 ZINC001023970778 1072634565 /nfs/dbraw/zinc/63/45/65/1072634565.db2.gz ZBYIIBPAAYOPNB-KLHDSHLOSA-N 1 0 376.457 -0.815 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3C(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001023970787 1072635559 /nfs/dbraw/zinc/63/55/59/1072635559.db2.gz ZMTVMOKDPJKXDI-FPQZTECRSA-N 1 0 385.415 -0.001 20 0 GBADRO CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001023971952 1072635555 /nfs/dbraw/zinc/63/55/55/1072635555.db2.gz BMAZEOBWRNCAMX-UIBBOPPKSA-N 1 0 376.457 -0.009 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nnn(C)c4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023971956 1072635548 /nfs/dbraw/zinc/63/55/48/1072635548.db2.gz BQNRSXACULBOLE-WBMRYOJMSA-N 1 0 386.456 -0.390 20 0 GBADRO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001023971963 1072635070 /nfs/dbraw/zinc/63/50/70/1072635070.db2.gz CCCPOZXJTXHFDF-MUIFIZLQSA-N 1 0 393.488 -0.520 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncc4cccnc43)C[C@H]2O)CC[N@@H+]1C ZINC001023971990 1072635537 /nfs/dbraw/zinc/63/55/37/1072635537.db2.gz DCRFYIKYTUGKNB-DTZQCDIJSA-N 1 0 386.456 -0.541 20 0 GBADRO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nnn1C(C)C ZINC001023971999 1072635506 /nfs/dbraw/zinc/63/55/06/1072635506.db2.gz DWGOBYRJERNWAY-NMFUWQPSSA-N 1 0 378.477 -0.191 20 0 GBADRO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001023972002 1072635488 /nfs/dbraw/zinc/63/54/88/1072635488.db2.gz DXMHHEAXDMDULA-DTZQCDIJSA-N 1 0 379.461 -0.829 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4c(cnn4C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023972009 1072635478 /nfs/dbraw/zinc/63/54/78/1072635478.db2.gz FHKUUEQIUAAAFV-RAEVTNRLSA-N 1 0 386.456 -0.390 20 0 GBADRO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1=O ZINC001023972011 1072635199 /nfs/dbraw/zinc/63/51/99/1072635199.db2.gz FMLVSYOZBXJUPX-KLHDSHLOSA-N 1 0 376.457 -0.815 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(N(C)C)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023972040 1072635514 /nfs/dbraw/zinc/63/55/14/1072635514.db2.gz GPIIOPXNMZPTEI-QHSBEEBCSA-N 1 0 376.461 -0.816 20 0 GBADRO Cc1nc2nccc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)n2n1 ZINC001023972093 1072635030 /nfs/dbraw/zinc/63/50/30/1072635030.db2.gz JQMBOEPHHYKVAK-BPGGGUHBSA-N 1 0 387.444 -0.926 20 0 GBADRO CNC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001023972098 1072635570 /nfs/dbraw/zinc/63/55/70/1072635570.db2.gz JWGVDXMAFFJRBT-UIBBOPPKSA-N 1 0 389.456 -0.917 20 0 GBADRO Cc1nc2c(nccc2C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH]1 ZINC001023972111 1072635296 /nfs/dbraw/zinc/63/52/96/1072635296.db2.gz KOXNJKDEBNRPBM-PZTHBURQSA-N 1 0 386.456 -0.092 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cnn(C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023972113 1072635529 /nfs/dbraw/zinc/63/55/29/1072635529.db2.gz KVVBEACLQKAUSS-DTZQCDIJSA-N 1 0 377.489 -0.274 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]2O)CC[N@@H+]1C ZINC001023972132 1072635544 /nfs/dbraw/zinc/63/55/44/1072635544.db2.gz LMELTJVRSSOHPZ-HBJVGIJOSA-N 1 0 388.428 -0.923 20 0 GBADRO COCCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C ZINC001023972209 1072635236 /nfs/dbraw/zinc/63/52/36/1072635236.db2.gz MXGXESSEHQTLKF-ODVANORSSA-N 1 0 393.488 -0.520 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncoc3-c3ccon3)C[C@H]2O)CC[N@@H+]1C ZINC001023972219 1072635269 /nfs/dbraw/zinc/63/52/69/1072635269.db2.gz NCOZWXUJPLWQMP-HBJVGIJOSA-N 1 0 389.412 -0.029 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@H]2O)CC[N@@H+]1C ZINC001023972243 1072635091 /nfs/dbraw/zinc/63/50/91/1072635091.db2.gz OHIKKJKGJGOUML-HBJVGIJOSA-N 1 0 387.444 -0.995 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023972308 1072635285 /nfs/dbraw/zinc/63/52/85/1072635285.db2.gz PIQRLCIRCPWVNV-GKLJAUDBSA-N 1 0 375.473 -0.139 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c4c(nn3C)CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023972331 1072635184 /nfs/dbraw/zinc/63/51/84/1072635184.db2.gz PWZFSTDZGPQTDZ-CZPYZCIJSA-N 1 0 375.473 -0.450 20 0 GBADRO COc1ccnc(OC)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023972406 1072635455 /nfs/dbraw/zinc/63/54/55/1072635455.db2.gz RSBCSLGHECUWIV-AAVRWANBSA-N 1 0 392.456 -0.260 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCCO4)C[C@H]2O)CC[N@@H+]1C ZINC001023972427 1072635523 /nfs/dbraw/zinc/63/55/23/1072635523.db2.gz RZGJHOWJCWFDAX-QHSBEEBCSA-N 1 0 377.445 -0.693 20 0 GBADRO Cc1nc2ccnn2cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023972443 1072635258 /nfs/dbraw/zinc/63/52/58/1072635258.db2.gz SGRDKOPQGZDQPQ-RRCSTGOVSA-N 1 0 386.456 -0.321 20 0 GBADRO COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023972445 1072635384 /nfs/dbraw/zinc/63/53/84/1072635384.db2.gz SHHRDRRDMYWOIY-FDYHWXHSSA-N 1 0 378.429 -0.563 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn(CC4CC4)nn3)C[C@H]2O)CC[N@@H+]1C ZINC001023972489 1072636229 /nfs/dbraw/zinc/63/62/29/1072636229.db2.gz SUOACQZILFMRSY-XKVFNRALSA-N 1 0 376.461 -0.670 20 0 GBADRO Cc1ccn2ncc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)c2n1 ZINC001023972491 1072636081 /nfs/dbraw/zinc/63/60/81/1072636081.db2.gz SUSVWEZQCQPAET-RRCSTGOVSA-N 1 0 386.456 -0.321 20 0 GBADRO CC(C)Oc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001023972496 1072636202 /nfs/dbraw/zinc/63/62/02/1072636202.db2.gz TTYJQOGTRTXONQ-RRCSTGOVSA-N 1 0 391.472 -0.095 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@H]2O)CC[N@@H+]1C ZINC001023972534 1072636405 /nfs/dbraw/zinc/63/64/05/1072636405.db2.gz VKDSQOAXYHKFCW-QHSBEEBCSA-N 1 0 376.461 -0.816 20 0 GBADRO CC(=O)Nc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001023972539 1072635895 /nfs/dbraw/zinc/63/58/95/1072635895.db2.gz VPYCOJCEYKSCQI-RAEVTNRLSA-N 1 0 389.456 -0.318 20 0 GBADRO CNC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023972564 1072636288 /nfs/dbraw/zinc/63/62/88/1072636288.db2.gz WOXNTJUJWMESJG-CZPYZCIJSA-N 1 0 389.456 -0.917 20 0 GBADRO CCc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001023972606 1072636001 /nfs/dbraw/zinc/63/60/01/1072636001.db2.gz 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ZINC001023977624 1072637322 /nfs/dbraw/zinc/63/73/22/1072637322.db2.gz JDSZZIFBQMLWBT-IGHBBLSQSA-N 1 0 387.444 -0.615 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)COc3cccnc3)C[C@H]2O)CC[N@@H+]1C ZINC001023977649 1072637181 /nfs/dbraw/zinc/63/71/81/1072637181.db2.gz KMEIDVDZQZNVHR-YLFCFFPRSA-N 1 0 376.457 -0.121 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023977687 1072636818 /nfs/dbraw/zinc/63/68/18/1072636818.db2.gz LRABHUITSHLHFN-ZJIFWQFVSA-N 1 0 380.489 -0.583 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@H]2O)CC[N@@H+]1C ZINC001023977729 1072638134 /nfs/dbraw/zinc/63/81/34/1072638134.db2.gz MNIPNFRIMQGELJ-UMSGYPCISA-N 1 0 378.429 -0.590 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]2O)CC[N@@H+]1C ZINC001023977767 1072638065 /nfs/dbraw/zinc/63/80/65/1072638065.db2.gz MWDKOCDQGQQQMJ-DSJMHWKBSA-N 1 0 391.472 -0.844 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nncn4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023977903 1072638288 /nfs/dbraw/zinc/63/82/88/1072638288.db2.gz OWPMFNLQLIDQLL-ZJIFWQFVSA-N 1 0 386.456 -0.239 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023978533 1072638202 /nfs/dbraw/zinc/63/82/02/1072638202.db2.gz AARNNDUGODYXQC-LCGIIJARSA-N 1 0 375.473 -0.070 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023978538 1072638056 /nfs/dbraw/zinc/63/80/56/1072638056.db2.gz AHXDMHJLFIDLKG-GBJTYRQASA-N 1 0 387.444 -0.844 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c(C)nn(C)c3F)C[C@H]2O)CC[N@@H+]1C ZINC001023978543 1072638172 /nfs/dbraw/zinc/63/81/72/1072638172.db2.gz APIONXRDNMCQCM-REWJHTLYSA-N 1 0 381.452 -0.101 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023978546 1072637867 /nfs/dbraw/zinc/63/78/67/1072637867.db2.gz ARCUSFZMIOBFQP-DPAVQSFQSA-N 1 0 376.457 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CNQJSIMMSLWMBS-LCGIIJARSA-N 1 0 390.488 -0.426 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4c3CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023978628 1072638124 /nfs/dbraw/zinc/63/81/24/1072638124.db2.gz DIOPGPNNQGJEJM-DPAVQSFQSA-N 1 0 375.473 -0.139 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4ccncc34)C[C@H]2O)CC[N@@H+]1C ZINC001023978634 1072637954 /nfs/dbraw/zinc/63/79/54/1072637954.db2.gz DOEGGIWDBQYGOU-DPAVQSFQSA-N 1 0 386.456 -0.239 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3cncnc3)C[C@H]2O)CC[N@@H+]1C ZINC001023978639 1072638042 /nfs/dbraw/zinc/63/80/42/1072638042.db2.gz DOMJAZJETHSDIK-YLFCFFPRSA-N 1 0 375.473 -0.173 20 0 GBADRO CCOc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cn1 ZINC001023978643 1072638105 /nfs/dbraw/zinc/63/81/05/1072638105.db2.gz DQYCPRZAUZPUPV-LCGIIJARSA-N 1 0 391.472 -0.093 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4cccnc34)C[C@H]2O)CC[N@@H+]1C ZINC001023978645 1072638310 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ZINC001023978757 1072638148 /nfs/dbraw/zinc/63/81/48/1072638148.db2.gz GULNBOKFTIVMOA-YLFCFFPRSA-N 1 0 377.489 -0.229 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccnc(OC)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023978758 1072638212 /nfs/dbraw/zinc/63/82/12/1072638212.db2.gz GVYQMYJTYFUEFD-ZGKBOVNRSA-N 1 0 377.445 -0.483 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023978761 1072638260 /nfs/dbraw/zinc/63/82/60/1072638260.db2.gz GYULJKXJARKLIQ-ADSMDIBLSA-N 1 0 392.456 -0.585 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023978762 1072638180 /nfs/dbraw/zinc/63/81/80/1072638180.db2.gz GZOZCBQAEKUJGO-SJXGUFTOSA-N 1 0 391.472 -0.555 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@H]2O)CC[N@@H+]1C ZINC001023978767 1072638335 /nfs/dbraw/zinc/63/83/35/1072638335.db2.gz HEMBBCYHIGGRFR-ZGKBOVNRSA-N 1 0 377.445 -0.693 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023978775 1072638239 /nfs/dbraw/zinc/63/82/39/1072638239.db2.gz HPDRUFOOVFMVKW-ZJIFWQFVSA-N 1 0 391.472 -0.948 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2O)CC[N@@H+]1C ZINC001023978776 1072638090 /nfs/dbraw/zinc/63/80/90/1072638090.db2.gz HPOSJIMTLIFBFG-ZGKBOVNRSA-N 1 0 387.444 -0.844 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccc(C)c3=O)C[C@H]2O)CC[N@@H+]1C ZINC001023978787 1072637898 /nfs/dbraw/zinc/63/78/98/1072637898.db2.gz IDJXOVMDMFJFAN-YLFCFFPRSA-N 1 0 390.484 -0.425 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(OC)ncn3)C[C@H]2O)CC[N@@H+]1C ZINC001023978790 1072637962 /nfs/dbraw/zinc/63/79/62/1072637962.db2.gz IGENAROAWBXIIY-ZGKBOVNRSA-N 1 0 377.445 -0.483 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(OC)nc3)C[C@H]2O)CC[N@@H+]1C ZINC001023978793 1072638158 /nfs/dbraw/zinc/63/81/58/1072638158.db2.gz IMCMCDMBGSLYGK-GBJTYRQASA-N 1 0 377.445 -0.483 20 0 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389.456 -0.788 20 0 GBADRO CCc1c[nH]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001023978942 1072637361 /nfs/dbraw/zinc/63/73/61/1072637361.db2.gz LJBKOCOSNMRMNE-ZJIFWQFVSA-N 1 0 377.489 -0.067 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(=O)c(OC)co3)C[C@H]2O)CC[N@@H+]1C ZINC001023978946 1072638276 /nfs/dbraw/zinc/63/82/76/1072638276.db2.gz LMWJVASVFRAKOZ-KYEXWDHISA-N 1 0 393.440 -0.320 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2O)CC[N@@H+]1C ZINC001023978948 1072638948 /nfs/dbraw/zinc/63/89/48/1072638948.db2.gz LOOVTZHYDVEOOT-REWJHTLYSA-N 1 0 387.444 -0.844 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2O)CC[N@@H+]1C ZINC001023978975 1072638907 /nfs/dbraw/zinc/63/89/07/1072638907.db2.gz NIJVZALZOGEOSI-ZGKBOVNRSA-N 1 0 377.445 -0.855 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nccn4ccnc34)C[C@H]2O)CC[N@@H+]1C ZINC001023978982 1072638883 /nfs/dbraw/zinc/63/88/83/1072638883.db2.gz 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CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023979182 1072639145 /nfs/dbraw/zinc/63/91/45/1072639145.db2.gz RXAZUSHDLQBJEL-LCGIIJARSA-N 1 0 391.472 -0.705 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn4c(n3)CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023979186 1072639167 /nfs/dbraw/zinc/63/91/67/1072639167.db2.gz SBBPYZHIOKZDCQ-SJXGUFTOSA-N 1 0 375.473 -0.139 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn(C)nc3OC)C[C@H]2O)CC[N@@H+]1C ZINC001023979216 1072639123 /nfs/dbraw/zinc/63/91/23/1072639123.db2.gz UDOLWAVWLLIRDQ-ZGKBOVNRSA-N 1 0 379.461 -0.540 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn(CC)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023979219 1072639036 /nfs/dbraw/zinc/63/90/36/1072639036.db2.gz UGXCQSLGDJJZNK-YLFCFFPRSA-N 1 0 377.489 -0.136 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023979220 1072639136 /nfs/dbraw/zinc/63/91/36/1072639136.db2.gz UHBLXBASDBTBOA-GBJTYRQASA-N 1 0 387.444 -0.844 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377.445 -0.478 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnc(C)nc3OC)C[C@H]2O)CC[N@@H+]1C ZINC001023979350 1072639116 /nfs/dbraw/zinc/63/91/16/1072639116.db2.gz VTLLQPWQYNSEKI-LCGIIJARSA-N 1 0 391.472 -0.175 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023979352 1072639100 /nfs/dbraw/zinc/63/91/00/1072639100.db2.gz VUVLRDCGETZQNA-ZGKBOVNRSA-N 1 0 387.444 -0.615 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnn4ncccc34)C[C@H]2O)CC[N@@H+]1C ZINC001023979354 1072639212 /nfs/dbraw/zinc/63/92/12/1072639212.db2.gz VVCDWLDCMRRSDA-DPAVQSFQSA-N 1 0 386.456 -0.239 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3cnccn3)C[C@H]2O)CC[N@@H+]1C ZINC001023979363 1072639753 /nfs/dbraw/zinc/63/97/53/1072639753.db2.gz WHKJKGVXPGOMPC-YLFCFFPRSA-N 1 0 375.473 -0.173 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]2O)CC[N@@H+]1C ZINC001023979367 1072640002 /nfs/dbraw/zinc/64/00/02/1072640002.db2.gz 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RSULECAUYUXFIP-XKVFNRALSA-N 1 0 389.456 -0.636 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(N(C)C)nn3)C2)CC[N@@H+]1C ZINC001024800665 1072892038 /nfs/dbraw/zinc/89/20/38/1072892038.db2.gz IDJOEKCLHSHMGA-LCGIIJARSA-N 1 0 390.488 -0.426 20 0 GBADRO Cc1ccn2ncc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3O)c2n1 ZINC001024800818 1072892210 /nfs/dbraw/zinc/89/22/10/1072892210.db2.gz LOMLKUJDVDHLPY-RRCSTGOVSA-N 1 0 386.456 -0.321 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(N(C)C)nn3)C2)CC[N@@H+]1C ZINC001024801526 1072892153 /nfs/dbraw/zinc/89/21/53/1072892153.db2.gz XGGJKLXEKRQSHW-QHSBEEBCSA-N 1 0 376.461 -0.816 20 0 GBADRO CNC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)cn1 ZINC001024801536 1072892274 /nfs/dbraw/zinc/89/22/74/1072892274.db2.gz XILGEAHXTQXVHX-UIBBOPPKSA-N 1 0 389.456 -0.917 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3occ4c3CCOC4)C2)CC[N@@H+]1C ZINC001024815890 1072893851 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CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)o3)C2)CC[N@@H+]1C ZINC001024875030 1072902659 /nfs/dbraw/zinc/90/26/59/1072902659.db2.gz IRJLOZVTPMQODX-UMSGYPCISA-N 1 0 378.429 -0.590 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc(OC)cn3)C2)CC[N@@H+]1C ZINC001024883534 1072907231 /nfs/dbraw/zinc/90/72/31/1072907231.db2.gz SHNGQPSSGIUEFW-GBJTYRQASA-N 1 0 377.445 -0.483 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(OC)n(C)n3)C2)CC[N@@H+]1C ZINC001024883907 1072906840 /nfs/dbraw/zinc/90/68/40/1072906840.db2.gz FHZCPTGNNBATLL-ZGKBOVNRSA-N 1 0 379.461 -0.540 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn(CCOC)n3)C2)CC[N@@H+]1C ZINC001024887928 1072908076 /nfs/dbraw/zinc/90/80/76/1072908076.db2.gz YGTNPWJOPRGMHW-RKTXRCNFSA-N 1 0 393.488 -0.439 20 0 GBADRO COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)n1 ZINC001024887941 1072908218 /nfs/dbraw/zinc/90/82/18/1072908218.db2.gz YYLAEDBIBYJEFC-RRCSTGOVSA-N 1 0 379.461 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/nfs/dbraw/zinc/91/95/11/1072919511.db2.gz IYVVSZTVIMYBST-OKAVUVSYSA-N 1 0 377.485 -0.170 20 0 GBADRO O=C(N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024915096 1072919170 /nfs/dbraw/zinc/91/91/70/1072919170.db2.gz WAIHBGWVZVXULF-KEOCIWJQSA-N 1 0 375.469 -0.274 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001024915347 1072919179 /nfs/dbraw/zinc/91/91/79/1072919179.db2.gz MMUFEQFOIQDHGF-OKAVUVSYSA-N 1 0 393.484 -0.792 20 0 GBADRO C[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001024915775 1072921687 /nfs/dbraw/zinc/92/16/87/1072921687.db2.gz CEETXTFWPCUKLM-OKAVUVSYSA-N 1 0 377.485 -0.170 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001024916095 1072920115 /nfs/dbraw/zinc/92/01/15/1072920115.db2.gz SMDXSXNBXROGBH-HKXJQTKSSA-N 1 0 377.485 -0.170 20 0 GBADRO O=C(CC[NH+]1CCCCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024917258 1072921128 /nfs/dbraw/zinc/92/11/28/1072921128.db2.gz NEMVTTFHFPCNFQ-OKAVUVSYSA-N 1 0 377.485 -0.026 20 0 GBADRO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[NH+]1CCCC1 ZINC001024918452 1072922519 /nfs/dbraw/zinc/92/25/19/1072922519.db2.gz DYVXCKUKSOOFJT-KEOCIWJQSA-N 1 0 377.485 -0.028 20 0 GBADRO O=C(N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001024918550 1072922444 /nfs/dbraw/zinc/92/24/44/1072922444.db2.gz HJSFGWUCGARWNR-CTISPVFFSA-N 1 0 389.496 -0.026 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccn(C)c3=O)C2)CC[N@@H+]1C ZINC001024921276 1072923317 /nfs/dbraw/zinc/92/33/17/1072923317.db2.gz CIAASQJZQSBWFD-LCGIIJARSA-N 1 0 376.457 -0.583 20 0 GBADRO COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1O ZINC001024947532 1072930304 /nfs/dbraw/zinc/93/03/04/1072930304.db2.gz HJFILKNQOCSCIE-RGCMKSIDSA-N 1 0 378.429 -0.889 20 0 GBADRO COc1ccsc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1O ZINC001024947927 1072930049 /nfs/dbraw/zinc/93/00/49/1072930049.db2.gz MDDYVALLKGYMQJ-HKUMRIAESA-N 1 0 383.470 -0.223 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncoc3-c3ccon3)C2)CC[N@@H+]1C ZINC001024948138 1072930104 /nfs/dbraw/zinc/93/01/04/1072930104.db2.gz OCIQETUZHOFMES-HBJVGIJOSA-N 1 0 389.412 -0.029 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001024952925 1072931314 /nfs/dbraw/zinc/93/13/14/1072931314.db2.gz OUFXINKBDRBUDC-NLRBGTRBSA-N 1 0 383.412 -0.499 20 0 GBADRO Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O ZINC001024957191 1072931193 /nfs/dbraw/zinc/93/11/93/1072931193.db2.gz RIIFQVYEAXSHFT-AIOUOQGWSA-N 1 0 378.429 -1.000 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)c3OC)C2)CC[N@@H+]1C ZINC001024965737 1072932869 /nfs/dbraw/zinc/93/28/69/1072932869.db2.gz SEHMUZMULGKZNX-ZGKBOVNRSA-N 1 0 379.461 -0.540 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nnn(C)c4c3)C2)CC[N@@H+]1C ZINC001024966047 1072934383 /nfs/dbraw/zinc/93/43/83/1072934383.db2.gz FHNUOGVDZUXEAI-WBMRYOJMSA-N 1 0 386.456 -0.390 20 0 GBADRO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)c1C ZINC001024977832 1072935898 /nfs/dbraw/zinc/93/58/98/1072935898.db2.gz BFNKHHGYDPDVDE-AAVRWANBSA-N 1 0 377.445 -0.559 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(C)c(C)n[nH]c3=O)C2)CC[N@@H+]1C ZINC001024978579 1072936116 /nfs/dbraw/zinc/93/61/16/1072936116.db2.gz ZFCADNUVEMVAQG-GBJTYRQASA-N 1 0 391.472 -0.169 20 0 GBADRO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)c1C ZINC001024979997 1072936929 /nfs/dbraw/zinc/93/69/29/1072936929.db2.gz UXJDKGSQMBDFLK-KBUPBQIOSA-N 1 0 391.472 -0.961 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn4cccnc34)C2)CC[N@@H+]1C ZINC001024983040 1072936749 /nfs/dbraw/zinc/93/67/49/1072936749.db2.gz FVCXMFBSWHKKSV-LCGIIJARSA-N 1 0 386.456 -0.239 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC001024988422 1072938735 /nfs/dbraw/zinc/93/87/35/1072938735.db2.gz GHFFCOOOJUMTFV-ODVANORSSA-N 1 0 388.468 -0.644 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc4c(c3)ncn4C)C2)CC[N@@H+]1C ZINC001024996061 1072940481 /nfs/dbraw/zinc/94/04/81/1072940481.db2.gz SDYLIIOBWUJULY-UIBBOPPKSA-N 1 0 386.456 -0.390 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4nnnc4c3)C2)CC[N@@H+]1C ZINC001024997706 1072941090 /nfs/dbraw/zinc/94/10/90/1072941090.db2.gz WGAAUBNGQAAYHT-GBJTYRQASA-N 1 0 387.444 -0.844 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O)[NH+]1CCCC1 ZINC001024999126 1072942173 /nfs/dbraw/zinc/94/21/73/1072942173.db2.gz LHAGGSQZJPZDCD-FIDHJVLJSA-N 1 0 395.500 -0.400 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nc3OC)C2)CC[N@@H+]1C ZINC001024999369 1072941867 /nfs/dbraw/zinc/94/18/67/1072941867.db2.gz QILOKZUPORFFGN-ZGKBOVNRSA-N 1 0 379.461 -0.540 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O)[NH+]1CCCC1 ZINC001024999596 1072941508 /nfs/dbraw/zinc/94/15/08/1072941508.db2.gz WDDDJDKATGFVDB-KEOCIWJQSA-N 1 0 377.485 -0.028 20 0 GBADRO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001025000168 1072942074 /nfs/dbraw/zinc/94/20/74/1072942074.db2.gz BSVOCOSMBRPVDI-KBUPBQIOSA-N 1 0 380.489 -0.537 20 0 GBADRO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC001025001454 1072941986 /nfs/dbraw/zinc/94/19/86/1072941986.db2.gz QEPHOOBTMGHZKW-KLHDSHLOSA-N 1 0 382.505 -0.732 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001874 1072942416 /nfs/dbraw/zinc/94/24/16/1072942416.db2.gz VBDAYGYRAHXKMS-LXTVHRRPSA-N 1 0 380.489 -0.727 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1O)[NH+]1CCCC1 ZINC001025001889 1072943103 /nfs/dbraw/zinc/94/31/03/1072943103.db2.gz VHXLKPFNRVHWDW-LXTVHRRPSA-N 1 0 380.489 -0.550 20 0 GBADRO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001025027026 1072947261 /nfs/dbraw/zinc/94/72/61/1072947261.db2.gz DHOXGGSPPKQXIN-KNCOVGOOSA-N 1 0 379.461 -0.369 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001025037615 1072952050 /nfs/dbraw/zinc/95/20/50/1072952050.db2.gz DWMBBKUKPVPAHA-NVQRDWNXSA-N 1 0 375.473 -0.064 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3CCC4)C2)cn1 ZINC001025038893 1072952410 /nfs/dbraw/zinc/95/24/10/1072952410.db2.gz WPTUYXCLJHMITA-YKTARERQSA-N 1 0 375.473 -0.064 20 0 GBADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1O ZINC001025047226 1072958430 /nfs/dbraw/zinc/95/84/30/1072958430.db2.gz VGESTAGDPZBINK-VQHPVUNQSA-N 1 0 383.489 -0.400 20 0 GBADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1O ZINC001025047699 1072959909 /nfs/dbraw/zinc/95/99/09/1072959909.db2.gz CEVIKJMFZGUXMW-VQHPVUNQSA-N 1 0 393.488 -0.439 20 0 GBADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1O ZINC001025047745 1072959694 /nfs/dbraw/zinc/95/96/94/1072959694.db2.gz DVGJBVLYDDTDRB-DZUCGIPZSA-N 1 0 393.488 -0.439 20 0 GBADRO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]2O)n(C)n1 ZINC001025050295 1072961903 /nfs/dbraw/zinc/96/19/03/1072961903.db2.gz CFLHAPOLIURELI-MUIFIZLQSA-N 1 0 386.456 -0.260 20 0 GBADRO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2O)n(C)n1 ZINC001025051216 1072961440 /nfs/dbraw/zinc/96/14/40/1072961440.db2.gz UPCPUHVOOZRTHB-BSDSXHPESA-N 1 0 391.516 -0.057 20 0 GBADRO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)n(C)n1 ZINC001025051225 1072961751 /nfs/dbraw/zinc/96/17/51/1072961751.db2.gz UVWFDDKMWQJKTM-BASLNEPJSA-N 1 0 377.489 -0.447 20 0 GBADRO Cc1nc2c(nccc2C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)[nH]1 ZINC001025051466 1072962570 /nfs/dbraw/zinc/96/25/70/1072962570.db2.gz BWUZBFFRCTVBDP-PZTHBURQSA-N 1 0 386.456 -0.092 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cn(CC)nn3)C2)CC[N@@H+]1C ZINC001025058414 1072966320 /nfs/dbraw/zinc/96/63/20/1072966320.db2.gz ZPMFSUIYVVIKOA-ZJIFWQFVSA-N 1 0 378.477 -0.741 20 0 GBADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001025059230 1072967133 /nfs/dbraw/zinc/96/71/33/1072967133.db2.gz KTNCFVGWPVRHMY-KCYZZUKISA-N 1 0 387.484 -0.160 20 0 GBADRO Cn1ccnc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001025059488 1072966010 /nfs/dbraw/zinc/96/60/10/1072966010.db2.gz RFUBYPCRGPTAAD-IXYNUQLISA-N 1 0 386.456 -0.422 20 0 GBADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001025060197 1072967956 /nfs/dbraw/zinc/96/79/56/1072967956.db2.gz FZZLOIKKFZDXHR-YFHUEUNASA-N 1 0 389.500 -0.057 20 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ZINC001025694333 1073168347 /nfs/dbraw/zinc/16/83/47/1073168347.db2.gz UGLYECWQXKEYBT-LXTVHRRPSA-N 1 0 380.489 -0.550 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001025694404 1073168364 /nfs/dbraw/zinc/16/83/64/1073168364.db2.gz XWBPCOVGXDRFPY-QKPAOTATSA-N 1 0 380.489 -0.692 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001025695459 1073168967 /nfs/dbraw/zinc/16/89/67/1073168967.db2.gz CDZIAXQVJRLVGT-ZJIFWQFVSA-N 1 0 380.489 -0.725 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)C1 ZINC001025695496 1073168994 /nfs/dbraw/zinc/16/89/94/1073168994.db2.gz DEFQRXNYJQLYPV-NOXHYTERSA-N 1 0 385.424 -0.463 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1O ZINC001025695713 1073170090 /nfs/dbraw/zinc/17/00/90/1073170090.db2.gz JGZZDAOHOYZVSY-ZJIFWQFVSA-N 1 0 385.424 -0.640 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001025695744 1073169984 /nfs/dbraw/zinc/16/99/84/1073169984.db2.gz IRDCWCCZMWXYNU-GBJTYRQASA-N 1 0 380.489 -0.727 20 0 GBADRO C[NH+](C)CCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001025695792 1073170124 /nfs/dbraw/zinc/17/01/24/1073170124.db2.gz KXPDGDNZQNNDBQ-YYIAUSFCSA-N 1 0 388.468 -0.786 20 0 GBADRO CC1(C)CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC001025695965 1073170727 /nfs/dbraw/zinc/17/07/27/1073170727.db2.gz NEIFXTRVHQXHDF-LXTVHRRPSA-N 1 0 380.489 -0.692 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O ZINC001025696081 1073171199 /nfs/dbraw/zinc/17/11/99/1073171199.db2.gz UKSMNACJPOXOQZ-ZJIFWQFVSA-N 1 0 392.500 -0.725 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)C1 ZINC001025696185 1073171255 /nfs/dbraw/zinc/17/12/55/1073171255.db2.gz SPIVXJIEAHVIHO-QKPAOTATSA-N 1 0 380.489 -0.548 20 0 GBADRO C[NH+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001025696424 1073171851 /nfs/dbraw/zinc/17/18/51/1073171851.db2.gz VIANXNOXJVBAJP-QKPAOTATSA-N 1 0 380.489 -0.692 20 0 GBADRO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001025697489 1073173232 /nfs/dbraw/zinc/17/32/32/1073173232.db2.gz ROVPBVMEPVBGGS-LXTVHRRPSA-N 1 0 380.489 -0.551 20 0 GBADRO C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001025697547 1073173722 /nfs/dbraw/zinc/17/37/22/1073173722.db2.gz UMNFBHAGAQSGRS-YYIAUSFCSA-N 1 0 388.468 -0.786 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001025697633 1073173567 /nfs/dbraw/zinc/17/35/67/1073173567.db2.gz KAVQMGLUXRHHNB-GBJTYRQASA-N 1 0 380.489 -0.870 20 0 GBADRO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)o1 ZINC001025697941 1073174679 /nfs/dbraw/zinc/17/46/79/1073174679.db2.gz VBTDGVHGYMQZAS-LXTVHRRPSA-N 1 0 392.456 -0.456 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001025697961 1073174658 /nfs/dbraw/zinc/17/46/58/1073174658.db2.gz VUAMKPXGQQXFGF-ZJIFWQFVSA-N 1 0 380.489 -0.870 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)CC[N@@H+]1C ZINC001025698670 1073175253 /nfs/dbraw/zinc/17/52/53/1073175253.db2.gz ZLHVDXGZZJBCTA-CJYSPXJISA-N 1 0 377.445 -0.855 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nnc4c3CCCC4)C2)CC[N@@H+]1C ZINC001025699300 1073175133 /nfs/dbraw/zinc/17/51/33/1073175133.db2.gz SFUOANFITOTCBD-GKLJAUDBSA-N 1 0 390.488 -0.815 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(=O)cc3OC)C2)CC[N@@H+]1C ZINC001025704234 1073176247 /nfs/dbraw/zinc/17/62/47/1073176247.db2.gz BEUCVPPRMXGSPF-ZGKBOVNRSA-N 1 0 392.456 -0.172 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1O ZINC001025704452 1073176177 /nfs/dbraw/zinc/17/61/77/1073176177.db2.gz IJNHXOSOGGTQCW-YYQUZTFQSA-N 1 0 385.424 -0.006 20 0 GBADRO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001025704682 1073176327 /nfs/dbraw/zinc/17/63/27/1073176327.db2.gz SIUSOMIYAXFUCF-HBJVGIJOSA-N 1 0 378.429 -0.563 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1O ZINC001025707010 1073176708 /nfs/dbraw/zinc/17/67/08/1073176708.db2.gz DUDUQBIKYSWTSQ-MIGQKNRLSA-N 1 0 379.461 -0.829 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1O ZINC001025707570 1073177401 /nfs/dbraw/zinc/17/74/01/1073177401.db2.gz XCOHBCZZYXKHGV-MIGQKNRLSA-N 1 0 379.461 -0.829 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001025708094 1073177974 /nfs/dbraw/zinc/17/79/74/1073177974.db2.gz DWFPGBGUTCPZLL-KCYZZUKISA-N 1 0 387.484 -0.160 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1O ZINC001025708288 1073177852 /nfs/dbraw/zinc/17/78/52/1073177852.db2.gz JRKJQSSMNHTCLG-FPCVCCKLSA-N 1 0 383.489 -0.542 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001025709233 1073178488 /nfs/dbraw/zinc/17/84/88/1073178488.db2.gz CXDSMOKXBGOMGG-IXYNUQLISA-N 1 0 375.473 -0.304 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001025709258 1073178803 /nfs/dbraw/zinc/17/88/03/1073178803.db2.gz HQPYMYDLODHNLU-KCYZZUKISA-N 1 0 375.473 -0.304 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001025709680 1073179276 /nfs/dbraw/zinc/17/92/76/1073179276.db2.gz VJAHKOLYUYEONR-KCYZZUKISA-N 1 0 375.473 -0.447 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC1 ZINC001025709860 1073179281 /nfs/dbraw/zinc/17/92/81/1073179281.db2.gz OMELKRYVGBRESE-YFHUEUNASA-N 1 0 389.500 -0.057 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001025710066 1073180113 /nfs/dbraw/zinc/18/01/13/1073180113.db2.gz WHWFCRKLUDIOHP-KCYZZUKISA-N 1 0 389.500 -0.057 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001025710136 1073180285 /nfs/dbraw/zinc/18/02/85/1073180285.db2.gz ZGDJWWYKFVUMPU-YFHUEUNASA-N 1 0 389.500 -0.057 20 0 GBADRO Cc1ccnc2nc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3O)nn21 ZINC001025714584 1073181767 /nfs/dbraw/zinc/18/17/67/1073181767.db2.gz UMEUCCSLVLPVMH-AAVRWANBSA-N 1 0 387.444 -0.926 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)CC[N@@H+]1C ZINC001025718844 1073180907 /nfs/dbraw/zinc/18/09/07/1073180907.db2.gz KFXNTRVXQKMIHW-RAEVTNRLSA-N 1 0 389.456 -0.181 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCCCC3=O)C2)CC[N@@H+]1C ZINC001025735218 1073183214 /nfs/dbraw/zinc/18/32/14/1073183214.db2.gz NYZYRWHRTHYOKT-KLHDSHLOSA-N 1 0 380.489 -0.583 20 0 GBADRO O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001025742540 1073184393 /nfs/dbraw/zinc/18/43/93/1073184393.db2.gz GHCLHEGXBBJRHM-XLSPSMHOSA-N 1 0 377.485 -0.167 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnn(CC)c3)C2)CC[N@@H+]1C ZINC001025747730 1073185850 /nfs/dbraw/zinc/18/58/50/1073185850.db2.gz ZKDVSCOTBBHMIZ-YLFCFFPRSA-N 1 0 377.489 -0.136 20 0 GBADRO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)c(C)nn1C ZINC001025748470 1073185665 /nfs/dbraw/zinc/18/56/65/1073185665.db2.gz GDNAOBZXPHVEQZ-AAVRWANBSA-N 1 0 379.461 -0.621 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(C)nn(C)c3OC)C2)CC[N@@H+]1C ZINC001025749231 1073185871 /nfs/dbraw/zinc/18/58/71/1073185871.db2.gz MXZKQTUVZDPCDA-GBJTYRQASA-N 1 0 393.488 -0.231 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccnc(N(C)C)c3)C2)CC[N@@H+]1C ZINC001025751004 1073184901 /nfs/dbraw/zinc/18/49/01/1073184901.db2.gz GEMIPXQECAGAJS-DTZQCDIJSA-N 1 0 375.473 -0.211 20 0 GBADRO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)ncc1C(N)=O ZINC001025755428 1073189692 /nfs/dbraw/zinc/18/96/92/1073189692.db2.gz IPSDULSDZKSKJD-CZPYZCIJSA-N 1 0 389.456 -0.869 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2O)O1 ZINC001025759441 1073187136 /nfs/dbraw/zinc/18/71/36/1073187136.db2.gz DPZOZKCMYRCSDQ-KLHDSHLOSA-N 1 0 383.489 -0.400 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2O)O1 ZINC001025760105 1073187756 /nfs/dbraw/zinc/18/77/56/1073187756.db2.gz GILZBPIGMXFMPT-DTZQCDIJSA-N 1 0 379.461 -0.686 20 0 GBADRO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2O)O1 ZINC001025760527 1073187879 /nfs/dbraw/zinc/18/78/79/1073187879.db2.gz XNSXONMUDKUTQV-DTZQCDIJSA-N 1 0 379.461 -0.686 20 0 GBADRO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001025761158 1073188545 /nfs/dbraw/zinc/18/85/45/1073188545.db2.gz BYHBQYKHFQLUGH-HSMRXVHUSA-N 1 0 391.472 -0.686 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cn1 ZINC001025761374 1073188583 /nfs/dbraw/zinc/18/85/83/1073188583.db2.gz IBSYVICDOWUPLD-HHARLNAUSA-N 1 0 391.472 -0.686 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001025762403 1073189121 /nfs/dbraw/zinc/18/91/21/1073189121.db2.gz PMQJFQHLAVOEQC-HHARLNAUSA-N 1 0 381.473 -0.647 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nn(C)c4c3CCCC4)C2)CC[N@@H+]1C ZINC001025763346 1073188032 /nfs/dbraw/zinc/18/80/32/1073188032.db2.gz ASKHBDCGNQLEGE-GKLJAUDBSA-N 1 0 389.500 -0.059 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001025763421 1073190541 /nfs/dbraw/zinc/19/05/41/1073190541.db2.gz FBMSGTJMWSKSEF-YALNPMBYSA-N 1 0 384.440 -0.548 20 0 GBADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001025763477 1073190282 /nfs/dbraw/zinc/19/02/82/1073190282.db2.gz JBIDAARWOXVVIR-HHARLNAUSA-N 1 0 395.500 -0.400 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001025763482 1073190412 /nfs/dbraw/zinc/19/04/12/1073190412.db2.gz JLVXEVAAWPEVAI-QKPAOTATSA-N 1 0 384.440 -0.548 20 0 GBADRO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001025763581 1073190330 /nfs/dbraw/zinc/19/03/30/1073190330.db2.gz MZCNIMFFRVIHKQ-YALNPMBYSA-N 1 0 385.424 -0.284 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)cn1 ZINC001025763901 1073190570 /nfs/dbraw/zinc/19/05/70/1073190570.db2.gz KBRZRKMXVXWQEN-YLFCFFPRSA-N 1 0 387.484 -0.160 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)cn1 ZINC001025764820 1073191142 /nfs/dbraw/zinc/19/11/42/1073191142.db2.gz FDBLRRJRJXASBX-YLFCFFPRSA-N 1 0 375.473 -0.304 20 0 GBADRO CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001025765963 1073191939 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390.484 -0.008 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104671994 1073059674 /nfs/dbraw/zinc/05/96/74/1073059674.db2.gz DSMQSTLVDHSKTN-LVQVYYBASA-N 1 0 380.489 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001104672230 1073059641 /nfs/dbraw/zinc/05/96/41/1073059641.db2.gz GAXRVRABZZTASA-RJZRQDKASA-N 1 0 391.476 -0.385 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104672280 1073059758 /nfs/dbraw/zinc/05/97/58/1073059758.db2.gz GRLSSOLQDXUSHD-APIJFGDWSA-N 1 0 381.477 -0.881 20 0 GBADRO CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104672336 1073059374 /nfs/dbraw/zinc/05/93/74/1073059374.db2.gz HMGSBNIGMXOJDX-APIJFGDWSA-N 1 0 393.492 -0.139 20 0 GBADRO CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104672360 1073059254 /nfs/dbraw/zinc/05/92/54/1073059254.db2.gz IYIAAKKUGBFBEC-APIJFGDWSA-N 1 0 378.477 -0.095 20 0 GBADRO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C ZINC001104672369 1073059738 /nfs/dbraw/zinc/05/97/38/1073059738.db2.gz JIMINEWARSTGOO-LVQVYYBASA-N 1 0 382.505 -0.168 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CC[NH2+]CCOCCO ZINC001104672407 1073059580 /nfs/dbraw/zinc/05/95/80/1073059580.db2.gz LLVSGNDXXWLPKI-WCXIOVBPSA-N 1 0 385.505 -0.295 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104672617 1073059243 /nfs/dbraw/zinc/05/92/43/1073059243.db2.gz MEFZWLOHCZBRSB-YIYPIFLZSA-N 1 0 375.491 -0.862 20 0 GBADRO CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104672685 1073059347 /nfs/dbraw/zinc/05/93/47/1073059347.db2.gz NOHVLLKMPZLHTK-LUYZLQTOSA-N 1 0 378.477 -0.095 20 0 GBADRO CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1C ZINC001104672693 1073059623 /nfs/dbraw/zinc/05/96/23/1073059623.db2.gz NQVVRCRKEUVYGU-APIJFGDWSA-N 1 0 392.504 -0.015 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104672694 1073059431 /nfs/dbraw/zinc/05/94/31/1073059431.db2.gz NSNUHUCJUYJRAS-LUYZLQTOSA-N 1 0 380.489 -0.286 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104672740 1073059273 /nfs/dbraw/zinc/05/92/73/1073059273.db2.gz ONGVKYONNSIOFI-LVQVYYBASA-N 1 0 382.505 -0.215 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104673072 1073059751 /nfs/dbraw/zinc/05/97/51/1073059751.db2.gz RMMPADASBYNCPC-DMRZNYOFSA-N 1 0 380.489 -0.380 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104673164 1073059391 /nfs/dbraw/zinc/05/93/91/1073059391.db2.gz UCURFTLFTOFGNV-WCXIOVBPSA-N 1 0 392.504 -0.012 20 0 GBADRO CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1 ZINC001104673290 1073059395 /nfs/dbraw/zinc/05/93/95/1073059395.db2.gz VQVMGTCOQCFALC-LUYZLQTOSA-N 1 0 378.477 -0.095 20 0 GBADRO CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673414 1073059448 /nfs/dbraw/zinc/05/94/48/1073059448.db2.gz XHXYHIOZLUVXEA-LVQVYYBASA-N 1 0 382.505 -0.040 20 0 GBADRO CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673488 1073059408 /nfs/dbraw/zinc/05/94/08/1073059408.db2.gz YXWFEJSQICEMSR-LVQVYYBASA-N 1 0 382.505 -0.038 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104673544 1073059402 /nfs/dbraw/zinc/05/94/02/1073059402.db2.gz ASXOLSWBONTXFG-APIJFGDWSA-N 1 0 393.492 -0.580 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104673806 1073059305 /nfs/dbraw/zinc/05/93/05/1073059305.db2.gz FOMKXTSACOFKDA-APIJFGDWSA-N 1 0 389.518 -0.472 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001104674431 1073060125 /nfs/dbraw/zinc/06/01/25/1073060125.db2.gz MHLBYYLZDGTWDC-YIYPIFLZSA-N 1 0 393.444 -0.280 20 0 GBADRO CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104674432 1073060399 /nfs/dbraw/zinc/06/03/99/1073060399.db2.gz MHRNAVOIBKYAGM-LVQVYYBASA-N 1 0 382.505 -0.134 20 0 GBADRO CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nn1 ZINC001104674446 1073060405 /nfs/dbraw/zinc/06/04/05/1073060405.db2.gz MXDBIPOIGTXTCH-LUYZLQTOSA-N 1 0 378.477 -0.095 20 0 GBADRO CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104674479 1073060601 /nfs/dbraw/zinc/06/06/01/1073060601.db2.gz OEHVKEXSNZLENJ-APIJFGDWSA-N 1 0 393.492 -0.310 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104674602 1073060188 /nfs/dbraw/zinc/06/01/88/1073060188.db2.gz SHVQEYLLGBIDEZ-DMRZNYOFSA-N 1 0 380.489 -0.380 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104674607 1073060466 /nfs/dbraw/zinc/06/04/66/1073060466.db2.gz SNJZJRQZUQTMGB-LVQVYYBASA-N 1 0 380.489 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104675500 1073060483 /nfs/dbraw/zinc/06/04/83/1073060483.db2.gz VUOXBAJWOWYYBM-FPCVCCKLSA-N 1 0 380.489 -0.284 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001104683842 1073067292 /nfs/dbraw/zinc/06/72/92/1073067292.db2.gz QDJBSPKHGGAEPR-SYQHCUMBSA-N 1 0 393.488 -0.488 20 0 GBADRO Cc1cc(NC(=O)C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)n(C)n1 ZINC001104683940 1073067013 /nfs/dbraw/zinc/06/70/13/1073067013.db2.gz VVPIXCSPOYODKV-NGFQHRJXSA-N 1 0 390.488 -0.137 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C ZINC001104685160 1073065860 /nfs/dbraw/zinc/06/58/60/1073065860.db2.gz AJIVIXJGTLCRRA-YIYPIFLZSA-N 1 0 381.477 -0.582 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104685317 1073065685 /nfs/dbraw/zinc/06/56/85/1073065685.db2.gz FPYBULOXLLUUOW-APIJFGDWSA-N 1 0 388.534 -0.489 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104685669 1073065671 /nfs/dbraw/zinc/06/56/71/1073065671.db2.gz OIFKXGFAEHBPTI-LVQVYYBASA-N 1 0 379.505 -0.013 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104685724 1073066049 /nfs/dbraw/zinc/06/60/49/1073066049.db2.gz PVYZNEOLDCMQLW-YIYPIFLZSA-N 1 0 378.477 -0.416 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)NCC(F)(F)F ZINC001104685913 1073065760 /nfs/dbraw/zinc/06/57/60/1073065760.db2.gz TUFOJZXHHNOMJQ-KKOKHZNYSA-N 1 0 378.395 -0.140 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104686051 1073065889 /nfs/dbraw/zinc/06/58/89/1073065889.db2.gz WXGDSDZGYQVVMH-APIJFGDWSA-N 1 0 393.488 -0.486 20 0 GBADRO CCS(=O)(=O)NCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001104686205 1073065704 /nfs/dbraw/zinc/06/57/04/1073065704.db2.gz AHSDUNRBYXOTMP-TUVASFSCSA-N 1 0 388.534 -0.489 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)Nc1nncs1 ZINC001104686231 1073065796 /nfs/dbraw/zinc/06/57/96/1073065796.db2.gz BSNKXZQYEGCYAZ-KKOKHZNYSA-N 1 0 380.474 -0.328 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1nnc2n1CCOC2 ZINC001104686232 1073066009 /nfs/dbraw/zinc/06/60/09/1073066009.db2.gz BTKMBOLEEANWKH-SYQHCUMBSA-N 1 0 376.461 -0.496 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CCCN1C(=O)CNC1=O ZINC001104686388 1073065650 /nfs/dbraw/zinc/06/56/50/1073065650.db2.gz GENWBGUNZBJTTK-SYQHCUMBSA-N 1 0 379.461 -0.876 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CCN1CCCS1(=O)=O ZINC001104686390 1073065662 /nfs/dbraw/zinc/06/56/62/1073065662.db2.gz GGOSLUMWFDEQSY-TUVASFSCSA-N 1 0 386.518 -0.783 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC1CCOCC1 ZINC001104686541 1073065644 /nfs/dbraw/zinc/06/56/44/1073065644.db2.gz HLAJAKAYKDLVJR-XOUADPBQSA-N 1 0 380.489 -0.523 20 0 GBADRO CCCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001104686596 1073065745 /nfs/dbraw/zinc/06/57/45/1073065745.db2.gz IYLFVPUAHVUISL-SYQHCUMBSA-N 1 0 381.477 -0.582 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001104686770 1073065753 /nfs/dbraw/zinc/06/57/53/1073065753.db2.gz OSJXRCLUJKRAIT-OXHZDVMGSA-N 1 0 379.461 -0.830 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CCCS(=O)(=O)N(C)C ZINC001104686800 1073066697 /nfs/dbraw/zinc/06/66/97/1073066697.db2.gz QNOOHOYWKVEXPG-TUVASFSCSA-N 1 0 388.534 -0.537 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CC(=O)NCc1cccnc1 ZINC001104687016 1073066308 /nfs/dbraw/zinc/06/63/08/1073066308.db2.gz SKSTWZMBEUHESB-DZUCGIPZSA-N 1 0 387.484 -0.107 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104689715 1073070869 /nfs/dbraw/zinc/07/08/69/1073070869.db2.gz AGYMOKMZMOWVHE-TUVASFSCSA-N 1 0 388.534 -0.666 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CC[NH2+]CCN1C(=O)CNC1=O ZINC001104689727 1073071477 /nfs/dbraw/zinc/07/14/77/1073071477.db2.gz BJPQIWQQPZVMEQ-TUVASFSCSA-N 1 0 393.488 -0.663 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001104689858 1073071463 /nfs/dbraw/zinc/07/14/63/1073071463.db2.gz HPHSJYGARXIXCP-SYQHCUMBSA-N 1 0 381.477 -0.760 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104690643 1073071775 /nfs/dbraw/zinc/07/17/75/1073071775.db2.gz OVJQWHHVSOXULS-FPCVCCKLSA-N 1 0 379.505 -0.190 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104691338 1073071373 /nfs/dbraw/zinc/07/13/73/1073071373.db2.gz YWFXOCADIIJLLY-FPCVCCKLSA-N 1 0 392.500 -0.066 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104691459 1073071173 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1073084740 /nfs/dbraw/zinc/08/47/40/1073084740.db2.gz SDPOSJDEIUUVQR-HHARLNAUSA-N 1 0 392.500 -0.414 20 0 GBADRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105290631 1073338048 /nfs/dbraw/zinc/33/80/48/1073338048.db2.gz VLSFZCLEHIOIEJ-RRQGHBQHSA-N 1 0 379.461 -0.161 20 0 GBADRO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001111493350 1073256757 /nfs/dbraw/zinc/25/67/57/1073256757.db2.gz QJUTWYJODAMOHN-KFWWJZLASA-N 1 0 382.461 -0.297 20 0 GBADRO CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)C2 ZINC001111514188 1072480587 /nfs/dbraw/zinc/48/05/87/1072480587.db2.gz VPGLSBNVWJYCKX-ASEORRQLSA-N 1 0 379.461 -0.532 20 0 GBADRO CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)C2 ZINC001111514189 1072480547 /nfs/dbraw/zinc/48/05/47/1072480547.db2.gz VPGLSBNVWJYCKX-ZRJCITRHSA-N 1 0 379.461 -0.532 20 0 GBADRO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111514870 1072218346 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/nfs/dbraw/zinc/87/04/05/1073870405.db2.gz IUUTXCINVLTMBT-AAVRWANBSA-N 1 0 383.411 -0.307 20 0 GBADRO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001112166198 1073298486 /nfs/dbraw/zinc/29/84/86/1073298486.db2.gz JAVPXEIQHAEIJV-WRWGMCAJSA-N 1 0 378.395 -0.047 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001112166474 1073298504 /nfs/dbraw/zinc/29/85/04/1073298504.db2.gz VWNLVFMXRLHCMJ-YVECIDJPSA-N 1 0 381.395 -0.124 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)O1 ZINC001112166486 1073299156 /nfs/dbraw/zinc/29/91/56/1073299156.db2.gz WFSSMUAAIHOBIM-WISYIIOYSA-N 1 0 383.367 -0.993 20 0 GBADRO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001112167016 1073304905 /nfs/dbraw/zinc/30/49/05/1073304905.db2.gz CYIVVIHIGCDEJM-WRWGMCAJSA-N 1 0 393.410 -0.206 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112167643 1073311500 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ZINC001112486256 1072334685 /nfs/dbraw/zinc/33/46/85/1072334685.db2.gz IUBDIRPGQBIIMV-CBLNMMRZSA-N 1 0 394.472 -0.549 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)O1 ZINC001112529058 1073544010 /nfs/dbraw/zinc/54/40/10/1073544010.db2.gz CPNGUZRSYNBEGM-FIIQBIKZSA-N 1 0 378.473 -0.484 20 0 GBADRO CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001112529074 1073544226 /nfs/dbraw/zinc/54/42/26/1073544226.db2.gz DJFIKLJPWFFXCB-ZTENYAIWSA-N 1 0 380.489 -0.236 20 0 GBADRO CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001112529126 1073544164 /nfs/dbraw/zinc/54/41/64/1073544164.db2.gz HRYJHNWJGVIQAX-ZTENYAIWSA-N 1 0 380.489 -0.238 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)O1 ZINC001112529128 1073543937 /nfs/dbraw/zinc/54/39/37/1073543937.db2.gz IBDGBWNQTZXQDN-ZTENYAIWSA-N 1 0 378.473 -0.530 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)O1 ZINC001112529138 1073544187 /nfs/dbraw/zinc/54/41/87/1073544187.db2.gz IQOWTGGXGGACFV-AFIMGQEJSA-N 1 0 376.461 -0.471 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001112529245 1073544019 /nfs/dbraw/zinc/54/40/19/1073544019.db2.gz PEKFLSMCLKZGAN-MFCZKXCZSA-N 1 0 392.500 -0.140 20 0 GBADRO COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001112529270 1073543789 /nfs/dbraw/zinc/54/37/89/1073543789.db2.gz QNZLPENDFKIXDW-GGXPGOJBSA-N 1 0 383.489 -0.099 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC3CC3)C2)O1 ZINC001112529285 1073544206 /nfs/dbraw/zinc/54/42/06/1073544206.db2.gz RLFDTGIMACOXSJ-MFCZKXCZSA-N 1 0 392.500 -0.236 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCNC3=O)C2)O1 ZINC001112529312 1073544290 /nfs/dbraw/zinc/54/42/90/1073544290.db2.gz SUGURDLHMHQIBB-ZTENYAIWSA-N 1 0 393.488 -0.737 20 0 GBADRO NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@H](C(=O)N3CCCC3)O1)C2 ZINC001112529340 1073544220 /nfs/dbraw/zinc/54/42/20/1073544220.db2.gz URRWAJDFABKPLS-QOIOWGMHSA-N 1 0 392.500 -0.140 20 0 GBADRO CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001112529347 1073543839 /nfs/dbraw/zinc/54/38/39/1073543839.db2.gz UVEYYXKWJVKAAZ-ZTENYAIWSA-N 1 0 380.489 -0.284 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCNC(=O)C3CC3)C2)O1 ZINC001112529351 1073544191 /nfs/dbraw/zinc/54/41/91/1073544191.db2.gz UYLDAFGWQFTXSA-MFCZKXCZSA-N 1 0 392.500 -0.236 20 0 GBADRO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001112529353 1073544108 /nfs/dbraw/zinc/54/41/08/1073544108.db2.gz UZKFKPSQMJRKFJ-ZTENYAIWSA-N 1 0 380.489 -0.414 20 0 GBADRO CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2)C1CC1 ZINC001112529362 1073544038 /nfs/dbraw/zinc/54/40/38/1073544038.db2.gz VIUXDROFAIPKGB-NTNQKNOYSA-N 1 0 392.500 -0.142 20 0 GBADRO CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001112529370 1073543975 /nfs/dbraw/zinc/54/39/75/1073543975.db2.gz VTUGGEJZLINNJV-ZJOBFFGXSA-N 1 0 387.502 -0.718 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCN3CCCC3=O)C2)O1 ZINC001112529400 1073544140 /nfs/dbraw/zinc/54/41/40/1073544140.db2.gz XAALAKCMHBAEAG-MFCZKXCZSA-N 1 0 392.500 -0.140 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112530057 1073563028 /nfs/dbraw/zinc/56/30/28/1073563028.db2.gz BAAYSEXHGULFRG-YFQWEKLQSA-N 1 0 379.461 -0.876 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112530212 1073564385 /nfs/dbraw/zinc/56/43/85/1073564385.db2.gz JERLRTKJBDDGFJ-QOIOWGMHSA-N 1 0 391.516 -0.046 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001112530239 1073564177 /nfs/dbraw/zinc/56/41/77/1073564177.db2.gz KTURGRFECBLOGQ-BZIRYSOJSA-N 1 0 393.488 -0.438 20 0 GBADRO NC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001112530493 1073565381 /nfs/dbraw/zinc/56/53/81/1073565381.db2.gz XDIHWYITPWSYCF-OXRQTFEDSA-N 1 0 379.461 -0.699 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001112530576 1073577127 /nfs/dbraw/zinc/57/71/27/1073577127.db2.gz BARNIAXXMQFWRE-PRKYJLDLSA-N 1 0 391.472 -0.686 20 0 GBADRO CCNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530585 1073576724 /nfs/dbraw/zinc/57/67/24/1073576724.db2.gz BKAAAYSIXWSZNN-YFQWEKLQSA-N 1 0 379.461 -0.828 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001112530594 1073576896 /nfs/dbraw/zinc/57/68/96/1073576896.db2.gz BUVURWGSFCWMMS-LJPSSGMGSA-N 1 0 391.472 -0.732 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2nncs2)C1 ZINC001112530604 1073576631 /nfs/dbraw/zinc/57/66/31/1073576631.db2.gz CJLUZNAEDIEOTB-JJHQXXDFSA-N 1 0 392.485 -0.184 20 0 GBADRO CCCNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530642 1073577385 /nfs/dbraw/zinc/57/73/85/1073577385.db2.gz DZRSXVAGWACIAK-LJPSSGMGSA-N 1 0 393.488 -0.438 20 0 GBADRO COCCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530683 1073577844 /nfs/dbraw/zinc/57/78/44/1073577844.db2.gz HISALDWQKAIYDV-YGTYGHESSA-N 1 0 380.489 -0.521 20 0 GBADRO CC(=O)NCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530692 1073578021 /nfs/dbraw/zinc/57/80/21/1073578021.db2.gz HTGKNWMZKVJHHJ-RCJHGTSTSA-N 1 0 380.489 -0.521 20 0 GBADRO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112530707 1073577623 /nfs/dbraw/zinc/57/76/23/1073577623.db2.gz IGXSQKIXLNGNIT-KRXQYRFLSA-N 1 0 385.530 -0.026 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001112530728 1073578038 /nfs/dbraw/zinc/57/80/38/1073578038.db2.gz JUZTUUWGRVORIF-YGTYGHESSA-N 1 0 378.473 -0.815 20 0 GBADRO CCS(=O)(=O)NCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530738 1073577603 /nfs/dbraw/zinc/57/76/03/1073577603.db2.gz KHPSKIKEJQTRHK-LOUJCGABSA-N 1 0 386.518 -0.735 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001112530793 1073578962 /nfs/dbraw/zinc/57/89/62/1073578962.db2.gz NYYGJADKQWMQTM-YEOLMYPVSA-N 1 0 392.500 -0.379 20 0 GBADRO CN(CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2)S(C)(=O)=O ZINC001112530795 1073578890 /nfs/dbraw/zinc/57/88/90/1073578890.db2.gz ODZCWGGNIWMNOA-LOUJCGABSA-N 1 0 386.518 -0.783 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001112530897 1073578449 /nfs/dbraw/zinc/57/84/49/1073578449.db2.gz SWOVXCUSSLXYLR-LJPSSGMGSA-N 1 0 393.488 -0.615 20 0 GBADRO CCOCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001112530943 1073578861 /nfs/dbraw/zinc/57/88/61/1073578861.db2.gz WRQCHEMRMNMGAJ-YGTYGHESSA-N 1 0 380.489 -0.521 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001112530965 1073578552 /nfs/dbraw/zinc/57/85/52/1073578552.db2.gz XNDJATWVKMSSGL-LJPSSGMGSA-N 1 0 386.456 -0.245 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001112531063 1073584672 /nfs/dbraw/zinc/58/46/72/1073584672.db2.gz CHODUTRUKZGQGZ-LJPSSGMGSA-N 1 0 376.457 -0.525 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001112531391 1073586686 /nfs/dbraw/zinc/58/66/86/1073586686.db2.gz VGELXLFVBRPBKE-YFQWEKLQSA-N 1 0 375.429 -0.047 20 0 GBADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112531992 1073599711 /nfs/dbraw/zinc/59/97/11/1073599711.db2.gz BLUXYCPZRBMOIR-HLBODDRNSA-N 1 0 388.472 -0.063 20 0 GBADRO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001112532253 1073600796 /nfs/dbraw/zinc/60/07/96/1073600796.db2.gz PQHBGSWXMXJZTJ-QIJLZVCCSA-N 1 0 392.500 -0.412 20 0 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O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001126348913 1073840345 /nfs/dbraw/zinc/84/03/45/1073840345.db2.gz XXVLXLNWEXXZMY-CQSZACIVSA-N 1 0 378.433 -0.429 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC[N@H+](C)C1 ZINC001142390817 1073899920 /nfs/dbraw/zinc/89/99/20/1073899920.db2.gz XUPINCKRGREMRX-LLVKDONJSA-N 1 0 376.417 -0.435 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC[N@H+](C)C1 ZINC001142390818 1073899661 /nfs/dbraw/zinc/89/96/61/1073899661.db2.gz XUPINCKRGREMRX-NSHDSACASA-N 1 0 376.417 -0.435 20 0 GBADRO CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C(N)=O ZINC001142410882 1073940840 /nfs/dbraw/zinc/94/08/40/1073940840.db2.gz UHHJVDJLFQDAGP-HNNXBMFYSA-N 1 0 397.520 -0.691 20 0 GBADRO CC1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)COC1 ZINC001143382287 1072508959 /nfs/dbraw/zinc/50/89/59/1072508959.db2.gz ODHQDIOWNOEHPP-UONOGXRCSA-N 1 0 392.481 -0.146 20 0 GBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(C)COC2)c2nonc21 ZINC001143392458 1072582788 /nfs/dbraw/zinc/58/27/88/1072582788.db2.gz AIUSEXZGCIBLSC-UHFFFAOYSA-N 1 0 383.430 -0.199 20 0 GBADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001143440269 1072320104 /nfs/dbraw/zinc/32/01/04/1072320104.db2.gz YDFFJBYLCWEZTQ-IBGZPJMESA-N 1 0 390.488 -0.522 20 0 GBADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001143440271 1072320718 /nfs/dbraw/zinc/32/07/18/1072320718.db2.gz YDFFJBYLCWEZTQ-LJQANCHMSA-N 1 0 390.488 -0.522 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCCS1(=O)=O)CC2 ZINC001143469784 1072974629 /nfs/dbraw/zinc/97/46/29/1072974629.db2.gz HUWYMASMOWEFFX-CYBMUJFWSA-N 1 0 384.458 -0.572 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC001143469787 1072974324 /nfs/dbraw/zinc/97/43/24/1072974324.db2.gz HUWYMASMOWEFFX-ZDUSSCGKSA-N 1 0 384.458 -0.572 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CC3)CC1 ZINC001143470186 1072977123 /nfs/dbraw/zinc/97/71/23/1072977123.db2.gz JYTPJGHNKPNQFE-HNNXBMFYSA-N 1 0 381.502 -0.450 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCCS2(=O)=O)CC3)CC1 ZINC001143470188 1072977454 /nfs/dbraw/zinc/97/74/54/1072977454.db2.gz JYTPJGHNKPNQFE-OAHLLOKOSA-N 1 0 381.502 -0.450 20 0 GBADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCCS1(=O)=O ZINC001143482833 1073110784 /nfs/dbraw/zinc/11/07/84/1073110784.db2.gz FNIMEDLIMPYVOH-AWEZNQCLSA-N 1 0 387.483 -0.490 20 0 GBADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1CCCS1(=O)=O ZINC001143482835 1073111155 /nfs/dbraw/zinc/11/11/55/1073111155.db2.gz FNIMEDLIMPYVOH-CQSZACIVSA-N 1 0 387.483 -0.490 20 0 GBADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164392701 718830570 /nfs/dbraw/zinc/83/05/70/718830570.db2.gz QOQZERBLBQMLSA-INIZCTEOSA-N 1 0 389.504 -0.756 20 0 GBADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164392703 718830624 /nfs/dbraw/zinc/83/06/24/718830624.db2.gz QOQZERBLBQMLSA-MRXNPFEDSA-N 1 0 389.504 -0.756 20 0 GBADRO O=C(c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164402246 718841292 /nfs/dbraw/zinc/84/12/92/718841292.db2.gz DKXQWRVRQYTBNT-HNNXBMFYSA-N 1 0 379.486 -0.954 20 0 GBADRO O=C(c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164402248 718841213 /nfs/dbraw/zinc/84/12/13/718841213.db2.gz DKXQWRVRQYTBNT-OAHLLOKOSA-N 1 0 379.486 -0.954 20 0 GBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001164402588 718852729 /nfs/dbraw/zinc/85/27/29/718852729.db2.gz GLHDZYJAUNJPEK-PELKAZGASA-N 1 0 382.820 -0.055 20 0 GBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)c1 ZINC001164402589 718852868 /nfs/dbraw/zinc/85/28/68/718852868.db2.gz GLHDZYJAUNJPEK-PRHODGIISA-N 1 0 382.820 -0.055 20 0 GBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c1 ZINC001164402590 718852848 /nfs/dbraw/zinc/85/28/48/718852848.db2.gz GLHDZYJAUNJPEK-QPUJVOFHSA-N 1 0 382.820 -0.055 20 0 GBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001164402591 718852737 /nfs/dbraw/zinc/85/27/37/718852737.db2.gz GLHDZYJAUNJPEK-UFBFGSQYSA-N 1 0 382.820 -0.055 20 0 GBADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164406654 718837150 /nfs/dbraw/zinc/83/71/50/718837150.db2.gz SQNNFNZZMUNCRK-AWEZNQCLSA-N 1 0 376.461 -0.416 20 0 GBADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164406655 718837241 /nfs/dbraw/zinc/83/72/41/718837241.db2.gz SQNNFNZZMUNCRK-CQSZACIVSA-N 1 0 376.461 -0.416 20 0 GBADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCNC(=O)C23C[NH2+]C3)c1 ZINC001164410697 718878945 /nfs/dbraw/zinc/87/89/45/718878945.db2.gz GCHPPEYUDHYGDR-UHFFFAOYSA-N 1 0 381.792 -0.795 20 0 GBADRO O=C1NCCN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)C12C[NH2+]C2 ZINC001164412197 718877914 /nfs/dbraw/zinc/87/79/14/718877914.db2.gz UHUWDJDGZBBRSF-UHFFFAOYSA-N 1 0 388.806 -0.210 20 0 GBADRO CS(=O)(=O)c1cc(C(F)(F)N2CCNC(=O)C23C[NH2+]C3)cnc1Cl ZINC001164413767 718879859 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-0.331 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H]21 ZINC001164666351 719378003 /nfs/dbraw/zinc/37/80/03/719378003.db2.gz FJPBIUQETJASBK-HZPDHXFCSA-N 1 0 390.488 -0.331 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001164666352 719377828 /nfs/dbraw/zinc/37/78/28/719377828.db2.gz FJPBIUQETJASBK-JKSUJKDBSA-N 1 0 390.488 -0.331 20 0 GBADRO C[N@@H+]1CCO[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H]21 ZINC001164667120 719374979 /nfs/dbraw/zinc/37/49/79/719374979.db2.gz IFJAMQSRDBCSCM-CABCVRRESA-N 1 0 391.476 -0.936 20 0 GBADRO C[N@@H+]1CCO[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001164667121 719375293 /nfs/dbraw/zinc/37/52/93/719375293.db2.gz IFJAMQSRDBCSCM-GJZGRUSLSA-N 1 0 391.476 -0.936 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H]21 ZINC001164667122 719375387 /nfs/dbraw/zinc/37/53/87/719375387.db2.gz IFJAMQSRDBCSCM-HUUCEWRRSA-N 1 0 391.476 -0.936 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001164667123 719375062 /nfs/dbraw/zinc/37/50/62/719375062.db2.gz IFJAMQSRDBCSCM-LSDHHAIUSA-N 1 0 391.476 -0.936 20 0 GBADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@H]21 ZINC001164669013 719460511 /nfs/dbraw/zinc/46/05/11/719460511.db2.gz SIIARZKHUHXLHM-CABCVRRESA-N 1 0 380.470 -0.529 20 0 GBADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001164669018 719461205 /nfs/dbraw/zinc/46/12/05/719461205.db2.gz SIIARZKHUHXLHM-GJZGRUSLSA-N 1 0 380.470 -0.529 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@H]21 ZINC001164669020 719461173 /nfs/dbraw/zinc/46/11/73/719461173.db2.gz SIIARZKHUHXLHM-HUUCEWRRSA-N 1 0 380.470 -0.529 20 0 GBADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001164669022 719460252 /nfs/dbraw/zinc/46/02/52/719460252.db2.gz SIIARZKHUHXLHM-LSDHHAIUSA-N 1 0 380.470 -0.529 20 0 GBADRO C[NH+]1CCN(c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)nn2)CC1 ZINC001164676363 719570094 /nfs/dbraw/zinc/57/00/94/719570094.db2.gz CJRJWUQKAZXUHS-UHFFFAOYSA-N 1 0 399.503 -0.328 20 0 GBADRO [NH3+]C1CCN(c2ccnc(N3CCn4c(CN5CCOCC5)nnc4C3)n2)CC1 ZINC001164678037 719581870 /nfs/dbraw/zinc/58/18/70/719581870.db2.gz GZTWGIFWDIMTNF-UHFFFAOYSA-N 1 0 399.503 -0.152 20 0 GBADRO c1ncc(N2CCn3c(CN4CCOCC4)nnc3C2)nc1N1CC[NH2+]CC1 ZINC001164678042 719579870 /nfs/dbraw/zinc/57/98/70/719579870.db2.gz HCUNYBGYUVFSEM-UHFFFAOYSA-N 1 0 385.476 -0.670 20 0 GBADRO c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)ncc1N1CC[NH2+]CC1 ZINC001164679881 719582906 /nfs/dbraw/zinc/58/29/06/719582906.db2.gz IUKYQVLUCWWNRQ-UHFFFAOYSA-N 1 0 384.488 -0.065 20 0 GBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164704151 720047958 /nfs/dbraw/zinc/04/79/58/720047958.db2.gz NXGRYSFQZIUTEY-UHFFFAOYSA-N 1 0 396.499 -0.194 20 0 GBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164705224 719939005 /nfs/dbraw/zinc/93/90/05/719939005.db2.gz WTBPTBAFYXULCF-UHFFFAOYSA-N 1 0 396.499 -0.194 20 0 GBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164708416 719907648 /nfs/dbraw/zinc/90/76/48/719907648.db2.gz CUWNUBKHRQYMHE-UHFFFAOYSA-N 1 0 382.472 -0.236 20 0 GBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164708456 719915201 /nfs/dbraw/zinc/91/52/01/719915201.db2.gz DONNHPSWSFWZAH-UHFFFAOYSA-N 1 0 396.499 -0.194 20 0 GBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164709657 720049902 /nfs/dbraw/zinc/04/99/02/720049902.db2.gz AQIJLEBERWXITE-UHFFFAOYSA-N 1 0 396.499 -0.153 20 0 GBADRO Cn1nnc2c1CCN(c1ccc(C(N)=O)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714477 720172532 /nfs/dbraw/zinc/17/25/32/720172532.db2.gz PQWFJWAFEQGCGO-HNNXBMFYSA-N 1 0 386.460 -0.080 20 0 GBADRO Cn1nnc2c1CCN(c1ccc(C(N)=O)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714479 720172641 /nfs/dbraw/zinc/17/26/41/720172641.db2.gz PQWFJWAFEQGCGO-OAHLLOKOSA-N 1 0 386.460 -0.080 20 0 GBADRO Cn1nnc2c1CCN(c1nccc(C(N)=O)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715684 720171865 /nfs/dbraw/zinc/17/18/65/720171865.db2.gz WBDPJOYDPHFCSE-HNNXBMFYSA-N 1 0 386.460 -0.080 20 0 GBADRO Cn1nnc2c1CCN(c1nccc(C(N)=O)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715687 720172195 /nfs/dbraw/zinc/17/21/95/720172195.db2.gz WBDPJOYDPHFCSE-OAHLLOKOSA-N 1 0 386.460 -0.080 20 0 GBADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716799 720213185 /nfs/dbraw/zinc/21/31/85/720213185.db2.gz FFMRUOKHFQBFOK-FQEVSTJZSA-N 1 0 388.516 -0.170 20 0 GBADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716802 720213092 /nfs/dbraw/zinc/21/30/92/720213092.db2.gz FFMRUOKHFQBFOK-HXUWFJFHSA-N 1 0 388.516 -0.170 20 0 GBADRO NS(=O)(=O)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nn1 ZINC001164736506 720590560 /nfs/dbraw/zinc/59/05/60/720590560.db2.gz MNZUWSKNWCUPFZ-UHFFFAOYSA-N 1 0 377.474 -0.021 20 0 GBADRO NS(=O)(=O)c1cccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741501 720804355 /nfs/dbraw/zinc/80/43/55/720804355.db2.gz BIPJLYJUFDHVBK-CHWSQXEVSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741543 720804279 /nfs/dbraw/zinc/80/42/79/720804279.db2.gz BIPJLYJUFDHVBK-OLZOCXBDSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741548 720804581 /nfs/dbraw/zinc/80/45/81/720804581.db2.gz BIPJLYJUFDHVBK-QWHCGFSZSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741551 720804629 /nfs/dbraw/zinc/80/46/29/720804629.db2.gz BIPJLYJUFDHVBK-STQMWFEESA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741649 720678193 /nfs/dbraw/zinc/67/81/93/720678193.db2.gz UOKWBIQCCGEJPE-CHWSQXEVSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741652 720680361 /nfs/dbraw/zinc/68/03/61/720680361.db2.gz UOKWBIQCCGEJPE-OLZOCXBDSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741655 720679880 /nfs/dbraw/zinc/67/98/80/720679880.db2.gz UOKWBIQCCGEJPE-QWHCGFSZSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741658 720680388 /nfs/dbraw/zinc/68/03/88/720680388.db2.gz UOKWBIQCCGEJPE-STQMWFEESA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164742211 720786072 /nfs/dbraw/zinc/78/60/72/720786072.db2.gz NQZHSZBTRZJZII-CHWSQXEVSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164742213 720786476 /nfs/dbraw/zinc/78/64/76/720786476.db2.gz NQZHSZBTRZJZII-OLZOCXBDSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164742215 720785199 /nfs/dbraw/zinc/78/51/99/720785199.db2.gz NQZHSZBTRZJZII-QWHCGFSZSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164742217 720787184 /nfs/dbraw/zinc/78/71/84/720787184.db2.gz NQZHSZBTRZJZII-STQMWFEESA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743597 720634034 /nfs/dbraw/zinc/63/40/34/720634034.db2.gz PPFQWJXSMXGXPW-CHWSQXEVSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743598 720632176 /nfs/dbraw/zinc/63/21/76/720632176.db2.gz PPFQWJXSMXGXPW-OLZOCXBDSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743599 720633434 /nfs/dbraw/zinc/63/34/34/720633434.db2.gz PPFQWJXSMXGXPW-QWHCGFSZSA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743601 720632704 /nfs/dbraw/zinc/63/27/04/720632704.db2.gz PPFQWJXSMXGXPW-STQMWFEESA-N 1 0 376.442 -0.139 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744827 720790861 /nfs/dbraw/zinc/79/08/61/720790861.db2.gz ISMFYPFJHXMJIS-NEPJUHHUSA-N 1 0 377.430 -0.744 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164744835 720794351 /nfs/dbraw/zinc/79/43/51/720794351.db2.gz ISMFYPFJHXMJIS-NWDGAFQWSA-N 1 0 377.430 -0.744 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164744843 720795632 /nfs/dbraw/zinc/79/56/32/720795632.db2.gz ISMFYPFJHXMJIS-RYUDHWBXSA-N 1 0 377.430 -0.744 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744845 720794242 /nfs/dbraw/zinc/79/42/42/720794242.db2.gz ISMFYPFJHXMJIS-VXGBXAGGSA-N 1 0 377.430 -0.744 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164750693 720952457 /nfs/dbraw/zinc/95/24/57/720952457.db2.gz MPPZJKXUBQOWAE-UHFFFAOYSA-N 1 0 394.457 -0.429 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164752155 720947963 /nfs/dbraw/zinc/94/79/63/720947963.db2.gz VREKSGBXGNXKHO-UHFFFAOYSA-N 1 0 394.457 -0.429 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164754102 720966102 /nfs/dbraw/zinc/96/61/02/720966102.db2.gz KQTWMBAAPGCNAN-UHFFFAOYSA-N 1 0 394.457 -0.429 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164754133 720969967 /nfs/dbraw/zinc/96/99/67/720969967.db2.gz MOECVAZBNPBCOE-UHFFFAOYSA-N 1 0 394.457 -0.429 20 0 GBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cncc(-n3cncn3)n1)CC2 ZINC001164754940 720964897 /nfs/dbraw/zinc/96/48/97/720964897.db2.gz ZQRASKIGWYEBBR-UHFFFAOYSA-N 1 0 383.416 -0.101 20 0 GBADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(S(N)(=O)=O)nn4)C[C@@H]3C2)cn1 ZINC001164770947 721226705 /nfs/dbraw/zinc/22/67/05/721226705.db2.gz PHMLTBAIKSZGKO-KBPBESRZSA-N 1 0 377.474 -0.184 20 0 GBADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(S(N)(=O)=O)nn4)C[C@@H]3C2)cn1 ZINC001164770949 721226391 /nfs/dbraw/zinc/22/63/91/721226391.db2.gz PHMLTBAIKSZGKO-KGLIPLIRSA-N 1 0 377.474 -0.184 20 0 GBADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(S(N)(=O)=O)nn4)C[C@H]3C2)cn1 ZINC001164770950 721226477 /nfs/dbraw/zinc/22/64/77/721226477.db2.gz PHMLTBAIKSZGKO-UONOGXRCSA-N 1 0 377.474 -0.184 20 0 GBADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(S(N)(=O)=O)nn4)C[C@H]3C2)cn1 ZINC001164770952 721227525 /nfs/dbraw/zinc/22/75/25/721227525.db2.gz PHMLTBAIKSZGKO-ZIAGYGMSSA-N 1 0 377.474 -0.184 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(S(N)(=O)=O)cn2)CC3)CC1 ZINC001164794122 721512686 /nfs/dbraw/zinc/51/26/86/721512686.db2.gz GNLOFZBECAJZOY-UHFFFAOYSA-N 1 0 391.501 -0.307 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2S(N)(=O)=O)CC3)CC1 ZINC001164794594 721509575 /nfs/dbraw/zinc/50/95/75/721509575.db2.gz AQOSBTNQGKYLQV-UHFFFAOYSA-N 1 0 391.501 -0.307 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(S(N)(=O)=O)nn2)CC3)CC1 ZINC001164795047 721520624 /nfs/dbraw/zinc/52/06/24/721520624.db2.gz IZEAOEKDWGTZTP-UHFFFAOYSA-N 1 0 392.489 -0.912 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(S(N)(=O)=O)ccn2)CC3)CC1 ZINC001164795307 721520885 /nfs/dbraw/zinc/52/08/85/721520885.db2.gz MCDMRJFJISTTRR-UHFFFAOYSA-N 1 0 391.501 -0.307 20 0 GBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(S(N)(=O)=O)n2)CC3)CC1 ZINC001164795838 721522696 /nfs/dbraw/zinc/52/26/96/721522696.db2.gz TUAVZLPIUCXPMH-UHFFFAOYSA-N 1 0 391.501 -0.307 20 0 GBADRO CN1CC(=O)Nc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc21 ZINC001164799183 721515401 /nfs/dbraw/zinc/51/54/01/721515401.db2.gz YALOIRYBLRDCTH-UHFFFAOYSA-N 1 0 397.487 -0.171 20 0 GBADRO CN1CCN(c2ccc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)nn2)CC1 ZINC001164816081 720247234 /nfs/dbraw/zinc/24/72/34/720247234.db2.gz GAKZZKZJGJWBGD-UHFFFAOYSA-N 1 0 398.471 -0.510 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cncc(C(N)=O)n3)CC2)C1 ZINC001164868584 721270052 /nfs/dbraw/zinc/27/00/52/721270052.db2.gz DDTGHTUWAKZQDH-UHFFFAOYSA-N 1 0 376.461 -0.418 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C(N)=O)nn3)CC2)C1 ZINC001164869829 721265346 /nfs/dbraw/zinc/26/53/46/721265346.db2.gz PCKWGVWYDAZXDH-UHFFFAOYSA-N 1 0 376.461 -0.418 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(C(N)=O)n3)CC2)C1 ZINC001164869874 721265743 /nfs/dbraw/zinc/26/57/43/721265743.db2.gz RMKBTVOFIMXTFG-UHFFFAOYSA-N 1 0 376.461 -0.418 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3nnn4C)CC2)C1 ZINC001164874504 721285789 /nfs/dbraw/zinc/28/57/89/721285789.db2.gz SZENKSZDVULZIP-UHFFFAOYSA-N 1 0 388.476 -0.235 20 0 GBADRO CNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nn1 ZINC001164874844 721288609 /nfs/dbraw/zinc/28/86/09/721288609.db2.gz DFRUWHGHNUXGAX-UHFFFAOYSA-N 1 0 390.488 -0.157 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877593 721170757 /nfs/dbraw/zinc/17/07/57/721170757.db2.gz OXOIOWREOOLBHX-CABCVRRESA-N 1 0 390.469 -0.001 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164877594 721170849 /nfs/dbraw/zinc/17/08/49/721170849.db2.gz OXOIOWREOOLBHX-GJZGRUSLSA-N 1 0 390.469 -0.001 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164877595 721171471 /nfs/dbraw/zinc/17/14/71/721171471.db2.gz OXOIOWREOOLBHX-HUUCEWRRSA-N 1 0 390.469 -0.001 20 0 GBADRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164877596 721171965 /nfs/dbraw/zinc/17/19/65/721171965.db2.gz OXOIOWREOOLBHX-LSDHHAIUSA-N 1 0 390.469 -0.001 20 0 GBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164936301 721882681 /nfs/dbraw/zinc/88/26/81/721882681.db2.gz ZKWCTVUBZFAEAQ-CABCVRRESA-N 1 0 397.501 -0.270 20 0 GBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164936303 721882980 /nfs/dbraw/zinc/88/29/80/721882980.db2.gz ZKWCTVUBZFAEAQ-GJZGRUSLSA-N 1 0 397.501 -0.270 20 0 GBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164936305 721882726 /nfs/dbraw/zinc/88/27/26/721882726.db2.gz ZKWCTVUBZFAEAQ-HUUCEWRRSA-N 1 0 397.501 -0.270 20 0 GBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164936307 721882883 /nfs/dbraw/zinc/88/28/83/721882883.db2.gz ZKWCTVUBZFAEAQ-LSDHHAIUSA-N 1 0 397.501 -0.270 20 0 GBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967509 722076155 /nfs/dbraw/zinc/07/61/55/722076155.db2.gz SNPJUUMXARAEAM-BETUJISGSA-N 1 0 396.469 -0.185 20 0 GBADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(S(N)(=O)=O)nn1)CCC2 ZINC001165004825 722257281 /nfs/dbraw/zinc/25/72/81/722257281.db2.gz VIDODCNXGVBBHY-UHFFFAOYSA-N 1 0 395.489 -0.191 20 0 GBADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001165012149 721747723 /nfs/dbraw/zinc/74/77/23/721747723.db2.gz ANIWLWUVMRKDCO-UHFFFAOYSA-N 1 0 382.490 -0.353 20 0 GBADRO CS(=O)(=O)c1nc2c(c(N3CCN(C[C@@H]4CCCO4)CC3)n1)CC[NH2+]CC2 ZINC001165037894 721901075 /nfs/dbraw/zinc/90/10/75/721901075.db2.gz NJJOSLLDAMQSBQ-AWEZNQCLSA-N 1 0 395.529 -0.131 20 0 GBADRO CS(=O)(=O)c1nc2c(c(N3CCN(C[C@H]4CCCO4)CC3)n1)CC[NH2+]CC2 ZINC001165037895 721901190 /nfs/dbraw/zinc/90/11/90/721901190.db2.gz NJJOSLLDAMQSBQ-CQSZACIVSA-N 1 0 395.529 -0.131 20 0 GBADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001167071083 1072180969 /nfs/dbraw/zinc/18/09/69/1072180969.db2.gz JZLGBKNEBXLGHB-HZMVEIRTSA-N 1 0 380.489 -0.223 20 0 GBADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001167071086 1072181107 /nfs/dbraw/zinc/18/11/07/1072181107.db2.gz JZLGBKNEBXLGHB-VQHPVUNQSA-N 1 0 380.489 -0.223 20 0 GBADRO CC(=O)N1CCC(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001167080165 1072193918 /nfs/dbraw/zinc/19/39/18/1072193918.db2.gz YWYWLJVVNNWTKG-ZACQAIPSSA-N 1 0 380.489 -0.223 20 0 GBADRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCCCN1CCCC1=O ZINC001167091963 1072227425 /nfs/dbraw/zinc/22/74/25/1072227425.db2.gz AEFGEPVVRMOQFF-OAGGEKHMSA-N 1 0 380.489 -0.222 20 0 GBADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001167091995 1072227834 /nfs/dbraw/zinc/22/78/34/1072227834.db2.gz BDSQVRTWKRDXCB-DZUCGIPZSA-N 1 0 380.489 -0.271 20 0 GBADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001167091997 1072227511 /nfs/dbraw/zinc/22/75/11/1072227511.db2.gz BDSQVRTWKRDXCB-SVGFKBNWSA-N 1 0 380.489 -0.271 20 0 GBADRO CNC(=O)C1CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001167092045 1072227567 /nfs/dbraw/zinc/22/75/67/1072227567.db2.gz CGNZJIDTFJTJGQ-OAGGEKHMSA-N 1 0 380.489 -0.366 20 0 GBADRO COCCCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001167092977 1072229567 /nfs/dbraw/zinc/22/95/67/1072229567.db2.gz JPEJMZCJLVULHO-KFWWJZLASA-N 1 0 377.507 -0.394 20 0 GBADRO C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CCC(C(N)=O)CC1 ZINC001167093517 1072230330 /nfs/dbraw/zinc/23/03/30/1072230330.db2.gz OHFCOIHNXKXUCO-MIGQKNRLSA-N 1 0 380.489 -0.238 20 0 GBADRO C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CCC(C(N)=O)CC1 ZINC001167093519 1072230444 /nfs/dbraw/zinc/23/04/44/1072230444.db2.gz OHFCOIHNXKXUCO-XZDPQHSOSA-N 1 0 380.489 -0.238 20 0 GBADRO CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C1CCS(=O)(=O)CC1 ZINC001167100678 1072239319 /nfs/dbraw/zinc/23/93/19/1072239319.db2.gz YIOGJTQONRDULN-UHFFFAOYSA-N 1 0 388.515 -0.418 20 0 GBADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167188302 1072272506 /nfs/dbraw/zinc/27/25/06/1072272506.db2.gz SLMNVXQKOVZPRE-NNQSOWQGSA-N 1 0 377.445 -0.100 20 0 GBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001167196754 1072273804 /nfs/dbraw/zinc/27/38/04/1072273804.db2.gz GLQRUNLILQXOKU-GFCCVEGCSA-N 1 0 381.458 -0.947 20 0 GBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001167196756 1072273232 /nfs/dbraw/zinc/27/32/32/1072273232.db2.gz GLQRUNLILQXOKU-LBPRGKRZSA-N 1 0 381.458 -0.947 20 0 GBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001167197739 1072274347 /nfs/dbraw/zinc/27/43/47/1072274347.db2.gz KNNMIHVDLGPWEC-CYBMUJFWSA-N 1 0 396.469 -0.226 20 0 GBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001167197740 1072274818 /nfs/dbraw/zinc/27/48/18/1072274818.db2.gz KNNMIHVDLGPWEC-ZDUSSCGKSA-N 1 0 396.469 -0.226 20 0 GBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001167200095 1072275636 /nfs/dbraw/zinc/27/56/36/1072275636.db2.gz URBFFNTXAJHRLK-GFCCVEGCSA-N 1 0 381.458 -0.947 20 0 GBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001167200096 1072275505 /nfs/dbraw/zinc/27/55/05/1072275505.db2.gz URBFFNTXAJHRLK-LBPRGKRZSA-N 1 0 381.458 -0.947 20 0 GBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001167200178 1072275411 /nfs/dbraw/zinc/27/54/11/1072275411.db2.gz WPZGBNFODWEGMG-JTQLQIEISA-N 1 0 386.861 -0.058 20 0 GBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001167200179 1072275674 /nfs/dbraw/zinc/27/56/74/1072275674.db2.gz WPZGBNFODWEGMG-SNVBAGLBSA-N 1 0 386.861 -0.058 20 0 GBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001167200496 1072275558 /nfs/dbraw/zinc/27/55/58/1072275558.db2.gz XCHMABVTSNJENA-JTQLQIEISA-N 1 0 386.861 -0.058 20 0 GBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001167200497 1072275463 /nfs/dbraw/zinc/27/54/63/1072275463.db2.gz XCHMABVTSNJENA-SNVBAGLBSA-N 1 0 386.861 -0.058 20 0 GBADRO CCOC(=O)[C@H]1NCCc2ncn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)c21 ZINC001167219941 1072278128 /nfs/dbraw/zinc/27/81/28/1072278128.db2.gz BRJKDPLINGPYOM-HNNXBMFYSA-N 1 0 399.455 -0.148 20 0 GBADRO CCOC(=O)[C@@H]1NCCc2ncn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)c21 ZINC001167219944 1072278014 /nfs/dbraw/zinc/27/80/14/1072278014.db2.gz BRJKDPLINGPYOM-OAHLLOKOSA-N 1 0 399.455 -0.148 20 0 GBADRO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)N1CCNC(=O)C1 ZINC001167285324 1072299941 /nfs/dbraw/zinc/29/99/41/1072299941.db2.gz QZBMMUWMXNGGMT-KFWWJZLASA-N 1 0 378.473 -0.612 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n2ccccc12 ZINC001167352090 1072421124 /nfs/dbraw/zinc/42/11/24/1072421124.db2.gz AWEUKCKGUTURFT-CYBMUJFWSA-N 1 0 393.469 -0.347 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n2ccccc12 ZINC001167352091 1072421091 /nfs/dbraw/zinc/42/10/91/1072421091.db2.gz AWEUKCKGUTURFT-ZDUSSCGKSA-N 1 0 393.469 -0.347 20 0 GBADRO NS(=O)(=O)c1ccc(OCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001167353248 1072421878 /nfs/dbraw/zinc/42/18/78/1072421878.db2.gz RQBXBIKTAMOESF-AWEZNQCLSA-N 1 0 383.470 -0.230 20 0 GBADRO NS(=O)(=O)c1ccc(OCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001167353250 1072421832 /nfs/dbraw/zinc/42/18/32/1072421832.db2.gz RQBXBIKTAMOESF-CQSZACIVSA-N 1 0 383.470 -0.230 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[C@@H]([NH+]4CCC4)C3)CC2=O)c1 ZINC001167473891 1072613446 /nfs/dbraw/zinc/61/34/46/1072613446.db2.gz RUMREUOLHJBDNT-DZGCQCFKSA-N 1 0 392.481 -0.007 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]([NH+]4CCC4)C3)CC2=O)c1 ZINC001167473892 1072613393 /nfs/dbraw/zinc/61/33/93/1072613393.db2.gz RUMREUOLHJBDNT-HIFRSBDPSA-N 1 0 392.481 -0.007 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]([NH+]4CCC4)C3)CC2=O)c1 ZINC001167473893 1072613505 /nfs/dbraw/zinc/61/35/05/1072613505.db2.gz RUMREUOLHJBDNT-UKRRQHHQSA-N 1 0 392.481 -0.007 20 0 GBADRO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[C@H]([NH+]4CCC4)C3)CC2=O)c1 ZINC001167473894 1072613421 /nfs/dbraw/zinc/61/34/21/1072613421.db2.gz RUMREUOLHJBDNT-ZFWWWQNUSA-N 1 0 392.481 -0.007 20 0 GBADRO COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)Nc1nn(C)c(=O)n(C)c1=O ZINC001167649078 1072426286 /nfs/dbraw/zinc/42/62/86/1072426286.db2.gz JFSRCAAAEWPZDX-SECBINFHSA-N 1 0 383.430 -0.822 20 0 GBADRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC001167673274 1072522805 /nfs/dbraw/zinc/52/28/05/1072522805.db2.gz STNUJGSUALWVIU-UHFFFAOYSA-N 1 0 377.474 -0.550 20 0 GBADRO Cc1ncc(C[NH3+])c(=N)n1-c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC001167673323 1072523699 /nfs/dbraw/zinc/52/36/99/1072523699.db2.gz VXGRWCGUFXDQNI-UHFFFAOYSA-N 1 0 377.474 -0.550 20 0 GBADRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001167677034 1072573371 /nfs/dbraw/zinc/57/33/71/1072573371.db2.gz GOLWKNUZPTXDCX-UHFFFAOYSA-N 1 0 392.420 -0.145 20 0 GBADRO Cn1c(=O)cc(Nc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)n(C)c1=O ZINC001167778090 1073431753 /nfs/dbraw/zinc/43/17/53/1073431753.db2.gz WRNHKAZWUBZSPR-UHFFFAOYSA-N 1 0 393.469 -0.142 20 0 GBADRO [NH3+]CCc1nnn(-c2ccc3c(c2)OCCOCCOCCOCCO3)n1 ZINC001167792091 1073546907 /nfs/dbraw/zinc/54/69/07/1073546907.db2.gz VAPZOXBDZGQSED-UHFFFAOYSA-N 1 0 379.417 -0.016 20 0 GBADRO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-n1nnc(CC[NH3+])n1 ZINC001167792955 1073548501 /nfs/dbraw/zinc/54/85/01/1073548501.db2.gz RIJPMKJFIGGJEL-UHFFFAOYSA-N 1 0 395.489 -0.502 20 0 GBADRO COC(=O)[C@@H](CCC[NH3+])Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC001167895823 1073694407 /nfs/dbraw/zinc/69/44/07/1073694407.db2.gz OCZKEOXVDDWWQU-CYBMUJFWSA-N 1 0 385.490 -0.144 20 0 GBADRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC001167896244 1073694740 /nfs/dbraw/zinc/69/47/40/1073694740.db2.gz QPDGVTAJLFUEHE-CQSZACIVSA-N 1 0 385.490 -0.290 20 0 GBADRO COC(=O)[C@@H](CCC[NH3+])Nc1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC001167896470 1073694530 /nfs/dbraw/zinc/69/45/30/1073694530.db2.gz WEUJBXIYNBZXNC-CYBMUJFWSA-N 1 0 385.490 -0.290 20 0 GBADRO C[C@H]([NH2+][C@H]1C[C@H]2C[C@H]2C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001167924030 1073924920 /nfs/dbraw/zinc/92/49/20/1073924920.db2.gz MULNPHOLPXKVGQ-JVCZHTPTSA-N 1 0 388.468 -0.202 20 0 GBADRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001167924031 1073925290 /nfs/dbraw/zinc/92/52/90/1073925290.db2.gz MULNPHOLPXKVGQ-LBYCQVNQSA-N 1 0 388.468 -0.202 20 0 GBADRO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC(CO)(CO)CO ZINC001167926331 1073930424 /nfs/dbraw/zinc/93/04/24/1073930424.db2.gz IOUFZUNPEWKUIS-CYBMUJFWSA-N 1 0 385.461 -0.685 20 0 GBADRO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC(CO)(CO)CO ZINC001167926334 1073930896 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LAOJXBYEJZQJGW-CNRFMZSYSA-N 1 0 392.500 -0.382 20 0 GBADRO CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001267812990 1073295508 /nfs/dbraw/zinc/29/55/08/1073295508.db2.gz LAOJXBYEJZQJGW-NTCWUJLTSA-N 1 0 392.500 -0.382 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001267995410 1073352977 /nfs/dbraw/zinc/35/29/77/1073352977.db2.gz JEPGABMEASUFOG-GZIXRCOHSA-N 1 0 378.473 -0.259 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001267995411 1073353134 /nfs/dbraw/zinc/35/31/34/1073353134.db2.gz JEPGABMEASUFOG-RPCCPQHDSA-N 1 0 378.473 -0.259 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C[NH2+]Cc1nnc2n1CCOC2 ZINC001267996126 1073354076 /nfs/dbraw/zinc/35/40/76/1073354076.db2.gz UORIJLQWIRRXIZ-AYMQEEERSA-N 1 0 379.461 -0.298 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C[NH2+]Cc1nnc2n1CCOC2 ZINC001267996127 1073353766 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CC1(C)NC(=O)N(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1=O ZINC001268306799 1073703521 /nfs/dbraw/zinc/70/35/21/1073703521.db2.gz DOZHOLXYURICOI-LXTVHRRPSA-N 1 0 378.473 -0.014 20 0 GBADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268313490 1073704866 /nfs/dbraw/zinc/70/48/66/1073704866.db2.gz CXCTWWJQLJLRGD-LNORHHCFSA-N 1 0 391.472 -0.534 20 0 GBADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268313491 1073705041 /nfs/dbraw/zinc/70/50/41/1073705041.db2.gz CXCTWWJQLJLRGD-YQBONMRBSA-N 1 0 391.472 -0.534 20 0 GBADRO CC1(C)NC(=O)N(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1=O ZINC001268315428 1073707379 /nfs/dbraw/zinc/70/73/79/1073707379.db2.gz WGANWESDJOQGBG-RFQIPJPRSA-N 1 0 382.461 -0.801 20 0 GBADRO CC1(C)NC(=O)N(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1=O ZINC001268315429 1073707524 /nfs/dbraw/zinc/70/75/24/1073707524.db2.gz WGANWESDJOQGBG-XDQVBPFNSA-N 1 0 382.461 -0.801 20 0 GBADRO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268315436 1073707391 /nfs/dbraw/zinc/70/73/91/1073707391.db2.gz WLICZONUROMSPA-RXSPXGNFSA-N 1 0 379.379 -0.503 20 0 GBADRO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268315447 1073707480 /nfs/dbraw/zinc/70/74/80/1073707480.db2.gz WLICZONUROMSPA-SSLNLQFTSA-N 1 0 379.379 -0.503 20 0 GBADRO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cccs1 ZINC001268315856 1073708422 /nfs/dbraw/zinc/70/84/22/1073708422.db2.gz YXNYYWYQSFTLJO-SSLCOKDMSA-N 1 0 379.482 -0.146 20 0 GBADRO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cccs1 ZINC001268315857 1073708256 /nfs/dbraw/zinc/70/82/56/1073708256.db2.gz YXNYYWYQSFTLJO-UFZZPABASA-N 1 0 379.482 -0.146 20 0 GBADRO NC(=O)c1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC001268316621 1073709180 /nfs/dbraw/zinc/70/91/80/1073709180.db2.gz IAOYEATUXGPFGI-LUKYLMHMSA-N 1 0 377.441 -0.596 20 0 GBADRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC001268316623 1073709602 /nfs/dbraw/zinc/70/96/02/1073709602.db2.gz IAOYEATUXGPFGI-VVLHAWIVSA-N 1 0 377.441 -0.596 20 0 GBADRO Cn1c(=O)cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n(C)c1=O ZINC001268316668 1073709230 /nfs/dbraw/zinc/70/92/30/1073709230.db2.gz IKAHJTLBDDKDFG-DRPJVOAASA-N 1 0 378.473 -0.523 20 0 GBADRO Cn1c(=O)cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n(C)c1=O ZINC001268316669 1073709563 /nfs/dbraw/zinc/70/95/63/1073709563.db2.gz IKAHJTLBDDKDFG-QCEMKRCNSA-N 1 0 378.473 -0.523 20 0 GBADRO Cc1cc(NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)no1 ZINC001268319235 1073709326 /nfs/dbraw/zinc/70/93/26/1073709326.db2.gz VXIDQOAOQIAROC-RSUWNVLCSA-N 1 0 382.417 -0.960 20 0 GBADRO Cc1cc(NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)no1 ZINC001268319237 1073709252 /nfs/dbraw/zinc/70/92/52/1073709252.db2.gz VXIDQOAOQIAROC-WFGGJUAMSA-N 1 0 382.417 -0.960 20 0 GBADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268323117 1073710313 /nfs/dbraw/zinc/71/03/13/1073710313.db2.gz WCACSZPUAUNGFL-TUVASFSCSA-N 1 0 379.461 -0.390 20 0 GBADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268323118 1073710670 /nfs/dbraw/zinc/71/06/70/1073710670.db2.gz WCACSZPUAUNGFL-YJNKXOJESA-N 1 0 379.461 -0.390 20 0 GBADRO C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268385770 1073747337 /nfs/dbraw/zinc/74/73/37/1073747337.db2.gz ILNORGLEIDPREM-ORIJERBGSA-N 1 0 382.461 -0.536 20 0 GBADRO C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268385777 1073747450 /nfs/dbraw/zinc/74/74/50/1073747450.db2.gz ILNORGLEIDPREM-RZLSGREXSA-N 1 0 382.461 -0.536 20 0 GBADRO CCN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268468180 1073857485 /nfs/dbraw/zinc/85/74/85/1073857485.db2.gz ALRZCUCSMQONHD-OCABDXPQSA-N 1 0 392.500 -0.428 20 0 GBADRO CCN(CC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268470590 1073861805 /nfs/dbraw/zinc/86/18/05/1073861805.db2.gz NRWWWDREDRHHMX-CNRFMZSYSA-N 1 0 392.500 -0.428 20 0 GBADRO CCN(CC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268470593 1073861112 /nfs/dbraw/zinc/86/11/12/1073861112.db2.gz NRWWWDREDRHHMX-NTCWUJLTSA-N 1 0 392.500 -0.428 20 0 GBADRO CCN(CC[NH2+]CC(=O)N1CCC(C(N)=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268480552 1073865735 /nfs/dbraw/zinc/86/57/35/1073865735.db2.gz JOBBHOFIGBPXPZ-OAGGEKHMSA-N 1 0 380.489 -0.284 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268570215 1073919394 /nfs/dbraw/zinc/91/93/94/1073919394.db2.gz PVLVLANQKFYIAN-MSSIXQIISA-N 1 0 390.484 -0.638 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268570217 1073919258 /nfs/dbraw/zinc/91/92/58/1073919258.db2.gz PVLVLANQKFYIAN-VOLKWQCKSA-N 1 0 390.484 -0.638 20 0 GBADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268594598 1073942136 /nfs/dbraw/zinc/94/21/36/1073942136.db2.gz RHHAUSAAHBJDAR-RUFGBCQQSA-N 1 0 380.489 -0.153 20 0 GBADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268594599 1073942454 /nfs/dbraw/zinc/94/24/54/1073942454.db2.gz RHHAUSAAHBJDAR-SXEWGOIYSA-N 1 0 380.489 -0.153 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(=O)NC(C)(C)C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268654833 1073975233 /nfs/dbraw/zinc/97/52/33/1073975233.db2.gz NEYRFBFEEBJWFZ-XJIUQZFPSA-N 1 0 382.505 -0.073 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268654890 1073975984 /nfs/dbraw/zinc/97/59/84/1073975984.db2.gz PQWAWDPDPIHWBO-WFTXNEMLSA-N 1 0 380.489 -0.465 20 0 GBADRO CNC(=O)C1CCN(C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001268664022 1073977729 /nfs/dbraw/zinc/97/77/29/1073977729.db2.gz WDYIWGQXZNFGFV-MIGQKNRLSA-N 1 0 380.489 -0.367 20 0 GBADRO CN(CCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268807497 1072173019 /nfs/dbraw/zinc/17/30/19/1072173019.db2.gz CCMFTXPUCWUJCV-JLJPHGGASA-N 1 0 378.473 -0.163 20 0 GBADRO CN(CCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268807641 1072174012 /nfs/dbraw/zinc/17/40/12/1072174012.db2.gz FWUUMPWMPBHHCF-NMNMXBMNSA-N 1 0 376.457 -0.555 20 0 GBADRO O=C(C[NH2+]C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1)N1CCNC(=O)C1 ZINC001269093616 1072315897 /nfs/dbraw/zinc/31/58/97/1072315897.db2.gz ADYOCJVKCMNTEF-OIPACUDHSA-N 1 0 378.473 -0.756 20 0 GBADRO O=C(C[NH2+]C[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1)N1CCNC(=O)C1 ZINC001269093617 1072316547 /nfs/dbraw/zinc/31/65/47/1072316547.db2.gz ADYOCJVKCMNTEF-YRBFXIGRSA-N 1 0 378.473 -0.756 20 0 GBADRO CC1(C)NC(=O)N(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC001269454953 1072498333 /nfs/dbraw/zinc/49/83/33/1072498333.db2.gz CAEMLTGRAHTAND-BJJPWKGXSA-N 1 0 376.457 -0.021 20 0 GBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269455110 1072498352 /nfs/dbraw/zinc/49/83/52/1072498352.db2.gz DJKSCALTHHPERF-HLUFSKSISA-N 1 0 390.484 -0.628 20 0 GBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269455111 1072498437 /nfs/dbraw/zinc/49/84/37/1072498437.db2.gz DJKSCALTHHPERF-UZVBGSJOSA-N 1 0 390.484 -0.628 20 0 GBADRO Cn1c(C[NH2+]C2(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc(=O)n(C)c1=O ZINC001269455179 1072499153 /nfs/dbraw/zinc/49/91/53/1072499153.db2.gz FIGNIVQRTWLNQH-DUVNUKRYSA-N 1 0 376.457 -0.363 20 0 GBADRO NC(=O)C1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC001269455301 1072499227 /nfs/dbraw/zinc/49/92/27/1072499227.db2.gz GYTFMJAYWUSVLC-NMNMXBMNSA-N 1 0 390.484 -0.628 20 0 GBADRO CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001269460799 1072501247 /nfs/dbraw/zinc/50/12/47/1072501247.db2.gz XVROBKJRRLLKFB-KCQAQPDRSA-N 1 0 382.461 -0.488 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC001269563868 1072576920 /nfs/dbraw/zinc/57/69/20/1072576920.db2.gz OUQFUPNIVXQGBS-KCQAQPDRSA-N 1 0 382.461 -0.488 20 0 GBADRO CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001269897948 1072662284 /nfs/dbraw/zinc/66/22/84/1072662284.db2.gz KQGXMXKHTZQLFO-KFWWJZLASA-N 1 0 382.530 -0.087 20 0 GBADRO CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001269897949 1072662661 /nfs/dbraw/zinc/66/26/61/1072662661.db2.gz KQGXMXKHTZQLFO-KKUMJFAQSA-N 1 0 382.530 -0.087 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CC1 ZINC001269941832 1072688391 /nfs/dbraw/zinc/68/83/91/1072688391.db2.gz KLRCOTHRMMCFGZ-CABCVRRESA-N 1 0 383.514 -0.035 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CC1 ZINC001269941834 1072688498 /nfs/dbraw/zinc/68/84/98/1072688498.db2.gz KLRCOTHRMMCFGZ-GJZGRUSLSA-N 1 0 383.514 -0.035 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)[C@H]2CCCS2(=O)=O)C3)CC1 ZINC001269941836 1072688408 /nfs/dbraw/zinc/68/84/08/1072688408.db2.gz KLRCOTHRMMCFGZ-HUUCEWRRSA-N 1 0 383.514 -0.035 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)[C@H]2CCCS2(=O)=O)C3)CC1 ZINC001269941837 1072688513 /nfs/dbraw/zinc/68/85/13/1072688513.db2.gz KLRCOTHRMMCFGZ-LSDHHAIUSA-N 1 0 383.514 -0.035 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)CC1 ZINC001269942985 1072689734 /nfs/dbraw/zinc/68/97/34/1072689734.db2.gz ZYHGCWXCUBQLQE-DDUZABMNSA-N 1 0 383.514 -0.035 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CC1 ZINC001269942986 1072689721 /nfs/dbraw/zinc/68/97/21/1072689721.db2.gz ZYHGCWXCUBQLQE-QIIPPGSGSA-N 1 0 383.514 -0.035 20 0 GBADRO CSCCC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001269975630 1072699721 /nfs/dbraw/zinc/69/97/21/1072699721.db2.gz ZXVTYRGHQGCALC-KBPBESRZSA-N 1 0 382.530 -0.133 20 0 GBADRO CSCCC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001269975631 1072699535 /nfs/dbraw/zinc/69/95/35/1072699535.db2.gz ZXVTYRGHQGCALC-ZIAGYGMSSA-N 1 0 382.530 -0.133 20 0 GBADRO CN(CC(=O)N1CCCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)C1)C(N)=[NH2+] ZINC001269992983 1072706385 /nfs/dbraw/zinc/70/63/85/1072706385.db2.gz BGBUAIOGNJHCJC-UHFFFAOYSA-N 1 0 381.868 -0.187 20 0 GBADRO CN(CC(=O)N1CCC2(CN(C(=O)Cn3cc(Cl)cn3)C2)CC1)C(N)=[NH2+] ZINC001269992988 1072706141 /nfs/dbraw/zinc/70/61/41/1072706141.db2.gz BIEGPSGYKKKKPH-UHFFFAOYSA-N 1 0 381.868 -0.187 20 0 GBADRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)C(=O)NC(N)=O ZINC001270005335 1072715706 /nfs/dbraw/zinc/71/57/06/1072715706.db2.gz VJAIUYGMTHZNEB-WCBJTDJXSA-N 1 0 382.461 -0.362 20 0 GBADRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)C(=O)NC(N)=O ZINC001270005337 1072715120 /nfs/dbraw/zinc/71/51/20/1072715120.db2.gz VJAIUYGMTHZNEB-ZAQNNHEOSA-N 1 0 382.461 -0.362 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)[C@H]2CCC(=O)N2)C3)CC1 ZINC001270031899 1072724131 /nfs/dbraw/zinc/72/41/31/1072724131.db2.gz NUVLZVSWFQPSLW-UONOGXRCSA-N 1 0 380.514 -0.191 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)[C@H]2CCC(=O)N2)C3)CC1 ZINC001270031900 1072724017 /nfs/dbraw/zinc/72/40/17/1072724017.db2.gz NUVLZVSWFQPSLW-ZIAGYGMSSA-N 1 0 380.514 -0.191 20 0 GBADRO CSCC[C@H](NC(C)=O)C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001270044825 1072727500 /nfs/dbraw/zinc/72/75/00/1072727500.db2.gz HEYREJBMACCMOR-AWEZNQCLSA-N 1 0 386.518 -0.754 20 0 GBADRO CSCC[C@H](NC(C)=O)C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270045730 1072728500 /nfs/dbraw/zinc/72/85/00/1072728500.db2.gz XJJMBDSHGUGUQJ-AWEZNQCLSA-N 1 0 386.518 -0.754 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)C2(C(N)=O)CC2)C3)CC1 ZINC001270047004 1072729367 /nfs/dbraw/zinc/72/93/67/1072729367.db2.gz XDFOOTBJOWJGPG-CYBMUJFWSA-N 1 0 380.514 -0.204 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)C2(C(N)=O)CC2)C3)CC1 ZINC001270047005 1072728828 /nfs/dbraw/zinc/72/88/28/1072728828.db2.gz XDFOOTBJOWJGPG-ZDUSSCGKSA-N 1 0 380.514 -0.204 20 0 GBADRO C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@@H]2C(=O)N1CCn2cnnc2C1 ZINC001270059911 1072733569 /nfs/dbraw/zinc/73/35/69/1072733569.db2.gz APFGLMXXFFYKEE-CYBMUJFWSA-N 1 0 378.502 -0.094 20 0 GBADRO C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@H]2C(=O)N1CCn2cnnc2C1 ZINC001270059912 1072733245 /nfs/dbraw/zinc/73/32/45/1072733245.db2.gz APFGLMXXFFYKEE-ZDUSSCGKSA-N 1 0 378.502 -0.094 20 0 GBADRO C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCCS(C)(=O)=O ZINC001270059930 1072733471 /nfs/dbraw/zinc/73/34/71/1072733471.db2.gz BLOWAESRLXRDLO-GFCCVEGCSA-N 1 0 377.532 -0.567 20 0 GBADRO C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@H]2C(=O)NCCS(C)(=O)=O ZINC001270059931 1072733990 /nfs/dbraw/zinc/73/39/90/1072733990.db2.gz BLOWAESRLXRDLO-LBPRGKRZSA-N 1 0 377.532 -0.567 20 0 GBADRO C[NH+](C)CCC(=O)N1CC[C@@H](C(=O)NCCS(C)(=O)=O)n2nccc2C1 ZINC001270060012 1072733962 /nfs/dbraw/zinc/73/39/62/1072733962.db2.gz CWFSGFACDRAMCK-AWEZNQCLSA-N 1 0 385.490 -0.731 20 0 GBADRO C[NH+](C)CCC(=O)N1CC[C@H](C(=O)NCCS(C)(=O)=O)n2nccc2C1 ZINC001270060014 1072733795 /nfs/dbraw/zinc/73/37/95/1072733795.db2.gz CWFSGFACDRAMCK-CQSZACIVSA-N 1 0 385.490 -0.731 20 0 GBADRO C[NH+](C)CCC(=O)N1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NCCS(C)(=O)=O)C1 ZINC001270060916 1072733889 /nfs/dbraw/zinc/73/38/89/1072733889.db2.gz JRSAWDMUJJBSRX-IJEWVQPXSA-N 1 0 389.518 -0.648 20 0 GBADRO C[NH+](C)CCC(=O)N1CCc2nc(C(=O)NCCS(C)(=O)=O)ccc2C1 ZINC001270060991 1072734603 /nfs/dbraw/zinc/73/46/03/1072734603.db2.gz KNSFOXITTARIDD-UHFFFAOYSA-N 1 0 382.486 -0.308 20 0 GBADRO C[NH+](C)CCC(=O)N1Cc2ccnn2CC[C@H]1C(=O)NCCS(C)(=O)=O ZINC001270061341 1072734268 /nfs/dbraw/zinc/73/42/68/1072734268.db2.gz MPEKJJJIPWWKDK-AWEZNQCLSA-N 1 0 385.490 -0.904 20 0 GBADRO C[NH+](C)CCC(=O)N1Cc2ccnn2CC[C@@H]1C(=O)NCCS(C)(=O)=O ZINC001270061342 1072734751 /nfs/dbraw/zinc/73/47/51/1072734751.db2.gz MPEKJJJIPWWKDK-CQSZACIVSA-N 1 0 385.490 -0.904 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1[nH]nc2c1CN(C(=O)C[NH+]1CCCCC1)C2 ZINC001270061372 1072734515 /nfs/dbraw/zinc/73/45/15/1072734515.db2.gz HCHOWPPYEROHEK-UHFFFAOYSA-N 1 0 383.474 -0.488 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CN(C(=O)C[NH+]3CCCCC3)C2)O1 ZINC001270061473 1072734664 /nfs/dbraw/zinc/73/46/64/1072734664.db2.gz IJSVNUMYNPOLBE-AWEZNQCLSA-N 1 0 387.502 -0.607 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1CCC2(CN(C(=O)C[NH+]3CCCCC3)C2)O1 ZINC001270061474 1072734586 /nfs/dbraw/zinc/73/45/86/1072734586.db2.gz IJSVNUMYNPOLBE-CQSZACIVSA-N 1 0 387.502 -0.607 20 0 GBADRO Cn1nnnc1NC(=O)[C@H]1CCSC12CN(C(=O)C[NH+]1CCCCC1)C2 ZINC001270061603 1072735518 /nfs/dbraw/zinc/73/55/18/1072735518.db2.gz LEYWJIKVZJIGMO-GFCCVEGCSA-N 1 0 379.490 -0.031 20 0 GBADRO Cn1nnnc1NC(=O)[C@@H]1CCSC12CN(C(=O)C[NH+]1CCCCC1)C2 ZINC001270061604 1072735561 /nfs/dbraw/zinc/73/55/61/1072735561.db2.gz LEYWJIKVZJIGMO-LBPRGKRZSA-N 1 0 379.490 -0.031 20 0 GBADRO C[C@@H]1c2nc(C(=O)NCCS(C)(=O)=O)cn2CCN1C(=O)CC[NH+](C)C ZINC001270062089 1072735227 /nfs/dbraw/zinc/73/52/27/1072735227.db2.gz XAPXHITZSTXOPU-GFCCVEGCSA-N 1 0 385.490 -0.488 20 0 GBADRO C[C@H]1c2nc(C(=O)NCCS(C)(=O)=O)cn2CCN1C(=O)CC[NH+](C)C ZINC001270062090 1072735428 /nfs/dbraw/zinc/73/54/28/1072735428.db2.gz XAPXHITZSTXOPU-LBPRGKRZSA-N 1 0 385.490 -0.488 20 0 GBADRO C[NH+](C)CCC(=O)N1C[C@H]2C[C@H](CC(=O)NCCS(C)(=O)=O)O[C@H]2C1 ZINC001270062372 1072734566 /nfs/dbraw/zinc/73/45/66/1072734566.db2.gz XYRIRLOGYWAKRN-MCIONIFRSA-N 1 0 375.491 -0.895 20 0 GBADRO C[NH+](C)CCC(=O)N1C[C@H]2C[C@@H](CC(=O)NCCS(C)(=O)=O)O[C@H]2C1 ZINC001270062373 1072734251 /nfs/dbraw/zinc/73/42/51/1072734251.db2.gz XYRIRLOGYWAKRN-RDBSUJKOSA-N 1 0 375.491 -0.895 20 0 GBADRO CN(C)C(=O)C(=O)N1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001270075113 1072740408 /nfs/dbraw/zinc/74/04/08/1072740408.db2.gz NHECJLPFTBKWGI-AWEZNQCLSA-N 1 0 382.530 -0.039 20 0 GBADRO CN(C)C(=O)C(=O)N1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001270075114 1072740516 /nfs/dbraw/zinc/74/05/16/1072740516.db2.gz NHECJLPFTBKWGI-CQSZACIVSA-N 1 0 382.530 -0.039 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1COCCC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270094984 1072748111 /nfs/dbraw/zinc/74/81/11/1072748111.db2.gz FREFEVDJVXLZSL-AWEZNQCLSA-N 1 0 387.502 -0.892 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1COCCC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270094985 1072749509 /nfs/dbraw/zinc/74/95/09/1072749509.db2.gz FREFEVDJVXLZSL-CQSZACIVSA-N 1 0 387.502 -0.892 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1cc2c([nH]1)CN(C(=O)C[NH+]1CCCC1)CC2 ZINC001270095019 1072749583 /nfs/dbraw/zinc/74/95/83/1072749583.db2.gz GZCRDVTXYZOQHT-UHFFFAOYSA-N 1 0 382.486 -0.230 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1noc2c1CN(C(=O)C[NH+]1CCCC1)CC2 ZINC001270095271 1072749566 /nfs/dbraw/zinc/74/95/66/1072749566.db2.gz IVUHWHFVOBHCSU-UHFFFAOYSA-N 1 0 384.458 -0.571 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1cn2c(n1)CN(C(=O)C[NH+]1CCCC1)CC2 ZINC001270095622 1072748279 /nfs/dbraw/zinc/74/82/79/1072748279.db2.gz LZTXDZNHNYZKTQ-UHFFFAOYSA-N 1 0 383.474 -0.905 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CC2(C1)SCC[C@H]2C(=O)NCCn1ccnn1 ZINC001270095888 1072748457 /nfs/dbraw/zinc/74/84/57/1072748457.db2.gz PDZXTZXSEYIIGG-AWEZNQCLSA-N 1 0 378.502 -0.176 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CC2(C1)SCC[C@@H]2C(=O)NCCn1ccnn1 ZINC001270095891 1072748357 /nfs/dbraw/zinc/74/83/57/1072748357.db2.gz PDZXTZXSEYIIGG-CQSZACIVSA-N 1 0 378.502 -0.176 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1cnc2n1CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001270095895 1072748340 /nfs/dbraw/zinc/74/83/40/1072748340.db2.gz PEFNHEUGXIQEBI-UHFFFAOYSA-N 1 0 383.474 -0.905 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1CCSC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096119 1072748180 /nfs/dbraw/zinc/74/81/80/1072748180.db2.gz QSNMHHIDOVUAFU-CYBMUJFWSA-N 1 0 389.543 -0.423 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1CCSC12CN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096120 1072748708 /nfs/dbraw/zinc/74/87/08/1072748708.db2.gz QSNMHHIDOVUAFU-ZDUSSCGKSA-N 1 0 389.543 -0.423 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1[nH]nc2c1CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096131 1072748548 /nfs/dbraw/zinc/74/85/48/1072748548.db2.gz QZZFYDRYRHGECU-UHFFFAOYSA-N 1 0 383.474 -0.835 20 0 GBADRO CS(=O)(=O)CCNC(=O)C[C@@H]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O1 ZINC001270096153 1072748601 /nfs/dbraw/zinc/74/86/01/1072748601.db2.gz RNNRDVILZCXBBT-ILXRZTDVSA-N 1 0 387.502 -0.751 20 0 GBADRO CS(=O)(=O)CCNC(=O)C[C@H]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O1 ZINC001270096154 1072748442 /nfs/dbraw/zinc/74/84/42/1072748442.db2.gz RNNRDVILZCXBBT-KFWWJZLASA-N 1 0 387.502 -0.751 20 0 GBADRO CS(=O)(=O)CCNC(=O)c1[nH]nc2c1CN(C(=O)C[NH+]1CCCC1)CC2 ZINC001270096431 1072748649 /nfs/dbraw/zinc/74/86/49/1072748649.db2.gz UHSOGWKCSXRMTK-UHFFFAOYSA-N 1 0 383.474 -0.835 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001270097295 1072749201 /nfs/dbraw/zinc/74/92/01/1072749201.db2.gz AOSLVZJKHYFILD-HLUFSKSISA-N 1 0 376.457 -0.068 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H]1C[NH2+]CCCN1C(=O)CNC1=O ZINC001270097296 1072749073 /nfs/dbraw/zinc/74/90/73/1072749073.db2.gz AOSLVZJKHYFILD-UZVBGSJOSA-N 1 0 376.457 -0.068 20 0 GBADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)NC1CC1 ZINC001270098066 1072749225 /nfs/dbraw/zinc/74/92/25/1072749225.db2.gz JXJGRUHIKMDPDN-HLUFSKSISA-N 1 0 376.457 -0.021 20 0 GBADRO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)NC1CC1 ZINC001270098067 1072749329 /nfs/dbraw/zinc/74/93/29/1072749329.db2.gz JXJGRUHIKMDPDN-UZVBGSJOSA-N 1 0 376.457 -0.021 20 0 GBADRO O=C(C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001270098510 1072750240 /nfs/dbraw/zinc/75/02/40/1072750240.db2.gz SLTLYDKTRBOVIL-JTOWHCCKSA-N 1 0 378.473 -0.660 20 0 GBADRO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001270098511 1072750496 /nfs/dbraw/zinc/75/04/96/1072750496.db2.gz SLTLYDKTRBOVIL-YRBFXIGRSA-N 1 0 378.473 -0.660 20 0 GBADRO Cn1nnnc1NC(=O)[C@H]1CCSC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270098945 1072750182 /nfs/dbraw/zinc/75/01/82/1072750182.db2.gz JCCILDFYHGQSNK-GFCCVEGCSA-N 1 0 379.490 -0.176 20 0 GBADRO Cn1nnnc1NC(=O)[C@@H]1CCSC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270098946 1072750549 /nfs/dbraw/zinc/75/05/49/1072750549.db2.gz JCCILDFYHGQSNK-LBPRGKRZSA-N 1 0 379.490 -0.176 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)CC1 ZINC001270101642 1072750224 /nfs/dbraw/zinc/75/02/24/1072750224.db2.gz ZDCRNXDMTZSPDO-GXTWGEPZSA-N 1 0 380.514 -0.333 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)CC1 ZINC001270101645 1072750363 /nfs/dbraw/zinc/75/03/63/1072750363.db2.gz ZDCRNXDMTZSPDO-JSGCOSHPSA-N 1 0 380.514 -0.333 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)[C@H]2CNC(=O)C2)C3)CC1 ZINC001270101648 1072750512 /nfs/dbraw/zinc/75/05/12/1072750512.db2.gz ZDCRNXDMTZSPDO-OCCSQVGLSA-N 1 0 380.514 -0.333 20 0 GBADRO C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)[C@H]2CNC(=O)C2)C3)CC1 ZINC001270101652 1072750110 /nfs/dbraw/zinc/75/01/10/1072750110.db2.gz ZDCRNXDMTZSPDO-TZMCWYRMSA-N 1 0 380.514 -0.333 20 0 GBADRO CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270102573 1072751120 /nfs/dbraw/zinc/75/11/20/1072751120.db2.gz OJAPQIFALDKMIJ-AWEZNQCLSA-N 1 0 382.530 -0.133 20 0 GBADRO CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001270102575 1072751227 /nfs/dbraw/zinc/75/12/27/1072751227.db2.gz OJAPQIFALDKMIJ-CQSZACIVSA-N 1 0 382.530 -0.133 20 0 GBADRO C[NH+]1CCC(C(=O)N2CC3(C2)CC[C@@H](C(=O)NCCS(C)(=O)=O)O3)CC1 ZINC001270102961 1072750935 /nfs/dbraw/zinc/75/09/35/1072750935.db2.gz SWOZNAQSOHCFCP-AWEZNQCLSA-N 1 0 387.502 -0.751 20 0 GBADRO C[NH+]1CCC(C(=O)N2CC3(C2)CC[C@H](C(=O)NCCS(C)(=O)=O)O3)CC1 ZINC001270102962 1072750902 /nfs/dbraw/zinc/75/09/02/1072750902.db2.gz SWOZNAQSOHCFCP-CQSZACIVSA-N 1 0 387.502 -0.751 20 0 GBADRO C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCCS(C)(=O)=O)CC1 ZINC001270103199 1072751398 /nfs/dbraw/zinc/75/13/98/1072751398.db2.gz XZAFOFIOPNPQCG-MUJYYYPQSA-N 1 0 385.530 -0.026 20 0 GBADRO C[NH+]1CCC(C(=O)N2Cc3n[nH]c(C(=O)NCCS(C)(=O)=O)c3C2)CC1 ZINC001270103226 1072751431 /nfs/dbraw/zinc/75/14/31/1072751431.db2.gz YTPLVJXPTYNYGB-UHFFFAOYSA-N 1 0 383.474 -0.632 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001270132164 1072765004 /nfs/dbraw/zinc/76/50/04/1072765004.db2.gz BTAYGEJZYJTFTG-CXAGYDPISA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001270132853 1072764367 /nfs/dbraw/zinc/76/43/67/1072764367.db2.gz KRWFXQZZMIEHGB-AWEZNQCLSA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001270132854 1072764421 /nfs/dbraw/zinc/76/44/21/1072764421.db2.gz KRWFXQZZMIEHGB-CQSZACIVSA-N 1 0 376.438 -0.043 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)OCC1=O ZINC001270154904 1072772033 /nfs/dbraw/zinc/77/20/33/1072772033.db2.gz BIFFQOJXCORAGS-WMLDXEAASA-N 1 0 387.502 -0.655 20 0 GBADRO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)OCC1=O ZINC001270154911 1072771797 /nfs/dbraw/zinc/77/17/97/1072771797.db2.gz BIFFQOJXCORAGS-YOEHRIQHSA-N 1 0 387.502 -0.655 20 0 GBADRO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001270162875 1072774415 /nfs/dbraw/zinc/77/44/15/1072774415.db2.gz JGROUYIQTVGUGY-AXFHLTTASA-N 1 0 378.351 -0.161 20 0 GBADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)COCC(F)(F)C(F)F)C2 ZINC001270171884 1072778360 /nfs/dbraw/zinc/77/83/60/1072778360.db2.gz PUJZPUSQTCYRFP-UHFFFAOYSA-N 1 0 385.358 -0.095 20 0 GBADRO C[NH+](C)CCN1CC2(CN(C(=O)COCC(F)(F)C(F)F)C2)OCC1=O ZINC001270172685 1072781658 /nfs/dbraw/zinc/78/16/58/1072781658.db2.gz WFYRLUVUOUWMGO-UHFFFAOYSA-N 1 0 385.358 -0.095 20 0 GBADRO CC[N@H+](C)CC(=O)N1C[C@@]2(F)C(=O)N([C@@H](COC)C(=O)OC)C[C@@]2(F)C1 ZINC001270175868 1072783394 /nfs/dbraw/zinc/78/33/94/1072783394.db2.gz NEJCTFLWMPVHKD-KNXALSJPSA-N 1 0 377.388 -0.773 20 0 GBADRO CC[N@H+](C)CC(=O)N1C[C@@]2(F)C(=O)N([C@H](COC)C(=O)OC)C[C@@]2(F)C1 ZINC001270175869 1072783561 /nfs/dbraw/zinc/78/35/61/1072783561.db2.gz NEJCTFLWMPVHKD-XFBWCDHKSA-N 1 0 377.388 -0.773 20 0 GBADRO CC[N@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(CCS(=O)(=O)CC)C2=O)C1 ZINC001270179267 1072785991 /nfs/dbraw/zinc/78/59/91/1072785991.db2.gz JUBUTDVVULBLNV-KRWDZBQOSA-N 1 0 387.502 -0.260 20 0 GBADRO CC[N@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(CCS(=O)(=O)CC)C2=O)C1 ZINC001270179268 1072786050 /nfs/dbraw/zinc/78/60/50/1072786050.db2.gz JUBUTDVVULBLNV-QGZVFWFLSA-N 1 0 387.502 -0.260 20 0 GBADRO CC[N@H+](C)CC(=O)N1CC[C@]2(C1)CN(CCS(=O)(=O)CC)C(=O)CO2 ZINC001270179624 1072786183 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C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)C1=O ZINC001270369496 1072899996 /nfs/dbraw/zinc/89/99/96/1072899996.db2.gz BSCIHYDJXFTRTE-YOEHRIQHSA-N 1 0 386.518 -0.577 20 0 GBADRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001270370732 1072900341 /nfs/dbraw/zinc/90/03/41/1072900341.db2.gz KSTKSWYFBCNZLQ-KFWWJZLASA-N 1 0 386.518 -0.436 20 0 GBADRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001270370733 1072900306 /nfs/dbraw/zinc/90/03/06/1072900306.db2.gz KSTKSWYFBCNZLQ-RBSFLKMASA-N 1 0 386.518 -0.436 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1cccn3cncc13)C2 ZINC001270393575 1072912778 /nfs/dbraw/zinc/91/27/78/1072912778.db2.gz VBIAUFYHKUYQEA-CYBMUJFWSA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1cccn3cncc13)C2 ZINC001270393576 1072912693 /nfs/dbraw/zinc/91/26/93/1072912693.db2.gz VBIAUFYHKUYQEA-ZDUSSCGKSA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001270399986 1072914987 /nfs/dbraw/zinc/91/49/87/1072914987.db2.gz CLYOASXGGPHHEB-CXAGYDPISA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001270401343 1072915446 /nfs/dbraw/zinc/91/54/46/1072915446.db2.gz YSSMSRPJDBENSH-AWEZNQCLSA-N 1 0 376.438 -0.043 20 0 GBADRO CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001270401345 1072915412 /nfs/dbraw/zinc/91/54/12/1072915412.db2.gz YSSMSRPJDBENSH-CQSZACIVSA-N 1 0 376.438 -0.043 20 0 GBADRO NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCCC1 ZINC001270421621 1072924252 /nfs/dbraw/zinc/92/42/52/1072924252.db2.gz GOZVPJMVHHTUTR-RZLSGREXSA-N 1 0 382.461 -0.503 20 0 GBADRO NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCCC1 ZINC001270421622 1072924158 /nfs/dbraw/zinc/92/41/58/1072924158.db2.gz GOZVPJMVHHTUTR-TTZDDIAXSA-N 1 0 382.461 -0.503 20 0 GBADRO CSCC(=O)N1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001270422469 1072924383 /nfs/dbraw/zinc/92/43/83/1072924383.db2.gz CVOROMHNDVHSHK-GOSISDBHSA-N 1 0 384.546 -0.183 20 0 GBADRO CSCC(=O)N1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001270422471 1072923957 /nfs/dbraw/zinc/92/39/57/1072923957.db2.gz CVOROMHNDVHSHK-SFHVURJKSA-N 1 0 384.546 -0.183 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001270460926 1072936425 /nfs/dbraw/zinc/93/64/25/1072936425.db2.gz RVZGPYYPHHQZLM-GNRYUNBRSA-N 1 0 392.500 -0.510 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001270460927 1072936793 /nfs/dbraw/zinc/93/67/93/1072936793.db2.gz RVZGPYYPHHQZLM-TVRAHDOYSA-N 1 0 392.500 -0.510 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270475198 1072941549 /nfs/dbraw/zinc/94/15/49/1072941549.db2.gz KRYIRSJXSZVVSV-PXAZEXFGSA-N 1 0 382.486 -0.853 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270475199 1072942473 /nfs/dbraw/zinc/94/24/73/1072942473.db2.gz KRYIRSJXSZVVSV-SJCJKPOMSA-N 1 0 382.486 -0.853 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270475200 1072942421 /nfs/dbraw/zinc/94/24/21/1072942421.db2.gz KRYIRSJXSZVVSV-SJKOYZFVSA-N 1 0 382.486 -0.853 20 0 GBADRO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270475201 1072942467 /nfs/dbraw/zinc/94/24/67/1072942467.db2.gz KRYIRSJXSZVVSV-YVEFUNNKSA-N 1 0 382.486 -0.853 20 0 GBADRO Cn1cncc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CSCC(=O)N2)C1=O ZINC001270478857 1072946818 /nfs/dbraw/zinc/94/68/18/1072946818.db2.gz HEVKSBGJFGKBEY-CXAGYDPISA-N 1 0 377.470 -0.255 20 0 GBADRO Cn1cncc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2CSCC(=O)N2)C1=O ZINC001270478858 1072946834 /nfs/dbraw/zinc/94/68/34/1072946834.db2.gz HEVKSBGJFGKBEY-DYVFJYSZSA-N 1 0 377.470 -0.255 20 0 GBADRO Cn1cncc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CSCC(=O)N2)C1=O ZINC001270478859 1072946707 /nfs/dbraw/zinc/94/67/07/1072946707.db2.gz HEVKSBGJFGKBEY-GUYCJALGSA-N 1 0 377.470 -0.255 20 0 GBADRO Cn1cncc1CN1CC[C@]2(CCCN2C(=O)[C@@H]2CSCC(=O)N2)C1=O ZINC001270478860 1072946828 /nfs/dbraw/zinc/94/68/28/1072946828.db2.gz HEVKSBGJFGKBEY-SUMWQHHRSA-N 1 0 377.470 -0.255 20 0 GBADRO Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270478872 1072946868 /nfs/dbraw/zinc/94/68/68/1072946868.db2.gz HMVSDJHRSYSUTE-CXAGYDPISA-N 1 0 377.470 -0.397 20 0 GBADRO Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270478873 1072946922 /nfs/dbraw/zinc/94/69/22/1072946922.db2.gz HMVSDJHRSYSUTE-DYVFJYSZSA-N 1 0 377.470 -0.397 20 0 GBADRO Cn1cncc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270478874 1072946895 /nfs/dbraw/zinc/94/68/95/1072946895.db2.gz HMVSDJHRSYSUTE-GUYCJALGSA-N 1 0 377.470 -0.397 20 0 GBADRO Cn1cncc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270478875 1072947153 /nfs/dbraw/zinc/94/71/53/1072947153.db2.gz HMVSDJHRSYSUTE-SUMWQHHRSA-N 1 0 377.470 -0.397 20 0 GBADRO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CSCC(=O)N1 ZINC001270480084 1072947688 /nfs/dbraw/zinc/94/76/88/1072947688.db2.gz UCYXUZXHJBFMJG-BFHYXJOUSA-N 1 0 377.470 -0.256 20 0 GBADRO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CSCC(=O)N1 ZINC001270480085 1072947822 /nfs/dbraw/zinc/94/78/22/1072947822.db2.gz UCYXUZXHJBFMJG-MGPQQGTHSA-N 1 0 377.470 -0.256 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001270488529 1072950263 /nfs/dbraw/zinc/95/02/63/1072950263.db2.gz CSAKMNYIGIRUOU-APHBMKBZSA-N 1 0 393.456 -0.526 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001270488530 1072950183 /nfs/dbraw/zinc/95/01/83/1072950183.db2.gz CSAKMNYIGIRUOU-DAXOMENPSA-N 1 0 393.456 -0.526 20 0 GBADRO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001270490381 1072950888 /nfs/dbraw/zinc/95/08/88/1072950888.db2.gz MGHZMNANFGCREJ-PBHICJAKSA-N 1 0 387.502 -0.797 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001270490382 1072951154 /nfs/dbraw/zinc/95/11/54/1072951154.db2.gz MGHZMNANFGCREJ-RHSMWYFYSA-N 1 0 387.502 -0.797 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001270490383 1072950937 /nfs/dbraw/zinc/95/09/37/1072950937.db2.gz MGHZMNANFGCREJ-WMLDXEAASA-N 1 0 387.502 -0.797 20 0 GBADRO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001270490384 1072951198 /nfs/dbraw/zinc/95/11/98/1072951198.db2.gz MGHZMNANFGCREJ-YOEHRIQHSA-N 1 0 387.502 -0.797 20 0 GBADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@H](C)[NH+]3CCCC3)C2)OCC1=O ZINC001270491471 1072950237 /nfs/dbraw/zinc/95/02/37/1072950237.db2.gz WKUQQRKEOXQYGE-AWEZNQCLSA-N 1 0 387.502 -0.655 20 0 GBADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)OCC1=O ZINC001270491472 1072950277 /nfs/dbraw/zinc/95/02/77/1072950277.db2.gz WKUQQRKEOXQYGE-CQSZACIVSA-N 1 0 387.502 -0.655 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3cnc4n(c3=O)CCS4)C[C@H](C1)O2 ZINC001270531869 1072969094 /nfs/dbraw/zinc/96/90/94/1072969094.db2.gz AGXDXURYDKJQRK-BETUJISGSA-N 1 0 379.486 -0.564 20 0 GBADRO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)C[C@]2(CCCC(=O)N2)C1 ZINC001270532628 1072967460 /nfs/dbraw/zinc/96/74/60/1072967460.db2.gz MQFBVSOMNSPIPI-KRWDZBQOSA-N 1 0 377.470 -0.225 20 0 GBADRO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)C[C@@]2(CCCC(=O)N2)C1 ZINC001270532629 1072967582 /nfs/dbraw/zinc/96/75/82/1072967582.db2.gz MQFBVSOMNSPIPI-QGZVFWFLSA-N 1 0 377.470 -0.225 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cnc4n(c3=O)CCS4)C[C@@H]21 ZINC001270532644 1072967338 /nfs/dbraw/zinc/96/73/38/1072967338.db2.gz NAJFXJRKANUYEZ-KBPBESRZSA-N 1 0 379.486 -0.564 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3cnc4n(c3=O)CCS4)C[C@H]21 ZINC001270532645 1072967472 /nfs/dbraw/zinc/96/74/72/1072967472.db2.gz NAJFXJRKANUYEZ-KGLIPLIRSA-N 1 0 379.486 -0.564 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnc4n(c3=O)CCS4)C2)C1 ZINC001270532848 1072968155 /nfs/dbraw/zinc/96/81/55/1072968155.db2.gz PAWNWQGHBXAMDS-UHFFFAOYSA-N 1 0 377.470 -0.415 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cnc2n(c1=O)CCS2 ZINC001270533099 1072968043 /nfs/dbraw/zinc/96/80/43/1072968043.db2.gz USOVPWXZZOZGRV-BETUJISGSA-N 1 0 379.486 -0.564 20 0 GBADRO CSCCC(=O)N1C[C@@H](C(=O)Nc2nnnn2C)[C@H](c2cn(C)cn2)C1 ZINC001270605594 1073002947 /nfs/dbraw/zinc/00/29/47/1073002947.db2.gz GTEVXIAZFFPQEQ-GHMZBOCLSA-N 1 0 378.462 -0.123 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC001270629454 1073016968 /nfs/dbraw/zinc/01/69/68/1073016968.db2.gz CPUXMVWLUMUMSH-UHFFFAOYSA-N 1 0 380.470 -0.430 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H](C1)O2 ZINC001270631113 1073019486 /nfs/dbraw/zinc/01/94/86/1073019486.db2.gz MMMAPRRLUVCYAU-GASCZTMLSA-N 1 0 382.486 -0.579 20 0 GBADRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(S(N)(=O)=O)cc1)C2 ZINC001270631374 1073019255 /nfs/dbraw/zinc/01/92/55/1073019255.db2.gz QQAKATWVNWABPW-OCCSQVGLSA-N 1 0 380.470 -0.432 20 0 GBADRO CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC001270631427 1073019357 /nfs/dbraw/zinc/01/93/57/1073019357.db2.gz RFUIHBHVHJIULG-DZGCQCFKSA-N 1 0 380.470 -0.432 20 0 GBADRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001270631848 1073018608 /nfs/dbraw/zinc/01/86/08/1073018608.db2.gz SQUSSHQJJQWFPL-GJZGRUSLSA-N 1 0 380.470 -0.289 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]21 ZINC001270632041 1073019640 /nfs/dbraw/zinc/01/96/40/1073019640.db2.gz VPMIRVKVUHTHED-CVEARBPZSA-N 1 0 382.486 -0.579 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]21 ZINC001270632042 1073019764 /nfs/dbraw/zinc/01/97/64/1073019764.db2.gz VPMIRVKVUHTHED-HOTGVXAUSA-N 1 0 382.486 -0.579 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001270632054 1073019875 /nfs/dbraw/zinc/01/98/75/1073019875.db2.gz VSYJJYWXQSZQGC-GASCZTMLSA-N 1 0 382.486 -0.579 20 0 GBADRO CNC(=O)/C=C/C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270632663 1073020215 /nfs/dbraw/zinc/02/02/15/1073020215.db2.gz WVQMWRGWLUTATC-RDFMZFSFSA-N 1 0 380.514 -0.167 20 0 GBADRO CNC(=O)/C=C/C(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001270632665 1073019897 /nfs/dbraw/zinc/01/98/97/1073019897.db2.gz WVQMWRGWLUTATC-XGACYXMMSA-N 1 0 380.514 -0.167 20 0 GBADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(CCN3S(=O)(=O)N(C)C)C2)c1 ZINC001270667276 1073033547 /nfs/dbraw/zinc/03/35/47/1073033547.db2.gz JCVFVTFGRDDOHV-HNNXBMFYSA-N 1 0 382.486 -0.342 20 0 GBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(CCN3S(=O)(=O)N(C)C)C2)c1 ZINC001270667277 1073033511 /nfs/dbraw/zinc/03/35/11/1073033511.db2.gz JCVFVTFGRDDOHV-OAHLLOKOSA-N 1 0 382.486 -0.342 20 0 GBADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C2)CN(S(=O)(=O)N(C)C)C3)c1 ZINC001270668526 1073035428 /nfs/dbraw/zinc/03/54/28/1073035428.db2.gz WRTDBYBMPIYFRC-HNNXBMFYSA-N 1 0 382.486 -0.484 20 0 GBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C2)CN(S(=O)(=O)N(C)C)C3)c1 ZINC001270668527 1073034949 /nfs/dbraw/zinc/03/49/49/1073034949.db2.gz WRTDBYBMPIYFRC-OAHLLOKOSA-N 1 0 382.486 -0.484 20 0 GBADRO CN(CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCc1ccnn1C)C(N)=[NH2+] ZINC001270687455 1073040974 /nfs/dbraw/zinc/04/09/74/1073040974.db2.gz PWEYPXNWMZVORU-GFCCVEGCSA-N 1 0 379.490 -0.804 20 0 GBADRO CN(CC(=O)N1CC2(C1)SCC[C@H]2C(=O)NCc1ccnn1C)C(N)=[NH2+] ZINC001270687456 1073041203 /nfs/dbraw/zinc/04/12/03/1073041203.db2.gz PWEYPXNWMZVORU-LBPRGKRZSA-N 1 0 379.490 -0.804 20 0 GBADRO C[C@@H](NC(=O)[C@H]1CCSC12CN(C(=O)CN(C)C(N)=[NH2+])C2)c1ncc[nH]1 ZINC001270690668 1073042153 /nfs/dbraw/zinc/04/21/53/1073042153.db2.gz HEOUKRSOXJDJQX-GHMZBOCLSA-N 1 0 379.490 -0.254 20 0 GBADRO C[C@@H](NC(=O)[C@@H]1CCSC12CN(C(=O)CN(C)C(N)=[NH2+])C2)c1ncc[nH]1 ZINC001270690669 1073041893 /nfs/dbraw/zinc/04/18/93/1073041893.db2.gz HEOUKRSOXJDJQX-MNOVXSKESA-N 1 0 379.490 -0.254 20 0 GBADRO C[C@H](NC(=O)[C@@H]1CCSC12CN(C(=O)CN(C)C(N)=[NH2+])C2)c1ncc[nH]1 ZINC001270690670 1073042055 /nfs/dbraw/zinc/04/20/55/1073042055.db2.gz HEOUKRSOXJDJQX-QWRGUYRKSA-N 1 0 379.490 -0.254 20 0 GBADRO C[C@H](NC(=O)[C@H]1CCSC12CN(C(=O)CN(C)C(N)=[NH2+])C2)c1ncc[nH]1 ZINC001270690671 1073042132 /nfs/dbraw/zinc/04/21/32/1073042132.db2.gz HEOUKRSOXJDJQX-WDEREUQCSA-N 1 0 379.490 -0.254 20 0 GBADRO CN(CC(=O)N1CC2(C1)SCC[C@@H]2C(=O)N1CC2(CC(O)C2)C1)C(N)=[NH2+] ZINC001270690699 1073041564 /nfs/dbraw/zinc/04/15/64/1073041564.db2.gz HVTCLLTXTAVHFT-GFCCVEGCSA-N 1 0 381.502 -0.871 20 0 GBADRO CN(CC(=O)N1CC2(C1)SCC[C@H]2C(=O)N1CC2(CC(O)C2)C1)C(N)=[NH2+] ZINC001270690704 1073042226 /nfs/dbraw/zinc/04/22/26/1073042226.db2.gz HVTCLLTXTAVHFT-LBPRGKRZSA-N 1 0 381.502 -0.871 20 0 GBADRO Cc1nc(CNC(=O)[C@@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)no1 ZINC001270691050 1073042607 /nfs/dbraw/zinc/04/26/07/1073042607.db2.gz KAOFJASLKFJJPA-JTQLQIEISA-N 1 0 381.462 -0.846 20 0 GBADRO Cc1nc(CNC(=O)[C@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)no1 ZINC001270691052 1073042760 /nfs/dbraw/zinc/04/27/60/1073042760.db2.gz KAOFJASLKFJJPA-SNVBAGLBSA-N 1 0 381.462 -0.846 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)C[C@H](C)O1 ZINC001270692380 1073042888 /nfs/dbraw/zinc/04/28/88/1073042888.db2.gz WGFOXNQMYIRTRX-FRRDWIJNSA-N 1 0 383.518 -0.218 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)C[C@@H](C)O1 ZINC001270692381 1073042620 /nfs/dbraw/zinc/04/26/20/1073042620.db2.gz WGFOXNQMYIRTRX-JHJVBQTASA-N 1 0 383.518 -0.218 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)C[C@@H](C)O1 ZINC001270692382 1073042556 /nfs/dbraw/zinc/04/25/56/1073042556.db2.gz WGFOXNQMYIRTRX-UPJWGTAASA-N 1 0 383.518 -0.218 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CCSC23CN(C(=O)CN(C)C(N)=[NH2+])C3)C[C@H](C)O1 ZINC001270692383 1073042724 /nfs/dbraw/zinc/04/27/24/1073042724.db2.gz WGFOXNQMYIRTRX-XQQFMLRXSA-N 1 0 383.518 -0.218 20 0 GBADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cncc(Br)n1)C2 ZINC001270880262 1073183011 /nfs/dbraw/zinc/18/30/11/1073183011.db2.gz JXLQTWOHPSFGCJ-UHFFFAOYSA-N 1 0 398.261 -0.146 20 0 GBADRO C[NH+](C)CCN1CC2(CN(C(=O)c3cncc(Br)n3)C2)OCC1=O ZINC001270882492 1073185855 /nfs/dbraw/zinc/18/58/55/1073185855.db2.gz VDCABZNNEUYLGI-UHFFFAOYSA-N 1 0 398.261 -0.146 20 0 GBADRO Cn1cnc([C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]2C(N)=O)c1 ZINC001271043073 1073267313 /nfs/dbraw/zinc/26/73/13/1073267313.db2.gz ZHHAFKVCOJUXDU-CHWSQXEVSA-N 1 0 377.426 -0.591 20 0 GBADRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC001271046706 1073268314 /nfs/dbraw/zinc/26/83/14/1073268314.db2.gz CBEKTUHZJFXTIR-GQJXAQPLSA-N 1 0 379.482 -0.103 20 0 GBADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCOCC1)N1CCC1 ZINC001271049835 1073268573 /nfs/dbraw/zinc/26/85/73/1073268573.db2.gz AWUFGIXHNSWXKX-YQQAZPJKSA-N 1 0 381.473 -0.475 20 0 GBADRO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)CC[NH+]1CCCC1)C2 ZINC001271061297 1073272865 /nfs/dbraw/zinc/27/28/65/1073272865.db2.gz KZINJCJEMVYKSX-UHFFFAOYSA-N 1 0 387.502 -0.653 20 0 GBADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)CC[NH+]3CCCC3)C2)OCC1=O ZINC001271061776 1073272936 /nfs/dbraw/zinc/27/29/36/1073272936.db2.gz ROLMIUDDDSVBIQ-UHFFFAOYSA-N 1 0 387.502 -0.653 20 0 GBADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271144034 1073310416 /nfs/dbraw/zinc/31/04/16/1073310416.db2.gz REJPOVPZPMKCMZ-AWEZNQCLSA-N 1 0 387.502 -0.655 20 0 GBADRO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)OCC1=O ZINC001271144035 1073310375 /nfs/dbraw/zinc/31/03/75/1073310375.db2.gz REJPOVPZPMKCMZ-CQSZACIVSA-N 1 0 387.502 -0.655 20 0 GBADRO O=C(NC[C@@]1(O)CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001271153658 1073313912 /nfs/dbraw/zinc/31/39/12/1073313912.db2.gz WEHHKWOWAUDTMH-GJRWTSMGSA-N 1 0 376.457 -0.307 20 0 GBADRO O=C(NC[C@]1(O)CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001271153663 1073314034 /nfs/dbraw/zinc/31/40/34/1073314034.db2.gz WEHHKWOWAUDTMH-NXEZDXNNSA-N 1 0 376.457 -0.307 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@H]1CCSC12CN(C(=O)CNC(N)=O)C2 ZINC001271161799 1073325699 /nfs/dbraw/zinc/32/56/99/1073325699.db2.gz CJUZSMYNILVIID-CYBMUJFWSA-N 1 0 385.534 -0.211 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCSC12CN(C(=O)CNC(N)=O)C2 ZINC001271161800 1073325659 /nfs/dbraw/zinc/32/56/59/1073325659.db2.gz CJUZSMYNILVIID-ZDUSSCGKSA-N 1 0 385.534 -0.211 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCSC23CN(C(=O)CNC(N)=O)C3)CC1 ZINC001271163256 1073328311 /nfs/dbraw/zinc/32/83/11/1073328311.db2.gz PPJGQFFYPPGNOZ-CYBMUJFWSA-N 1 0 383.518 -0.459 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCSC23CN(C(=O)CNC(N)=O)C3)CC1 ZINC001271163257 1073328304 /nfs/dbraw/zinc/32/83/04/1073328304.db2.gz PPJGQFFYPPGNOZ-ZDUSSCGKSA-N 1 0 383.518 -0.459 20 0 GBADRO NC(=O)NCC(=O)N1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001271163487 1073328813 /nfs/dbraw/zinc/32/88/13/1073328813.db2.gz QXNOJTIITQMBSN-UHFFFAOYSA-N 1 0 375.420 -0.261 20 0 GBADRO Cn1nccc1CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001271166540 1073338672 /nfs/dbraw/zinc/33/86/72/1073338672.db2.gz DXZCHGLYMUTYGX-ITQYTPKQSA-N 1 0 378.473 -0.433 20 0 GBADRO Cn1nccc1CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001271166541 1073339171 /nfs/dbraw/zinc/33/91/71/1073339171.db2.gz DXZCHGLYMUTYGX-RMRDIRSESA-N 1 0 378.473 -0.433 20 0 GBADRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CNC(=O)c1cccs1)C2 ZINC001271176802 1073379458 /nfs/dbraw/zinc/37/94/58/1073379458.db2.gz IRTRUHNIEVLBIJ-UHFFFAOYSA-N 1 0 380.470 -0.521 20 0 GBADRO C[NH+](C)CCN1CC2(CN(C(=O)CNC(=O)c3cccs3)C2)OCC1=O ZINC001271178579 1073380486 /nfs/dbraw/zinc/38/04/86/1073380486.db2.gz ZOGYVSGJZIMWCS-UHFFFAOYSA-N 1 0 380.470 -0.521 20 0 GBADRO Cc1nnc(SCC(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)s1 ZINC001271224074 1073412168 /nfs/dbraw/zinc/41/21/68/1073412168.db2.gz DSNDDFIMNIBCCK-UHFFFAOYSA-N 1 0 385.515 -0.060 20 0 GBADRO Cc1nnc(SCC(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)s1 ZINC001271224958 1073412254 /nfs/dbraw/zinc/41/22/54/1073412254.db2.gz OIHNRPQNNUHEGL-UHFFFAOYSA-N 1 0 385.515 -0.060 20 0 GBADRO C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3CN(C(=O)c4csnn4)C[C@H]23)CC1 ZINC001271230868 1073413814 /nfs/dbraw/zinc/41/38/14/1073413814.db2.gz DDXZDMZBNMTKFC-WCQYABFASA-N 1 0 378.458 -0.083 20 0 GBADRO C[NH+]1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2csnn2)C3)CC1 ZINC001271231164 1073414062 /nfs/dbraw/zinc/41/40/62/1073414062.db2.gz OAYTUJBPGMCYBR-UHFFFAOYSA-N 1 0 376.446 -0.390 20 0 GBADRO Cn1cnc([C@@H]2CN(C(=O)c3csnn3)C[C@H]2C(=O)NCC2COC2)c1 ZINC001271232108 1073412986 /nfs/dbraw/zinc/41/29/86/1073412986.db2.gz JCFWKDDUNJMLRI-VXGBXAGGSA-N 1 0 376.442 -0.110 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C2 ZINC001271347854 1073444035 /nfs/dbraw/zinc/44/40/35/1073444035.db2.gz CLLVAPRPTVQVMG-RHSMWYFYSA-N 1 0 388.534 -0.296 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)CCCS(N)(=O)=O)CC1 ZINC001271348415 1073444938 /nfs/dbraw/zinc/44/49/38/1073444938.db2.gz KIYTWLRVIBVYRK-DYVFJYSZSA-N 1 0 386.518 -0.401 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)CCCS(N)(=O)=O)CC1 ZINC001271348419 1073444720 /nfs/dbraw/zinc/44/47/20/1073444720.db2.gz KIYTWLRVIBVYRK-SUMWQHHRSA-N 1 0 386.518 -0.401 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CCCS(N)(=O)=O)C3)CC1 ZINC001271348536 1073444881 /nfs/dbraw/zinc/44/48/81/1073444881.db2.gz MJWSTINWULFMNY-AWEZNQCLSA-N 1 0 386.518 -0.544 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CCCS(N)(=O)=O)C3)CC1 ZINC001271348537 1073445083 /nfs/dbraw/zinc/44/50/83/1073445083.db2.gz MJWSTINWULFMNY-CQSZACIVSA-N 1 0 386.518 -0.544 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)CCCS(N)(=O)=O ZINC001271348561 1073445974 /nfs/dbraw/zinc/44/59/74/1073445974.db2.gz NFTQAUGMYSXOBW-PBHICJAKSA-N 1 0 388.534 -0.154 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)CCCS(N)(=O)=O ZINC001271348563 1073445965 /nfs/dbraw/zinc/44/59/65/1073445965.db2.gz NFTQAUGMYSXOBW-WMLDXEAASA-N 1 0 388.534 -0.154 20 0 GBADRO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C3)CC1 ZINC001271348881 1073445995 /nfs/dbraw/zinc/44/59/95/1073445995.db2.gz QVRGNWJMXCXMSO-CXAGYDPISA-N 1 0 386.518 -0.544 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)CCCS(N)(=O)=O)C2 ZINC001271349104 1073446010 /nfs/dbraw/zinc/44/60/10/1073446010.db2.gz SSYRJIGSFLCQBC-AWEZNQCLSA-N 1 0 388.534 -0.296 20 0 GBADRO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)CCCS(N)(=O)=O)C2 ZINC001271349108 1073445961 /nfs/dbraw/zinc/44/59/61/1073445961.db2.gz SSYRJIGSFLCQBC-CQSZACIVSA-N 1 0 388.534 -0.296 20 0 GBADRO Cc1snnc1C(=O)N1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001271514708 1073500620 /nfs/dbraw/zinc/50/06/20/1073500620.db2.gz CNZZLYOKSVSFAK-NWDGAFQWSA-N 1 0 378.458 -0.116 20 0 GBADRO Cn1ncnc1C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001271582828 1073504188 /nfs/dbraw/zinc/50/41/88/1073504188.db2.gz JMCJLVTVXUUAOJ-CYBMUJFWSA-N 1 0 378.502 -0.027 20 0 GBADRO Cn1ncnc1C(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001271582829 1073504550 /nfs/dbraw/zinc/50/45/50/1073504550.db2.gz JMCJLVTVXUUAOJ-ZDUSSCGKSA-N 1 0 378.502 -0.027 20 0 GBADRO Cn1cnc(C(=O)N2CC3(C2)SCC[C@@H]3C(=O)NC2CC[NH+](C)CC2)n1 ZINC001271612698 1073505303 /nfs/dbraw/zinc/50/53/03/1073505303.db2.gz SGRVWHTUFXCPOD-CYBMUJFWSA-N 1 0 378.502 -0.027 20 0 GBADRO Cn1cnc(C(=O)N2CC3(C2)SCC[C@H]3C(=O)NC2CC[NH+](C)CC2)n1 ZINC001271612699 1073505449 /nfs/dbraw/zinc/50/54/49/1073505449.db2.gz SGRVWHTUFXCPOD-ZDUSSCGKSA-N 1 0 378.502 -0.027 20 0 GBADRO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001271633858 1073506013 /nfs/dbraw/zinc/50/60/13/1073506013.db2.gz CQEXUWDMMZGIBQ-BBRMVZONSA-N 1 0 375.491 -0.799 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)[C@H](C)[NH+](C)C)C2)OCC1=O ZINC001271633860 1073506030 /nfs/dbraw/zinc/50/60/30/1073506030.db2.gz CQEXUWDMMZGIBQ-XJKSGUPXSA-N 1 0 375.491 -0.799 20 0 GBADRO CCS(=O)(=O)CCN1C(=O)C[C@]2(CCCN(C(=O)[C@H](C)[NH+](C)C)C2)C1=O ZINC001271633979 1073505996 /nfs/dbraw/zinc/50/59/96/1073505996.db2.gz FYCNMPJWAYMZGH-GUYCJALGSA-N 1 0 387.502 -0.261 20 0 GBADRO CCS(=O)(=O)CCN1C(=O)C[C@@]2(CCCN(C(=O)[C@H](C)[NH+](C)C)C2)C1=O ZINC001271633985 1073506128 /nfs/dbraw/zinc/50/61/28/1073506128.db2.gz FYCNMPJWAYMZGH-SUMWQHHRSA-N 1 0 387.502 -0.261 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(F)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@]2(F)C1=O ZINC001271634181 1073506482 /nfs/dbraw/zinc/50/64/82/1073506482.db2.gz ISWVSLLRSWEJQD-NILFDRSVSA-N 1 0 381.445 -0.528 20 0 GBADRO COC[C@H](C(=O)OC)N1C[C@@]2(F)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@]2(F)C1=O ZINC001271634277 1073506362 /nfs/dbraw/zinc/50/63/62/1073506362.db2.gz KLBHZYLZEFZCTE-KTQGLZRJSA-N 1 0 377.388 -0.775 20 0 GBADRO COC[C@@H](C(=O)OC)N1C[C@@]2(F)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@]2(F)C1=O ZINC001271634278 1073505961 /nfs/dbraw/zinc/50/59/61/1073505961.db2.gz KLBHZYLZEFZCTE-KUDNYVPYSA-N 1 0 377.388 -0.775 20 0 GBADRO CCS(=O)(=O)CCN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001271634848 1073506158 /nfs/dbraw/zinc/50/61/58/1073506158.db2.gz SONOORABOVVNPJ-WMLDXEAASA-N 1 0 389.518 -0.551 20 0 GBADRO CCS(=O)(=O)CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@H](C)[NH+](C)C)C2 ZINC001271634849 1073506491 /nfs/dbraw/zinc/50/64/91/1073506491.db2.gz SONOORABOVVNPJ-YOEHRIQHSA-N 1 0 389.518 -0.551 20 0 GBADRO COCCOC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C1 ZINC001271867129 1073628330 /nfs/dbraw/zinc/62/83/30/1073628330.db2.gz MXZGHXXZVKEAHI-LBGGWBJFSA-N 1 0 380.485 -0.176 20 0 GBADRO COCCOC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C1 ZINC001271867130 1073628261 /nfs/dbraw/zinc/62/82/61/1073628261.db2.gz MXZGHXXZVKEAHI-MQJSTHQHSA-N 1 0 380.485 -0.176 20 0 GBADRO COCCCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C1 ZINC001271867569 1073629362 /nfs/dbraw/zinc/62/93/62/1073629362.db2.gz WBXKLFDVMZLJBJ-DDVYYSQMSA-N 1 0 377.485 -0.047 20 0 GBADRO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001271870039 1073629472 /nfs/dbraw/zinc/62/94/72/1073629472.db2.gz VFECAPGTRUAUQC-ITCTVVDESA-N 1 0 378.473 -0.901 20 0 GBADRO CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001271870040 1073629071 /nfs/dbraw/zinc/62/90/71/1073629071.db2.gz VFECAPGTRUAUQC-SCQTYWGTSA-N 1 0 378.473 -0.901 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)CCC(=O)Nc3nncs3)C[C@H](C1)O2 ZINC001271888004 1073634283 /nfs/dbraw/zinc/63/42/83/1073634283.db2.gz AOFZPXXXFXTAGP-BETUJISGSA-N 1 0 382.490 -0.270 20 0 GBADRO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CCC(=O)Nc3nncs3)C2)C1 ZINC001271888464 1073635034 /nfs/dbraw/zinc/63/50/34/1073635034.db2.gz GITNXDKOUXZICU-UHFFFAOYSA-N 1 0 380.474 -0.121 20 0 GBADRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CCC(=O)Nc1nncs1 ZINC001271888594 1073635156 /nfs/dbraw/zinc/63/51/56/1073635156.db2.gz IACRUTJCKIKUOH-BETUJISGSA-N 1 0 382.490 -0.270 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCC(=O)Nc3nncs3)C[C@H]21 ZINC001271888771 1073634910 /nfs/dbraw/zinc/63/49/10/1073634910.db2.gz LXEQQVGQFUYBOS-OLZOCXBDSA-N 1 0 382.490 -0.270 20 0 GBADRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCC(=O)Nc3nncs3)C[C@@H]21 ZINC001271888773 1073635264 /nfs/dbraw/zinc/63/52/64/1073635264.db2.gz LXEQQVGQFUYBOS-STQMWFEESA-N 1 0 382.490 -0.270 20 0 GBADRO O=C(NCCN1CCC([NH2+][C@@H]2CCCNC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271917886 1073662366 /nfs/dbraw/zinc/66/23/66/1073662366.db2.gz AFBZVGFVUAYDMC-SUMCQTLJSA-N 1 0 376.501 -0.141 20 0 GBADRO O=C(NCCN1CCC([NH2+][C@H]2CCCNC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271917891 1073662378 /nfs/dbraw/zinc/66/23/78/1073662378.db2.gz AFBZVGFVUAYDMC-UFYUIRFASA-N 1 0 376.501 -0.141 20 0 GBADRO O=C(C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N1CCC1 ZINC001271918411 1073661254 /nfs/dbraw/zinc/66/12/54/1073661254.db2.gz IOKKTRUNKXWOFT-BCDMZGRMSA-N 1 0 376.501 -0.188 20 0 GBADRO 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CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001272078538 1073941880 /nfs/dbraw/zinc/94/18/80/1073941880.db2.gz MVRFFZZMEBFXCB-XHMLNNKLSA-N 1 0 383.514 -0.118 20 0 GBADRO CC(C)NC(=S)N1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001279106442 1072249140 /nfs/dbraw/zinc/24/91/40/1072249140.db2.gz DMIQAKWMNAIAGT-UHFFFAOYSA-N 1 0 383.562 -0.180 20 0 GBADRO CC(C)NC(=S)N1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001279107365 1072434124 /nfs/dbraw/zinc/43/41/24/1072434124.db2.gz LTJTWQVSZIYNDW-UHFFFAOYSA-N 1 0 383.562 -0.180 20 0 GBADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=S)NCCC[S@](C)=O)C2)OCC1=O ZINC001279141165 1073407815 /nfs/dbraw/zinc/40/78/15/1073407815.db2.gz CYCBYZLSWHNHPV-CPJLOUKISA-N 1 0 390.575 -0.506 20 0 GBADRO C[NH+](C)CCN1C[C@]2(CCN(C(=S)NCCC[S@@](C)=O)C2)OCC1=O ZINC001279141170 1073407854 /nfs/dbraw/zinc/40/78/54/1073407854.db2.gz CYCBYZLSWHNHPV-IVCQMTBJSA-N 1 0 390.575 -0.506 20 0 GBADRO C[NH+](C)CCN1C[C@]2(CCN(C(=S)NCCC[S@](C)=O)C2)OCC1=O ZINC001279141182 1073407741 /nfs/dbraw/zinc/40/77/41/1073407741.db2.gz CYCBYZLSWHNHPV-LMKMVOKYSA-N 1 0 390.575 -0.506 20 0 GBADRO C[NH+](C)CCN1C[C@@]2(CCN(C(=S)NCCC[S@@](C)=O)C2)OCC1=O ZINC001279141195 1073407520 /nfs/dbraw/zinc/40/75/20/1073407520.db2.gz CYCBYZLSWHNHPV-PUAOIOHZSA-N 1 0 390.575 -0.506 20 0 GBADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=S)NCCC[S@@](C)=O)C[C@@]2(F)C1=O ZINC001279142453 1073438914 /nfs/dbraw/zinc/43/89/14/1073438914.db2.gz UMNGKJZQNZNPHG-KDCSIKNMSA-N 1 0 396.529 -0.235 20 0 GBADRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=S)NCCC[S@](C)=O)C[C@@]2(F)C1=O ZINC001279142454 1073438539 /nfs/dbraw/zinc/43/85/39/1073438539.db2.gz UMNGKJZQNZNPHG-XGZNKIABSA-N 1 0 396.529 -0.235 20 0 GBADRO C[NH+](C)CCN1CC2(CN(C(=S)NCCCC[S@@](C)=O)C2)OCC1=O ZINC001279142504 1073442447 /nfs/dbraw/zinc/44/24/47/1073442447.db2.gz VYSLWPIAWGLIBE-RUZDIDTESA-N 1 0 390.575 -0.506 20 0 GBADRO C[NH+]1CCN(CCCN2CC3(CN(S(=O)(=O)C(F)F)C3)OCC2=O)CC1 ZINC001279210637 1073638244 /nfs/dbraw/zinc/63/82/44/1073638244.db2.gz MKNBGCSXVBHETE-UHFFFAOYSA-N 1 0 396.460 -0.911 20 0 GBADRO C[NH+]1CCN(CCCN2CC[C@]3(CCCN(S(N)(=O)=O)CC3)C2=O)CC1 ZINC001279219669 1072441005 /nfs/dbraw/zinc/44/10/05/1072441005.db2.gz HAKFZCIMJPACAK-KRWDZBQOSA-N 1 0 387.550 -0.468 20 0 GBADRO C[NH+]1CCN(CCCN2CC[C@@]3(CCCN(S(N)(=O)=O)CC3)C2=O)CC1 ZINC001279219670 1072440969 /nfs/dbraw/zinc/44/09/69/1072440969.db2.gz HAKFZCIMJPACAK-QGZVFWFLSA-N 1 0 387.550 -0.468 20 0 GBADRO C[NH+]1CCN(CCCN2CC3(CCC2=O)CCN(S(N)(=O)=O)CC3)CC1 ZINC001279220569 1072458427 /nfs/dbraw/zinc/45/84/27/1072458427.db2.gz WKSOUYIFULXQTQ-UHFFFAOYSA-N 1 0 387.550 -0.468 20 0 GBADRO Cc1nc(S(=O)(=O)N2C[C@]3(F)CN(CC[NH+](C)C)C(=O)[C@]3(F)C2)cn1C ZINC001279246570 1073347342 /nfs/dbraw/zinc/34/73/42/1073347342.db2.gz DXBNEVNGRGQMON-HUUCEWRRSA-N 1 0 391.444 -0.447 20 0 GBADRO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279977658 1072467159 /nfs/dbraw/zinc/46/71/59/1072467159.db2.gz PQIIICQSUMCXTH-OAHLLOKOSA-N 1 0 393.579 -0.604 20 0 GBADRO 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1073942755 /nfs/dbraw/zinc/94/27/55/1073942755.db2.gz JCLRTDZRAOXIGO-UHFFFAOYSA-N 1 0 375.539 -0.599 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001329790514 957706006 /nfs/dbraw/zinc/70/60/06/957706006.db2.gz GVRPJTMSYLJSJF-UHFFFAOYSA-N 1 0 383.493 -0.269 20 0 GBADRO C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)(N2CCOCC2)CC1 ZINC001469011423 948533135 /nfs/dbraw/zinc/53/31/35/948533135.db2.gz XCZYKJHTZSHZNS-UHFFFAOYSA-N 1 0 386.460 -0.212 20 0 GBADRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1cc(=O)n(C)c(=O)n1C ZINC001481146859 1073132531 /nfs/dbraw/zinc/13/25/31/1073132531.db2.gz JQCIUFCOMLLTDO-OAGGEKHMSA-N 1 0 378.473 -0.020 20 0 GBADRO O=C(NCC[N@@H+](C[C@H](O)Cn1cccn1)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481178666 1073145423 /nfs/dbraw/zinc/14/54/23/1073145423.db2.gz AXQWHVNNUBQGAJ-LEUOFYLZSA-N 1 0 378.473 -0.124 20 0 GBADRO O=C(NCC[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481178667 1073145710 /nfs/dbraw/zinc/14/57/10/1073145710.db2.gz AXQWHVNNUBQGAJ-XOYOTBSWSA-N 1 0 378.473 -0.124 20 0 GBADRO CN(CC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481258700 1073284200 /nfs/dbraw/zinc/28/42/00/1073284200.db2.gz AUXAFKWXKBLKRU-OCABDXPQSA-N 1 0 375.473 -0.150 20 0 GBADRO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(=O)NC1CC1 ZINC001481261216 1073285729 /nfs/dbraw/zinc/28/57/29/1073285729.db2.gz JPNNOUZSMRSNPV-NZBPQXDJSA-N 1 0 382.461 -0.537 20 0 GBADRO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NC(=O)NC1CC1 ZINC001481261219 1073285498 /nfs/dbraw/zinc/28/54/98/1073285498.db2.gz JPNNOUZSMRSNPV-PAPYEOQZSA-N 1 0 382.461 -0.537 20 0 GBADRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481261483 1073285347 /nfs/dbraw/zinc/28/53/47/1073285347.db2.gz LSQZKSDOONFEMC-MELADBBJSA-N 1 0 382.461 -0.584 20 0 GBADRO CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001481833598 1073848451 /nfs/dbraw/zinc/84/84/51/1073848451.db2.gz ATGNYSQXCWUZJV-FWCYYJLNSA-N 1 0 392.500 -0.415 20 0 GBADRO CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001481833599 1073849172 /nfs/dbraw/zinc/84/91/72/1073849172.db2.gz ATGNYSQXCWUZJV-PITCONLNSA-N 1 0 392.500 -0.415 20 0 GBADRO CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001481834003 1073848928 /nfs/dbraw/zinc/84/89/28/1073848928.db2.gz DOIMEJJYRRHCKJ-SSLCOKDMSA-N 1 0 376.457 -0.508 20 0 GBADRO CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001481834008 1073848765 /nfs/dbraw/zinc/84/87/65/1073848765.db2.gz DOIMEJJYRRHCKJ-UFZZPABASA-N 1 0 376.457 -0.508 20 0 GBADRO CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001481835184 1073849637 /nfs/dbraw/zinc/84/96/37/1073849637.db2.gz NYYIGZLGAYNPKE-GZIXRCOHSA-N 1 0 378.473 -0.117 20 0 GBADRO CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001481835188 1073850159 /nfs/dbraw/zinc/85/01/59/1073850159.db2.gz NYYIGZLGAYNPKE-UICACZKSSA-N 1 0 378.473 -0.117 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001482019793 1073888166 /nfs/dbraw/zinc/88/81/66/1073888166.db2.gz WFYNGIFKOXTBMZ-SMSYFYOWSA-N 1 0 382.461 -0.490 20 0 GBADRO NC(=O)NC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001482046981 1073903936 /nfs/dbraw/zinc/90/39/36/1073903936.db2.gz MVOMLAMJZSHLQG-OFQRWUPVSA-N 1 0 382.461 -0.549 20 0 GBADRO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001482224880 1072522992 /nfs/dbraw/zinc/52/29/92/1072522992.db2.gz HDGKRCBSAGKAPV-AQRJEWBLSA-N 1 0 376.457 -0.020 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001482333111 1073097207 /nfs/dbraw/zinc/09/72/07/1073097207.db2.gz BLFZWSUKMALYQY-DZUCGIPZSA-N 1 0 380.489 -0.319 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001482333112 1073098088 /nfs/dbraw/zinc/09/80/88/1073098088.db2.gz BLFZWSUKMALYQY-SVGFKBNWSA-N 1 0 380.489 -0.319 20 0 GBADRO CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482616139 1073944336 /nfs/dbraw/zinc/94/43/36/1073944336.db2.gz XLKSDALOPURNIY-OFQRWUPVSA-N 1 0 382.461 -0.630 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571114150 952449396 /nfs/dbraw/zinc/44/93/96/952449396.db2.gz CDSUQYZXKFCFEU-DGCLKSJQSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571114157 952450167 /nfs/dbraw/zinc/45/01/67/952450167.db2.gz CDSUQYZXKFCFEU-YPMHNXCESA-N 1 0 375.364 -0.195 20 0 GBADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1COC(=O)N1 ZINC001571114339 952453364 /nfs/dbraw/zinc/45/33/64/952453364.db2.gz GYWJHBWKDOMSOB-GVXVVHGQSA-N 1 0 375.364 -0.149 20 0 GBADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1COC(=O)N1 ZINC001571114340 952452962 /nfs/dbraw/zinc/45/29/62/952452962.db2.gz GYWJHBWKDOMSOB-NQBHXWOUSA-N 1 0 375.364 -0.149 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571114532 952456013 /nfs/dbraw/zinc/45/60/13/952456013.db2.gz KCPAZOMVFVQCPD-AAEUAGOBSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571114533 952456179 /nfs/dbraw/zinc/45/61/79/952456179.db2.gz KCPAZOMVFVQCPD-DGCLKSJQSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571114534 952455437 /nfs/dbraw/zinc/45/54/37/952455437.db2.gz KCPAZOMVFVQCPD-WCQYABFASA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571114535 952456414 /nfs/dbraw/zinc/45/64/14/952456414.db2.gz KCPAZOMVFVQCPD-YPMHNXCESA-N 1 0 375.364 -0.195 20 0 GBADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1COC(=O)N1 ZINC001571114567 952457231 /nfs/dbraw/zinc/45/72/31/952457231.db2.gz LFQGNKSFFZAXBO-GIPNMCIBSA-N 1 0 375.364 -0.149 20 0 GBADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571114568 952457405 /nfs/dbraw/zinc/45/74/05/952457405.db2.gz LFQGNKSFFZAXBO-KWBADKCTSA-N 1 0 375.364 -0.149 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571115048 952463134 /nfs/dbraw/zinc/46/31/34/952463134.db2.gz QUHWKXRLNFPNMO-GWCFXTLKSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571115049 952462627 /nfs/dbraw/zinc/46/26/27/952462627.db2.gz QUHWKXRLNFPNMO-GXFFZTMASA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571115050 952462442 /nfs/dbraw/zinc/46/24/42/952462442.db2.gz QUHWKXRLNFPNMO-MFKMUULPSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571115051 952463115 /nfs/dbraw/zinc/46/31/15/952463115.db2.gz QUHWKXRLNFPNMO-ZWNOBZJWSA-N 1 0 375.364 -0.195 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571117041 952479565 /nfs/dbraw/zinc/47/95/65/952479565.db2.gz GIIQAVWOXOAGFQ-KCPJHIHWSA-N 1 0 375.433 -0.071 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571117043 952479743 /nfs/dbraw/zinc/47/97/43/952479743.db2.gz GIIQAVWOXOAGFQ-NILFDRSVSA-N 1 0 375.433 -0.071 20 0 GBADRO CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001571117302 952480628 /nfs/dbraw/zinc/48/06/28/952480628.db2.gz IQOGIALLJGOXHX-CKCNXQLGSA-N 1 0 375.433 -0.215 20 0 GBADRO CC[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571117374 952481688 /nfs/dbraw/zinc/48/16/88/952481688.db2.gz KNGVXFMNDCBOLL-NWDGAFQWSA-N 1 0 375.437 -0.364 20 0 GBADRO CC[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571117375 952481740 /nfs/dbraw/zinc/48/17/40/952481740.db2.gz KNGVXFMNDCBOLL-VXGBXAGGSA-N 1 0 375.437 -0.364 20 0 GBADRO CC(C)(O)CC(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571117709 952482833 /nfs/dbraw/zinc/48/28/33/952482833.db2.gz OPYPCOBXOCKYPJ-GFCCVEGCSA-N 1 0 375.433 -0.126 20 0 GBADRO CC(C)(O)CC(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571117710 952482717 /nfs/dbraw/zinc/48/27/17/952482717.db2.gz OPYPCOBXOCKYPJ-LBPRGKRZSA-N 1 0 375.433 -0.126 20 0 GBADRO O=C(N[C@H]1C[N@@H+](CCO)CC2(CCOCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571118380 952488379 /nfs/dbraw/zinc/48/83/79/952488379.db2.gz WNFMMHYQNACELR-GFCCVEGCSA-N 1 0 375.433 -0.212 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](CCO)CC2(CCOCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571118381 952488745 /nfs/dbraw/zinc/48/87/45/952488745.db2.gz WNFMMHYQNACELR-LBPRGKRZSA-N 1 0 375.433 -0.212 20 0 GBADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CNC(=O)N1 ZINC001571121876 952522676 /nfs/dbraw/zinc/52/26/76/952522676.db2.gz DESHLJMSFONFMJ-FXPVBKGRSA-N 1 0 376.446 -0.406 20 0 GBADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CNC(=O)N1 ZINC001571121878 952522724 /nfs/dbraw/zinc/52/27/24/952522724.db2.gz DESHLJMSFONFMJ-QXEWZRGKSA-N 1 0 376.446 -0.406 20 0 GBADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@H]1COCCO1 ZINC001571121968 952523997 /nfs/dbraw/zinc/52/39/97/952523997.db2.gz GPFKAYOHCQWGBX-CZXHOFHRSA-N 1 0 376.442 -0.110 20 0 GBADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@@H]1COCCO1 ZINC001571121969 952523447 /nfs/dbraw/zinc/52/34/47/952523447.db2.gz GPFKAYOHCQWGBX-KZVDOYCCSA-N 1 0 376.442 -0.110 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571122318 952524988 /nfs/dbraw/zinc/52/49/88/952524988.db2.gz IQGYFFCIBCPHFB-DVVUODLYSA-N 1 0 376.446 -0.454 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571122320 952525266 /nfs/dbraw/zinc/52/52/66/952525266.db2.gz IQGYFFCIBCPHFB-FBIMIBRVSA-N 1 0 376.446 -0.454 20 0 GBADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CS(=O)(=O)C1 ZINC001571122771 952526865 /nfs/dbraw/zinc/52/68/65/952526865.db2.gz KHSFLWITZOSUST-OKILXGFUSA-N 1 0 376.442 -0.352 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571127100 952550065 /nfs/dbraw/zinc/55/00/65/952550065.db2.gz GAIBRCNHAAVWCF-GXSJLCMTSA-N 1 0 377.430 -0.025 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571127101 952550623 /nfs/dbraw/zinc/55/06/23/952550623.db2.gz GAIBRCNHAAVWCF-KOLCDFICSA-N 1 0 377.430 -0.025 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571127102 952550304 /nfs/dbraw/zinc/55/03/04/952550304.db2.gz GAIBRCNHAAVWCF-MWLCHTKSSA-N 1 0 377.430 -0.025 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571127103 952550594 /nfs/dbraw/zinc/55/05/94/952550594.db2.gz GAIBRCNHAAVWCF-ONGXEEELSA-N 1 0 377.430 -0.025 20 0 GBADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571127236 952552216 /nfs/dbraw/zinc/55/22/16/952552216.db2.gz IBIILRBOZOQWFR-LLVKDONJSA-N 1 0 377.430 -0.869 20 0 GBADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571127237 952552382 /nfs/dbraw/zinc/55/23/82/952552382.db2.gz IBIILRBOZOQWFR-NSHDSACASA-N 1 0 377.430 -0.869 20 0 GBADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CS(=O)(=O)C1 ZINC001571128219 952564815 /nfs/dbraw/zinc/56/48/15/952564815.db2.gz RFKZVCMVTRRNHO-UHFFFAOYSA-N 1 0 377.430 -0.609 20 0 GBADRO O=C(CN1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571128361 952566124 /nfs/dbraw/zinc/56/61/24/952566124.db2.gz RKDAAKYKVCGCFT-HAQNSBGRSA-N 1 0 377.474 -0.003 20 0 GBADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571128431 952567416 /nfs/dbraw/zinc/56/74/16/952567416.db2.gz RPGISSKOGRDKIU-PHIMTYICSA-N 1 0 377.430 -0.904 20 0 GBADRO O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128458 952567376 /nfs/dbraw/zinc/56/73/76/952567376.db2.gz TUAWPDRCDWCECY-GWCFXTLKSA-N 1 0 377.430 -0.726 20 0 GBADRO O=C([C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128459 952567213 /nfs/dbraw/zinc/56/72/13/952567213.db2.gz TUAWPDRCDWCECY-GXFFZTMASA-N 1 0 377.430 -0.726 20 0 GBADRO O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128460 952567294 /nfs/dbraw/zinc/56/72/94/952567294.db2.gz TUAWPDRCDWCECY-MFKMUULPSA-N 1 0 377.430 -0.726 20 0 GBADRO O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128461 952566824 /nfs/dbraw/zinc/56/68/24/952566824.db2.gz TUAWPDRCDWCECY-ZWNOBZJWSA-N 1 0 377.430 -0.726 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128843 952570774 /nfs/dbraw/zinc/57/07/74/952570774.db2.gz XBSZFMNEZMDJRS-GHMZBOCLSA-N 1 0 377.430 -0.869 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128847 952571309 /nfs/dbraw/zinc/57/13/09/952571309.db2.gz XBSZFMNEZMDJRS-MNOVXSKESA-N 1 0 377.430 -0.869 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128850 952571069 /nfs/dbraw/zinc/57/10/69/952571069.db2.gz XBSZFMNEZMDJRS-QWRGUYRKSA-N 1 0 377.430 -0.869 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128852 952570661 /nfs/dbraw/zinc/57/06/61/952570661.db2.gz XBSZFMNEZMDJRS-WDEREUQCSA-N 1 0 377.430 -0.869 20 0 GBADRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nccnc2N)c(-c2nn[nH]n2)c[nH+]1 ZINC001571136555 952614636 /nfs/dbraw/zinc/61/46/36/952614636.db2.gz QOSJPHWMZPDYPD-PJXYFTJBSA-N 1 0 378.400 -0.193 20 0 GBADRO NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571139142 952619565 /nfs/dbraw/zinc/61/95/65/952619565.db2.gz CUKKXLLLGLWCAH-JTQLQIEISA-N 1 0 379.384 -0.496 20 0 GBADRO NC(=O)c1ccnc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571139340 952620027 /nfs/dbraw/zinc/62/00/27/952620027.db2.gz GEYKJMRUZJLPOA-LLVKDONJSA-N 1 0 379.384 -0.496 20 0 GBADRO COc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001571139399 952620294 /nfs/dbraw/zinc/62/02/94/952620294.db2.gz HAACMSKBBCMWES-IMRBUKKESA-N 1 0 379.384 -0.075 20 0 GBADRO NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1 ZINC001571139698 952622035 /nfs/dbraw/zinc/62/20/35/952622035.db2.gz KRNYIRQJGFEZFN-LLVKDONJSA-N 1 0 379.384 -0.496 20 0 GBADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001571139998 952622131 /nfs/dbraw/zinc/62/21/31/952622131.db2.gz MLSFWGAHULWUKP-WLLOZRIZSA-N 1 0 379.384 -0.543 20 0 GBADRO COc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)ncn1 ZINC001571140151 952623222 /nfs/dbraw/zinc/62/32/22/952623222.db2.gz OQKLLBCVXRZSMI-HBYGRHMLSA-N 1 0 379.384 -0.075 20 0 GBADRO NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571140208 952623291 /nfs/dbraw/zinc/62/32/91/952623291.db2.gz OWEIQDDPUSCOPE-LLVKDONJSA-N 1 0 379.384 -0.496 20 0 GBADRO NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571140211 952623215 /nfs/dbraw/zinc/62/32/15/952623215.db2.gz OWEIQDDPUSCOPE-NSHDSACASA-N 1 0 379.384 -0.496 20 0 GBADRO COc1nccc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001571140794 952628663 /nfs/dbraw/zinc/62/86/63/952628663.db2.gz UCOISBIYUYDQBV-YABSGUDNSA-N 1 0 379.384 -0.075 20 0 GBADRO CS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140998 952630946 /nfs/dbraw/zinc/63/09/46/952630946.db2.gz FDQOUGOFFLNBRT-CQSZACIVSA-N 1 0 378.458 -0.008 20 0 GBADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141222 952631625 /nfs/dbraw/zinc/63/16/25/952631625.db2.gz WMOQLUPDEVOUTB-QWRGUYRKSA-N 1 0 379.384 -0.243 20 0 GBADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001571141576 952633637 /nfs/dbraw/zinc/63/36/37/952633637.db2.gz IMSSEKTWCOYRQO-DGCLKSJQSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001571141577 952633561 /nfs/dbraw/zinc/63/35/61/952633561.db2.gz IMSSEKTWCOYRQO-WCQYABFASA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CS(C)(=O)=O ZINC001571141930 952636784 /nfs/dbraw/zinc/63/67/84/952636784.db2.gz KVCJMIAPJLLPCI-BXUZGUMPSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CS(C)(=O)=O ZINC001571141931 952637006 /nfs/dbraw/zinc/63/70/06/952637006.db2.gz KVCJMIAPJLLPCI-FZMZJTMJSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CS(C)(=O)=O ZINC001571141932 952637396 /nfs/dbraw/zinc/63/73/96/952637396.db2.gz KVCJMIAPJLLPCI-RISCZKNCSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CS(C)(=O)=O ZINC001571141933 952636744 /nfs/dbraw/zinc/63/67/44/952636744.db2.gz KVCJMIAPJLLPCI-SMDDNHRTSA-N 1 0 378.458 -0.010 20 0 GBADRO CS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571141984 952637915 /nfs/dbraw/zinc/63/79/15/952637915.db2.gz MJUOTOBVMZVOGL-CQSZACIVSA-N 1 0 378.458 -0.008 20 0 GBADRO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571142524 952643237 /nfs/dbraw/zinc/64/32/37/952643237.db2.gz TZGQDBKVPBSIGE-BXUZGUMPSA-N 1 0 378.458 -0.152 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001571142558 952642806 /nfs/dbraw/zinc/64/28/06/952642806.db2.gz UJLRFESSTMCSAN-UHFFFAOYSA-N 1 0 378.462 -0.728 20 0 GBADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571142560 952643207 /nfs/dbraw/zinc/64/32/07/952643207.db2.gz UQIKOVRTTQFPCQ-UHFFFAOYSA-N 1 0 378.824 -0.239 20 0 GBADRO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC001571142692 952645353 /nfs/dbraw/zinc/64/53/53/952645353.db2.gz VNNUABNEVYUZQX-GHMZBOCLSA-N 1 0 378.462 -0.607 20 0 GBADRO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001571150412 952667509 /nfs/dbraw/zinc/66/75/09/952667509.db2.gz AFTNKJALDCHVFD-GWCFXTLKSA-N 1 0 379.446 -0.646 20 0 GBADRO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001571150413 952667588 /nfs/dbraw/zinc/66/75/88/952667588.db2.gz AFTNKJALDCHVFD-GXFFZTMASA-N 1 0 379.446 -0.646 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001571150414 952667521 /nfs/dbraw/zinc/66/75/21/952667521.db2.gz AFTNKJALDCHVFD-MFKMUULPSA-N 1 0 379.446 -0.646 20 0 GBADRO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001571150415 952667648 /nfs/dbraw/zinc/66/76/48/952667648.db2.gz AFTNKJALDCHVFD-ZWNOBZJWSA-N 1 0 379.446 -0.646 20 0 GBADRO C[C@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001571150816 952670370 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PPTNULZRYFNTCL-JQWIXIFHSA-N 1 0 379.446 -0.566 20 0 GBADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001571151383 952674845 /nfs/dbraw/zinc/67/48/45/952674845.db2.gz PPTNULZRYFNTCL-PWSUYJOCSA-N 1 0 379.446 -0.566 20 0 GBADRO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)co1 ZINC001571152187 952681229 /nfs/dbraw/zinc/68/12/29/952681229.db2.gz CXQFFKIHQWOKAH-YABSGUDNSA-N 1 0 380.368 -0.182 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571154848 952690277 /nfs/dbraw/zinc/69/02/77/952690277.db2.gz CKHGFNMLTOIZFT-ABAIWWIYSA-N 1 0 380.412 -0.045 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571154849 952690679 /nfs/dbraw/zinc/69/06/79/952690679.db2.gz CKHGFNMLTOIZFT-IAQYHMDHSA-N 1 0 380.412 -0.045 20 0 GBADRO C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571154850 952690129 /nfs/dbraw/zinc/69/01/29/952690129.db2.gz CKHGFNMLTOIZFT-NHYWBVRUSA-N 1 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C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571155079 952692841 /nfs/dbraw/zinc/69/28/41/952692841.db2.gz HCGBIBIGXYRHSB-ABAIWWIYSA-N 1 0 380.412 -0.045 20 0 GBADRO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571155080 952692095 /nfs/dbraw/zinc/69/20/95/952692095.db2.gz HCGBIBIGXYRHSB-IAQYHMDHSA-N 1 0 380.412 -0.045 20 0 GBADRO C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571155081 952692626 /nfs/dbraw/zinc/69/26/26/952692626.db2.gz HCGBIBIGXYRHSB-NHYWBVRUSA-N 1 0 380.412 -0.045 20 0 GBADRO C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571155082 952692806 /nfs/dbraw/zinc/69/28/06/952692806.db2.gz HCGBIBIGXYRHSB-XHDPSFHLSA-N 1 0 380.412 -0.045 20 0 GBADRO Cc1cc(N[C@H]2CCN(C(=O)Cn3ccccc3=O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158687 952713990 /nfs/dbraw/zinc/71/39/90/952713990.db2.gz MKQHTMIJQKADMB-ZDUSSCGKSA-N 1 0 380.412 -0.133 20 0 GBADRO Cn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1=O ZINC001571160295 952725359 /nfs/dbraw/zinc/72/53/59/952725359.db2.gz GUNCBLKKGJSYJP-AWEZNQCLSA-N 1 0 380.412 -0.035 20 0 GBADRO Cn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1=O ZINC001571160297 952725377 /nfs/dbraw/zinc/72/53/77/952725377.db2.gz GUNCBLKKGJSYJP-CQSZACIVSA-N 1 0 380.412 -0.035 20 0 GBADRO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1=O ZINC001571160345 952726055 /nfs/dbraw/zinc/72/60/55/952726055.db2.gz HNLKXBWBUKUKQG-VIKVFOODSA-N 1 0 380.412 -0.246 20 0 GBADRO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc1=O ZINC001571160983 952729585 /nfs/dbraw/zinc/72/95/85/952729585.db2.gz OCRPXLMMBPGWPQ-CYBMUJFWSA-N 1 0 380.412 -0.035 20 0 GBADRO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc1=O ZINC001571160985 952729149 /nfs/dbraw/zinc/72/91/49/952729149.db2.gz OCRPXLMMBPGWPQ-ZDUSSCGKSA-N 1 0 380.412 -0.035 20 0 GBADRO 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O=C(N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001571175942 952828021 /nfs/dbraw/zinc/82/80/21/952828021.db2.gz IXRNMAZASWPGRP-PWSUYJOCSA-N 1 0 381.400 -0.223 20 0 GBADRO O=C(N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1c[nH]c(=O)cn1 ZINC001571175943 952827955 /nfs/dbraw/zinc/82/79/55/952827955.db2.gz IXRNMAZASWPGRP-ZYHUDNBSSA-N 1 0 381.400 -0.223 20 0 GBADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cnc2n1CCOC2 ZINC001571176166 952829454 /nfs/dbraw/zinc/82/94/54/952829454.db2.gz NAJCZHIMMVVTRK-XYPYZODXSA-N 1 0 381.400 -0.217 20 0 GBADRO Cn1nc(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)ccc1=O ZINC001571176180 952829151 /nfs/dbraw/zinc/82/91/51/952829151.db2.gz NQYJRGDHNBLUAK-UHFFFAOYSA-N 1 0 381.400 -0.506 20 0 GBADRO Cn1nc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)ccc1=O ZINC001571176653 952834320 /nfs/dbraw/zinc/83/43/20/952834320.db2.gz WUIQGBBFXOWCOP-XYPYZODXSA-N 1 0 381.400 -0.602 20 0 GBADRO NC(=O)c1ccc(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)[nH]1 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381.400 -0.447 20 0 GBADRO Cc1cc(N2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178919 952849641 /nfs/dbraw/zinc/84/96/41/952849641.db2.gz YBZZCUFXEMQYMA-TXEJJXNPSA-N 1 0 381.404 -0.849 20 0 GBADRO O=C(c1cc2n(n1)CCO2)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178954 952850969 /nfs/dbraw/zinc/85/09/69/952850969.db2.gz YXKSYELUBGBAQV-LLVKDONJSA-N 1 0 381.400 -0.011 20 0 GBADRO O=C(c1cc2n(n1)CCO2)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178955 952851097 /nfs/dbraw/zinc/85/10/97/952851097.db2.gz YXKSYELUBGBAQV-NSHDSACASA-N 1 0 381.400 -0.011 20 0 GBADRO O=C(c1cc2n(n1)CCCO2)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178980 952850204 /nfs/dbraw/zinc/85/02/04/952850204.db2.gz ZVHSXTDMIBZMOV-LLVKDONJSA-N 1 0 381.400 -0.011 20 0 GBADRO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CC1=O ZINC001571183233 952875601 /nfs/dbraw/zinc/87/56/01/952875601.db2.gz UBBJZMBVYKSTTB-AIANPOQGSA-N 1 0 381.440 -0.109 20 0 GBADRO 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Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252392 953327475 /nfs/dbraw/zinc/32/74/75/953327475.db2.gz ZSPYDNNFCYKJKD-QWHCGFSZSA-N 1 0 384.444 -0.079 20 0 GBADRO Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252394 953327565 /nfs/dbraw/zinc/32/75/65/953327565.db2.gz ZSPYDNNFCYKJKD-STQMWFEESA-N 1 0 384.444 -0.079 20 0 GBADRO O=C(N[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571252396 953327311 /nfs/dbraw/zinc/32/73/11/953327311.db2.gz ZTFVMEGBASRFDO-KGLIPLIRSA-N 1 0 384.444 -0.133 20 0 GBADRO O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571252398 953327051 /nfs/dbraw/zinc/32/70/51/953327051.db2.gz ZTFVMEGBASRFDO-ZIAGYGMSSA-N 1 0 384.444 -0.133 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571254789 953343295 /nfs/dbraw/zinc/34/32/95/953343295.db2.gz JBWOAYSJHDOFAZ-JYKNGBAOSA-N 1 0 385.403 -0.326 20 0 GBADRO Cc1nonc1C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571255040 953344110 /nfs/dbraw/zinc/34/41/10/953344110.db2.gz GBGUIJRVKMDCGR-LLVKDONJSA-N 1 0 385.388 -0.363 20 0 GBADRO Cc1nonc1C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571255041 953344414 /nfs/dbraw/zinc/34/44/14/953344414.db2.gz GBGUIJRVKMDCGR-NSHDSACASA-N 1 0 385.388 -0.363 20 0 GBADRO Cc1nnc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2O)o1 ZINC001571255049 953344811 /nfs/dbraw/zinc/34/48/11/953344811.db2.gz GGOGKDOYEFYAFP-DGCLKSJQSA-N 1 0 385.388 -0.830 20 0 GBADRO Cc1nonc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001571255290 953347809 /nfs/dbraw/zinc/34/78/09/953347809.db2.gz HNZJLKLCXXIWQH-AAEUAGOBSA-N 1 0 385.388 -0.369 20 0 GBADRO Cc1nonc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571255291 953348078 /nfs/dbraw/zinc/34/80/78/953348078.db2.gz HNZJLKLCXXIWQH-DGCLKSJQSA-N 1 0 385.388 -0.369 20 0 GBADRO Cc1nonc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571255292 953348157 /nfs/dbraw/zinc/34/81/57/953348157.db2.gz HNZJLKLCXXIWQH-WCQYABFASA-N 1 0 385.388 -0.369 20 0 GBADRO Cc1nonc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001571255293 953347853 /nfs/dbraw/zinc/34/78/53/953347853.db2.gz HNZJLKLCXXIWQH-YPMHNXCESA-N 1 0 385.388 -0.369 20 0 GBADRO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571258746 945364652 /nfs/dbraw/zinc/36/46/52/945364652.db2.gz AOJGWIOQHZZSNX-ABAIWWIYSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571258747 945363632 /nfs/dbraw/zinc/36/36/32/945363632.db2.gz AOJGWIOQHZZSNX-IAQYHMDHSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571258748 945365377 /nfs/dbraw/zinc/36/53/77/945365377.db2.gz AOJGWIOQHZZSNX-NHYWBVRUSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001571258749 945363122 /nfs/dbraw/zinc/36/31/22/945363122.db2.gz AOJGWIOQHZZSNX-XHDPSFHLSA-N 1 0 385.432 -0.052 20 0 GBADRO Cc1cc(NC[C@H]2CN(C(=O)C3=CCOCC3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571258766 945364099 /nfs/dbraw/zinc/36/40/99/945364099.db2.gz BCNXDPQJPXTZQP-AWEZNQCLSA-N 1 0 385.428 -0.022 20 0 GBADRO Cc1cc(NC[C@@H]2CN(C(=O)C3=CCOCC3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571258767 945363032 /nfs/dbraw/zinc/36/30/32/945363032.db2.gz BCNXDPQJPXTZQP-CQSZACIVSA-N 1 0 385.428 -0.022 20 0 GBADRO O=C(CN1CCOCC1=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571258815 945367094 /nfs/dbraw/zinc/36/70/94/945367094.db2.gz CDXUHRMRUFPZCH-HNNXBMFYSA-N 1 0 385.428 -0.584 20 0 GBADRO O=C(CN1CCOCC1=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571258816 945368119 /nfs/dbraw/zinc/36/81/19/945368119.db2.gz CDXUHRMRUFPZCH-OAHLLOKOSA-N 1 0 385.428 -0.584 20 0 GBADRO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1-c1nn[nH]n1 ZINC001571258830 945368136 /nfs/dbraw/zinc/36/81/36/945368136.db2.gz CLMQWGGNQCUCNS-TZMCWYRMSA-N 1 0 385.428 -0.156 20 0 GBADRO Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571259011 945372556 /nfs/dbraw/zinc/37/25/56/945372556.db2.gz BVZAQGMRUBAGHW-BXUZGUMPSA-N 1 0 385.432 -0.581 20 0 GBADRO Cc1cc(NC[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571259017 945373095 /nfs/dbraw/zinc/37/30/95/945373095.db2.gz BVZAQGMRUBAGHW-RISCZKNCSA-N 1 0 385.432 -0.581 20 0 GBADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc1-c1nn[nH]n1 ZINC001571259113 945376410 /nfs/dbraw/zinc/37/64/10/945376410.db2.gz HTGRFPFJZVONFS-JSGCOSHPSA-N 1 0 385.428 -0.156 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001571259114 945378296 /nfs/dbraw/zinc/37/82/96/945378296.db2.gz HYEJBYHTGACJQI-VHDGCEQUSA-N 1 0 385.428 -0.410 20 0 GBADRO O=C(C1=CCOCC1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571259205 945380969 /nfs/dbraw/zinc/38/09/69/945380969.db2.gz JIKLTMZYKBDRCR-UHFFFAOYSA-N 1 0 385.428 -0.204 20 0 GBADRO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)cc1-c1nn[nH]n1 ZINC001571259317 945382948 /nfs/dbraw/zinc/38/29/48/945382948.db2.gz KMSVDTRBJYKYBP-CQSZACIVSA-N 1 0 385.428 -0.298 20 0 GBADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001571259350 945383932 /nfs/dbraw/zinc/38/39/32/945383932.db2.gz LRZOOVXAUSUMLR-LPWJVIDDSA-N 1 0 385.428 -0.267 20 0 GBADRO NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571259366 945386788 /nfs/dbraw/zinc/38/67/88/945386788.db2.gz FYPHLBWUESAEMU-WDMOLILDSA-N 1 0 385.432 -0.467 20 0 GBADRO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1-c1nn[nH]n1 ZINC001571259378 945386245 /nfs/dbraw/zinc/38/62/45/945386245.db2.gz MGUDKECNKCSUFM-UPJWGTAASA-N 1 0 385.428 -0.313 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)O1 ZINC001571259413 945385772 /nfs/dbraw/zinc/38/57/72/945385772.db2.gz MVLDYGAGUZLFFF-QLFBSQMISA-N 1 0 385.428 -0.410 20 0 GBADRO CN1C[C@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)NC1=O ZINC001571259588 945390428 /nfs/dbraw/zinc/39/04/28/945390428.db2.gz IDUNUNYDAMMYRD-GFCCVEGCSA-N 1 0 385.432 -0.240 20 0 GBADRO CN1C[C@@H](C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)NC1=O ZINC001571259593 945392232 /nfs/dbraw/zinc/39/22/32/945392232.db2.gz IDUNUNYDAMMYRD-LBPRGKRZSA-N 1 0 385.432 -0.240 20 0 GBADRO O=C(NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1)C12CC[NH+](CC1)C2 ZINC001571259631 945394490 /nfs/dbraw/zinc/39/44/90/945394490.db2.gz IOXHXVZRVCVQPL-GFCCVEGCSA-N 1 0 385.432 -0.926 20 0 GBADRO O=C(NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1)C12CC[NH+](CC1)C2 ZINC001571259633 945394535 /nfs/dbraw/zinc/39/45/35/945394535.db2.gz IOXHXVZRVCVQPL-LBPRGKRZSA-N 1 0 385.432 -0.926 20 0 GBADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1nnnn1C ZINC001571259641 945394781 /nfs/dbraw/zinc/39/47/81/945394781.db2.gz IQMZQNBUFGFFBG-GHMZBOCLSA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1nnnn1C ZINC001571259643 945393016 /nfs/dbraw/zinc/39/30/16/945393016.db2.gz IQMZQNBUFGFFBG-MNOVXSKESA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1nnnn1C ZINC001571259645 945393661 /nfs/dbraw/zinc/39/36/61/945393661.db2.gz IQMZQNBUFGFFBG-QWRGUYRKSA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1nnnn1C ZINC001571259647 945394704 /nfs/dbraw/zinc/39/47/04/945394704.db2.gz IQMZQNBUFGFFBG-WDEREUQCSA-N 1 0 385.436 -0.079 20 0 GBADRO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571259671 945394421 /nfs/dbraw/zinc/39/44/21/945394421.db2.gz JCUQFNLJBXMKGG-FZMZJTMJSA-N 1 0 385.432 -0.370 20 0 GBADRO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571259672 945393613 /nfs/dbraw/zinc/39/36/13/945393613.db2.gz JCUQFNLJBXMKGG-RISCZKNCSA-N 1 0 385.432 -0.370 20 0 GBADRO O=C(N1CCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571259677 945396059 /nfs/dbraw/zinc/39/60/59/945396059.db2.gz JFEWTSCEMNDQIX-GFCCVEGCSA-N 1 0 385.432 -0.608 20 0 GBADRO O=C(N1CCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571259678 945396795 /nfs/dbraw/zinc/39/67/95/945396795.db2.gz JFEWTSCEMNDQIX-LBPRGKRZSA-N 1 0 385.432 -0.608 20 0 GBADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571259762 945399376 /nfs/dbraw/zinc/39/93/76/945399376.db2.gz QRCFGLFLGRQZAR-BXUZGUMPSA-N 1 0 385.432 -0.642 20 0 GBADRO C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571259763 945398557 /nfs/dbraw/zinc/39/85/57/945398557.db2.gz QRCFGLFLGRQZAR-FZMZJTMJSA-N 1 0 385.432 -0.642 20 0 GBADRO C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571259764 945400299 /nfs/dbraw/zinc/40/02/99/945400299.db2.gz QRCFGLFLGRQZAR-RISCZKNCSA-N 1 0 385.432 -0.642 20 0 GBADRO C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571259765 945398633 /nfs/dbraw/zinc/39/86/33/945398633.db2.gz QRCFGLFLGRQZAR-SMDDNHRTSA-N 1 0 385.432 -0.642 20 0 GBADRO C[C@]12CN(C(=O)[C@H]3COCCO3)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571259771 945399228 /nfs/dbraw/zinc/39/92/28/945399228.db2.gz QVIVCYWOAQGZAW-DWQUBVKVSA-N 1 0 385.428 -0.038 20 0 GBADRO C[C@]12CN(C(=O)[C@@H]3COCCO3)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571259772 945398165 /nfs/dbraw/zinc/39/81/65/945398165.db2.gz QVIVCYWOAQGZAW-MRAWALMUSA-N 1 0 385.428 -0.038 20 0 GBADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571259774 945398985 /nfs/dbraw/zinc/39/89/85/945398985.db2.gz QVKKTBCRLSJTSC-ABAIWWIYSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571259775 945399534 /nfs/dbraw/zinc/39/95/34/945399534.db2.gz QVKKTBCRLSJTSC-IAQYHMDHSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571259776 945399525 /nfs/dbraw/zinc/39/95/25/945399525.db2.gz QVKKTBCRLSJTSC-NHYWBVRUSA-N 1 0 385.432 -0.052 20 0 GBADRO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571259777 945399624 /nfs/dbraw/zinc/39/96/24/945399624.db2.gz QVKKTBCRLSJTSC-XHDPSFHLSA-N 1 0 385.432 -0.052 20 0 GBADRO CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571259778 945399034 /nfs/dbraw/zinc/39/90/34/945399034.db2.gz QWBXUGSBCYKQKU-MGULZYLOSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571259842 945402024 /nfs/dbraw/zinc/40/20/24/945402024.db2.gz LIWTZEQRVNWEMZ-JBLDHEPKSA-N 1 0 385.436 -0.032 20 0 GBADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571259843 945401050 /nfs/dbraw/zinc/40/10/50/945401050.db2.gz LIWTZEQRVNWEMZ-JFGNBEQYSA-N 1 0 385.436 -0.032 20 0 GBADRO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571259995 945405619 /nfs/dbraw/zinc/40/56/19/945405619.db2.gz VFXWJGBLGCLFOX-HUUCEWRRSA-N 1 0 385.428 -0.850 20 0 GBADRO Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260004 945405248 /nfs/dbraw/zinc/40/52/48/945405248.db2.gz VKXKDQFGTXBYRZ-UYHMYPTGSA-N 1 0 385.428 -0.476 20 0 GBADRO Cc1cc(NC[C@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260005 945405935 /nfs/dbraw/zinc/40/59/35/945405935.db2.gz VKXKDQFGTXBYRZ-YYWXWVFPSA-N 1 0 385.428 -0.476 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260091 945407547 /nfs/dbraw/zinc/40/75/47/945407547.db2.gz OTQDQBHZSZCKOT-KBPBESRZSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260096 945407940 /nfs/dbraw/zinc/40/79/40/945407940.db2.gz OTQDQBHZSZCKOT-KGLIPLIRSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260098 945407904 /nfs/dbraw/zinc/40/79/04/945407904.db2.gz OTQDQBHZSZCKOT-UONOGXRCSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571260100 945407806 /nfs/dbraw/zinc/40/78/06/945407806.db2.gz OTQDQBHZSZCKOT-ZIAGYGMSSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571260133 945407473 /nfs/dbraw/zinc/40/74/73/945407473.db2.gz WHBMNEYPVDJBAA-CQSZACIVSA-N 1 0 385.428 -0.584 20 0 GBADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260137 945407422 /nfs/dbraw/zinc/40/74/22/945407422.db2.gz PGJGKXYCKCQOTM-RISCZKNCSA-N 1 0 385.432 -0.452 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001571260141 945407483 /nfs/dbraw/zinc/40/74/83/945407483.db2.gz WLJWTBXBCMHQPW-KFWWJZLASA-N 1 0 385.428 -0.946 20 0 GBADRO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001571260142 945407067 /nfs/dbraw/zinc/40/70/67/945407067.db2.gz WLJWTBXBCMHQPW-ZNMIVQPWSA-N 1 0 385.428 -0.946 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260343 945411790 /nfs/dbraw/zinc/41/17/90/945411790.db2.gz PYFXYRKNIKKPLH-KBPBESRZSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260344 945411804 /nfs/dbraw/zinc/41/18/04/945411804.db2.gz PYFXYRKNIKKPLH-KGLIPLIRSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260345 945412388 /nfs/dbraw/zinc/41/23/88/945412388.db2.gz PYFXYRKNIKKPLH-UONOGXRCSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571260346 945411533 /nfs/dbraw/zinc/41/15/33/945411533.db2.gz PYFXYRKNIKKPLH-ZIAGYGMSSA-N 1 0 385.432 -0.353 20 0 GBADRO Cc1cc(NC2(C)CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260347 945412185 /nfs/dbraw/zinc/41/21/85/945412185.db2.gz QAZJHUJPTIVCNU-CYBMUJFWSA-N 1 0 385.432 -0.534 20 0 GBADRO Cc1cc(NC2(C)CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260348 945412198 /nfs/dbraw/zinc/41/21/98/945412198.db2.gz QAZJHUJPTIVCNU-ZDUSSCGKSA-N 1 0 385.432 -0.534 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260408 945414461 /nfs/dbraw/zinc/41/44/61/945414461.db2.gz RULPUGVNTWFNRC-QWHCGFSZSA-N 1 0 385.432 -0.353 20 0 GBADRO O=C(N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260409 945413745 /nfs/dbraw/zinc/41/37/45/945413745.db2.gz RULPUGVNTWFNRC-STQMWFEESA-N 1 0 385.432 -0.353 20 0 GBADRO Cc1cc(N[C@@H]2CCN(C(=O)CN3CCCNC3=O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260476 945416170 /nfs/dbraw/zinc/41/61/70/945416170.db2.gz UKWMGMZFRYVJSH-GFCCVEGCSA-N 1 0 385.432 -0.580 20 0 GBADRO O=C(NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1)C12CC[NH+](CC1)C2 ZINC001571260510 945416506 /nfs/dbraw/zinc/41/65/06/945416506.db2.gz VEVUUDBGUCVYNH-GFCCVEGCSA-N 1 0 385.432 -0.926 20 0 GBADRO O=C(NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1)C12CC[NH+](CC1)C2 ZINC001571260511 945415962 /nfs/dbraw/zinc/41/59/62/945415962.db2.gz VEVUUDBGUCVYNH-LBPRGKRZSA-N 1 0 385.432 -0.926 20 0 GBADRO CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260514 945416044 /nfs/dbraw/zinc/41/60/44/945416044.db2.gz VGNXXLPQPNKWNY-HUUCEWRRSA-N 1 0 385.432 -0.400 20 0 GBADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571260516 945416591 /nfs/dbraw/zinc/41/65/91/945416591.db2.gz VHKXOJSVOUMQLY-GHMZBOCLSA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571260517 945416015 /nfs/dbraw/zinc/41/60/15/945416015.db2.gz VHKXOJSVOUMQLY-MNOVXSKESA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571260518 945418214 /nfs/dbraw/zinc/41/82/14/945418214.db2.gz VHKXOJSVOUMQLY-QWRGUYRKSA-N 1 0 385.436 -0.079 20 0 GBADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1nnnn1C ZINC001571260519 945418315 /nfs/dbraw/zinc/41/83/15/945418315.db2.gz VHKXOJSVOUMQLY-WDEREUQCSA-N 1 0 385.436 -0.079 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571260548 945417940 /nfs/dbraw/zinc/41/79/40/945417940.db2.gz WLBZFPHYDJOJAE-AWEZNQCLSA-N 1 0 385.432 -0.594 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571260549 945417982 /nfs/dbraw/zinc/41/79/82/945417982.db2.gz WLBZFPHYDJOJAE-CQSZACIVSA-N 1 0 385.432 -0.594 20 0 GBADRO Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001571260660 945420408 /nfs/dbraw/zinc/42/04/08/945420408.db2.gz YLIIXABIZDHVGJ-CYBMUJFWSA-N 1 0 385.432 -0.051 20 0 GBADRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001571260661 945419980 /nfs/dbraw/zinc/41/99/80/945419980.db2.gz YLIIXABIZDHVGJ-ZDUSSCGKSA-N 1 0 385.432 -0.051 20 0 GBADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260672 945420541 /nfs/dbraw/zinc/42/05/41/945420541.db2.gz YVEQDXBCRRBLMQ-SWHYSGLUSA-N 1 0 385.432 -0.445 20 0 GBADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263948 945471070 /nfs/dbraw/zinc/47/10/70/945471070.db2.gz COIOZXPOKNHESN-XKQJLSEDSA-N 1 0 385.472 -0.130 20 0 GBADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571263949 945471618 /nfs/dbraw/zinc/47/16/18/945471618.db2.gz COIOZXPOKNHESN-XYPHTWIQSA-N 1 0 385.472 -0.130 20 0 GBADRO C[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001571264190 945477963 /nfs/dbraw/zinc/47/79/63/945477963.db2.gz IJSHJMYYAZIJKN-IAGOWNOFSA-N 1 0 385.472 -0.130 20 0 GBADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C(F)(F)F ZINC001571266889 945556343 /nfs/dbraw/zinc/55/63/43/945556343.db2.gz BJHYAOCKKFUBMT-PSASIEDQSA-N 1 0 386.338 -0.337 20 0 GBADRO NC(=O)C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C(F)(F)F ZINC001571266890 945556233 /nfs/dbraw/zinc/55/62/33/945556233.db2.gz BJHYAOCKKFUBMT-SCZZXKLOSA-N 1 0 386.338 -0.337 20 0 GBADRO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C(F)(F)F ZINC001571266891 945557208 /nfs/dbraw/zinc/55/72/08/945557208.db2.gz BJHYAOCKKFUBMT-WCBMZHEXSA-N 1 0 386.338 -0.337 20 0 GBADRO NC(=O)C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C(F)(F)F ZINC001571266892 945556170 /nfs/dbraw/zinc/55/61/70/945556170.db2.gz BJHYAOCKKFUBMT-WPRPVWTQSA-N 1 0 386.338 -0.337 20 0 GBADRO O=C(Cn1cnnn1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571267613 945575794 /nfs/dbraw/zinc/57/57/94/945575794.db2.gz ACFUZURAZFPJBO-UHFFFAOYSA-N 1 0 386.395 -0.323 20 0 GBADRO Cn1nnc(C(=O)NCC2CC([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571267659 945575376 /nfs/dbraw/zinc/57/53/76/945575376.db2.gz BDMPHGQSRKBBPG-UHFFFAOYSA-N 1 0 386.395 -0.173 20 0 GBADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001571267696 945577846 /nfs/dbraw/zinc/57/78/46/945577846.db2.gz BVXIETRTMYRDEJ-QMTHXVAHSA-N 1 0 386.395 -0.371 20 0 GBADRO O=C(Cn1ncnn1)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571267767 945578980 /nfs/dbraw/zinc/57/89/80/945578980.db2.gz DJSGSEBWSWPTPG-UHFFFAOYSA-N 1 0 386.395 -0.227 20 0 GBADRO CCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001571267775 945580254 /nfs/dbraw/zinc/58/02/54/945580254.db2.gz DOGLLMMDWMDRHJ-CYBMUJFWSA-N 1 0 386.416 -0.025 20 0 GBADRO CCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001571267776 945580192 /nfs/dbraw/zinc/58/01/92/945580192.db2.gz DOGLLMMDWMDRHJ-ZDUSSCGKSA-N 1 0 386.416 -0.025 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571267801 945578992 /nfs/dbraw/zinc/57/89/92/945578992.db2.gz FBOGIMGYUUIOLP-CYBMUJFWSA-N 1 0 386.395 -0.227 20 0 GBADRO O=C(CCn1cnnn1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571267802 945580082 /nfs/dbraw/zinc/58/00/82/945580082.db2.gz FFHBRFVSPSDOIL-ZDUSSCGKSA-N 1 0 386.395 -0.227 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571267809 945578466 /nfs/dbraw/zinc/57/84/66/945578466.db2.gz FONPDLKUYWCSND-QMTHXVAHSA-N 1 0 386.395 -0.371 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571267856 945581196 /nfs/dbraw/zinc/58/11/96/945581196.db2.gz GTNHHRDJANWKMP-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001571267903 945581536 /nfs/dbraw/zinc/58/15/36/945581536.db2.gz IHEVLAOMLUISRG-QMTHXVAHSA-N 1 0 386.395 -0.371 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571267952 945584141 /nfs/dbraw/zinc/58/41/41/945584141.db2.gz JVGYUMPFUVKSSB-CYBMUJFWSA-N 1 0 386.395 -0.227 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267953 945583569 /nfs/dbraw/zinc/58/35/69/945583569.db2.gz JVLDHCSESHTEIW-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267954 945583914 /nfs/dbraw/zinc/58/39/14/945583914.db2.gz JVLDHCSESHTEIW-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267955 945583597 /nfs/dbraw/zinc/58/35/97/945583597.db2.gz JVLDHCSESHTEIW-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cnnn1 ZINC001571267956 945584535 /nfs/dbraw/zinc/58/45/35/945584535.db2.gz JVLDHCSESHTEIW-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267959 945584205 /nfs/dbraw/zinc/58/42/05/945584205.db2.gz JWIDZKKNBOMWTH-NOZJJQNGSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267960 945583368 /nfs/dbraw/zinc/58/33/68/945583368.db2.gz JWIDZKKNBOMWTH-RNCFNFMXSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267961 945583248 /nfs/dbraw/zinc/58/32/48/945583248.db2.gz JWIDZKKNBOMWTH-TVQRCGJNSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571267962 945584611 /nfs/dbraw/zinc/58/46/11/945584611.db2.gz JWIDZKKNBOMWTH-ZANVPECISA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571267988 945583645 /nfs/dbraw/zinc/58/36/45/945583645.db2.gz KMCRPVSEAMYIHV-HZMBPMFUSA-N 1 0 386.395 -0.371 20 0 GBADRO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571267989 945583308 /nfs/dbraw/zinc/58/33/08/945583308.db2.gz KMCRPVSEAMYIHV-IINYFYTJSA-N 1 0 386.395 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571267990 945582795 /nfs/dbraw/zinc/58/27/95/945582795.db2.gz KMCRPVSEAMYIHV-QMTHXVAHSA-N 1 0 386.395 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571267991 945584472 /nfs/dbraw/zinc/58/44/72/945584472.db2.gz KMCRPVSEAMYIHV-YGRLFVJLSA-N 1 0 386.395 -0.371 20 0 GBADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571267994 945583858 /nfs/dbraw/zinc/58/38/58/945583858.db2.gz KSPMYZCUILMSIN-NOZJJQNGSA-N 1 0 386.395 -0.220 20 0 GBADRO CN(C(=O)Cn1ncnn1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571268015 945586536 /nfs/dbraw/zinc/58/65/36/945586536.db2.gz LFOOQCLKBFPTHL-UHFFFAOYSA-N 1 0 386.395 -0.229 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571268085 945587902 /nfs/dbraw/zinc/58/79/02/945587902.db2.gz NQCXWHCTNHMNAU-ZDUSSCGKSA-N 1 0 386.395 -0.227 20 0 GBADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1=O ZINC001571268180 945590431 /nfs/dbraw/zinc/59/04/31/945590431.db2.gz BYEWRXSZEGYUGF-GHMZBOCLSA-N 1 0 386.420 -0.553 20 0 GBADRO Cn1[nH]c(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1=O ZINC001571268181 945590345 /nfs/dbraw/zinc/59/03/45/945590345.db2.gz BYEWRXSZEGYUGF-MNOVXSKESA-N 1 0 386.420 -0.553 20 0 GBADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1=O ZINC001571268182 945589590 /nfs/dbraw/zinc/58/95/90/945589590.db2.gz BYEWRXSZEGYUGF-QWRGUYRKSA-N 1 0 386.420 -0.553 20 0 GBADRO Cn1[nH]c(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1=O ZINC001571268183 945590329 /nfs/dbraw/zinc/59/03/29/945590329.db2.gz BYEWRXSZEGYUGF-WDEREUQCSA-N 1 0 386.420 -0.553 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571268213 945589645 /nfs/dbraw/zinc/58/96/45/945589645.db2.gz OJWDOIXBSPRMGE-QMTHXVAHSA-N 1 0 386.395 -0.371 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571268379 945593379 /nfs/dbraw/zinc/59/33/79/945593379.db2.gz FNQHBMDENXQKBI-AWEZNQCLSA-N 1 0 386.416 -0.167 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571268380 945594077 /nfs/dbraw/zinc/59/40/77/945594077.db2.gz FNQHBMDENXQKBI-CQSZACIVSA-N 1 0 386.416 -0.167 20 0 GBADRO O=C(Cn1cnnn1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571268438 945596298 /nfs/dbraw/zinc/59/62/98/945596298.db2.gz RZBBABCFBWSICC-UHFFFAOYSA-N 1 0 386.395 -0.227 20 0 GBADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001571268459 945595397 /nfs/dbraw/zinc/59/53/97/945595397.db2.gz SOGBDXZNRWWEOG-HZMBPMFUSA-N 1 0 386.416 -0.169 20 0 GBADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001571268460 945596067 /nfs/dbraw/zinc/59/60/67/945596067.db2.gz SOGBDXZNRWWEOG-IINYFYTJSA-N 1 0 386.416 -0.169 20 0 GBADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001571268461 945595462 /nfs/dbraw/zinc/59/54/62/945595462.db2.gz SOGBDXZNRWWEOG-QMTHXVAHSA-N 1 0 386.416 -0.169 20 0 GBADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001571268462 945595794 /nfs/dbraw/zinc/59/57/94/945595794.db2.gz SOGBDXZNRWWEOG-YGRLFVJLSA-N 1 0 386.416 -0.169 20 0 GBADRO O=C(Cn1cnnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571268496 945598840 /nfs/dbraw/zinc/59/88/40/945598840.db2.gz UHVUXJNOPGZAEE-LLVKDONJSA-N 1 0 386.395 -0.369 20 0 GBADRO O=C(Cn1cnnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571268497 945598654 /nfs/dbraw/zinc/59/86/54/945598654.db2.gz UHVUXJNOPGZAEE-NSHDSACASA-N 1 0 386.395 -0.369 20 0 GBADRO Cn1[nH]c(C[NH2+]C2(C)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nc1=O ZINC001571268517 945598756 /nfs/dbraw/zinc/59/87/56/945598756.db2.gz GJORXRDOCZAXNS-UHFFFAOYSA-N 1 0 386.420 -0.599 20 0 GBADRO O=C(Cn1cnnn1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571268633 945599876 /nfs/dbraw/zinc/59/98/76/945599876.db2.gz VISARTPWBSZHHP-UHFFFAOYSA-N 1 0 386.395 -0.227 20 0 GBADRO Cn1nnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001571268639 945600642 /nfs/dbraw/zinc/60/06/42/945600642.db2.gz VLVVKCPTHPEKAI-GFCCVEGCSA-N 1 0 386.395 -0.076 20 0 GBADRO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001571268640 945601558 /nfs/dbraw/zinc/60/15/58/945601558.db2.gz VLVVKCPTHPEKAI-LBPRGKRZSA-N 1 0 386.395 -0.076 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571268647 945601958 /nfs/dbraw/zinc/60/19/58/945601958.db2.gz VSUZDAOSIHNUCR-CYBMUJFWSA-N 1 0 386.395 -0.227 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571268658 945601515 /nfs/dbraw/zinc/60/15/15/945601515.db2.gz WGBAGRRLOGEZFP-GFCCVEGCSA-N 1 0 386.395 -0.227 20 0 GBADRO O=C(Cn1cnnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571268659 945602290 /nfs/dbraw/zinc/60/22/90/945602290.db2.gz WGBAGRRLOGEZFP-LBPRGKRZSA-N 1 0 386.395 -0.227 20 0 GBADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571268677 945602450 /nfs/dbraw/zinc/60/24/50/945602450.db2.gz WLXKCSVDIHCQBL-NOZJJQNGSA-N 1 0 386.395 -0.220 20 0 GBADRO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571268678 945602606 /nfs/dbraw/zinc/60/26/06/945602606.db2.gz WLXKCSVDIHCQBL-RNCFNFMXSA-N 1 0 386.395 -0.220 20 0 GBADRO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571268679 945601627 /nfs/dbraw/zinc/60/16/27/945601627.db2.gz WLXKCSVDIHCQBL-TVQRCGJNSA-N 1 0 386.395 -0.220 20 0 GBADRO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571268680 945602651 /nfs/dbraw/zinc/60/26/51/945602651.db2.gz WLXKCSVDIHCQBL-ZANVPECISA-N 1 0 386.395 -0.220 20 0 GBADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268720 945603578 /nfs/dbraw/zinc/60/35/78/945603578.db2.gz IRYWGIQGAUEKDA-NXEZZACHSA-N 1 0 386.420 -0.695 20 0 GBADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268721 945603962 /nfs/dbraw/zinc/60/39/62/945603962.db2.gz IRYWGIQGAUEKDA-UWVGGRQHSA-N 1 0 386.420 -0.695 20 0 GBADRO Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268722 945604284 /nfs/dbraw/zinc/60/42/84/945604284.db2.gz IRYWGIQGAUEKDA-VHSXEESVSA-N 1 0 386.420 -0.695 20 0 GBADRO Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268723 945603400 /nfs/dbraw/zinc/60/34/00/945603400.db2.gz IRYWGIQGAUEKDA-ZJUUUORDSA-N 1 0 386.420 -0.695 20 0 GBADRO O=C(N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001571268791 945603537 /nfs/dbraw/zinc/60/35/37/945603537.db2.gz KLPWVZRKLSJKJL-JTNHKYCSSA-N 1 0 386.416 -0.121 20 0 GBADRO O=C(N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001571268793 945604261 /nfs/dbraw/zinc/60/42/61/945604261.db2.gz KLPWVZRKLSJKJL-MJVIPROJSA-N 1 0 386.416 -0.121 20 0 GBADRO O=C(Cn1ncnn1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571268801 945606100 /nfs/dbraw/zinc/60/61/00/945606100.db2.gz XMUMTIQOBBBKPR-HAQNSBGRSA-N 1 0 386.395 -0.323 20 0 GBADRO O=C(CCn1cnnn1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571268882 945608349 /nfs/dbraw/zinc/60/83/49/945608349.db2.gz YEDSIIAXNWPKPM-GFCCVEGCSA-N 1 0 386.395 -0.227 20 0 GBADRO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001571268896 945607812 /nfs/dbraw/zinc/60/78/12/945607812.db2.gz YULFBDIPMKJAAT-BPLDGKMQSA-N 1 0 386.412 -0.519 20 0 GBADRO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001571268897 945607868 /nfs/dbraw/zinc/60/78/68/945607868.db2.gz YULFBDIPMKJAAT-NWANDNLSSA-N 1 0 386.412 -0.519 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268898 945607889 /nfs/dbraw/zinc/60/78/89/945607889.db2.gz YVPRXAREMNJNEQ-NOZJJQNGSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268899 945607700 /nfs/dbraw/zinc/60/77/00/945607700.db2.gz YVPRXAREMNJNEQ-RNCFNFMXSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268900 945607827 /nfs/dbraw/zinc/60/78/27/945607827.db2.gz YVPRXAREMNJNEQ-TVQRCGJNSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nnn(C)n1 ZINC001571268901 945607748 /nfs/dbraw/zinc/60/77/48/945607748.db2.gz YVPRXAREMNJNEQ-ZANVPECISA-N 1 0 386.395 -0.078 20 0 GBADRO Cc1cc(N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571269090 945611721 /nfs/dbraw/zinc/61/17/21/945611721.db2.gz ONPGKWATAIPBIL-UONOGXRCSA-N 1 0 386.416 -0.748 20 0 GBADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001571269099 945612498 /nfs/dbraw/zinc/61/24/98/945612498.db2.gz ORFKNNQITMKHIW-GXSJLCMTSA-N 1 0 386.420 -0.743 20 0 GBADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001571269100 945611531 /nfs/dbraw/zinc/61/15/31/945611531.db2.gz ORFKNNQITMKHIW-KOLCDFICSA-N 1 0 386.420 -0.743 20 0 GBADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001571269101 945611599 /nfs/dbraw/zinc/61/15/99/945611599.db2.gz ORFKNNQITMKHIW-MWLCHTKSSA-N 1 0 386.420 -0.743 20 0 GBADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001571269102 945611249 /nfs/dbraw/zinc/61/12/49/945611249.db2.gz ORFKNNQITMKHIW-ONGXEEELSA-N 1 0 386.420 -0.743 20 0 GBADRO O=C([C@H]1COC(=O)N1)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571269139 945613453 /nfs/dbraw/zinc/61/34/53/945613453.db2.gz QCNTYHYOCCNXKF-BXUZGUMPSA-N 1 0 386.416 -0.167 20 0 GBADRO O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571269140 945613789 /nfs/dbraw/zinc/61/37/89/945613789.db2.gz QCNTYHYOCCNXKF-FZMZJTMJSA-N 1 0 386.416 -0.167 20 0 GBADRO 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CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001571272259 945657499 /nfs/dbraw/zinc/65/74/99/945657499.db2.gz BWQUVVKMVWCHNF-DAXOMENPSA-N 1 0 386.460 -0.077 20 0 GBADRO Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nn[nH]n1 ZINC001571272380 945661082 /nfs/dbraw/zinc/66/10/82/945661082.db2.gz CIRVLOROVHGQLU-KBPBESRZSA-N 1 0 386.460 -0.157 20 0 GBADRO Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nn[nH]n1 ZINC001571272381 945661485 /nfs/dbraw/zinc/66/14/85/945661485.db2.gz CIRVLOROVHGQLU-KGLIPLIRSA-N 1 0 386.460 -0.157 20 0 GBADRO Cc1nc(N2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nn[nH]n1 ZINC001571272382 945661202 /nfs/dbraw/zinc/66/12/02/945661202.db2.gz CIRVLOROVHGQLU-UONOGXRCSA-N 1 0 386.460 -0.157 20 0 GBADRO Cc1nc(N2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nn[nH]n1 ZINC001571272383 945662267 /nfs/dbraw/zinc/66/22/67/945662267.db2.gz CIRVLOROVHGQLU-ZIAGYGMSSA-N 1 0 386.460 -0.157 20 0 GBADRO O=C(CN1CCOCC1)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272438 945663368 /nfs/dbraw/zinc/66/33/68/945663368.db2.gz DRYRNYXTACXQAD-AWEZNQCLSA-N 1 0 386.460 -0.191 20 0 GBADRO O=C(CN1CCOCC1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272439 945663489 /nfs/dbraw/zinc/66/34/89/945663489.db2.gz DRYRNYXTACXQAD-CQSZACIVSA-N 1 0 386.460 -0.191 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001571272655 945667010 /nfs/dbraw/zinc/66/70/10/945667010.db2.gz GYOIXVLDUAADLJ-YJNKXOJESA-N 1 0 386.460 -0.342 20 0 GBADRO C[N@H+](CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CCC[C@H]1O ZINC001571272709 945669287 /nfs/dbraw/zinc/66/92/87/945669287.db2.gz HZRYUCQADBEFSD-HUUCEWRRSA-N 1 0 386.460 -0.245 20 0 GBADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)CC[N@@H+]1C ZINC001571272838 945674234 /nfs/dbraw/zinc/67/42/34/945674234.db2.gz JHIWRZWMILEIOM-BPLDGKMQSA-N 1 0 386.460 -0.077 20 0 GBADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)CCO2)CC[N@@H+]1C ZINC001571272839 945673952 /nfs/dbraw/zinc/67/39/52/945673952.db2.gz JHIWRZWMILEIOM-VHDGCEQUSA-N 1 0 386.460 -0.077 20 0 GBADRO Cc1cc(NC2CC(N(C)C(=O)CN3CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571272971 945675940 /nfs/dbraw/zinc/67/59/40/945675940.db2.gz LZTPMSBMSWRLFF-UHFFFAOYSA-N 1 0 386.460 -0.274 20 0 GBADRO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001571273044 945677695 /nfs/dbraw/zinc/67/76/95/945677695.db2.gz NWHSTAWPIZLCNG-ILXRZTDVSA-N 1 0 386.460 -0.280 20 0 GBADRO Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001571273045 945677156 /nfs/dbraw/zinc/67/71/56/945677156.db2.gz NWHSTAWPIZLCNG-KFWWJZLASA-N 1 0 386.460 -0.280 20 0 GBADRO Cc1cc(N2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273078 945680010 /nfs/dbraw/zinc/68/00/10/945680010.db2.gz OOGYFTFJSWUFKC-INIZCTEOSA-N 1 0 386.460 -0.014 20 0 GBADRO Cc1cc(N2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571273079 945679454 /nfs/dbraw/zinc/67/94/54/945679454.db2.gz OOGYFTFJSWUFKC-MRXNPFEDSA-N 1 0 386.460 -0.014 20 0 GBADRO O=C(CN1CCOCC1)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571273100 945678978 /nfs/dbraw/zinc/67/89/78/945678978.db2.gz PEYDHDVTWLRNDC-HDJSIYSDSA-N 1 0 386.460 -0.145 20 0 GBADRO O=C(CN1CCOCC1)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571273101 945680142 /nfs/dbraw/zinc/68/01/42/945680142.db2.gz PEYDHDVTWLRNDC-UHFFFAOYSA-N 1 0 386.460 -0.145 20 0 GBADRO C[NH+]1CCC(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)CC1 ZINC001571273144 945679438 /nfs/dbraw/zinc/67/94/38/945679438.db2.gz QHJHRPRLDMMEQE-CABCVRRESA-N 1 0 386.460 -0.341 20 0 GBADRO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001571273288 945684587 /nfs/dbraw/zinc/68/45/87/945684587.db2.gz USLPWAQRWNEFCH-ILXRZTDVSA-N 1 0 386.460 -0.280 20 0 GBADRO 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C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2ncccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571273517 945690423 /nfs/dbraw/zinc/69/04/23/945690423.db2.gz YWYZBPRLKDRNTH-HZSPNIEDSA-N 1 0 386.460 -0.077 20 0 GBADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571273518 945689683 /nfs/dbraw/zinc/68/96/83/945689683.db2.gz YWYZBPRLKDRNTH-MGPQQGTHSA-N 1 0 386.460 -0.077 20 0 GBADRO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+](C)C ZINC001571275703 945713662 /nfs/dbraw/zinc/71/36/62/945713662.db2.gz BCFIJPWZPLSTLA-MXYBEHONSA-N 1 0 386.460 -0.032 20 0 GBADRO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+](C)C ZINC001571275704 945714699 /nfs/dbraw/zinc/71/46/99/945714699.db2.gz BCFIJPWZPLSTLA-PAPYEOQZSA-N 1 0 386.460 -0.032 20 0 GBADRO CCN1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275736 945713634 /nfs/dbraw/zinc/71/36/34/945713634.db2.gz BPNVOXKUHPESGH-BBRMVZONSA-N 1 0 386.460 -0.274 20 0 GBADRO 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C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282718 945856658 /nfs/dbraw/zinc/85/66/58/945856658.db2.gz OJNWOJWGTQYQFO-JSGCOSHPSA-N 1 0 387.448 -0.220 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282719 945859972 /nfs/dbraw/zinc/85/99/72/945859972.db2.gz OJNWOJWGTQYQFO-OCCSQVGLSA-N 1 0 387.448 -0.220 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282720 945857199 /nfs/dbraw/zinc/85/71/99/945857199.db2.gz OJNWOJWGTQYQFO-TZMCWYRMSA-N 1 0 387.448 -0.220 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571282751 945860174 /nfs/dbraw/zinc/86/01/74/945860174.db2.gz PWMHSBNYSDGUAQ-CHWSQXEVSA-N 1 0 387.448 -0.762 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571282752 945857057 /nfs/dbraw/zinc/85/70/57/945857057.db2.gz PWMHSBNYSDGUAQ-OLZOCXBDSA-N 1 0 387.448 -0.762 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571282753 945859783 /nfs/dbraw/zinc/85/97/83/945859783.db2.gz PWMHSBNYSDGUAQ-QWHCGFSZSA-N 1 0 387.448 -0.762 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(N2CCO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571282754 945857718 /nfs/dbraw/zinc/85/77/18/945857718.db2.gz PWMHSBNYSDGUAQ-STQMWFEESA-N 1 0 387.448 -0.762 20 0 GBADRO O=C(C[C@H]1CCOC1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571282795 945863681 /nfs/dbraw/zinc/86/36/81/945863681.db2.gz RHHGAWDPBQXFLV-ACJLOTCBSA-N 1 0 387.444 -0.124 20 0 GBADRO O=C(C[C@H]1CCOC1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571282796 945861841 /nfs/dbraw/zinc/86/18/41/945861841.db2.gz RHHGAWDPBQXFLV-FZKQIMNGSA-N 1 0 387.444 -0.124 20 0 GBADRO C[NH+]1CCC(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)CC1 ZINC001571282828 945862687 /nfs/dbraw/zinc/86/26/87/945862687.db2.gz SFNYNHNMYVSYNG-CYBMUJFWSA-N 1 0 387.448 -0.680 20 0 GBADRO C[NH+]1CCC(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)CC1 ZINC001571282829 945863242 /nfs/dbraw/zinc/86/32/42/945863242.db2.gz SFNYNHNMYVSYNG-ZDUSSCGKSA-N 1 0 387.448 -0.680 20 0 GBADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571282881 945866852 /nfs/dbraw/zinc/86/68/52/945866852.db2.gz UEWNTMDVZQAWLT-JSGCOSHPSA-N 1 0 387.448 -0.220 20 0 GBADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571282882 945865848 /nfs/dbraw/zinc/86/58/48/945865848.db2.gz UEWNTMDVZQAWLT-OCCSQVGLSA-N 1 0 387.448 -0.220 20 0 GBADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282928 945868105 /nfs/dbraw/zinc/86/81/05/945868105.db2.gz VXYKXUMRBATWKJ-AAEUAGOBSA-N 1 0 387.448 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282929 945869710 /nfs/dbraw/zinc/86/97/10/945869710.db2.gz VXYKXUMRBATWKJ-DGCLKSJQSA-N 1 0 387.448 -0.340 20 0 GBADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001571282930 945868800 /nfs/dbraw/zinc/86/88/00/945868800.db2.gz VXYKXUMRBATWKJ-WCQYABFASA-N 1 0 387.448 -0.340 20 0 GBADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001571282931 945870812 /nfs/dbraw/zinc/87/08/12/945870812.db2.gz VXYKXUMRBATWKJ-YPMHNXCESA-N 1 0 387.448 -0.340 20 0 GBADRO O=C(C[NH+]1CCCC1)N1CCC(O)(CNc2nccnc2-c2nn[nH]n2)CC1 ZINC001571282936 945869132 /nfs/dbraw/zinc/86/91/32/945869132.db2.gz WEJBADFNTUDMKY-UHFFFAOYSA-N 1 0 387.448 -0.482 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001571282982 945869269 /nfs/dbraw/zinc/86/92/69/945869269.db2.gz XHJZFTXVJWNVFO-CYBMUJFWSA-N 1 0 387.448 -0.300 20 0 GBADRO Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001571282983 945868465 /nfs/dbraw/zinc/86/84/65/945868465.db2.gz XHJZFTXVJWNVFO-ZDUSSCGKSA-N 1 0 387.448 -0.300 20 0 GBADRO C[NH+]1CCC(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)CC1 ZINC001571282993 945870854 /nfs/dbraw/zinc/87/08/54/945870854.db2.gz XRAWVMNWLYKXIO-CYBMUJFWSA-N 1 0 387.448 -0.680 20 0 GBADRO C[NH+]1CCC(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)CC1 ZINC001571282994 945868677 /nfs/dbraw/zinc/86/86/77/945868677.db2.gz XRAWVMNWLYKXIO-ZDUSSCGKSA-N 1 0 387.448 -0.680 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001571283007 945873093 /nfs/dbraw/zinc/87/30/93/945873093.db2.gz XYEQJNGTLDWLSA-GFCCVEGCSA-N 1 0 387.448 -0.220 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2CC[C@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001571283008 945873542 /nfs/dbraw/zinc/87/35/42/945873542.db2.gz XYEQJNGTLDWLSA-LBPRGKRZSA-N 1 0 387.448 -0.220 20 0 GBADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283052 945874053 /nfs/dbraw/zinc/87/40/53/945874053.db2.gz YOMFXPZRBYFBOQ-CHWSQXEVSA-N 1 0 387.448 -0.149 20 0 GBADRO O=C(N[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283053 945873165 /nfs/dbraw/zinc/87/31/65/945873165.db2.gz YOMFXPZRBYFBOQ-OLZOCXBDSA-N 1 0 387.448 -0.149 20 0 GBADRO O=C(N[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283054 945871576 /nfs/dbraw/zinc/87/15/76/945871576.db2.gz YOMFXPZRBYFBOQ-QWHCGFSZSA-N 1 0 387.448 -0.149 20 0 GBADRO O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283055 945871501 /nfs/dbraw/zinc/87/15/01/945871501.db2.gz YOMFXPZRBYFBOQ-STQMWFEESA-N 1 0 387.448 -0.149 20 0 GBADRO CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001571283102 945875085 /nfs/dbraw/zinc/87/50/85/945875085.db2.gz ZFPQUZSOPRAWPG-CYBMUJFWSA-N 1 0 387.448 -0.244 20 0 GBADRO CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001571283103 945876116 /nfs/dbraw/zinc/87/61/16/945876116.db2.gz ZFPQUZSOPRAWPG-ZDUSSCGKSA-N 1 0 387.448 -0.244 20 0 GBADRO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283135 945876819 /nfs/dbraw/zinc/87/68/19/945876819.db2.gz ZXYVBNNEAMERMP-AAEUAGOBSA-N 1 0 387.448 -0.197 20 0 GBADRO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283136 945877801 /nfs/dbraw/zinc/87/78/01/945877801.db2.gz ZXYVBNNEAMERMP-DGCLKSJQSA-N 1 0 387.448 -0.197 20 0 GBADRO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283137 945878046 /nfs/dbraw/zinc/87/80/46/945878046.db2.gz ZXYVBNNEAMERMP-WCQYABFASA-N 1 0 387.448 -0.197 20 0 GBADRO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283138 945877041 /nfs/dbraw/zinc/87/70/41/945877041.db2.gz ZXYVBNNEAMERMP-YPMHNXCESA-N 1 0 387.448 -0.197 20 0 GBADRO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)NC1=O ZINC001571285552 945921400 /nfs/dbraw/zinc/92/14/00/945921400.db2.gz ICGVEMOWZFHEOW-FZMZJTMJSA-N 1 0 388.407 -0.280 20 0 GBADRO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)NC1=O ZINC001571285553 945920690 /nfs/dbraw/zinc/92/06/90/945920690.db2.gz ICGVEMOWZFHEOW-SMDDNHRTSA-N 1 0 388.407 -0.280 20 0 GBADRO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571285745 945925051 /nfs/dbraw/zinc/92/50/51/945925051.db2.gz MTBLKFHCHMEANS-CXAGYDPISA-N 1 0 388.407 -0.232 20 0 GBADRO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571285746 945925282 /nfs/dbraw/zinc/92/52/82/945925282.db2.gz MTBLKFHCHMEANS-DYVFJYSZSA-N 1 0 388.407 -0.232 20 0 GBADRO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571285747 945925877 /nfs/dbraw/zinc/92/58/77/945925877.db2.gz MTBLKFHCHMEANS-GUYCJALGSA-N 1 0 388.407 -0.232 20 0 GBADRO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571285748 945925853 /nfs/dbraw/zinc/92/58/53/945925853.db2.gz MTBLKFHCHMEANS-SUMWQHHRSA-N 1 0 388.407 -0.232 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571286184 945940632 /nfs/dbraw/zinc/94/06/32/945940632.db2.gz AHYJYAZLCYAZHG-GOEBONIOSA-N 1 0 388.428 -0.019 20 0 GBADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571286185 945940277 /nfs/dbraw/zinc/94/02/77/945940277.db2.gz AHYJYAZLCYAZHG-HOCLYGCPSA-N 1 0 388.428 -0.019 20 0 GBADRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286585 945952706 /nfs/dbraw/zinc/95/27/06/945952706.db2.gz LMRGWEJFXXQFGX-HZSPNIEDSA-N 1 0 388.432 -0.755 20 0 GBADRO CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286586 945952523 /nfs/dbraw/zinc/95/25/23/945952523.db2.gz LMRGWEJFXXQFGX-MGPQQGTHSA-N 1 0 388.432 -0.755 20 0 GBADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571286620 945953360 /nfs/dbraw/zinc/95/33/60/945953360.db2.gz MOTXQWUPOORSRF-AAEUAGOBSA-N 1 0 388.432 -0.754 20 0 GBADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571286621 945952225 /nfs/dbraw/zinc/95/22/25/945952225.db2.gz MOTXQWUPOORSRF-DGCLKSJQSA-N 1 0 388.432 -0.754 20 0 GBADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571286622 945951888 /nfs/dbraw/zinc/95/18/88/945951888.db2.gz MOTXQWUPOORSRF-WCQYABFASA-N 1 0 388.432 -0.754 20 0 GBADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571286623 945953467 /nfs/dbraw/zinc/95/34/67/945953467.db2.gz MOTXQWUPOORSRF-YPMHNXCESA-N 1 0 388.432 -0.754 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571286647 945956187 /nfs/dbraw/zinc/95/61/87/945956187.db2.gz NOIFNLDMTPMLOU-BIGNPOOSSA-N 1 0 388.407 -0.376 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571286648 945955941 /nfs/dbraw/zinc/95/59/41/945955941.db2.gz NOIFNLDMTPMLOU-OWYVNGRQSA-N 1 0 388.407 -0.376 20 0 GBADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@H]1CNC(=O)N1 ZINC001571286658 945956062 /nfs/dbraw/zinc/95/60/62/945956062.db2.gz NTGNTRWMQIIXCK-GAJTVXKRSA-N 1 0 388.407 -0.328 20 0 GBADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1CNC(=O)N1 ZINC001571286659 945956328 /nfs/dbraw/zinc/95/63/28/945956328.db2.gz NTGNTRWMQIIXCK-WFBYXXMGSA-N 1 0 388.407 -0.328 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571286674 945954742 /nfs/dbraw/zinc/95/47/42/945954742.db2.gz OMLVOYSAAKMUOW-HZMBPMFUSA-N 1 0 388.407 -0.375 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571286675 945954780 /nfs/dbraw/zinc/95/47/80/945954780.db2.gz OMLVOYSAAKMUOW-IINYFYTJSA-N 1 0 388.407 -0.375 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571286676 945955132 /nfs/dbraw/zinc/95/51/32/945955132.db2.gz OMLVOYSAAKMUOW-QMTHXVAHSA-N 1 0 388.407 -0.375 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571286677 945955479 /nfs/dbraw/zinc/95/54/79/945955479.db2.gz OMLVOYSAAKMUOW-YGRLFVJLSA-N 1 0 388.407 -0.375 20 0 GBADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[C@@H]1CNC(=O)N1 ZINC001571286688 945955026 /nfs/dbraw/zinc/95/50/26/945955026.db2.gz OVNFHNQPTKTGOO-AWEZNQCLSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[C@H]1CNC(=O)N1 ZINC001571286689 945956163 /nfs/dbraw/zinc/95/61/63/945956163.db2.gz OVNFHNQPTKTGOO-CQSZACIVSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286722 945958355 /nfs/dbraw/zinc/95/83/55/945958355.db2.gz PTHHDIZUQFNBCA-BXUZGUMPSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286723 945958102 /nfs/dbraw/zinc/95/81/02/945958102.db2.gz PTHHDIZUQFNBCA-FZMZJTMJSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286724 945958376 /nfs/dbraw/zinc/95/83/76/945958376.db2.gz PTHHDIZUQFNBCA-RISCZKNCSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286725 945958174 /nfs/dbraw/zinc/95/81/74/945958174.db2.gz PTHHDIZUQFNBCA-SMDDNHRTSA-N 1 0 388.407 -0.232 20 0 GBADRO CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571286835 945960541 /nfs/dbraw/zinc/96/05/41/945960541.db2.gz SSLZTGHGRWKQPF-LERXQTSPSA-N 1 0 388.432 -0.898 20 0 GBADRO CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571286836 945960197 /nfs/dbraw/zinc/96/01/97/945960197.db2.gz SSLZTGHGRWKQPF-ZLKJLUDKSA-N 1 0 388.432 -0.898 20 0 GBADRO NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CCO2 ZINC001571286875 945960716 /nfs/dbraw/zinc/96/07/16/945960716.db2.gz UICJYLCMRAMLHE-UHFFFAOYSA-N 1 0 388.432 -0.577 20 0 GBADRO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571286916 945962662 /nfs/dbraw/zinc/96/26/62/945962662.db2.gz VPFZSIBECDDQHZ-BXKDBHETSA-N 1 0 388.413 -0.288 20 0 GBADRO O=C(C[NH2+][C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCOCC1 ZINC001571286929 945963058 /nfs/dbraw/zinc/96/30/58/945963058.db2.gz VWXYRZQPNWGQDM-ZDUSSCGKSA-N 1 0 388.432 -0.752 20 0 GBADRO O=C([C@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287077 945968290 /nfs/dbraw/zinc/96/82/90/945968290.db2.gz ZXWVFMSYFLUMGV-GXTWGEPZSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287078 945967816 /nfs/dbraw/zinc/96/78/16/945967816.db2.gz ZXWVFMSYFLUMGV-JSGCOSHPSA-N 1 0 388.407 -0.232 20 0 GBADRO O=C(C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC001571288065 945983355 /nfs/dbraw/zinc/98/33/55/945983355.db2.gz LUOZGZWADXXRFU-GFCCVEGCSA-N 1 0 388.432 -0.895 20 0 GBADRO O=C(C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC001571288070 945982378 /nfs/dbraw/zinc/98/23/78/945982378.db2.gz LUOZGZWADXXRFU-LBPRGKRZSA-N 1 0 388.432 -0.895 20 0 GBADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001571288780 945993208 /nfs/dbraw/zinc/99/32/08/945993208.db2.gz UAALPHMQIHOQDQ-CHWSQXEVSA-N 1 0 388.432 -0.706 20 0 GBADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001571288881 945993008 /nfs/dbraw/zinc/99/30/08/945993008.db2.gz UAALPHMQIHOQDQ-OLZOCXBDSA-N 1 0 388.432 -0.706 20 0 GBADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001571288882 945994138 /nfs/dbraw/zinc/99/41/38/945994138.db2.gz UAALPHMQIHOQDQ-QWHCGFSZSA-N 1 0 388.432 -0.706 20 0 GBADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001571288883 945994047 /nfs/dbraw/zinc/99/40/47/945994047.db2.gz UAALPHMQIHOQDQ-STQMWFEESA-N 1 0 388.432 -0.706 20 0 GBADRO O=C(C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCOCC1 ZINC001571288957 945996186 /nfs/dbraw/zinc/99/61/86/945996186.db2.gz VHFBIAUQWPATFW-UHFFFAOYSA-N 1 0 388.432 -0.848 20 0 GBADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001571289632 946013523 /nfs/dbraw/zinc/01/35/23/946013523.db2.gz JCOOQOPVXFLZCT-GFCCVEGCSA-N 1 0 388.461 -0.059 20 0 GBADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC001571289633 946013021 /nfs/dbraw/zinc/01/30/21/946013021.db2.gz JCOOQOPVXFLZCT-LBPRGKRZSA-N 1 0 388.461 -0.059 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289724 946014740 /nfs/dbraw/zinc/01/47/40/946014740.db2.gz LHWKITQFAYPZAT-GHMZBOCLSA-N 1 0 388.461 -0.201 20 0 GBADRO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289725 946016306 /nfs/dbraw/zinc/01/63/06/946016306.db2.gz LHWKITQFAYPZAT-MNOVXSKESA-N 1 0 388.461 -0.201 20 0 GBADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289726 946016326 /nfs/dbraw/zinc/01/63/26/946016326.db2.gz LHWKITQFAYPZAT-QWRGUYRKSA-N 1 0 388.461 -0.201 20 0 GBADRO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289727 946015772 /nfs/dbraw/zinc/01/57/72/946015772.db2.gz LHWKITQFAYPZAT-WDEREUQCSA-N 1 0 388.461 -0.201 20 0 GBADRO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n(C)c1=O ZINC001571290237 946035114 /nfs/dbraw/zinc/03/51/14/946035114.db2.gz YHZZWYBWCYWNCD-SNVBAGLBSA-N 1 0 388.457 -0.030 20 0 GBADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571291757 946080760 /nfs/dbraw/zinc/08/07/60/946080760.db2.gz ODFFVRNJPZPWJL-BPLDGKMQSA-N 1 0 389.416 -0.695 20 0 GBADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571291761 946082187 /nfs/dbraw/zinc/08/21/87/946082187.db2.gz ODFFVRNJPZPWJL-YUELXQCFSA-N 1 0 389.416 -0.695 20 0 GBADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C1CS(=O)(=O)C1 ZINC001571293159 946099636 /nfs/dbraw/zinc/09/96/36/946099636.db2.gz APGJUEVJIMKUNK-UOJUARBOSA-N 1 0 389.441 -0.895 20 0 GBADRO O=C(CC1CS(=O)(=O)C1)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571293756 946115251 /nfs/dbraw/zinc/11/52/51/946115251.db2.gz QRLOOYCLNPGXCT-JYAVWHMHSA-N 1 0 389.441 -0.753 20 0 GBADRO O=C(C[NH+]1CCCC1)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001571293799 946115782 /nfs/dbraw/zinc/11/57/82/946115782.db2.gz RZCYYIDANVUNJA-CVEARBPZSA-N 1 0 389.435 -0.237 20 0 GBADRO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1=O ZINC001571293802 946115479 /nfs/dbraw/zinc/11/54/79/946115479.db2.gz SBJVHGPEEMHVPJ-AOOOYVTPSA-N 1 0 389.445 -0.740 20 0 GBADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294014 946122463 /nfs/dbraw/zinc/12/24/63/946122463.db2.gz YJDXMPMRGOPKRQ-BZUAXINKSA-N 1 0 389.435 -0.239 20 0 GBADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571294015 946123045 /nfs/dbraw/zinc/12/30/45/946123045.db2.gz YJDXMPMRGOPKRQ-OWCLPIDISA-N 1 0 389.435 -0.239 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)[NH+](C)C ZINC001571294625 946140638 /nfs/dbraw/zinc/14/06/38/946140638.db2.gz JUXPBVGVSDRUEH-DOMZBBRYSA-N 1 0 389.464 -0.118 20 0 GBADRO CC(C)[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)[NH+](C)C ZINC001571294628 946140985 /nfs/dbraw/zinc/14/09/85/946140985.db2.gz JUXPBVGVSDRUEH-IUODEOHRSA-N 1 0 389.464 -0.118 20 0 GBADRO CC(C)[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)[NH+](C)C ZINC001571294629 946140721 /nfs/dbraw/zinc/14/07/21/946140721.db2.gz JUXPBVGVSDRUEH-SWLSCSKDSA-N 1 0 389.464 -0.118 20 0 GBADRO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)[NH+](C)C ZINC001571294631 946141284 /nfs/dbraw/zinc/14/12/84/946141284.db2.gz JUXPBVGVSDRUEH-WFASDCNBSA-N 1 0 389.464 -0.118 20 0 GBADRO CC[C@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+](C)C ZINC001571295427 946164510 /nfs/dbraw/zinc/16/45/10/946164510.db2.gz SSIMXYZBDDHILH-CXAGYDPISA-N 1 0 389.464 -0.238 20 0 GBADRO CC[C@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+](C)C ZINC001571295428 946164746 /nfs/dbraw/zinc/16/47/46/946164746.db2.gz SSIMXYZBDDHILH-DYVFJYSZSA-N 1 0 389.464 -0.238 20 0 GBADRO CC[C@@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+](C)C ZINC001571295429 946164325 /nfs/dbraw/zinc/16/43/25/946164325.db2.gz SSIMXYZBDDHILH-GUYCJALGSA-N 1 0 389.464 -0.238 20 0 GBADRO CC[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+](C)C ZINC001571295430 946163454 /nfs/dbraw/zinc/16/34/54/946163454.db2.gz SSIMXYZBDDHILH-SUMWQHHRSA-N 1 0 389.464 -0.238 20 0 GBADRO CC[C@@H](C(=O)N1CCC(O)(CNc2cncc(-c3nn[nH]n3)n2)CC1)[NH+](C)C ZINC001571295600 946169403 /nfs/dbraw/zinc/16/94/03/946169403.db2.gz YXLCSGHVQPGJTK-ZDUSSCGKSA-N 1 0 389.464 -0.238 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001571295686 946171348 /nfs/dbraw/zinc/17/13/48/946171348.db2.gz CFIMPKUJGQZKTQ-IMJCEVDSSA-N 1 0 390.423 -0.593 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)CC[N@@H+]1C ZINC001571295687 946171015 /nfs/dbraw/zinc/17/10/15/946171015.db2.gz CFIMPKUJGQZKTQ-WGEPELCKSA-N 1 0 390.423 -0.593 20 0 GBADRO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295787 946174014 /nfs/dbraw/zinc/17/40/14/946174014.db2.gz GBEUDKIIKMHHBE-HZSPNIEDSA-N 1 0 390.448 -0.918 20 0 GBADRO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295788 946174323 /nfs/dbraw/zinc/17/43/23/946174323.db2.gz GBEUDKIIKMHHBE-RDBSUJKOSA-N 1 0 390.448 -0.918 20 0 GBADRO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295813 946173968 /nfs/dbraw/zinc/17/39/68/946173968.db2.gz GMUZCAQVUQRZQT-HZSPNIEDSA-N 1 0 390.448 -0.918 20 0 GBADRO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)[NH+](C)C ZINC001571295814 946174271 /nfs/dbraw/zinc/17/42/71/946174271.db2.gz GMUZCAQVUQRZQT-RDBSUJKOSA-N 1 0 390.448 -0.918 20 0 GBADRO CO[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001571296474 946196483 /nfs/dbraw/zinc/19/64/83/946196483.db2.gz YTDDMVILPBFPFB-ZIAGYGMSSA-N 1 0 390.423 -0.184 20 0 GBADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571297818 946196757 /nfs/dbraw/zinc/19/67/57/946196757.db2.gz AKKWFALDWSUZHT-ABAIWWIYSA-N 1 0 390.469 -0.152 20 0 GBADRO C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571297819 946195936 /nfs/dbraw/zinc/19/59/36/946195936.db2.gz AKKWFALDWSUZHT-IAQYHMDHSA-N 1 0 390.469 -0.152 20 0 GBADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571297820 946196435 /nfs/dbraw/zinc/19/64/35/946196435.db2.gz AKKWFALDWSUZHT-NHYWBVRUSA-N 1 0 390.469 -0.152 20 0 GBADRO C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571297821 946197650 /nfs/dbraw/zinc/19/76/50/946197650.db2.gz AKKWFALDWSUZHT-XHDPSFHLSA-N 1 0 390.469 -0.152 20 0 GBADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001571297824 946199224 /nfs/dbraw/zinc/19/92/24/946199224.db2.gz AKXMPPDLUVFLDR-CMPLNLGQSA-N 1 0 390.473 -0.110 20 0 GBADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001571297825 946199108 /nfs/dbraw/zinc/19/91/08/946199108.db2.gz AKXMPPDLUVFLDR-JQWIXIFHSA-N 1 0 390.473 -0.110 20 0 GBADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001571297826 946198288 /nfs/dbraw/zinc/19/82/88/946198288.db2.gz AKXMPPDLUVFLDR-PWSUYJOCSA-N 1 0 390.473 -0.110 20 0 GBADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001571297827 946199731 /nfs/dbraw/zinc/19/97/31/946199731.db2.gz AKXMPPDLUVFLDR-ZYHUDNBSSA-N 1 0 390.473 -0.110 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571297929 946202035 /nfs/dbraw/zinc/20/20/35/946202035.db2.gz DOYFPAWLOZEVDL-KBPBESRZSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571297930 946200810 /nfs/dbraw/zinc/20/08/10/946200810.db2.gz DOYFPAWLOZEVDL-KGLIPLIRSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CNC(=O)N1 ZINC001571297955 946201108 /nfs/dbraw/zinc/20/11/08/946201108.db2.gz FKZKOJWCWVGCLR-HOSYDEDBSA-N 1 0 390.473 -0.016 20 0 GBADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CNC(=O)N1 ZINC001571297956 946201197 /nfs/dbraw/zinc/20/11/97/946201197.db2.gz FKZKOJWCWVGCLR-UMNHJUIQSA-N 1 0 390.473 -0.016 20 0 GBADRO O=C(C1CS(=O)(=O)C1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571297969 946202009 /nfs/dbraw/zinc/20/20/09/946202009.db2.gz FUQDLZWRMUKFGU-GFCCVEGCSA-N 1 0 390.469 -0.151 20 0 GBADRO O=C(C1CS(=O)(=O)C1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571297970 946202460 /nfs/dbraw/zinc/20/24/60/946202460.db2.gz FUQDLZWRMUKFGU-LBPRGKRZSA-N 1 0 390.469 -0.151 20 0 GBADRO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571298030 946203819 /nfs/dbraw/zinc/20/38/19/946203819.db2.gz HUOOVNWQERAOAC-HNNXBMFYSA-N 1 0 390.469 -0.008 20 0 GBADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571298031 946203216 /nfs/dbraw/zinc/20/32/16/946203216.db2.gz HXMNPWCMJZLBSH-ABAIWWIYSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571298032 946203704 /nfs/dbraw/zinc/20/37/04/946203704.db2.gz HXMNPWCMJZLBSH-IAQYHMDHSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571298033 946204511 /nfs/dbraw/zinc/20/45/11/946204511.db2.gz HXMNPWCMJZLBSH-NHYWBVRUSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571298034 946202997 /nfs/dbraw/zinc/20/29/97/946202997.db2.gz HXMNPWCMJZLBSH-XHDPSFHLSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001571298508 946219714 /nfs/dbraw/zinc/21/97/14/946219714.db2.gz PPMHZNVHUXXEHJ-JLLWLGSASA-N 1 0 390.473 -0.112 20 0 GBADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001571298509 946219417 /nfs/dbraw/zinc/21/94/17/946219417.db2.gz PPMHZNVHUXXEHJ-YUSALJHKSA-N 1 0 390.473 -0.112 20 0 GBADRO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298908 946233810 /nfs/dbraw/zinc/23/38/10/946233810.db2.gz RRFGFUNUPGQBRM-CKYFFXLPSA-N 1 0 390.473 -0.206 20 0 GBADRO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298911 946233333 /nfs/dbraw/zinc/23/33/33/946233333.db2.gz RRFGFUNUPGQBRM-FOGDFJRCSA-N 1 0 390.473 -0.206 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299287 946245089 /nfs/dbraw/zinc/24/50/89/946245089.db2.gz VNKKQENQROKQKA-CABCVRRESA-N 1 0 390.469 -0.008 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299288 946245818 /nfs/dbraw/zinc/24/58/18/946245818.db2.gz VNKKQENQROKQKA-GJZGRUSLSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299289 946246954 /nfs/dbraw/zinc/24/69/54/946246954.db2.gz VNKKQENQROKQKA-HUUCEWRRSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299290 946246586 /nfs/dbraw/zinc/24/65/86/946246586.db2.gz VNKKQENQROKQKA-LSDHHAIUSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299295 946245140 /nfs/dbraw/zinc/24/51/40/946245140.db2.gz VVLWUCIFOKKKNF-LLVKDONJSA-N 1 0 390.473 -0.950 20 0 GBADRO O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299296 946245494 /nfs/dbraw/zinc/24/54/94/946245494.db2.gz VVLWUCIFOKKKNF-NSHDSACASA-N 1 0 390.473 -0.950 20 0 GBADRO O=C(C1CS(=O)(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571299297 946245782 /nfs/dbraw/zinc/24/57/82/946245782.db2.gz VWCUTUBWCUTEQR-UHFFFAOYSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299571 946252806 /nfs/dbraw/zinc/25/28/06/946252806.db2.gz XPNQSARIMGATCN-GGAZOKNXSA-N 1 0 390.469 -0.128 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299572 946254666 /nfs/dbraw/zinc/25/46/66/946254666.db2.gz XPNQSARIMGATCN-JYKNGBAOSA-N 1 0 390.469 -0.128 20 0 GBADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299573 946254917 /nfs/dbraw/zinc/25/49/17/946254917.db2.gz XPNQSARIMGATCN-OKWIKPQFSA-N 1 0 390.469 -0.128 20 0 GBADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299574 946253762 /nfs/dbraw/zinc/25/37/62/946253762.db2.gz XPNQSARIMGATCN-WHRXGGIHSA-N 1 0 390.469 -0.128 20 0 GBADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299583 946255515 /nfs/dbraw/zinc/25/55/15/946255515.db2.gz XWWABZHLKMWTFS-HNNXBMFYSA-N 1 0 390.469 -0.008 20 0 GBADRO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571299584 946257036 /nfs/dbraw/zinc/25/70/36/946257036.db2.gz XWWABZHLKMWTFS-OAHLLOKOSA-N 1 0 390.469 -0.008 20 0 GBADRO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1)[NH+](C)C ZINC001571299772 946261738 /nfs/dbraw/zinc/26/17/38/946261738.db2.gz UJQDCLQBBAAWBF-HZSPNIEDSA-N 1 0 390.448 -0.509 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(-c2nn[nH]n2)[nH]c1C ZINC001571299836 946263526 /nfs/dbraw/zinc/26/35/26/946263526.db2.gz WIOZWXDQJYZAAD-UHFFFAOYSA-N 1 0 390.448 -0.634 20 0 GBADRO O=C([C@@H]1CCC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305757 946376711 /nfs/dbraw/zinc/37/67/11/946376711.db2.gz BUSCQGJXHPNPFJ-JQWIXIFHSA-N 1 0 391.457 -0.476 20 0 GBADRO O=C([C@@H]1CCC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305758 946374589 /nfs/dbraw/zinc/37/45/89/946374589.db2.gz BUSCQGJXHPNPFJ-PWSUYJOCSA-N 1 0 391.457 -0.476 20 0 GBADRO O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571306254 946393469 /nfs/dbraw/zinc/39/34/69/946393469.db2.gz IVRIPRKPHDMLRC-NWDGAFQWSA-N 1 0 391.457 -0.479 20 0 GBADRO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571306255 946394109 /nfs/dbraw/zinc/39/41/09/946394109.db2.gz IVRIPRKPHDMLRC-VXGBXAGGSA-N 1 0 391.457 -0.479 20 0 GBADRO O=C(NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCS1(=O)=O ZINC001571306498 946402573 /nfs/dbraw/zinc/40/25/73/946402573.db2.gz MCUDDSXZRHTLKM-UHIISALHSA-N 1 0 391.457 -0.433 20 0 GBADRO O=C(NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCS1(=O)=O ZINC001571306499 946401948 /nfs/dbraw/zinc/40/19/48/946401948.db2.gz MCUDDSXZRHTLKM-WDMOLILDSA-N 1 0 391.457 -0.433 20 0 GBADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001571306600 946404277 /nfs/dbraw/zinc/40/42/77/946404277.db2.gz MDHNIDSIBDPDPO-CXQJBGSLSA-N 1 0 391.457 -0.575 20 0 GBADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001571306602 946405709 /nfs/dbraw/zinc/40/57/09/946405709.db2.gz MDHNIDSIBDPDPO-MOENNCHZSA-N 1 0 391.457 -0.575 20 0 GBADRO Cc1cc(N2C[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571306683 946408066 /nfs/dbraw/zinc/40/80/66/946408066.db2.gz NECFKJUWFBEODO-TXEJJXNPSA-N 1 0 391.457 -0.491 20 0 GBADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)S(C)(=O)=O)c(-c2nn[nH]n2)c[nH+]1 ZINC001571306742 946409953 /nfs/dbraw/zinc/40/99/53/946409953.db2.gz OGUULZDGSICUHC-SRVKXCTJSA-N 1 0 391.457 -0.207 20 0 GBADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)S(C)(=O)=O)c(-c2nn[nH]n2)c[nH+]1 ZINC001571306743 946409821 /nfs/dbraw/zinc/40/98/21/946409821.db2.gz OGUULZDGSICUHC-WOPDTQHZSA-N 1 0 391.457 -0.207 20 0 GBADRO Cc1cc(N[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571306754 946409908 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PWCKFBWWBDFABG-RISCZKNCSA-N 1 0 391.457 -0.336 20 0 GBADRO O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571306782 946409885 /nfs/dbraw/zinc/40/98/85/946409885.db2.gz PWCKFBWWBDFABG-SMDDNHRTSA-N 1 0 391.457 -0.336 20 0 GBADRO O=C(CC1CS(=O)(=O)C1)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571306798 946412290 /nfs/dbraw/zinc/41/22/90/946412290.db2.gz QJCKLFGPTPZZSC-UHFFFAOYSA-N 1 0 391.457 -0.575 20 0 GBADRO O=C(C[C@H]1CCCS1(=O)=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571307049 946415645 /nfs/dbraw/zinc/41/56/45/946415645.db2.gz VAIGSTNIIXMURK-GRYCIOLGSA-N 1 0 391.457 -0.290 20 0 GBADRO O=C(C[C@@H]1CCCS1(=O)=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571307050 946416582 /nfs/dbraw/zinc/41/65/82/946416582.db2.gz VAIGSTNIIXMURK-TUAOUCFPSA-N 1 0 391.457 -0.290 20 0 GBADRO O=C(NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CS(=O)(=O)C1 ZINC001571307122 946417671 /nfs/dbraw/zinc/41/76/71/946417671.db2.gz XORZKASYKYBFFC-LLVKDONJSA-N 1 0 391.457 -0.361 20 0 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CC(=O)N1CC(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573421137 948138718 /nfs/dbraw/zinc/13/87/18/948138718.db2.gz CSMFVQAPPRLTFH-UHFFFAOYSA-N 1 0 384.444 -0.223 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573421139 948138378 /nfs/dbraw/zinc/13/83/78/948138378.db2.gz CSMFVQAPPRLTFH-XBXGTLAGSA-N 1 0 384.444 -0.223 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573421500 948138693 /nfs/dbraw/zinc/13/86/93/948138693.db2.gz GQQBDSZZRLOOJR-CYBMUJFWSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573421505 948138552 /nfs/dbraw/zinc/13/85/52/948138552.db2.gz GQQBDSZZRLOOJR-ZDUSSCGKSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573421603 948139541 /nfs/dbraw/zinc/13/95/41/948139541.db2.gz HEAMDVLIMFZKBE-CYBMUJFWSA-N 1 0 384.444 -0.009 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573421606 948139562 /nfs/dbraw/zinc/13/95/62/948139562.db2.gz HEAMDVLIMFZKBE-ZDUSSCGKSA-N 1 0 384.444 -0.009 20 0 GBADRO CC(=O)N1CC(C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573422334 948142531 /nfs/dbraw/zinc/14/25/31/948142531.db2.gz JVXIHAKPKNPVLR-UHFFFAOYSA-N 1 0 384.444 -0.140 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573422358 948141987 /nfs/dbraw/zinc/14/19/87/948141987.db2.gz KKCCULRNIUKJQH-GXTWGEPZSA-N 1 0 384.444 -0.141 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573423058 948144046 /nfs/dbraw/zinc/14/40/46/948144046.db2.gz MJWZWWSVZDKPFW-CYBMUJFWSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573423059 948144242 /nfs/dbraw/zinc/14/42/42/948144242.db2.gz MJWZWWSVZDKPFW-ZDUSSCGKSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573423083 948143622 /nfs/dbraw/zinc/14/36/22/948143622.db2.gz NEJQHZQSDAJZSH-AWEZNQCLSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573423084 948144058 /nfs/dbraw/zinc/14/40/58/948144058.db2.gz NEJQHZQSDAJZSH-CQSZACIVSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001573423094 948143888 /nfs/dbraw/zinc/14/38/88/948143888.db2.gz NSYNFDGNSMWJGA-DGCLKSJQSA-N 1 0 384.444 -0.072 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573423836 948146278 /nfs/dbraw/zinc/14/62/78/948146278.db2.gz PYCLTEPGHFJDJW-CYBMUJFWSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573423839 948145054 /nfs/dbraw/zinc/14/50/54/948145054.db2.gz PYCLTEPGHFJDJW-ZDUSSCGKSA-N 1 0 391.407 -0.949 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001573423966 948146015 /nfs/dbraw/zinc/14/60/15/948146015.db2.gz RYLSFARQTDZXQQ-INIZCTEOSA-N 1 0 384.444 -0.223 20 0 GBADRO CC(=O)N1CC(C(=O)NC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001573423969 948146304 /nfs/dbraw/zinc/14/63/04/948146304.db2.gz RYLSFARQTDZXQQ-MRXNPFEDSA-N 1 0 384.444 -0.223 20 0 GBADRO CC(=O)N1CC(C(=O)NCC2(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001573424270 948149183 /nfs/dbraw/zinc/14/91/83/948149183.db2.gz WQNYXZHGJBPVMP-UHFFFAOYSA-N 1 0 384.444 -0.079 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573425751 948150429 /nfs/dbraw/zinc/15/04/29/948150429.db2.gz BJZPQXVOXDGDAP-MQMHXKEQSA-N 1 0 384.444 -0.223 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001573425921 948153261 /nfs/dbraw/zinc/15/32/61/948153261.db2.gz FFYRIDYRVIVGTM-CVEARBPZSA-N 1 0 385.428 -0.994 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001573425922 948152461 /nfs/dbraw/zinc/15/24/61/948152461.db2.gz FFYRIDYRVIVGTM-HZPDHXFCSA-N 1 0 385.428 -0.994 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001573426046 948154205 /nfs/dbraw/zinc/15/42/05/948154205.db2.gz HEEJTERRLBXADU-CVEARBPZSA-N 1 0 385.428 -0.994 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001573426048 948155120 /nfs/dbraw/zinc/15/51/20/948155120.db2.gz HEEJTERRLBXADU-HZPDHXFCSA-N 1 0 385.428 -0.994 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001573426446 948156407 /nfs/dbraw/zinc/15/64/07/948156407.db2.gz LLODQVRWAYQQLU-FOLVSLTJSA-N 1 0 382.428 -0.401 20 0 GBADRO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001573426646 948158889 /nfs/dbraw/zinc/15/88/89/948158889.db2.gz NLCGSNGBRLMDDA-FVQHAEBGSA-N 1 0 381.440 -0.109 20 0 GBADRO CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573432888 948195254 /nfs/dbraw/zinc/19/52/54/948195254.db2.gz ICGVGBLCMRBEKS-ACJLOTCBSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573432889 948195377 /nfs/dbraw/zinc/19/53/77/948195377.db2.gz ICGVGBLCMRBEKS-FZKQIMNGSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573432890 948195560 /nfs/dbraw/zinc/19/55/60/948195560.db2.gz ICGVGBLCMRBEKS-SCLBCKFNSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573432891 948195455 /nfs/dbraw/zinc/19/54/55/948195455.db2.gz ICGVGBLCMRBEKS-UGSOOPFHSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573439055 948242280 /nfs/dbraw/zinc/24/22/80/948242280.db2.gz IIMBYZURJJRSSN-KBPBESRZSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573439058 948241462 /nfs/dbraw/zinc/24/14/62/948241462.db2.gz IIMBYZURJJRSSN-KGLIPLIRSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573439061 948241721 /nfs/dbraw/zinc/24/17/21/948241721.db2.gz IIMBYZURJJRSSN-UONOGXRCSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573439064 948241574 /nfs/dbraw/zinc/24/15/74/948241574.db2.gz IIMBYZURJJRSSN-ZIAGYGMSSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446254 948326873 /nfs/dbraw/zinc/32/68/73/948326873.db2.gz BYRYKSTXNYUWAJ-HZPDHXFCSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446255 948327833 /nfs/dbraw/zinc/32/78/33/948327833.db2.gz BYRYKSTXNYUWAJ-JKSUJKDBSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446620 948333780 /nfs/dbraw/zinc/33/37/80/948333780.db2.gz KPVPXTWKQRTEAZ-HZPDHXFCSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446621 948333207 /nfs/dbraw/zinc/33/32/07/948333207.db2.gz KPVPXTWKQRTEAZ-JKSUJKDBSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573446712 948335647 /nfs/dbraw/zinc/33/56/47/948335647.db2.gz NTVNHRHHZHRRJQ-GDBMZVCRSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573446713 948336304 /nfs/dbraw/zinc/33/63/04/948336304.db2.gz NTVNHRHHZHRRJQ-GOEBONIOSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573446714 948334970 /nfs/dbraw/zinc/33/49/70/948334970.db2.gz NURVNPTWZJKVRS-HZPDHXFCSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573446715 948336780 /nfs/dbraw/zinc/33/67/80/948336780.db2.gz NURVNPTWZJKVRS-JKSUJKDBSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573446936 948338938 /nfs/dbraw/zinc/33/89/38/948338938.db2.gz SHMCHPXVYHTNKX-CZUORRHYSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573446937 948339157 /nfs/dbraw/zinc/33/91/57/948339157.db2.gz SHMCHPXVYHTNKX-XJKSGUPXSA-N 1 0 384.444 -0.045 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573447087 948339805 /nfs/dbraw/zinc/33/98/05/948339805.db2.gz UUAYXFSDXQDNPJ-HFBAOOFYSA-N 1 0 384.444 -0.047 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573447089 948341302 /nfs/dbraw/zinc/34/13/02/948341302.db2.gz UWMRSBOEWPFBES-HZPDHXFCSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573447090 948341254 /nfs/dbraw/zinc/34/12/54/948341254.db2.gz UWMRSBOEWPFBES-JKSUJKDBSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573449055 945814141 /nfs/dbraw/zinc/81/41/41/945814141.db2.gz QCLNGFWKCGGBBN-CLWVCHIJSA-N 1 0 382.428 -0.177 20 0 GBADRO CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001573450900 945829175 /nfs/dbraw/zinc/82/91/75/945829175.db2.gz OBIKVMKEJJVTFY-KGLIPLIRSA-N 1 0 377.430 -0.596 20 0 GBADRO CC(=O)N[C@](C)(C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453187 945856785 /nfs/dbraw/zinc/85/67/85/945856785.db2.gz JEXNXLYDLFDAGI-PXAZEXFGSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@](C)(C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453188 945857801 /nfs/dbraw/zinc/85/78/01/945857801.db2.gz JEXNXLYDLFDAGI-SJCJKPOMSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@](C)(C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453190 945856743 /nfs/dbraw/zinc/85/67/43/945856743.db2.gz JEXNXLYDLFDAGI-SJKOYZFVSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@](C)(C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453191 945855836 /nfs/dbraw/zinc/85/58/36/945855836.db2.gz JEXNXLYDLFDAGI-YVEFUNNKSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@](C)(C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453621 945862161 /nfs/dbraw/zinc/86/21/61/945862161.db2.gz NDWJVOSYHZGEEE-PXAZEXFGSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@](C)(C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453622 945862956 /nfs/dbraw/zinc/86/29/56/945862956.db2.gz NDWJVOSYHZGEEE-SJCJKPOMSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@](C)(C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453623 945861932 /nfs/dbraw/zinc/86/19/32/945861932.db2.gz NDWJVOSYHZGEEE-SJKOYZFVSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@](C)(C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573453624 945861548 /nfs/dbraw/zinc/86/15/48/945861548.db2.gz NDWJVOSYHZGEEE-YVEFUNNKSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573455598 945885566 /nfs/dbraw/zinc/88/55/66/945885566.db2.gz FOELSUVELWMOQZ-AWEZNQCLSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573455601 945885652 /nfs/dbraw/zinc/88/56/52/945885652.db2.gz FOELSUVELWMOQZ-CQSZACIVSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573455674 945886048 /nfs/dbraw/zinc/88/60/48/945886048.db2.gz GIEVMTKTJQKWGI-HNNXBMFYSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573455675 945885239 /nfs/dbraw/zinc/88/52/39/945885239.db2.gz GIEVMTKTJQKWGI-OAHLLOKOSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573455838 945885408 /nfs/dbraw/zinc/88/54/08/945885408.db2.gz HAYNOGJABXQMCH-GFCCVEGCSA-N 1 0 390.448 -0.862 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573455839 945887370 /nfs/dbraw/zinc/88/73/70/945887370.db2.gz HAYNOGJABXQMCH-LBPRGKRZSA-N 1 0 390.448 -0.862 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573457043 945902208 /nfs/dbraw/zinc/90/22/08/945902208.db2.gz SQUPYBNRUPIXBJ-HNNXBMFYSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573457044 945903489 /nfs/dbraw/zinc/90/34/89/945903489.db2.gz SQUPYBNRUPIXBJ-OAHLLOKOSA-N 1 0 389.460 -0.310 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573457560 945905346 /nfs/dbraw/zinc/90/53/46/945905346.db2.gz XIFVEAZBZKSEES-UHFFFAOYSA-N 1 0 390.448 -0.860 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573461972 945927282 /nfs/dbraw/zinc/92/72/82/945927282.db2.gz UXJUEOGEIHJOTR-GFCCVEGCSA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573461973 945927909 /nfs/dbraw/zinc/92/79/09/945927909.db2.gz UXJUEOGEIHJOTR-LBPRGKRZSA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573462529 945941873 /nfs/dbraw/zinc/94/18/73/945941873.db2.gz KWZBJNSEMRYUNF-DEZZGGKRSA-N 1 0 384.444 -0.025 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573462658 945944704 /nfs/dbraw/zinc/94/47/04/945944704.db2.gz LTPYIBQIVSHSDJ-JTQLQIEISA-N 1 0 381.462 -0.590 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573462659 945944934 /nfs/dbraw/zinc/94/49/34/945944934.db2.gz LTPYIBQIVSHSDJ-SNVBAGLBSA-N 1 0 381.462 -0.590 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573462959 945947363 /nfs/dbraw/zinc/94/73/63/945947363.db2.gz PVSIVMTWHXPSFV-AWEZNQCLSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573462960 945946299 /nfs/dbraw/zinc/94/62/99/945946299.db2.gz PVSIVMTWHXPSFV-CQSZACIVSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573463202 945951908 /nfs/dbraw/zinc/95/19/08/945951908.db2.gz TUUUBAFANGBDQP-AWEZNQCLSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573463203 945951971 /nfs/dbraw/zinc/95/19/71/945951971.db2.gz TUUUBAFANGBDQP-CQSZACIVSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573463325 945953672 /nfs/dbraw/zinc/95/36/72/945953672.db2.gz UVDWGLVPENJTIR-CYBMUJFWSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573463326 945953617 /nfs/dbraw/zinc/95/36/17/945953617.db2.gz UVDWGLVPENJTIR-ZDUSSCGKSA-N 1 0 375.433 -0.652 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573463409 945957088 /nfs/dbraw/zinc/95/70/88/945957088.db2.gz WFCSUJAHRCGTQE-JTQLQIEISA-N 1 0 381.462 -0.590 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573463412 945956350 /nfs/dbraw/zinc/95/63/50/945956350.db2.gz WFCSUJAHRCGTQE-SNVBAGLBSA-N 1 0 381.462 -0.590 20 0 GBADRO CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001573464526 945967516 /nfs/dbraw/zinc/96/75/16/945967516.db2.gz LQSZEBGTNYGIPT-TZMCWYRMSA-N 1 0 388.432 -0.849 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467294 945975968 /nfs/dbraw/zinc/97/59/68/945975968.db2.gz BBVNFAGCZKPWFJ-ABAIWWIYSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467295 945976960 /nfs/dbraw/zinc/97/69/60/945976960.db2.gz BBVNFAGCZKPWFJ-IAQYHMDHSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467296 945977172 /nfs/dbraw/zinc/97/71/72/945977172.db2.gz BBVNFAGCZKPWFJ-NHYWBVRUSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467297 945976345 /nfs/dbraw/zinc/97/63/45/945976345.db2.gz BBVNFAGCZKPWFJ-XHDPSFHLSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467549 945981572 /nfs/dbraw/zinc/98/15/72/945981572.db2.gz DZFLPUDFXNVVMU-BLLLJJGKSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467550 945982515 /nfs/dbraw/zinc/98/25/15/945982515.db2.gz DZFLPUDFXNVVMU-LRDDRELGSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467551 945982503 /nfs/dbraw/zinc/98/25/03/945982503.db2.gz DZFLPUDFXNVVMU-MLGOLLRUSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573467552 945982494 /nfs/dbraw/zinc/98/24/94/945982494.db2.gz DZFLPUDFXNVVMU-WBMJQRKESA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573467931 945987235 /nfs/dbraw/zinc/98/72/35/945987235.db2.gz JHTXEZHLLHWKJB-AAEUAGOBSA-N 1 0 390.448 -0.650 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573467932 945985937 /nfs/dbraw/zinc/98/59/37/945985937.db2.gz JHTXEZHLLHWKJB-DGCLKSJQSA-N 1 0 390.448 -0.650 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573467933 945987073 /nfs/dbraw/zinc/98/70/73/945987073.db2.gz JHTXEZHLLHWKJB-WCQYABFASA-N 1 0 390.448 -0.650 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573467934 945986836 /nfs/dbraw/zinc/98/68/36/945986836.db2.gz JHTXEZHLLHWKJB-YPMHNXCESA-N 1 0 390.448 -0.650 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467964 945988536 /nfs/dbraw/zinc/98/85/36/945988536.db2.gz JYWGLUYAXSFUDU-DOMZBBRYSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467965 945988248 /nfs/dbraw/zinc/98/82/48/945988248.db2.gz JYWGLUYAXSFUDU-IUODEOHRSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467967 945988183 /nfs/dbraw/zinc/98/81/83/945988183.db2.gz JYWGLUYAXSFUDU-SWLSCSKDSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573467968 945988751 /nfs/dbraw/zinc/98/87/51/945988751.db2.gz JYWGLUYAXSFUDU-WFASDCNBSA-N 1 0 389.460 -0.358 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573467978 945988153 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PXLBEAXEINOXTE-RISCZKNCSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573468618 945998245 /nfs/dbraw/zinc/99/82/45/945998245.db2.gz PXLBEAXEINOXTE-SMDDNHRTSA-N 1 0 375.433 -0.700 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573469430 946008571 /nfs/dbraw/zinc/00/85/71/946008571.db2.gz VZUBVIIGTHILHF-GXSJLCMTSA-N 1 0 381.462 -0.638 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573469431 946009076 /nfs/dbraw/zinc/00/90/76/946009076.db2.gz VZUBVIIGTHILHF-KOLCDFICSA-N 1 0 381.462 -0.638 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573469432 946009411 /nfs/dbraw/zinc/00/94/11/946009411.db2.gz VZUBVIIGTHILHF-MWLCHTKSSA-N 1 0 381.462 -0.638 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573469434 946007718 /nfs/dbraw/zinc/00/77/18/946007718.db2.gz VZUBVIIGTHILHF-ONGXEEELSA-N 1 0 381.462 -0.638 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573473403 946078981 /nfs/dbraw/zinc/07/89/81/946078981.db2.gz CFRLMIGLBHXKJA-BLLLJJGKSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573473406 946079177 /nfs/dbraw/zinc/07/91/77/946079177.db2.gz CFRLMIGLBHXKJA-LRDDRELGSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573473409 946078288 /nfs/dbraw/zinc/07/82/88/946078288.db2.gz CFRLMIGLBHXKJA-MLGOLLRUSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573473412 946078567 /nfs/dbraw/zinc/07/85/67/946078567.db2.gz CFRLMIGLBHXKJA-WBMJQRKESA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573473784 946084053 /nfs/dbraw/zinc/08/40/53/946084053.db2.gz FLWKFUJYODAIRQ-BNOWGMLFSA-N 1 0 384.444 -0.011 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573473785 946082921 /nfs/dbraw/zinc/08/29/21/946082921.db2.gz FLWKFUJYODAIRQ-FPMFFAJLSA-N 1 0 384.444 -0.011 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573474103 946086123 /nfs/dbraw/zinc/08/61/23/946086123.db2.gz IKCCZEHFSWUZMZ-BLLLJJGKSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573474106 946086345 /nfs/dbraw/zinc/08/63/45/946086345.db2.gz IKCCZEHFSWUZMZ-LRDDRELGSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573474108 946086883 /nfs/dbraw/zinc/08/68/83/946086883.db2.gz IKCCZEHFSWUZMZ-MLGOLLRUSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573474112 946086532 /nfs/dbraw/zinc/08/65/32/946086532.db2.gz IKCCZEHFSWUZMZ-WBMJQRKESA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573474341 946090396 /nfs/dbraw/zinc/09/03/96/946090396.db2.gz KSAQRHPFQDWWBI-AAEUAGOBSA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573474343 946089085 /nfs/dbraw/zinc/08/90/85/946089085.db2.gz KSAQRHPFQDWWBI-DGCLKSJQSA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573474345 946088737 /nfs/dbraw/zinc/08/87/37/946088737.db2.gz KSAQRHPFQDWWBI-WCQYABFASA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573474348 946087575 /nfs/dbraw/zinc/08/75/75/946087575.db2.gz KSAQRHPFQDWWBI-YPMHNXCESA-N 1 0 388.432 -0.762 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573475744 946104640 /nfs/dbraw/zinc/10/46/40/946104640.db2.gz XCVYXZZSGUAORI-DOMZBBRYSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573475748 946104051 /nfs/dbraw/zinc/10/40/51/946104051.db2.gz XCVYXZZSGUAORI-IUODEOHRSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573475752 946105294 /nfs/dbraw/zinc/10/52/94/946105294.db2.gz XCVYXZZSGUAORI-SWLSCSKDSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573475754 946104477 /nfs/dbraw/zinc/10/44/77/946104477.db2.gz XCVYXZZSGUAORI-WFASDCNBSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573475927 946106639 /nfs/dbraw/zinc/10/66/39/946106639.db2.gz XTKQOSCEBFTDTD-AAEUAGOBSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573475928 946106855 /nfs/dbraw/zinc/10/68/55/946106855.db2.gz XTKQOSCEBFTDTD-DGCLKSJQSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573475929 946106128 /nfs/dbraw/zinc/10/61/28/946106128.db2.gz XTKQOSCEBFTDTD-WCQYABFASA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573475930 946106247 /nfs/dbraw/zinc/10/62/47/946106247.db2.gz XTKQOSCEBFTDTD-YPMHNXCESA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573477337 946132330 /nfs/dbraw/zinc/13/23/30/946132330.db2.gz OTPCOCXWVXNMQR-LLVKDONJSA-N 1 0 388.432 -0.715 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573477338 946131695 /nfs/dbraw/zinc/13/16/95/946131695.db2.gz OTPCOCXWVXNMQR-NSHDSACASA-N 1 0 388.432 -0.715 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573477862 946142959 /nfs/dbraw/zinc/14/29/59/946142959.db2.gz UXGNKILDICRBCE-LLVKDONJSA-N 1 0 388.432 -0.766 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573477864 946142764 /nfs/dbraw/zinc/14/27/64/946142764.db2.gz UXGNKILDICRBCE-NSHDSACASA-N 1 0 388.432 -0.766 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573479209 946154168 /nfs/dbraw/zinc/15/41/68/946154168.db2.gz AKQCLMMWQRLEJT-NOZJJQNGSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573479210 946153901 /nfs/dbraw/zinc/15/39/01/946153901.db2.gz AKQCLMMWQRLEJT-RNCFNFMXSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573479211 946154631 /nfs/dbraw/zinc/15/46/31/946154631.db2.gz AKQCLMMWQRLEJT-TVQRCGJNSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573479212 946154251 /nfs/dbraw/zinc/15/42/51/946154251.db2.gz AKQCLMMWQRLEJT-ZANVPECISA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573479354 946156310 /nfs/dbraw/zinc/15/63/10/946156310.db2.gz BXHPHELTPDGTKK-BXKDBHETSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573479355 946157116 /nfs/dbraw/zinc/15/71/16/946157116.db2.gz BXHPHELTPDGTKK-CABZTGNLSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573479356 946155869 /nfs/dbraw/zinc/15/58/69/946155869.db2.gz BXHPHELTPDGTKK-JOYOIKCWSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573479357 946156989 /nfs/dbraw/zinc/15/69/89/946156989.db2.gz BXHPHELTPDGTKK-SKDRFNHKSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573479410 946158489 /nfs/dbraw/zinc/15/84/89/946158489.db2.gz CNVBHRDEARUQFG-HQRZJTNHSA-N 1 0 384.444 -0.107 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573479411 946158421 /nfs/dbraw/zinc/15/84/21/946158421.db2.gz CNVBHRDEARUQFG-LTZCYQRMSA-N 1 0 384.444 -0.107 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573479760 946165485 /nfs/dbraw/zinc/16/54/85/946165485.db2.gz HDDHMBAUUNDCGY-NOZJJQNGSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573479762 946165387 /nfs/dbraw/zinc/16/53/87/946165387.db2.gz HDDHMBAUUNDCGY-RNCFNFMXSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573479764 946165557 /nfs/dbraw/zinc/16/55/57/946165557.db2.gz HDDHMBAUUNDCGY-TVQRCGJNSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573479766 946165966 /nfs/dbraw/zinc/16/59/66/946165966.db2.gz HDDHMBAUUNDCGY-ZANVPECISA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573479818 946168109 /nfs/dbraw/zinc/16/81/09/946168109.db2.gz HRJVMFJYTDEIDZ-KPZWWZAWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573479819 946169049 /nfs/dbraw/zinc/16/90/49/946169049.db2.gz HRJVMFJYTDEIDZ-KZULUSFZSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573479820 946168665 /nfs/dbraw/zinc/16/86/65/946168665.db2.gz HRJVMFJYTDEIDZ-SGTLLEGYSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573479821 946168010 /nfs/dbraw/zinc/16/80/10/946168010.db2.gz HRJVMFJYTDEIDZ-XIKOKIGWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573479946 946167709 /nfs/dbraw/zinc/16/77/09/946167709.db2.gz IITVCHWHTGUKDQ-KPZWWZAWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573479947 946167979 /nfs/dbraw/zinc/16/79/79/946167979.db2.gz IITVCHWHTGUKDQ-KZULUSFZSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573479948 946168769 /nfs/dbraw/zinc/16/87/69/946168769.db2.gz IITVCHWHTGUKDQ-SGTLLEGYSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573479949 946168293 /nfs/dbraw/zinc/16/82/93/946168293.db2.gz IITVCHWHTGUKDQ-XIKOKIGWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573480036 946171208 /nfs/dbraw/zinc/17/12/08/946171208.db2.gz JQNPOAPUOWARRD-AAEUAGOBSA-N 1 0 388.432 -0.584 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573480037 946170167 /nfs/dbraw/zinc/17/01/67/946170167.db2.gz JQNPOAPUOWARRD-DGCLKSJQSA-N 1 0 388.432 -0.584 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573480038 946171357 /nfs/dbraw/zinc/17/13/57/946171357.db2.gz JQNPOAPUOWARRD-WCQYABFASA-N 1 0 388.432 -0.584 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001573480039 946170690 /nfs/dbraw/zinc/17/06/90/946170690.db2.gz JQNPOAPUOWARRD-YPMHNXCESA-N 1 0 388.432 -0.584 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573480268 946172767 /nfs/dbraw/zinc/17/27/67/946172767.db2.gz KBTZZFKNSXWYMY-NOZJJQNGSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573480269 946173442 /nfs/dbraw/zinc/17/34/42/946173442.db2.gz KBTZZFKNSXWYMY-RNCFNFMXSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573480270 946173308 /nfs/dbraw/zinc/17/33/08/946173308.db2.gz KBTZZFKNSXWYMY-TVQRCGJNSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573480271 946173262 /nfs/dbraw/zinc/17/32/62/946173262.db2.gz KBTZZFKNSXWYMY-ZANVPECISA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573480733 946177127 /nfs/dbraw/zinc/17/71/27/946177127.db2.gz MENOMQDQSMOPJX-BXKDBHETSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573480734 946177303 /nfs/dbraw/zinc/17/73/03/946177303.db2.gz MENOMQDQSMOPJX-CABZTGNLSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573480735 946178630 /nfs/dbraw/zinc/17/86/30/946178630.db2.gz MENOMQDQSMOPJX-JOYOIKCWSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573480736 946177023 /nfs/dbraw/zinc/17/70/23/946177023.db2.gz MENOMQDQSMOPJX-SKDRFNHKSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573481387 946183151 /nfs/dbraw/zinc/18/31/51/946183151.db2.gz OYXLNAGSGPXWCY-KPZWWZAWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573481388 946181716 /nfs/dbraw/zinc/18/17/16/946181716.db2.gz OYXLNAGSGPXWCY-KZULUSFZSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573481389 946183346 /nfs/dbraw/zinc/18/33/46/946183346.db2.gz OYXLNAGSGPXWCY-SGTLLEGYSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573481390 946181852 /nfs/dbraw/zinc/18/18/52/946181852.db2.gz OYXLNAGSGPXWCY-XIKOKIGWSA-N 1 0 387.444 -0.556 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573481611 946184415 /nfs/dbraw/zinc/18/44/15/946184415.db2.gz PXRQNRWNLQNWHK-NOZJJQNGSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573481612 946184103 /nfs/dbraw/zinc/18/41/03/946184103.db2.gz PXRQNRWNLQNWHK-RNCFNFMXSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573481613 946185089 /nfs/dbraw/zinc/18/50/89/946185089.db2.gz PXRQNRWNLQNWHK-TVQRCGJNSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573481614 946184466 /nfs/dbraw/zinc/18/44/66/946184466.db2.gz PXRQNRWNLQNWHK-ZANVPECISA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573482229 946194133 /nfs/dbraw/zinc/19/41/33/946194133.db2.gz VLWOVKSYJUNCDU-BXKDBHETSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573482230 946193876 /nfs/dbraw/zinc/19/38/76/946193876.db2.gz VLWOVKSYJUNCDU-CABZTGNLSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573482231 946193747 /nfs/dbraw/zinc/19/37/47/946193747.db2.gz VLWOVKSYJUNCDU-JOYOIKCWSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573482232 946193337 /nfs/dbraw/zinc/19/33/37/946193337.db2.gz VLWOVKSYJUNCDU-SKDRFNHKSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573482251 946194148 /nfs/dbraw/zinc/19/41/48/946194148.db2.gz VQMKMTNXHWWNQD-LLVKDONJSA-N 1 0 388.432 -0.715 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573482252 946193914 /nfs/dbraw/zinc/19/39/14/946193914.db2.gz VQMKMTNXHWWNQD-NSHDSACASA-N 1 0 388.432 -0.715 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573482453 946195879 /nfs/dbraw/zinc/19/58/79/946195879.db2.gz WRPPNAAQPWIRLJ-BXKDBHETSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573482454 946196854 /nfs/dbraw/zinc/19/68/54/946196854.db2.gz WRPPNAAQPWIRLJ-CABZTGNLSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573482455 946196728 /nfs/dbraw/zinc/19/67/28/946196728.db2.gz WRPPNAAQPWIRLJ-JOYOIKCWSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573482456 946196165 /nfs/dbraw/zinc/19/61/65/946196165.db2.gz WRPPNAAQPWIRLJ-SKDRFNHKSA-N 1 0 379.396 -0.903 20 0 GBADRO CC(=O)N[C@H](C)C(=O)NCCOCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573485385 946223269 /nfs/dbraw/zinc/22/32/69/946223269.db2.gz RMLSDGFZVOAYKQ-GFCCVEGCSA-N 1 0 390.448 -0.336 20 0 GBADRO CC(=O)N[C@@H](C)C(=O)NCCOCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573485389 946224624 /nfs/dbraw/zinc/22/46/24/946224624.db2.gz RMLSDGFZVOAYKQ-LBPRGKRZSA-N 1 0 390.448 -0.336 20 0 GBADRO CC(=O)NC1(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001573488871 946280059 /nfs/dbraw/zinc/28/00/59/946280059.db2.gz ORAPPMOZBCOIFX-GFCCVEGCSA-N 1 0 388.432 -0.979 20 0 GBADRO CC(=O)NC1(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001573488872 946279938 /nfs/dbraw/zinc/27/99/38/946279938.db2.gz ORAPPMOZBCOIFX-LBPRGKRZSA-N 1 0 388.432 -0.979 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573498927 946364783 /nfs/dbraw/zinc/36/47/83/946364783.db2.gz AVTJDWFVSAUKPS-CYBMUJFWSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573498928 946363646 /nfs/dbraw/zinc/36/36/46/946363646.db2.gz AVTJDWFVSAUKPS-ZDUSSCGKSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573498939 946363305 /nfs/dbraw/zinc/36/33/05/946363305.db2.gz BCSCWQKKSNOWEK-GFCCVEGCSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573498940 946364650 /nfs/dbraw/zinc/36/46/50/946364650.db2.gz BCSCWQKKSNOWEK-LBPRGKRZSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573498970 946365916 /nfs/dbraw/zinc/36/59/16/946365916.db2.gz BWVKYGOQWWYKHI-HNNXBMFYSA-N 1 0 375.433 -0.746 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573498971 946365637 /nfs/dbraw/zinc/36/56/37/946365637.db2.gz BWVKYGOQWWYKHI-OAHLLOKOSA-N 1 0 375.433 -0.746 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573499470 946366824 /nfs/dbraw/zinc/36/68/24/946366824.db2.gz DGIZLVOWZSCESR-GFCCVEGCSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573499472 946367284 /nfs/dbraw/zinc/36/72/84/946367284.db2.gz DGIZLVOWZSCESR-LBPRGKRZSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573500369 946372831 /nfs/dbraw/zinc/37/28/31/946372831.db2.gz IJFXMGANPLPQCY-CYBMUJFWSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573500370 946372226 /nfs/dbraw/zinc/37/22/26/946372226.db2.gz IJFXMGANPLPQCY-ZDUSSCGKSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573500489 946374115 /nfs/dbraw/zinc/37/41/15/946374115.db2.gz KURLXVNEDNDMDN-CYBMUJFWSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573500490 946374702 /nfs/dbraw/zinc/37/47/02/946374702.db2.gz KURLXVNEDNDMDN-ZDUSSCGKSA-N 1 0 379.396 -0.949 20 0 GBADRO CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573501974 946386322 /nfs/dbraw/zinc/38/63/22/946386322.db2.gz TURGIMDJIHIDKH-UHFFFAOYSA-N 1 0 379.396 -0.948 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573502428 946387663 /nfs/dbraw/zinc/38/76/63/946387663.db2.gz VMZGFQGRGZUQJO-LLVKDONJSA-N 1 0 381.462 -0.685 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573502429 946387059 /nfs/dbraw/zinc/38/70/59/946387059.db2.gz VMZGFQGRGZUQJO-NSHDSACASA-N 1 0 381.462 -0.685 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573502430 946386866 /nfs/dbraw/zinc/38/68/66/946386866.db2.gz VPMQOPFTHKJLIS-HNNXBMFYSA-N 1 0 375.433 -0.746 20 0 GBADRO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573502431 946388290 /nfs/dbraw/zinc/38/82/90/946388290.db2.gz VPMQOPFTHKJLIS-OAHLLOKOSA-N 1 0 375.433 -0.746 20 0 GBADRO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573503969 946401834 /nfs/dbraw/zinc/40/18/34/946401834.db2.gz CNQDCQHEBPYVSJ-UHFFFAOYSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573504268 946409341 /nfs/dbraw/zinc/40/93/41/946409341.db2.gz GIUOKNBVUIWIIH-GOSISDBHSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573504273 946409144 /nfs/dbraw/zinc/40/91/44/946409144.db2.gz GIUOKNBVUIWIIH-SFHVURJKSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573506304 946430210 /nfs/dbraw/zinc/43/02/10/946430210.db2.gz PHVVORJPLKWWBW-UHFFFAOYSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573506338 946430142 /nfs/dbraw/zinc/43/01/42/946430142.db2.gz PNXSXWMYCHWMFF-UHFFFAOYSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573506462 946435371 /nfs/dbraw/zinc/43/53/71/946435371.db2.gz QXMGTHQQHQZWQL-GOSISDBHSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573506464 946434494 /nfs/dbraw/zinc/43/44/94/946434494.db2.gz QXMGTHQQHQZWQL-SFHVURJKSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573506784 946438852 /nfs/dbraw/zinc/43/88/52/946438852.db2.gz UBDDPHDKKDTFAV-GOSISDBHSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573506786 946439529 /nfs/dbraw/zinc/43/95/29/946439529.db2.gz UBDDPHDKKDTFAV-SFHVURJKSA-N 1 0 387.444 -0.554 20 0 GBADRO CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001573507633 946448139 /nfs/dbraw/zinc/44/81/39/946448139.db2.gz ZYWOPFFFUHWADS-AEGPPILISA-N 1 0 384.444 -0.141 20 0 GBADRO CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001573507636 946447259 /nfs/dbraw/zinc/44/72/59/946447259.db2.gz ZYWOPFFFUHWADS-CFVMTHIKSA-N 1 0 384.444 -0.141 20 0 GBADRO CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001573507639 946447567 /nfs/dbraw/zinc/44/75/67/946447567.db2.gz ZYWOPFFFUHWADS-NWANDNLSSA-N 1 0 384.444 -0.141 20 0 GBADRO CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001573507641 946447740 /nfs/dbraw/zinc/44/77/40/946447740.db2.gz ZYWOPFFFUHWADS-QEJZJMRPSA-N 1 0 384.444 -0.141 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573509024 946457184 /nfs/dbraw/zinc/45/71/84/946457184.db2.gz DQOCJRQVNJYWPD-CYBMUJFWSA-N 1 0 391.407 -0.541 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573509141 946456477 /nfs/dbraw/zinc/45/64/77/946456477.db2.gz DQOCJRQVNJYWPD-ZDUSSCGKSA-N 1 0 391.407 -0.541 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573509209 946459867 /nfs/dbraw/zinc/45/98/67/946459867.db2.gz HMKWJJJYNBIRAR-ABAIWWIYSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573509210 946459201 /nfs/dbraw/zinc/45/92/01/946459201.db2.gz HMKWJJJYNBIRAR-IAQYHMDHSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573509211 946459579 /nfs/dbraw/zinc/45/95/79/946459579.db2.gz HMKWJJJYNBIRAR-NHYWBVRUSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573509212 946460397 /nfs/dbraw/zinc/46/03/97/946460397.db2.gz HMKWJJJYNBIRAR-XHDPSFHLSA-N 1 0 388.432 -0.844 20 0 GBADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573509229 946459781 /nfs/dbraw/zinc/45/97/81/946459781.db2.gz IKEYLPRTXONCCA-INIZCTEOSA-N 1 0 387.444 -0.290 20 0 GBADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573509230 946460052 /nfs/dbraw/zinc/46/00/52/946460052.db2.gz IKEYLPRTXONCCA-MRXNPFEDSA-N 1 0 387.444 -0.290 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573509261 946459375 /nfs/dbraw/zinc/45/93/75/946459375.db2.gz IRQWVKNOGNMCGQ-LLVKDONJSA-N 1 0 379.446 -0.619 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573509262 946459283 /nfs/dbraw/zinc/45/92/83/946459283.db2.gz IRQWVKNOGNMCGQ-NSHDSACASA-N 1 0 379.446 -0.619 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509273 946462853 /nfs/dbraw/zinc/46/28/53/946462853.db2.gz JIKRNKZDZFGXPC-BLLLJJGKSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509274 946462500 /nfs/dbraw/zinc/46/25/00/946462500.db2.gz JIKRNKZDZFGXPC-LRDDRELGSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509275 946461272 /nfs/dbraw/zinc/46/12/72/946461272.db2.gz JIKRNKZDZFGXPC-MLGOLLRUSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509276 946461725 /nfs/dbraw/zinc/46/17/25/946461725.db2.gz JIKRNKZDZFGXPC-WBMJQRKESA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573509283 946462416 /nfs/dbraw/zinc/46/24/16/946462416.db2.gz JXBGWFHRAJDMQW-CYBMUJFWSA-N 1 0 391.407 -0.541 20 0 GBADRO 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ZINC001573509761 946466320 /nfs/dbraw/zinc/46/63/20/946466320.db2.gz QGRKGEJGIDTYSL-BLLLJJGKSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573509762 946465740 /nfs/dbraw/zinc/46/57/40/946465740.db2.gz QGRKGEJGIDTYSL-LRDDRELGSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573509763 946467060 /nfs/dbraw/zinc/46/70/60/946467060.db2.gz QGRKGEJGIDTYSL-MLGOLLRUSA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573509764 946466820 /nfs/dbraw/zinc/46/68/20/946466820.db2.gz QGRKGEJGIDTYSL-WBMJQRKESA-N 1 0 387.444 -0.292 20 0 GBADRO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509802 946467389 /nfs/dbraw/zinc/46/73/89/946467389.db2.gz SGRZPKPBASAFIQ-INIZCTEOSA-N 1 0 387.444 -0.290 20 0 GBADRO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573509803 946466420 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ZINC001573527508 946643242 /nfs/dbraw/zinc/64/32/42/946643242.db2.gz AMIWCGFWSQPQDX-CQSZACIVSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573527529 946644562 /nfs/dbraw/zinc/64/45/62/946644562.db2.gz BQSAZIPBJITVGO-NHAGDIPZSA-N 1 0 384.444 -0.025 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527699 946645577 /nfs/dbraw/zinc/64/55/77/946645577.db2.gz FBSGSSPKELBUPO-HNNXBMFYSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527700 946646106 /nfs/dbraw/zinc/64/61/06/946646106.db2.gz FBSGSSPKELBUPO-OAHLLOKOSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527751 946646249 /nfs/dbraw/zinc/64/62/49/946646249.db2.gz GWDRJAMQKREFQK-HNNXBMFYSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527752 946647849 /nfs/dbraw/zinc/64/78/49/946647849.db2.gz GWDRJAMQKREFQK-OAHLLOKOSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573528087 946655336 /nfs/dbraw/zinc/65/53/36/946655336.db2.gz UBOBXCOEWWDQKO-HNNXBMFYSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573528088 946655456 /nfs/dbraw/zinc/65/54/56/946655456.db2.gz UBOBXCOEWWDQKO-OAHLLOKOSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573528144 946657802 /nfs/dbraw/zinc/65/78/02/946657802.db2.gz VZJGMXJJRFNVCY-AWEZNQCLSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573528145 946657389 /nfs/dbraw/zinc/65/73/89/946657389.db2.gz VZJGMXJJRFNVCY-CQSZACIVSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573528205 946659383 /nfs/dbraw/zinc/65/93/83/946659383.db2.gz YICMQGYPOBHLTP-GFCCVEGCSA-N 1 0 390.448 -0.957 20 0 GBADRO CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573528206 946658847 /nfs/dbraw/zinc/65/88/47/946658847.db2.gz YICMQGYPOBHLTP-LBPRGKRZSA-N 1 0 390.448 -0.957 20 0 GBADRO CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573528359 946658816 /nfs/dbraw/zinc/65/88/16/946658816.db2.gz AKNRKYWADBLUFM-CQSZACIVSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573528446 946661721 /nfs/dbraw/zinc/66/17/21/946661721.db2.gz CCDFTDINUDFPGR-JOCQHMNTSA-N 1 0 376.421 -0.802 20 0 GBADRO CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573528688 946664343 /nfs/dbraw/zinc/66/43/43/946664343.db2.gz GADOEKBQLJZROU-UHFFFAOYSA-N 1 0 390.448 -0.460 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573529052 946669657 /nfs/dbraw/zinc/66/96/57/946669657.db2.gz IIQWGNCYVVQTRO-ZDUSSCGKSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573529487 946675245 /nfs/dbraw/zinc/67/52/45/946675245.db2.gz MZQXDBBUTBHIPZ-CYBMUJFWSA-N 1 0 390.448 -0.506 20 0 GBADRO CC(=O)NCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573529491 946675912 /nfs/dbraw/zinc/67/59/12/946675912.db2.gz MZQXDBBUTBHIPZ-ZDUSSCGKSA-N 1 0 390.448 -0.506 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573530153 946687516 /nfs/dbraw/zinc/68/75/16/946687516.db2.gz UXJZAICVADUKLX-AWEZNQCLSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573530154 946687834 /nfs/dbraw/zinc/68/78/34/946687834.db2.gz UXJZAICVADUKLX-CQSZACIVSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573530356 946695070 /nfs/dbraw/zinc/69/50/70/946695070.db2.gz YCJFGQCVJXWIOA-AWEZNQCLSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573530358 946695012 /nfs/dbraw/zinc/69/50/12/946695012.db2.gz YCJFGQCVJXWIOA-CQSZACIVSA-N 1 0 390.448 -0.458 20 0 GBADRO CC(=O)NCCOCC[N@@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573530414 946693849 /nfs/dbraw/zinc/69/38/49/946693849.db2.gz ZIXYGBLCTDXUIA-UHFFFAOYSA-N 1 0 390.448 -0.505 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573535310 946721769 /nfs/dbraw/zinc/72/17/69/946721769.db2.gz BQBQSRJSJHYSNP-HZPDHXFCSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573535315 946722845 /nfs/dbraw/zinc/72/28/45/946722845.db2.gz BQBQSRJSJHYSNP-JKSUJKDBSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573535317 946721949 /nfs/dbraw/zinc/72/19/49/946721949.db2.gz BTIBTEZMJUFDIG-IUODEOHRSA-N 1 0 390.448 -0.958 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573535319 946722641 /nfs/dbraw/zinc/72/26/41/946722641.db2.gz BTIBTEZMJUFDIG-SWLSCSKDSA-N 1 0 390.448 -0.958 20 0 GBADRO CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(C)C ZINC001573535382 946721707 /nfs/dbraw/zinc/72/17/07/946721707.db2.gz DNPDDVVCJPOJFV-CLWVCHIJSA-N 1 0 384.444 -0.027 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573535705 946725096 /nfs/dbraw/zinc/72/50/96/946725096.db2.gz GULRLLWACYNHMW-HZPDHXFCSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573535706 946725746 /nfs/dbraw/zinc/72/57/46/946725746.db2.gz GULRLLWACYNHMW-JKSUJKDBSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536157 946732771 /nfs/dbraw/zinc/73/27/71/946732771.db2.gz QMFIBYWAUIVQEU-GDBMZVCRSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536158 946732157 /nfs/dbraw/zinc/73/21/57/946732157.db2.gz QMFIBYWAUIVQEU-GOEBONIOSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573536533 946737716 /nfs/dbraw/zinc/73/77/16/946737716.db2.gz XHHHYRZRCABLRB-HZPDHXFCSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573536534 946738975 /nfs/dbraw/zinc/73/89/75/946738975.db2.gz XHHHYRZRCABLRB-JKSUJKDBSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573536560 946738377 /nfs/dbraw/zinc/73/83/77/946738377.db2.gz XOFGBVAXDDRYLM-IUODEOHRSA-N 1 0 390.448 -0.958 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001573536561 946737443 /nfs/dbraw/zinc/73/74/43/946737443.db2.gz XOFGBVAXDDRYLM-SWLSCSKDSA-N 1 0 390.448 -0.958 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573536631 946737916 /nfs/dbraw/zinc/73/79/16/946737916.db2.gz ZSNGRWRNOAXHHD-HZPDHXFCSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573536632 946737015 /nfs/dbraw/zinc/73/70/15/946737015.db2.gz ZSNGRWRNOAXHHD-JKSUJKDBSA-N 1 0 389.460 -0.406 20 0 GBADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573538476 946767824 /nfs/dbraw/zinc/76/78/24/946767824.db2.gz UIHXFXWEVPXSSQ-DOMZBBRYSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573538478 946769300 /nfs/dbraw/zinc/76/93/00/946769300.db2.gz UIHXFXWEVPXSSQ-WFASDCNBSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573538565 946770719 /nfs/dbraw/zinc/77/07/19/946770719.db2.gz XTXLTKPLCRWPKC-DOMZBBRYSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573538567 946770823 /nfs/dbraw/zinc/77/08/23/946770823.db2.gz XTXLTKPLCRWPKC-WFASDCNBSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573540413 946776465 /nfs/dbraw/zinc/77/64/65/946776465.db2.gz DGXRDCJVUDOGFU-BXUZGUMPSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573540414 946776755 /nfs/dbraw/zinc/77/67/55/946776755.db2.gz DGXRDCJVUDOGFU-SMDDNHRTSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573540430 946776922 /nfs/dbraw/zinc/77/69/22/946776922.db2.gz DQCOUEHVHIXCHH-BXUZGUMPSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573540431 946775464 /nfs/dbraw/zinc/77/54/64/946775464.db2.gz DQCOUEHVHIXCHH-SMDDNHRTSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573541630 946787341 /nfs/dbraw/zinc/78/73/41/946787341.db2.gz UIHXFXWEVPXSSQ-IUODEOHRSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573541631 946788536 /nfs/dbraw/zinc/78/85/36/946788536.db2.gz UIHXFXWEVPXSSQ-SWLSCSKDSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573541902 946790629 /nfs/dbraw/zinc/79/06/29/946790629.db2.gz XTXLTKPLCRWPKC-IUODEOHRSA-N 1 0 390.448 -0.877 20 0 GBADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573541903 946790783 /nfs/dbraw/zinc/79/07/83/946790783.db2.gz XTXLTKPLCRWPKC-SWLSCSKDSA-N 1 0 390.448 -0.877 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cncn1 ZINC001573592711 947344369 /nfs/dbraw/zinc/34/43/69/947344369.db2.gz MCEPONDSFRHJCR-NEPJUHHUSA-N 1 0 386.420 -0.630 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cncn1 ZINC001573592713 947347054 /nfs/dbraw/zinc/34/70/54/947347054.db2.gz MCEPONDSFRHJCR-NWDGAFQWSA-N 1 0 386.420 -0.630 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cncn1 ZINC001573592715 947345705 /nfs/dbraw/zinc/34/57/05/947345705.db2.gz MCEPONDSFRHJCR-RYUDHWBXSA-N 1 0 386.420 -0.630 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cncn1 ZINC001573592716 947345983 /nfs/dbraw/zinc/34/59/83/947345983.db2.gz MCEPONDSFRHJCR-VXGBXAGGSA-N 1 0 386.420 -0.630 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573593201 947366131 /nfs/dbraw/zinc/36/61/31/947366131.db2.gz IRONXJJMRUUOPT-GHMZBOCLSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573593235 947363785 /nfs/dbraw/zinc/36/37/85/947363785.db2.gz IRONXJJMRUUOPT-MNOVXSKESA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573593236 947364709 /nfs/dbraw/zinc/36/47/09/947364709.db2.gz IRONXJJMRUUOPT-QWRGUYRKSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573593238 947365257 /nfs/dbraw/zinc/36/52/57/947365257.db2.gz IRONXJJMRUUOPT-WDEREUQCSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573593318 947367013 /nfs/dbraw/zinc/36/70/13/947367013.db2.gz JTSJCLNLRMSNRS-KPPDAEKUSA-N 1 0 379.446 -0.482 20 0 GBADRO C[C@@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573593322 947367630 /nfs/dbraw/zinc/36/76/30/947367630.db2.gz JTSJCLNLRMSNRS-WHXUTIOJSA-N 1 0 379.446 -0.482 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cncn1 ZINC001573594505 947397455 /nfs/dbraw/zinc/39/74/55/947397455.db2.gz BJKWJCHNYFQYOS-GXTWGEPZSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cncn1 ZINC001573594506 947398902 /nfs/dbraw/zinc/39/89/02/947398902.db2.gz BJKWJCHNYFQYOS-JSGCOSHPSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cncn1 ZINC001573594507 947399342 /nfs/dbraw/zinc/39/93/42/947399342.db2.gz BJKWJCHNYFQYOS-OCCSQVGLSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cncn1 ZINC001573594508 947397892 /nfs/dbraw/zinc/39/78/92/947397892.db2.gz BJKWJCHNYFQYOS-TZMCWYRMSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573594513 947398560 /nfs/dbraw/zinc/39/85/60/947398560.db2.gz BKZZKIVSKINAHM-LLVKDONJSA-N 1 0 381.462 -0.021 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594582 947400657 /nfs/dbraw/zinc/40/06/57/947400657.db2.gz QZEQHVITJVMHGL-CMPLNLGQSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594583 947401615 /nfs/dbraw/zinc/40/16/15/947401615.db2.gz QZEQHVITJVMHGL-JQWIXIFHSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594584 947401122 /nfs/dbraw/zinc/40/11/22/947401122.db2.gz QZEQHVITJVMHGL-PWSUYJOCSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594585 947401732 /nfs/dbraw/zinc/40/17/32/947401732.db2.gz QZEQHVITJVMHGL-ZYHUDNBSSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573594626 947400615 /nfs/dbraw/zinc/40/06/15/947400615.db2.gz BKZZKIVSKINAHM-NSHDSACASA-N 1 0 381.462 -0.021 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573595712 947423421 /nfs/dbraw/zinc/42/34/21/947423421.db2.gz ZZGSQFFTYFCGTO-CMPLNLGQSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573595715 947424733 /nfs/dbraw/zinc/42/47/33/947424733.db2.gz ZZGSQFFTYFCGTO-JQWIXIFHSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573595718 947423720 /nfs/dbraw/zinc/42/37/20/947423720.db2.gz ZZGSQFFTYFCGTO-PWSUYJOCSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573595721 947425115 /nfs/dbraw/zinc/42/51/15/947425115.db2.gz ZZGSQFFTYFCGTO-ZYHUDNBSSA-N 1 0 378.437 -0.964 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cncn1 ZINC001573596439 947428721 /nfs/dbraw/zinc/42/87/21/947428721.db2.gz KCHAPHMSOQJOAD-DOMZBBRYSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cncn1 ZINC001573596441 947430063 /nfs/dbraw/zinc/43/00/63/947430063.db2.gz KCHAPHMSOQJOAD-IUODEOHRSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cncn1 ZINC001573596443 947429010 /nfs/dbraw/zinc/42/90/10/947429010.db2.gz KCHAPHMSOQJOAD-SWLSCSKDSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cncn1 ZINC001573596444 947429275 /nfs/dbraw/zinc/42/92/75/947429275.db2.gz KCHAPHMSOQJOAD-WFASDCNBSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573598854 947446312 /nfs/dbraw/zinc/44/63/12/947446312.db2.gz SNOGEHNXPOOMAD-GHMZBOCLSA-N 1 0 391.461 -0.310 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573598855 947446911 /nfs/dbraw/zinc/44/69/11/947446911.db2.gz SNOGEHNXPOOMAD-MNOVXSKESA-N 1 0 391.461 -0.310 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573598856 947447239 /nfs/dbraw/zinc/44/72/39/947447239.db2.gz SNOGEHNXPOOMAD-QWRGUYRKSA-N 1 0 391.461 -0.310 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573598857 947447202 /nfs/dbraw/zinc/44/72/02/947447202.db2.gz SNOGEHNXPOOMAD-WDEREUQCSA-N 1 0 391.461 -0.310 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573599275 947453277 /nfs/dbraw/zinc/45/32/77/947453277.db2.gz WYVLYMSTOACMDJ-DOMZBBRYSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573599276 947452975 /nfs/dbraw/zinc/45/29/75/947452975.db2.gz WYVLYMSTOACMDJ-IUODEOHRSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573599277 947451371 /nfs/dbraw/zinc/45/13/71/947451371.db2.gz WYVLYMSTOACMDJ-SWLSCSKDSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573599278 947454179 /nfs/dbraw/zinc/45/41/79/947454179.db2.gz WYVLYMSTOACMDJ-WFASDCNBSA-N 1 0 385.432 -0.372 20 0 GBADRO C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)S(C)(=O)=O ZINC001573604842 947519877 /nfs/dbraw/zinc/51/98/77/947519877.db2.gz XEBRJTTWLNBNGF-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)S(C)(=O)=O ZINC001573604843 947520033 /nfs/dbraw/zinc/52/00/33/947520033.db2.gz XEBRJTTWLNBNGF-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)S(C)(=O)=O ZINC001573604859 947521634 /nfs/dbraw/zinc/52/16/34/947521634.db2.gz XIQOKAGNSDFCJU-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)S(C)(=O)=O ZINC001573604861 947521352 /nfs/dbraw/zinc/52/13/52/947521352.db2.gz XIQOKAGNSDFCJU-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573607859 947554875 /nfs/dbraw/zinc/55/48/75/947554875.db2.gz SUOZYONLSXAFTO-GFCCVEGCSA-N 1 0 385.432 -0.546 20 0 GBADRO C[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573607860 947555090 /nfs/dbraw/zinc/55/50/90/947555090.db2.gz SUOZYONLSXAFTO-LBPRGKRZSA-N 1 0 385.432 -0.546 20 0 GBADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573607983 947554332 /nfs/dbraw/zinc/55/43/32/947554332.db2.gz TXUAWQARMVAFHV-DOMZBBRYSA-N 1 0 375.433 -0.269 20 0 GBADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573607984 947554966 /nfs/dbraw/zinc/55/49/66/947554966.db2.gz TXUAWQARMVAFHV-IUODEOHRSA-N 1 0 375.433 -0.269 20 0 GBADRO C[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573607985 947555356 /nfs/dbraw/zinc/55/53/56/947555356.db2.gz TXUAWQARMVAFHV-SWLSCSKDSA-N 1 0 375.433 -0.269 20 0 GBADRO C[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573607986 947555539 /nfs/dbraw/zinc/55/55/39/947555539.db2.gz TXUAWQARMVAFHV-WFASDCNBSA-N 1 0 375.433 -0.269 20 0 GBADRO C[C@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573620011 947677246 /nfs/dbraw/zinc/67/72/46/947677246.db2.gz ZTQBRYHGVNXVTQ-GHMZBOCLSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573620012 947676659 /nfs/dbraw/zinc/67/66/59/947676659.db2.gz ZTQBRYHGVNXVTQ-MNOVXSKESA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@@H](C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573620013 947676869 /nfs/dbraw/zinc/67/68/69/947676869.db2.gz ZTQBRYHGVNXVTQ-QWRGUYRKSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@@H](C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573620014 947676492 /nfs/dbraw/zinc/67/64/92/947676492.db2.gz ZTQBRYHGVNXVTQ-WDEREUQCSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573627925 947740619 /nfs/dbraw/zinc/74/06/19/947740619.db2.gz HKZFHDRBAIXIGN-GHMZBOCLSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@H](C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573627926 947740866 /nfs/dbraw/zinc/74/08/66/947740866.db2.gz 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C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573658599 948009946 /nfs/dbraw/zinc/00/99/46/948009946.db2.gz SMIYUENREHKMLA-MWLCHTKSSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573658600 948008575 /nfs/dbraw/zinc/00/85/75/948008575.db2.gz SMIYUENREHKMLA-ONGXEEELSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658666 948011147 /nfs/dbraw/zinc/01/11/47/948011147.db2.gz STBVAHYXJXYHAS-GXSJLCMTSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658667 948011886 /nfs/dbraw/zinc/01/18/86/948011886.db2.gz STBVAHYXJXYHAS-KOLCDFICSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658668 948012126 /nfs/dbraw/zinc/01/21/26/948012126.db2.gz STBVAHYXJXYHAS-MWLCHTKSSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573658669 948011772 /nfs/dbraw/zinc/01/17/72/948011772.db2.gz STBVAHYXJXYHAS-ONGXEEELSA-N 1 0 389.420 -0.685 20 0 GBADRO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573659061 948013619 /nfs/dbraw/zinc/01/36/19/948013619.db2.gz UYTZPIXHSIREEY-SECBINFHSA-N 1 0 377.409 -0.828 20 0 GBADRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573659063 948014803 /nfs/dbraw/zinc/01/48/03/948014803.db2.gz UYTZPIXHSIREEY-VIFPVBQESA-N 1 0 377.409 -0.828 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001573663290 948035057 /nfs/dbraw/zinc/03/50/57/948035057.db2.gz KURXUZCSPPYNKW-RTXFEEFZSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001573663293 948034734 /nfs/dbraw/zinc/03/47/34/948034734.db2.gz KURXUZCSPPYNKW-WCFLWFBJSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001573663513 948037633 /nfs/dbraw/zinc/03/76/33/948037633.db2.gz NJAIVUXXDYFVFR-SDDRHHMPSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001573663514 948036264 /nfs/dbraw/zinc/03/62/64/948036264.db2.gz NJAIVUXXDYFVFR-UTUOFQBUSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001573663719 948039496 /nfs/dbraw/zinc/03/94/96/948039496.db2.gz OWJYYGQFIAGBFF-RTXFEEFZSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001573663720 948039003 /nfs/dbraw/zinc/03/90/03/948039003.db2.gz OWJYYGQFIAGBFF-WCFLWFBJSA-N 1 0 384.444 -0.134 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001573664041 948046077 /nfs/dbraw/zinc/04/60/77/948046077.db2.gz RGCSIMYOMIWFLN-JXJLXUTGSA-N 1 0 384.444 -0.231 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001573664042 948045385 /nfs/dbraw/zinc/04/53/85/948045385.db2.gz RGCSIMYOMIWFLN-NZPIUUIZSA-N 1 0 384.444 -0.231 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664275 948050565 /nfs/dbraw/zinc/05/05/65/948050565.db2.gz SVTHEUXXGTVDIX-BMLIUANNSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664277 948050628 /nfs/dbraw/zinc/05/06/28/948050628.db2.gz SVTHEUXXGTVDIX-BTDLBPIBSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664279 948050356 /nfs/dbraw/zinc/05/03/56/948050356.db2.gz SVTHEUXXGTVDIX-DYZYQPBXSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664280 948051996 /nfs/dbraw/zinc/05/19/96/948051996.db2.gz SVTHEUXXGTVDIX-QGHHPUGFSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573664408 948053505 /nfs/dbraw/zinc/05/35/05/948053505.db2.gz UYVOZEGZUQOTME-BMLIUANNSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573664410 948052715 /nfs/dbraw/zinc/05/27/15/948052715.db2.gz UYVOZEGZUQOTME-BTDLBPIBSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573664413 948052742 /nfs/dbraw/zinc/05/27/42/948052742.db2.gz UYVOZEGZUQOTME-DYZYQPBXSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573664416 948054129 /nfs/dbraw/zinc/05/41/29/948054129.db2.gz UYVOZEGZUQOTME-QGHHPUGFSA-N 1 0 388.432 -0.972 20 0 GBADRO C[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001573676766 948128555 /nfs/dbraw/zinc/12/85/55/948128555.db2.gz VKEZETDBGJUZRH-JTQLQIEISA-N 1 0 379.446 -0.220 20 0 GBADRO C[C@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001573676769 948129138 /nfs/dbraw/zinc/12/91/38/948129138.db2.gz VKEZETDBGJUZRH-SNVBAGLBSA-N 1 0 379.446 -0.220 20 0 GBADRO C[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)S(C)(=O)=O ZINC001573678013 948145380 /nfs/dbraw/zinc/14/53/80/948145380.db2.gz BXWBWHUQDDXHLO-NOZJJQNGSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)S(C)(=O)=O ZINC001573678015 948145531 /nfs/dbraw/zinc/14/55/31/948145531.db2.gz BXWBWHUQDDXHLO-RNCFNFMXSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)S(C)(=O)=O ZINC001573678017 948144999 /nfs/dbraw/zinc/14/49/99/948144999.db2.gz BXWBWHUQDDXHLO-TVQRCGJNSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)S(C)(=O)=O ZINC001573678018 948145859 /nfs/dbraw/zinc/14/58/59/948145859.db2.gz BXWBWHUQDDXHLO-ZANVPECISA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573678643 948152753 /nfs/dbraw/zinc/15/27/53/948152753.db2.gz FVBHPFKWZZHYQY-DOMZBBRYSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573678644 948153000 /nfs/dbraw/zinc/15/30/00/948153000.db2.gz FVBHPFKWZZHYQY-IUODEOHRSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573678645 948153021 /nfs/dbraw/zinc/15/30/21/948153021.db2.gz FVBHPFKWZZHYQY-SWLSCSKDSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573678647 948153116 /nfs/dbraw/zinc/15/31/16/948153116.db2.gz FVBHPFKWZZHYQY-WFASDCNBSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573679897 948168946 /nfs/dbraw/zinc/16/89/46/948168946.db2.gz KGFPQXORSQVCCY-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573679900 948169525 /nfs/dbraw/zinc/16/95/25/948169525.db2.gz KGFPQXORSQVCCY-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573679902 948169008 /nfs/dbraw/zinc/16/90/08/948169008.db2.gz KGFPQXORSQVCCY-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573679906 948170109 /nfs/dbraw/zinc/17/01/09/948170109.db2.gz KGFPQXORSQVCCY-STQMWFEESA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573679986 948171401 /nfs/dbraw/zinc/17/14/01/948171401.db2.gz KZJFIBNQASQMNX-CMPLNLGQSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573679988 948171126 /nfs/dbraw/zinc/17/11/26/948171126.db2.gz KZJFIBNQASQMNX-JQWIXIFHSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573679991 948170751 /nfs/dbraw/zinc/17/07/51/948170751.db2.gz KZJFIBNQASQMNX-PWSUYJOCSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573679993 948171394 /nfs/dbraw/zinc/17/13/94/948171394.db2.gz KZJFIBNQASQMNX-ZYHUDNBSSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573680050 948170738 /nfs/dbraw/zinc/17/07/38/948170738.db2.gz LPODCLNSWFCRLA-NXEZZACHSA-N 1 0 377.434 -0.652 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573680051 948170980 /nfs/dbraw/zinc/17/09/80/948170980.db2.gz LPODCLNSWFCRLA-UWVGGRQHSA-N 1 0 377.434 -0.652 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573680052 948171756 /nfs/dbraw/zinc/17/17/56/948171756.db2.gz LPODCLNSWFCRLA-VHSXEESVSA-N 1 0 377.434 -0.652 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573680053 948171291 /nfs/dbraw/zinc/17/12/91/948171291.db2.gz LPODCLNSWFCRLA-ZJUUUORDSA-N 1 0 377.434 -0.652 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573680148 948173631 /nfs/dbraw/zinc/17/36/31/948173631.db2.gz METWRYGBTURRNA-CMPLNLGQSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573680149 948173734 /nfs/dbraw/zinc/17/37/34/948173734.db2.gz METWRYGBTURRNA-JQWIXIFHSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573680150 948173136 /nfs/dbraw/zinc/17/31/36/948173136.db2.gz METWRYGBTURRNA-PWSUYJOCSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573680151 948173278 /nfs/dbraw/zinc/17/32/78/948173278.db2.gz METWRYGBTURRNA-ZYHUDNBSSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573680521 948183014 /nfs/dbraw/zinc/18/30/14/948183014.db2.gz OHSBNNROBMTBLZ-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573680523 948182344 /nfs/dbraw/zinc/18/23/44/948182344.db2.gz OHSBNNROBMTBLZ-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573680525 948181973 /nfs/dbraw/zinc/18/19/73/948181973.db2.gz OHSBNNROBMTBLZ-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573680527 948181642 /nfs/dbraw/zinc/18/16/42/948181642.db2.gz OHSBNNROBMTBLZ-STQMWFEESA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573680892 948190614 /nfs/dbraw/zinc/19/06/14/948190614.db2.gz RILIWDYDXHMISY-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573680893 948189947 /nfs/dbraw/zinc/18/99/47/948189947.db2.gz RILIWDYDXHMISY-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573680894 948189343 /nfs/dbraw/zinc/18/93/43/948189343.db2.gz RILIWDYDXHMISY-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573680895 948189470 /nfs/dbraw/zinc/18/94/70/948189470.db2.gz RILIWDYDXHMISY-STQMWFEESA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573681956 948218868 /nfs/dbraw/zinc/21/88/68/948218868.db2.gz ZONYGSDMRVEAME-BLLLJJGKSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573681957 948218397 /nfs/dbraw/zinc/21/83/97/948218397.db2.gz ZONYGSDMRVEAME-LRDDRELGSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573681958 948219003 /nfs/dbraw/zinc/21/90/03/948219003.db2.gz ZONYGSDMRVEAME-MLGOLLRUSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573681959 948218142 /nfs/dbraw/zinc/21/81/42/948218142.db2.gz ZONYGSDMRVEAME-WBMJQRKESA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573682002 948219089 /nfs/dbraw/zinc/21/90/89/948219089.db2.gz ZXDJOJVCKWZUQE-BLLLJJGKSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573682003 948219437 /nfs/dbraw/zinc/21/94/37/948219437.db2.gz ZXDJOJVCKWZUQE-LRDDRELGSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573682004 948219066 /nfs/dbraw/zinc/21/90/66/948219066.db2.gz ZXDJOJVCKWZUQE-MLGOLLRUSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573682005 948218096 /nfs/dbraw/zinc/21/80/96/948218096.db2.gz ZXDJOJVCKWZUQE-WBMJQRKESA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690306 948226108 /nfs/dbraw/zinc/22/61/08/948226108.db2.gz CVCUFMRRBHEHKE-GWCFXTLKSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690307 948225227 /nfs/dbraw/zinc/22/52/27/948225227.db2.gz CVCUFMRRBHEHKE-GXFFZTMASA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690308 948224916 /nfs/dbraw/zinc/22/49/16/948224916.db2.gz CVCUFMRRBHEHKE-MFKMUULPSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001573690309 948225949 /nfs/dbraw/zinc/22/59/49/948225949.db2.gz CVCUFMRRBHEHKE-ZWNOBZJWSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573690534 948226196 /nfs/dbraw/zinc/22/61/96/948226196.db2.gz DDPJRNMGDQVKPF-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573690535 948225086 /nfs/dbraw/zinc/22/50/86/948225086.db2.gz DDPJRNMGDQVKPF-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573690536 948225377 /nfs/dbraw/zinc/22/53/77/948225377.db2.gz DDPJRNMGDQVKPF-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573690537 948226058 /nfs/dbraw/zinc/22/60/58/948226058.db2.gz DDPJRNMGDQVKPF-STQMWFEESA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573690896 948232711 /nfs/dbraw/zinc/23/27/11/948232711.db2.gz GNFBXALIZRFVOO-GHMZBOCLSA-N 1 0 376.446 -0.047 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573690897 948233250 /nfs/dbraw/zinc/23/32/50/948233250.db2.gz GNFBXALIZRFVOO-MNOVXSKESA-N 1 0 376.446 -0.047 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573690898 948232598 /nfs/dbraw/zinc/23/25/98/948232598.db2.gz GNFBXALIZRFVOO-QWRGUYRKSA-N 1 0 376.446 -0.047 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573690899 948232546 /nfs/dbraw/zinc/23/25/46/948232546.db2.gz GNFBXALIZRFVOO-WDEREUQCSA-N 1 0 376.446 -0.047 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573691834 948248332 /nfs/dbraw/zinc/24/83/32/948248332.db2.gz KEQKAWGSXUEREK-DOMZBBRYSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573691835 948247763 /nfs/dbraw/zinc/24/77/63/948247763.db2.gz KEQKAWGSXUEREK-IUODEOHRSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573691837 948247083 /nfs/dbraw/zinc/24/70/83/948247083.db2.gz KEQKAWGSXUEREK-SWLSCSKDSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573691838 948247843 /nfs/dbraw/zinc/24/78/43/948247843.db2.gz KEQKAWGSXUEREK-WFASDCNBSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)S(C)(=O)=O ZINC001573693391 948281867 /nfs/dbraw/zinc/28/18/67/948281867.db2.gz XDZCGWMRSSIBGI-JTQLQIEISA-N 1 0 379.446 -0.433 20 0 GBADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)S(C)(=O)=O ZINC001573693393 948282643 /nfs/dbraw/zinc/28/26/43/948282643.db2.gz XDZCGWMRSSIBGI-SNVBAGLBSA-N 1 0 379.446 -0.433 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573693785 948287477 /nfs/dbraw/zinc/28/74/77/948287477.db2.gz UBEVJHURJQKWQX-CMPLNLGQSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573693787 948286414 /nfs/dbraw/zinc/28/64/14/948286414.db2.gz UBEVJHURJQKWQX-JQWIXIFHSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573693789 948286259 /nfs/dbraw/zinc/28/62/59/948286259.db2.gz UBEVJHURJQKWQX-PWSUYJOCSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cncn1 ZINC001573693791 948287398 /nfs/dbraw/zinc/28/73/98/948287398.db2.gz UBEVJHURJQKWQX-ZYHUDNBSSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573693845 948289126 /nfs/dbraw/zinc/28/91/26/948289126.db2.gz UOETUMVFXWPSMX-BLLLJJGKSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573693847 948289482 /nfs/dbraw/zinc/28/94/82/948289482.db2.gz UOETUMVFXWPSMX-LRDDRELGSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573693848 948290117 /nfs/dbraw/zinc/29/01/17/948290117.db2.gz UOETUMVFXWPSMX-MLGOLLRUSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573693850 948290338 /nfs/dbraw/zinc/29/03/38/948290338.db2.gz UOETUMVFXWPSMX-WBMJQRKESA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573693903 948290974 /nfs/dbraw/zinc/29/09/74/948290974.db2.gz VEWRSAUFPLLPDN-BLLLJJGKSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573693905 948292434 /nfs/dbraw/zinc/29/24/34/948292434.db2.gz VEWRSAUFPLLPDN-LRDDRELGSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573693907 948291801 /nfs/dbraw/zinc/29/18/01/948291801.db2.gz VEWRSAUFPLLPDN-MLGOLLRUSA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573693909 948291030 /nfs/dbraw/zinc/29/10/30/948291030.db2.gz VEWRSAUFPLLPDN-WBMJQRKESA-N 1 0 384.444 -0.029 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573694935 948301329 /nfs/dbraw/zinc/30/13/29/948301329.db2.gz WLIJKUNHTRHWOK-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573694936 948300453 /nfs/dbraw/zinc/30/04/53/948300453.db2.gz WLIJKUNHTRHWOK-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573694937 948301515 /nfs/dbraw/zinc/30/15/15/948301515.db2.gz WLIJKUNHTRHWOK-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573694938 948301420 /nfs/dbraw/zinc/30/14/20/948301420.db2.gz WLIJKUNHTRHWOK-STQMWFEESA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cncn1 ZINC001573695132 948300799 /nfs/dbraw/zinc/30/07/99/948300799.db2.gz WYVAJCLGQZTUOV-GWCFXTLKSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cncn1 ZINC001573695136 948300268 /nfs/dbraw/zinc/30/02/68/948300268.db2.gz WYVAJCLGQZTUOV-GXFFZTMASA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cncn1 ZINC001573695140 948300695 /nfs/dbraw/zinc/30/06/95/948300695.db2.gz WYVAJCLGQZTUOV-MFKMUULPSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cncn1 ZINC001573695143 948300298 /nfs/dbraw/zinc/30/02/98/948300298.db2.gz WYVAJCLGQZTUOV-ZWNOBZJWSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573695598 948306403 /nfs/dbraw/zinc/30/64/03/948306403.db2.gz XVMFAZVXKDCUJC-CMPLNLGQSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573695599 948307381 /nfs/dbraw/zinc/30/73/81/948307381.db2.gz XVMFAZVXKDCUJC-JQWIXIFHSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573695600 948306673 /nfs/dbraw/zinc/30/66/73/948306673.db2.gz XVMFAZVXKDCUJC-PWSUYJOCSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cncn1 ZINC001573695601 948307739 /nfs/dbraw/zinc/30/77/39/948307739.db2.gz XVMFAZVXKDCUJC-ZYHUDNBSSA-N 1 0 389.395 -0.575 20 0 GBADRO C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573695671 948309853 /nfs/dbraw/zinc/30/98/53/948309853.db2.gz YJZVMCICLNNFHQ-CHWSQXEVSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573695673 948308736 /nfs/dbraw/zinc/30/87/36/948308736.db2.gz YJZVMCICLNNFHQ-OLZOCXBDSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573695674 948309697 /nfs/dbraw/zinc/30/96/97/948309697.db2.gz YJZVMCICLNNFHQ-QWHCGFSZSA-N 1 0 389.464 -0.190 20 0 GBADRO C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573695676 948309737 /nfs/dbraw/zinc/30/97/37/948309737.db2.gz 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20 0 GBADRO C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)n1cncn1 ZINC001573696694 948332169 /nfs/dbraw/zinc/33/21/69/948332169.db2.gz VVYAKNGMPPCICJ-OXHZDVMGSA-N 1 0 380.416 -0.087 20 0 GBADRO C[C@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573704464 948373575 /nfs/dbraw/zinc/37/35/75/948373575.db2.gz SOROSYCBLUBIEX-KPPDAEKUSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573704465 948374921 /nfs/dbraw/zinc/37/49/21/948374921.db2.gz SOROSYCBLUBIEX-WHXUTIOJSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573705287 948395258 /nfs/dbraw/zinc/39/52/58/948395258.db2.gz HBAODGAPVBAERA-GHMZBOCLSA-N 1 0 379.446 -0.363 20 0 GBADRO C[C@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573705289 948395274 /nfs/dbraw/zinc/39/52/74/948395274.db2.gz HBAODGAPVBAERA-MNOVXSKESA-N 1 0 379.446 -0.363 20 0 GBADRO C[C@@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573705291 948396063 /nfs/dbraw/zinc/39/60/63/948396063.db2.gz HBAODGAPVBAERA-QWRGUYRKSA-N 1 0 379.446 -0.363 20 0 GBADRO C[C@@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573705293 948395141 /nfs/dbraw/zinc/39/51/41/948395141.db2.gz HBAODGAPVBAERA-WDEREUQCSA-N 1 0 379.446 -0.363 20 0 GBADRO C[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N1C(=O)CCC1=O ZINC001573719186 948523144 /nfs/dbraw/zinc/52/31/44/948523144.db2.gz KTEMGKZKOCKDLM-JTQLQIEISA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N1C(=O)CCC1=O ZINC001573719187 948522858 /nfs/dbraw/zinc/52/28/58/948522858.db2.gz KTEMGKZKOCKDLM-SNVBAGLBSA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N1C(=O)CCC1=O ZINC001573720741 948536459 /nfs/dbraw/zinc/53/64/59/948536459.db2.gz SOMHRXJRXBGDFZ-JTQLQIEISA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@H](C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N1C(=O)CCC1=O ZINC001573720887 948536828 /nfs/dbraw/zinc/53/68/28/948536828.db2.gz SOMHRXJRXBGDFZ-SNVBAGLBSA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001573729010 948563227 /nfs/dbraw/zinc/56/32/27/948563227.db2.gz SCSQKLKGQYFSKO-CIQGVGRVSA-N 1 0 384.444 -0.095 20 0 GBADRO C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729012 948566399 /nfs/dbraw/zinc/56/63/99/948566399.db2.gz SCSQKLKGQYFSKO-FMSGJZPZSA-N 1 0 384.444 -0.095 20 0 GBADRO C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573729013 948565217 /nfs/dbraw/zinc/56/52/17/948565217.db2.gz SCSQKLKGQYFSKO-NMKXLXIOSA-N 1 0 384.444 -0.095 20 0 GBADRO C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001573729015 948565829 /nfs/dbraw/zinc/56/58/29/948565829.db2.gz SCSQKLKGQYFSKO-NRWUCQMLSA-N 1 0 384.444 -0.095 20 0 GBADRO 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C[C@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001573745924 948675661 /nfs/dbraw/zinc/67/56/61/948675661.db2.gz GVTSTLLVXFBNOK-ZJQBRPOHSA-N 1 0 384.444 -0.095 20 0 GBADRO C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573749492 948700834 /nfs/dbraw/zinc/70/08/34/948700834.db2.gz ZVHPCAXFRPEIKZ-DCAQKATOSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@H](C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573749493 948701502 /nfs/dbraw/zinc/70/15/02/948701502.db2.gz ZVHPCAXFRPEIKZ-GMTAPVOTSA-N 1 0 379.446 -0.577 20 0 GBADRO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CCO2 ZINC001573754026 948724185 /nfs/dbraw/zinc/72/41/85/948724185.db2.gz AZLLCRSVMYJRNZ-LLVKDONJSA-N 1 0 388.432 -0.624 20 0 GBADRO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CCO2 ZINC001573754027 948725588 /nfs/dbraw/zinc/72/55/88/948725588.db2.gz AZLLCRSVMYJRNZ-NSHDSACASA-N 1 0 388.432 -0.624 20 0 GBADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755794 948782757 /nfs/dbraw/zinc/78/27/57/948782757.db2.gz IPDCZQCVENZSJF-GJXHKJHSSA-N 1 0 382.428 -0.273 20 0 GBADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001573755795 948784090 /nfs/dbraw/zinc/78/40/90/948784090.db2.gz IPDCZQCVENZSJF-HMXKMONRSA-N 1 0 382.428 -0.273 20 0 GBADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755796 948783401 /nfs/dbraw/zinc/78/34/01/948783401.db2.gz IPDCZQCVENZSJF-SXBWXJKFSA-N 1 0 382.428 -0.273 20 0 GBADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001573755797 948781784 /nfs/dbraw/zinc/78/17/84/948781784.db2.gz IPDCZQCVENZSJF-VMOJWTJYSA-N 1 0 382.428 -0.273 20 0 GBADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)S(C)(=O)=O ZINC001573756392 948814036 /nfs/dbraw/zinc/81/40/36/948814036.db2.gz QLCXPZMOOAPDPI-GOONRYMUSA-N 1 0 377.430 -0.754 20 0 GBADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)S(C)(=O)=O ZINC001573756393 948813916 /nfs/dbraw/zinc/81/39/16/948813916.db2.gz QLCXPZMOOAPDPI-MVVXRAEJSA-N 1 0 377.430 -0.754 20 0 GBADRO CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001573761954 948848222 /nfs/dbraw/zinc/84/82/22/948848222.db2.gz MYNKTECNAWHBJT-UHFFFAOYSA-N 1 0 389.464 -0.236 20 0 GBADRO CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001573762278 948853792 /nfs/dbraw/zinc/85/37/92/948853792.db2.gz RKFWGBJETQPPBU-UHFFFAOYSA-N 1 0 389.464 -0.236 20 0 GBADRO CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573762315 948854244 /nfs/dbraw/zinc/85/42/44/948854244.db2.gz SRYXTNJNNFCCQO-UHFFFAOYSA-N 1 0 389.464 -0.236 20 0 GBADRO CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573762705 948859299 /nfs/dbraw/zinc/85/92/99/948859299.db2.gz YSVGQYOVWPYYCS-UHFFFAOYSA-N 1 0 389.464 -0.236 20 0 GBADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573765218 948902655 /nfs/dbraw/zinc/90/26/55/948902655.db2.gz WWQPHTXPPBOSPT-JTQLQIEISA-N 1 0 379.446 -0.480 20 0 GBADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573765219 948903285 /nfs/dbraw/zinc/90/32/85/948903285.db2.gz WWQPHTXPPBOSPT-SNVBAGLBSA-N 1 0 379.446 -0.480 20 0 GBADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)N1CCOCC1 ZINC001573765248 948900818 /nfs/dbraw/zinc/90/08/18/948900818.db2.gz XLSPNIMHXSGKPU-CYBMUJFWSA-N 1 0 386.460 -0.193 20 0 GBADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)N1CCOCC1 ZINC001573765249 948903610 /nfs/dbraw/zinc/90/36/10/948903610.db2.gz XLSPNIMHXSGKPU-ZDUSSCGKSA-N 1 0 386.460 -0.193 20 0 GBADRO CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573771920 948949647 /nfs/dbraw/zinc/94/96/47/948949647.db2.gz OIVOQUPMIKATDS-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573771921 948949603 /nfs/dbraw/zinc/94/96/03/948949603.db2.gz OIVOQUPMIKATDS-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772365 948959063 /nfs/dbraw/zinc/95/90/63/948959063.db2.gz AWOOQBJIWVKOJX-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772366 948958086 /nfs/dbraw/zinc/95/80/86/948958086.db2.gz AWOOQBJIWVKOJX-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772526 948962032 /nfs/dbraw/zinc/96/20/32/948962032.db2.gz UHWBLMFXEREMSH-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573772527 948962707 /nfs/dbraw/zinc/96/27/07/948962707.db2.gz UHWBLMFXEREMSH-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573772766 948967681 /nfs/dbraw/zinc/96/76/81/948967681.db2.gz DRJVBTNRILTRLF-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573772767 948968576 /nfs/dbraw/zinc/96/85/76/948968576.db2.gz DRJVBTNRILTRLF-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573773406 948984580 /nfs/dbraw/zinc/98/45/80/948984580.db2.gz AYYCVAOVTWVUIX-CYBMUJFWSA-N 1 0 382.428 -0.055 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573773407 948983424 /nfs/dbraw/zinc/98/34/24/948983424.db2.gz AYYCVAOVTWVUIX-ZDUSSCGKSA-N 1 0 382.428 -0.055 20 0 GBADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)N1CCOCC1 ZINC001573773424 948983691 /nfs/dbraw/zinc/98/36/91/948983691.db2.gz BNNQBDAUBUOQAC-UHFFFAOYSA-N 1 0 386.460 -0.145 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001573773748 948992916 /nfs/dbraw/zinc/99/29/16/948992916.db2.gz GSBRBCQLLXRADS-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001573773749 948992007 /nfs/dbraw/zinc/99/20/07/948992007.db2.gz GSBRBCQLLXRADS-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCC1 ZINC001573773973 948994023 /nfs/dbraw/zinc/99/40/23/948994023.db2.gz HGKNFUGWHPPSEA-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCC1 ZINC001573773974 948996434 /nfs/dbraw/zinc/99/64/34/948996434.db2.gz HGKNFUGWHPPSEA-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001573774048 948996476 /nfs/dbraw/zinc/99/64/76/948996476.db2.gz JDZBCCCXNZJWAO-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001573774050 948996581 /nfs/dbraw/zinc/99/65/81/948996581.db2.gz JDZBCCCXNZJWAO-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573774072 948999999 /nfs/dbraw/zinc/99/99/99/948999999.db2.gz JVPXXUFQHPWVSK-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573774074 948999688 /nfs/dbraw/zinc/99/96/88/948999688.db2.gz JVPXXUFQHPWVSK-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573774080 948999421 /nfs/dbraw/zinc/99/94/21/948999421.db2.gz JWWGSSNXNLLHCA-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573774082 949001035 /nfs/dbraw/zinc/00/10/35/949001035.db2.gz JWWGSSNXNLLHCA-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573774276 949003377 /nfs/dbraw/zinc/00/33/77/949003377.db2.gz LKQGWFXMISNQEJ-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573774277 949005273 /nfs/dbraw/zinc/00/52/73/949005273.db2.gz LKQGWFXMISNQEJ-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC001573774361 949006860 /nfs/dbraw/zinc/00/68/60/949006860.db2.gz NDZFSDZSBMSNGC-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC001573774363 949010150 /nfs/dbraw/zinc/01/01/50/949010150.db2.gz NDZFSDZSBMSNGC-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573774395 949009047 /nfs/dbraw/zinc/00/90/47/949009047.db2.gz NSGKZSCXXBINJA-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573774397 949009794 /nfs/dbraw/zinc/00/97/94/949009794.db2.gz NSGKZSCXXBINJA-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001573774476 949006962 /nfs/dbraw/zinc/00/69/62/949006962.db2.gz SFMGMQLKDHFHAP-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001573774477 949010101 /nfs/dbraw/zinc/01/01/01/949010101.db2.gz SFMGMQLKDHFHAP-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCC1 ZINC001573774497 949011956 /nfs/dbraw/zinc/01/19/56/949011956.db2.gz SRNHDWMMXPVCGN-LLVKDONJSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCC1 ZINC001573774498 949011783 /nfs/dbraw/zinc/01/17/83/949011783.db2.gz SRNHDWMMXPVCGN-NSHDSACASA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC001573774504 949013019 /nfs/dbraw/zinc/01/30/19/949013019.db2.gz SZCZJFHHTMRNRE-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCC1 ZINC001573774505 949011674 /nfs/dbraw/zinc/01/16/74/949011674.db2.gz SZCZJFHHTMRNRE-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573774575 949017936 /nfs/dbraw/zinc/01/79/36/949017936.db2.gz OEXDRXUPWYCBOP-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC001573774576 949014993 /nfs/dbraw/zinc/01/49/93/949014993.db2.gz OEXDRXUPWYCBOP-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573774606 949017109 /nfs/dbraw/zinc/01/71/09/949017109.db2.gz OWLIBFQHGHOCKH-CYBMUJFWSA-N 1 0 382.428 -0.055 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573774607 949017496 /nfs/dbraw/zinc/01/74/96/949017496.db2.gz OWLIBFQHGHOCKH-ZDUSSCGKSA-N 1 0 382.428 -0.055 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCC1 ZINC001573774966 949026447 /nfs/dbraw/zinc/02/64/47/949026447.db2.gz QICMSBQNUVKXCD-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCC1 ZINC001573774967 949027429 /nfs/dbraw/zinc/02/74/29/949027429.db2.gz QICMSBQNUVKXCD-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC001573774980 949028101 /nfs/dbraw/zinc/02/81/01/949028101.db2.gz QZNRMWKDSPTMAC-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC001573774981 949024614 /nfs/dbraw/zinc/02/46/14/949024614.db2.gz QZNRMWKDSPTMAC-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC001573775226 949034843 /nfs/dbraw/zinc/03/48/43/949034843.db2.gz UDWPZBAQLGPYLL-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC001573775227 949034687 /nfs/dbraw/zinc/03/46/87/949034687.db2.gz UDWPZBAQLGPYLL-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573775245 949033459 /nfs/dbraw/zinc/03/34/59/949033459.db2.gz UVBJMEVRPXZTAQ-GFCCVEGCSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573775246 949036561 /nfs/dbraw/zinc/03/65/61/949036561.db2.gz UVBJMEVRPXZTAQ-LBPRGKRZSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001573775329 949038395 /nfs/dbraw/zinc/03/83/95/949038395.db2.gz WKXQRYHDTWRNJV-LLVKDONJSA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001573775331 949042178 /nfs/dbraw/zinc/04/21/78/949042178.db2.gz WKXQRYHDTWRNJV-NSHDSACASA-N 1 0 375.437 -0.580 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573775509 949042789 /nfs/dbraw/zinc/04/27/89/949042789.db2.gz YFWCHIWVTIYXLN-GFCCVEGCSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573775510 949044316 /nfs/dbraw/zinc/04/43/16/949044316.db2.gz YFWCHIWVTIYXLN-LBPRGKRZSA-N 1 0 389.464 -0.190 20 0 GBADRO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCC1 ZINC001573775661 949049299 /nfs/dbraw/zinc/04/92/99/949049299.db2.gz ZRMZWUUCHKRYBP-LLVKDONJSA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCC1 ZINC001573775662 949047354 /nfs/dbraw/zinc/04/73/54/949047354.db2.gz ZRMZWUUCHKRYBP-NSHDSACASA-N 1 0 390.448 -0.724 20 0 GBADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001573775675 949048138 /nfs/dbraw/zinc/04/81/38/949048138.db2.gz ZZCNRSRAZTYABR-UHFFFAOYSA-N 1 0 379.446 -0.433 20 0 GBADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)N1CCOCC1 ZINC001573786803 949149214 /nfs/dbraw/zinc/14/92/14/949149214.db2.gz BXZVNZILVIFXSL-BETUJISGSA-N 1 0 386.460 -0.147 20 0 GBADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)N1CCOCC1 ZINC001573786804 949148972 /nfs/dbraw/zinc/14/89/72/949148972.db2.gz BXZVNZILVIFXSL-JOCQHMNTSA-N 1 0 386.460 -0.147 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573786883 949153800 /nfs/dbraw/zinc/15/38/00/949153800.db2.gz BJTOFTUUHNTQHK-OLZOCXBDSA-N 1 0 387.448 -0.803 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573786892 949155064 /nfs/dbraw/zinc/15/50/64/949155064.db2.gz BXZQPGCVCRUHHF-NEPJUHHUSA-N 1 0 387.448 -0.803 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O)[NH+]1CCCC1 ZINC001573786919 949153231 /nfs/dbraw/zinc/15/32/31/949153231.db2.gz FTUMVQULXAAWCI-HUUCEWRRSA-N 1 0 386.460 -0.198 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787067 949161763 /nfs/dbraw/zinc/16/17/63/949161763.db2.gz LLNZUBBDNKDXKX-OLZOCXBDSA-N 1 0 387.448 -0.803 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787262 949171000 /nfs/dbraw/zinc/17/10/00/949171000.db2.gz UNZWHVWOKHTGTI-ZIAGYGMSSA-N 1 0 386.460 -0.198 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787380 949178722 /nfs/dbraw/zinc/17/87/22/949178722.db2.gz WFDWRZOODUYYMC-KGLIPLIRSA-N 1 0 386.460 -0.198 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787383 949179415 /nfs/dbraw/zinc/17/94/15/949179415.db2.gz WFDWRZOODUYYMC-ZIAGYGMSSA-N 1 0 386.460 -0.198 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787404 949178515 /nfs/dbraw/zinc/17/85/15/949178515.db2.gz XGHRQZSJQMCRAW-CHWSQXEVSA-N 1 0 387.448 -0.803 20 0 GBADRO CC(C)(C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787405 949179949 /nfs/dbraw/zinc/17/99/49/949179949.db2.gz XGHRQZSJQMCRAW-OLZOCXBDSA-N 1 0 387.448 -0.803 20 0 GBADRO CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)S(C)(=O)=O ZINC001573787606 949181554 /nfs/dbraw/zinc/18/15/54/949181554.db2.gz ZATBQQYISMZUCD-PJXYFTJBSA-N 1 0 391.457 -0.364 20 0 GBADRO CC(C)(C(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573788822 949215700 /nfs/dbraw/zinc/21/57/00/949215700.db2.gz YWBDGQAQUQBION-JTQLQIEISA-N 1 0 379.396 -0.916 20 0 GBADRO CC(C)(C(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573788823 949213380 /nfs/dbraw/zinc/21/33/80/949213380.db2.gz YWBDGQAQUQBION-SNVBAGLBSA-N 1 0 379.396 -0.916 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573800263 949391465 /nfs/dbraw/zinc/39/14/65/949391465.db2.gz VSXHKXWZCLOUQY-AWEZNQCLSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573800264 949390461 /nfs/dbraw/zinc/39/04/61/949390461.db2.gz VSXHKXWZCLOUQY-CQSZACIVSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573800273 949388098 /nfs/dbraw/zinc/38/80/98/949388098.db2.gz WCLBAXLZKQSOGT-UHFFFAOYSA-N 1 0 390.448 -0.921 20 0 GBADRO CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573801866 949408150 /nfs/dbraw/zinc/40/81/50/949408150.db2.gz AKYQXIMHHGICAN-LLVKDONJSA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573801874 949406608 /nfs/dbraw/zinc/40/66/08/949406608.db2.gz AKYQXIMHHGICAN-NSHDSACASA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573802565 949421704 /nfs/dbraw/zinc/42/17/04/949421704.db2.gz IVUODNGQAYEIFI-AWEZNQCLSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573802566 949420276 /nfs/dbraw/zinc/42/02/76/949420276.db2.gz IVUODNGQAYEIFI-CQSZACIVSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573803313 949437990 /nfs/dbraw/zinc/43/79/90/949437990.db2.gz MZINEARZVXPXGC-JYAVWHMHSA-N 1 0 384.444 -0.025 20 0 GBADRO CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573803566 949442208 /nfs/dbraw/zinc/44/22/08/949442208.db2.gz SAKBHPRMOHWAGG-LLVKDONJSA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573803568 949443354 /nfs/dbraw/zinc/44/33/54/949443354.db2.gz SAKBHPRMOHWAGG-NSHDSACASA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573804060 949462034 /nfs/dbraw/zinc/46/20/34/949462034.db2.gz SBTGEDVQONHFHQ-CYBMUJFWSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573804064 949464239 /nfs/dbraw/zinc/46/42/39/949464239.db2.gz SBTGEDVQONHFHQ-ZDUSSCGKSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573804329 949467325 /nfs/dbraw/zinc/46/73/25/949467325.db2.gz UOUKAOYDUNNYGB-CYBMUJFWSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573804330 949468708 /nfs/dbraw/zinc/46/87/08/949468708.db2.gz UOUKAOYDUNNYGB-ZDUSSCGKSA-N 1 0 389.460 -0.404 20 0 GBADRO CC(C)(C)[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811542 949600382 /nfs/dbraw/zinc/60/03/82/949600382.db2.gz LJHZOULCGSASIB-GFCCVEGCSA-N 1 0 383.478 -0.027 20 0 GBADRO CC(C)(C)[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811543 949599134 /nfs/dbraw/zinc/59/91/34/949599134.db2.gz LJHZOULCGSASIB-LBPRGKRZSA-N 1 0 383.478 -0.027 20 0 GBADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CS(C)(=O)=O ZINC001573818119 949719461 /nfs/dbraw/zinc/71/94/61/949719461.db2.gz GPMWTGRYSWGGFR-GFCCVEGCSA-N 1 0 381.462 -0.329 20 0 GBADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CS(C)(=O)=O ZINC001573818120 949718718 /nfs/dbraw/zinc/71/87/18/949718718.db2.gz GPMWTGRYSWGGFR-LBPRGKRZSA-N 1 0 381.462 -0.329 20 0 GBADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cnnn1 ZINC001573818135 949717136 /nfs/dbraw/zinc/71/71/36/949717136.db2.gz HACGCIQYIZSBLZ-CYBMUJFWSA-N 1 0 385.436 -0.297 20 0 GBADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cnnn1 ZINC001573818136 949718448 /nfs/dbraw/zinc/71/84/48/949718448.db2.gz HACGCIQYIZSBLZ-ZDUSSCGKSA-N 1 0 385.436 -0.297 20 0 GBADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1CCOCC1 ZINC001573820323 949764467 /nfs/dbraw/zinc/76/44/67/949764467.db2.gz XRKGSBDQJACBQN-HNNXBMFYSA-N 1 0 388.476 -0.041 20 0 GBADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1CCOCC1 ZINC001573820324 949762307 /nfs/dbraw/zinc/76/23/07/949762307.db2.gz XRKGSBDQJACBQN-OAHLLOKOSA-N 1 0 388.476 -0.041 20 0 GBADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573823327 949823179 /nfs/dbraw/zinc/82/31/79/949823179.db2.gz UYMSTPNYVQTWBF-GWCFXTLKSA-N 1 0 387.448 -0.221 20 0 GBADRO CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573823328 949825251 /nfs/dbraw/zinc/82/52/51/949825251.db2.gz UYMSTPNYVQTWBF-GXFFZTMASA-N 1 0 387.448 -0.221 20 0 GBADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573823329 949827633 /nfs/dbraw/zinc/82/76/33/949827633.db2.gz UYMSTPNYVQTWBF-MFKMUULPSA-N 1 0 387.448 -0.221 20 0 GBADRO CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573823330 949822853 /nfs/dbraw/zinc/82/28/53/949822853.db2.gz UYMSTPNYVQTWBF-ZWNOBZJWSA-N 1 0 387.448 -0.221 20 0 GBADRO CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573825169 949862380 /nfs/dbraw/zinc/86/23/80/949862380.db2.gz LJFXOMLQFVAJJO-GFCCVEGCSA-N 1 0 387.448 -0.173 20 0 GBADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573825170 949863846 /nfs/dbraw/zinc/86/38/46/949863846.db2.gz LJFXOMLQFVAJJO-LBPRGKRZSA-N 1 0 387.448 -0.173 20 0 GBADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573825516 949885544 /nfs/dbraw/zinc/88/55/44/949885544.db2.gz YRCGHGKPZRLQSL-CWSCBRNRSA-N 1 0 387.448 -0.174 20 0 GBADRO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573825517 949882669 /nfs/dbraw/zinc/88/26/69/949882669.db2.gz YRCGHGKPZRLQSL-GBIKHYSHSA-N 1 0 387.448 -0.174 20 0 GBADRO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573825518 949883552 /nfs/dbraw/zinc/88/35/52/949883552.db2.gz YRCGHGKPZRLQSL-GIPNMCIBSA-N 1 0 387.448 -0.174 20 0 GBADRO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573825519 949885232 /nfs/dbraw/zinc/88/52/32/949885232.db2.gz YRCGHGKPZRLQSL-KWBADKCTSA-N 1 0 387.448 -0.174 20 0 GBADRO CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573836713 950086553 /nfs/dbraw/zinc/08/65/53/950086553.db2.gz ONHOMCKUDQPSAN-LLVKDONJSA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573836714 950088402 /nfs/dbraw/zinc/08/84/02/950088402.db2.gz ONHOMCKUDQPSAN-NSHDSACASA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)CC(=O)NCC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573836830 950094446 /nfs/dbraw/zinc/09/44/46/950094446.db2.gz SFJISLMAWIVRPO-LLVKDONJSA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)CC(=O)NCC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573836831 950093324 /nfs/dbraw/zinc/09/33/24/950093324.db2.gz SFJISLMAWIVRPO-NSHDSACASA-N 1 0 390.448 -0.875 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573844096 950181110 /nfs/dbraw/zinc/18/11/10/950181110.db2.gz APJGOOVNHWSRTL-LLVKDONJSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573844097 950184731 /nfs/dbraw/zinc/18/47/31/950184731.db2.gz APJGOOVNHWSRTL-NSHDSACASA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573844618 950200325 /nfs/dbraw/zinc/20/03/25/950200325.db2.gz KTDHMKGRZIQRCT-GFCCVEGCSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573844619 950203336 /nfs/dbraw/zinc/20/33/36/950203336.db2.gz KTDHMKGRZIQRCT-LBPRGKRZSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573844625 950201028 /nfs/dbraw/zinc/20/10/28/950201028.db2.gz KVRZWXKHWJYFFT-LLVKDONJSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573844626 950204256 /nfs/dbraw/zinc/20/42/56/950204256.db2.gz KVRZWXKHWJYFFT-NSHDSACASA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573844917 950209613 /nfs/dbraw/zinc/20/96/13/950209613.db2.gz NJDWTTGAKKAMBR-GFCCVEGCSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573844918 950205438 /nfs/dbraw/zinc/20/54/38/950205438.db2.gz NJDWTTGAKKAMBR-LBPRGKRZSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573844949 950209276 /nfs/dbraw/zinc/20/92/76/950209276.db2.gz OQRONOSVCUGLMX-GFCCVEGCSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573844950 950205291 /nfs/dbraw/zinc/20/52/91/950205291.db2.gz OQRONOSVCUGLMX-LBPRGKRZSA-N 1 0 392.464 -0.573 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573845559 950233481 /nfs/dbraw/zinc/23/34/81/950233481.db2.gz GZIZFUSSPDTEPY-LLVKDONJSA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573845560 950232332 /nfs/dbraw/zinc/23/23/32/950232332.db2.gz GZIZFUSSPDTEPY-NSHDSACASA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573845730 950234435 /nfs/dbraw/zinc/23/44/35/950234435.db2.gz JWNFCDOCSLPRPJ-LLVKDONJSA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573845731 950237725 /nfs/dbraw/zinc/23/77/25/950237725.db2.gz JWNFCDOCSLPRPJ-NSHDSACASA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573846770 950256648 /nfs/dbraw/zinc/25/66/48/950256648.db2.gz VKNLYXFXVMDLIK-JTQLQIEISA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573846772 950256389 /nfs/dbraw/zinc/25/63/89/950256389.db2.gz VKNLYXFXVMDLIK-SNVBAGLBSA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573847060 950259822 /nfs/dbraw/zinc/25/98/22/950259822.db2.gz YXZVLNFNSAXAPF-JTQLQIEISA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573847061 950257430 /nfs/dbraw/zinc/25/74/30/950257430.db2.gz YXZVLNFNSAXAPF-SNVBAGLBSA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573847078 950258212 /nfs/dbraw/zinc/25/82/12/950258212.db2.gz ZQQFIWVPACOGCM-LLVKDONJSA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573847079 950258194 /nfs/dbraw/zinc/25/81/94/950258194.db2.gz ZQQFIWVPACOGCM-NSHDSACASA-N 1 0 378.437 -0.963 20 0 GBADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573849750 950261267 /nfs/dbraw/zinc/26/12/67/950261267.db2.gz AFDVPACLAWGWIY-UHFFFAOYSA-N 1 0 377.409 -0.862 20 0 GBADRO CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001573850117 950268277 /nfs/dbraw/zinc/26/82/77/950268277.db2.gz GDIUFTKSFIOINH-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001573850118 950268555 /nfs/dbraw/zinc/26/85/55/950268555.db2.gz GDIUFTKSFIOINH-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573851399 950294623 /nfs/dbraw/zinc/29/46/23/950294623.db2.gz XMMXHVREJGXZHU-UHFFFAOYSA-N 1 0 391.436 -0.471 20 0 GBADRO CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001573851421 950294972 /nfs/dbraw/zinc/29/49/72/950294972.db2.gz XTYCZLWWXACWKK-GFCCVEGCSA-N 1 0 390.448 -0.460 20 0 GBADRO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001573851422 950294349 /nfs/dbraw/zinc/29/43/49/950294349.db2.gz XTYCZLWWXACWKK-LBPRGKRZSA-N 1 0 390.448 -0.460 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855152 950357355 /nfs/dbraw/zinc/35/73/55/950357355.db2.gz JWTJRTKLHSGQPQ-GWCFXTLKSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855153 950357791 /nfs/dbraw/zinc/35/77/91/950357791.db2.gz JWTJRTKLHSGQPQ-GXFFZTMASA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855154 950355168 /nfs/dbraw/zinc/35/51/68/950355168.db2.gz JWTJRTKLHSGQPQ-MFKMUULPSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855155 950358266 /nfs/dbraw/zinc/35/82/66/950358266.db2.gz JWTJRTKLHSGQPQ-ZWNOBZJWSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001573855195 950358380 /nfs/dbraw/zinc/35/83/80/950358380.db2.gz LIEUQIZKVLCGNP-NEPJUHHUSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001573855196 950363701 /nfs/dbraw/zinc/36/37/01/950363701.db2.gz LIEUQIZKVLCGNP-NWDGAFQWSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001573855197 950360970 /nfs/dbraw/zinc/36/09/70/950360970.db2.gz LIEUQIZKVLCGNP-RYUDHWBXSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1=O ZINC001573855198 950360470 /nfs/dbraw/zinc/36/04/70/950360470.db2.gz LIEUQIZKVLCGNP-VXGBXAGGSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001573855360 950371056 /nfs/dbraw/zinc/37/10/56/950371056.db2.gz RORWLULQEZPZDN-NEPJUHHUSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001573855361 950372256 /nfs/dbraw/zinc/37/22/56/950372256.db2.gz RORWLULQEZPZDN-NWDGAFQWSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001573855362 950370777 /nfs/dbraw/zinc/37/07/77/950370777.db2.gz RORWLULQEZPZDN-RYUDHWBXSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O ZINC001573855363 950375062 /nfs/dbraw/zinc/37/50/62/950375062.db2.gz RORWLULQEZPZDN-VXGBXAGGSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855408 950373418 /nfs/dbraw/zinc/37/34/18/950373418.db2.gz TUTAIRNWLSFKFJ-GWCFXTLKSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855409 950370906 /nfs/dbraw/zinc/37/09/06/950370906.db2.gz TUTAIRNWLSFKFJ-GXFFZTMASA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855410 950374462 /nfs/dbraw/zinc/37/44/62/950374462.db2.gz TUTAIRNWLSFKFJ-MFKMUULPSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O ZINC001573855411 950371083 /nfs/dbraw/zinc/37/10/83/950371083.db2.gz TUTAIRNWLSFKFJ-ZWNOBZJWSA-N 1 0 390.448 -0.726 20 0 GBADRO CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)[nH]n1 ZINC001573880083 950741386 /nfs/dbraw/zinc/74/13/86/950741386.db2.gz RPJVQCYJIUILIS-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)[nH]n1 ZINC001573880084 950741205 /nfs/dbraw/zinc/74/12/05/950741205.db2.gz RPJVQCYJIUILIS-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)[nH]n1 ZINC001573880103 950739430 /nfs/dbraw/zinc/73/94/30/950739430.db2.gz SJWXVYFICOMAJU-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)[nH]n1 ZINC001573880104 950741353 /nfs/dbraw/zinc/74/13/53/950741353.db2.gz SJWXVYFICOMAJU-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573884163 950786608 /nfs/dbraw/zinc/78/66/08/950786608.db2.gz AIOKFPFANFYSTD-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573884165 950786434 /nfs/dbraw/zinc/78/64/34/950786434.db2.gz AIOKFPFANFYSTD-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885402 950824212 /nfs/dbraw/zinc/82/42/12/950824212.db2.gz QZMCNYODFIJLEB-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885403 950820216 /nfs/dbraw/zinc/82/02/16/950820216.db2.gz QZMCNYODFIJLEB-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885470 950826564 /nfs/dbraw/zinc/82/65/64/950826564.db2.gz XTJFIZNJALBTKI-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885471 950829261 /nfs/dbraw/zinc/82/92/61/950829261.db2.gz XTJFIZNJALBTKI-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885475 950829219 /nfs/dbraw/zinc/82/92/19/950829219.db2.gz XYMSXEYZHBWQFC-JTQLQIEISA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573885477 950825795 /nfs/dbraw/zinc/82/57/95/950825795.db2.gz XYMSXEYZHBWQFC-SNVBAGLBSA-N 1 0 385.432 -0.093 20 0 GBADRO CC(C)(C)n1nnc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001573893445 950885444 /nfs/dbraw/zinc/88/54/44/950885444.db2.gz GFWLKKBSIFBBET-UHFFFAOYSA-N 1 0 383.420 -0.200 20 0 GBADRO CC(C)(C)n1cnc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573893462 950882788 /nfs/dbraw/zinc/88/27/88/950882788.db2.gz HBDOCFBJYBIUEB-JTQLQIEISA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cnc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573893463 950886178 /nfs/dbraw/zinc/88/61/78/950886178.db2.gz HBDOCFBJYBIUEB-SNVBAGLBSA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573893504 950890239 /nfs/dbraw/zinc/89/02/39/950890239.db2.gz JBEPEBYHCXBLNR-JTQLQIEISA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573893505 950889472 /nfs/dbraw/zinc/88/94/72/950889472.db2.gz JBEPEBYHCXBLNR-SNVBAGLBSA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001573893699 950898417 /nfs/dbraw/zinc/89/84/17/950898417.db2.gz RQYMARHPOOGUCR-SNVBAGLBSA-N 1 0 383.420 -0.248 20 0 GBADRO CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001573893744 950897389 /nfs/dbraw/zinc/89/73/89/950897389.db2.gz UIYLIPMNEKTRNX-UHFFFAOYSA-N 1 0 387.452 -0.112 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573893883 950908720 /nfs/dbraw/zinc/90/87/20/950908720.db2.gz AITYFRCDTOKGCA-JTQLQIEISA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573893884 950907880 /nfs/dbraw/zinc/90/78/80/950907880.db2.gz AITYFRCDTOKGCA-SNVBAGLBSA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573894003 950918037 /nfs/dbraw/zinc/91/80/37/950918037.db2.gz IMODMMIARNXMAL-JTQLQIEISA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573894004 950920377 /nfs/dbraw/zinc/92/03/77/950920377.db2.gz IMODMMIARNXMAL-SNVBAGLBSA-N 1 0 386.420 -0.767 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573894139 950922817 /nfs/dbraw/zinc/92/28/17/950922817.db2.gz NIFXQSCHLZTRTG-GFCCVEGCSA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573894140 950923721 /nfs/dbraw/zinc/92/37/21/950923721.db2.gz NIFXQSCHLZTRTG-LBPRGKRZSA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573894141 950923432 /nfs/dbraw/zinc/92/34/32/950923432.db2.gz NKYIEZOPHAWQTC-LLVKDONJSA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001573894142 950923608 /nfs/dbraw/zinc/92/36/08/950923608.db2.gz NKYIEZOPHAWQTC-NSHDSACASA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573894532 950931815 /nfs/dbraw/zinc/93/18/15/950931815.db2.gz VEIUBXHBUJJWTL-GFCCVEGCSA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573894533 950934430 /nfs/dbraw/zinc/93/44/30/950934430.db2.gz VEIUBXHBUJJWTL-LBPRGKRZSA-N 1 0 385.432 -0.162 20 0 GBADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1CCOCC1 ZINC001574157402 950235571 /nfs/dbraw/zinc/23/55/71/950235571.db2.gz ANCBVUKGCLIXBV-AWEZNQCLSA-N 1 0 388.476 -0.041 20 0 GBADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CN1CCOCC1 ZINC001574157403 950235280 /nfs/dbraw/zinc/23/52/80/950235280.db2.gz ANCBVUKGCLIXBV-CQSZACIVSA-N 1 0 388.476 -0.041 20 0 GBADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574157466 950238116 /nfs/dbraw/zinc/23/81/16/950238116.db2.gz BSCWKBXYYADKEL-BXUZGUMPSA-N 1 0 387.448 -0.350 20 0 GBADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574157468 950235882 /nfs/dbraw/zinc/23/58/82/950235882.db2.gz BSCWKBXYYADKEL-FZMZJTMJSA-N 1 0 387.448 -0.350 20 0 GBADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574157469 950235338 /nfs/dbraw/zinc/23/53/38/950235338.db2.gz BSCWKBXYYADKEL-RISCZKNCSA-N 1 0 387.448 -0.350 20 0 GBADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574157470 950235910 /nfs/dbraw/zinc/23/59/10/950235910.db2.gz BSCWKBXYYADKEL-SMDDNHRTSA-N 1 0 387.448 -0.350 20 0 GBADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cnnn1 ZINC001574157997 950268436 /nfs/dbraw/zinc/26/84/36/950268436.db2.gz MOUBZWMEFTUFCF-GFCCVEGCSA-N 1 0 385.436 -0.297 20 0 GBADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cnnn1 ZINC001574157998 950270132 /nfs/dbraw/zinc/27/01/32/950270132.db2.gz MOUBZWMEFTUFCF-LBPRGKRZSA-N 1 0 385.436 -0.297 20 0 GBADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574158745 950288252 /nfs/dbraw/zinc/28/82/52/950288252.db2.gz RVCAGUXRNPHWIG-QWRGUYRKSA-N 1 0 375.437 -0.317 20 0 GBADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574158746 950286442 /nfs/dbraw/zinc/28/64/42/950286442.db2.gz RVCAGUXRNPHWIG-WDEREUQCSA-N 1 0 375.437 -0.317 20 0 GBADRO CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433310 948952009 /nfs/dbraw/zinc/95/20/09/948952009.db2.gz TUJMXAXOUSWBOG-LLVKDONJSA-N 1 0 383.416 -0.200 20 0 GBADRO CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433311 948952239 /nfs/dbraw/zinc/95/22/39/948952239.db2.gz TUJMXAXOUSWBOG-NSHDSACASA-N 1 0 383.416 -0.200 20 0 GBADRO CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433614 948960751 /nfs/dbraw/zinc/96/07/51/948960751.db2.gz ZBLIAXVNYIVSGB-LLVKDONJSA-N 1 0 383.416 -0.200 20 0 GBADRO CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433615 948960102 /nfs/dbraw/zinc/96/01/02/948960102.db2.gz ZBLIAXVNYIVSGB-NSHDSACASA-N 1 0 383.416 -0.200 20 0 GBADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433815 948962338 /nfs/dbraw/zinc/96/23/38/948962338.db2.gz RGYGVYQILKVQIV-LLVKDONJSA-N 1 0 385.432 -0.257 20 0 GBADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433816 948965127 /nfs/dbraw/zinc/96/51/27/948965127.db2.gz RGYGVYQILKVQIV-NSHDSACASA-N 1 0 385.432 -0.257 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433959 948969741 /nfs/dbraw/zinc/96/97/41/948969741.db2.gz AHCOMBAEOPGTIG-UHFFFAOYSA-N 1 0 385.436 -0.034 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434039 948974346 /nfs/dbraw/zinc/97/43/46/948974346.db2.gz DLPITSHJOOIEQC-GHMZBOCLSA-N 1 0 385.436 -0.201 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434040 948974255 /nfs/dbraw/zinc/97/42/55/948974255.db2.gz DLPITSHJOOIEQC-MNOVXSKESA-N 1 0 385.436 -0.201 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434041 948974196 /nfs/dbraw/zinc/97/41/96/948974196.db2.gz DLPITSHJOOIEQC-QWRGUYRKSA-N 1 0 385.436 -0.201 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434042 948974914 /nfs/dbraw/zinc/97/49/14/948974914.db2.gz DLPITSHJOOIEQC-WDEREUQCSA-N 1 0 385.436 -0.201 20 0 GBADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434187 948975821 /nfs/dbraw/zinc/97/58/21/948975821.db2.gz YYQAVVLNVJBZOU-LLVKDONJSA-N 1 0 385.432 -0.257 20 0 GBADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434188 948976908 /nfs/dbraw/zinc/97/69/08/948976908.db2.gz YYQAVVLNVJBZOU-NSHDSACASA-N 1 0 385.432 -0.257 20 0 GBADRO CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434353 948981526 /nfs/dbraw/zinc/98/15/26/948981526.db2.gz IDEXBSVNBHVLTL-NSHDSACASA-N 1 0 385.436 -0.200 20 0 GBADRO CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574434561 948982944 /nfs/dbraw/zinc/98/29/44/948982944.db2.gz JTSKMXZFVKFELN-LLVKDONJSA-N 1 0 383.420 -0.494 20 0 GBADRO CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574434562 948985465 /nfs/dbraw/zinc/98/54/65/948985465.db2.gz JTSKMXZFVKFELN-NSHDSACASA-N 1 0 383.420 -0.494 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434568 948983057 /nfs/dbraw/zinc/98/30/57/948983057.db2.gz KCAHQXVKAMUAPH-UHFFFAOYSA-N 1 0 385.436 -0.246 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434617 948983773 /nfs/dbraw/zinc/98/37/73/948983773.db2.gz LBWKCCBGPYBNQP-LLVKDONJSA-N 1 0 385.436 -0.248 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574434618 948982877 /nfs/dbraw/zinc/98/28/77/948982877.db2.gz LBWKCCBGPYBNQP-NSHDSACASA-N 1 0 385.436 -0.248 20 0 GBADRO CC(C)c1nnnn1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574435028 948991945 /nfs/dbraw/zinc/99/19/45/948991945.db2.gz PVBCVCLZGRVGTH-UHFFFAOYSA-N 1 0 383.420 -0.446 20 0 GBADRO CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574439597 949010377 /nfs/dbraw/zinc/01/03/77/949010377.db2.gz HZSQXZYJCVYDAN-SECBINFHSA-N 1 0 389.445 -0.139 20 0 GBADRO CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574439599 949013995 /nfs/dbraw/zinc/01/39/95/949013995.db2.gz HZSQXZYJCVYDAN-VIFPVBQESA-N 1 0 389.445 -0.139 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574439793 949013205 /nfs/dbraw/zinc/01/32/05/949013205.db2.gz IPBRDGBPGZATKN-PHIMTYICSA-N 1 0 383.420 -0.447 20 0 GBADRO CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574439794 949011077 /nfs/dbraw/zinc/01/10/77/949011077.db2.gz IPBRDGBPGZATKN-XYPYZODXSA-N 1 0 383.420 -0.447 20 0 GBADRO CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574459389 949354798 /nfs/dbraw/zinc/35/47/98/949354798.db2.gz DMZKBAVPLWMIOR-CYBMUJFWSA-N 1 0 385.432 -0.407 20 0 GBADRO CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574459390 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DHLUYUBWBLPGRK-YPMHNXCESA-N 1 0 385.432 -0.500 20 0 GBADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)NC(N)=O ZINC001574498280 950269461 /nfs/dbraw/zinc/26/94/61/950269461.db2.gz LWIVFOUFQURXDO-LLVKDONJSA-N 1 0 387.448 -0.029 20 0 GBADRO C[C@@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)NC(N)=O ZINC001574498282 950272119 /nfs/dbraw/zinc/27/21/19/950272119.db2.gz LWIVFOUFQURXDO-NSHDSACASA-N 1 0 387.448 -0.029 20 0 GBADRO C[C@H](CC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574502231 950361840 /nfs/dbraw/zinc/36/18/40/950361840.db2.gz KVSAARKYDFDIPD-LLVKDONJSA-N 1 0 387.448 -0.171 20 0 GBADRO C[C@@H](CC(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574502232 950367151 /nfs/dbraw/zinc/36/71/51/950367151.db2.gz KVSAARKYDFDIPD-NSHDSACASA-N 1 0 387.448 -0.171 20 0 GBADRO C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574506394 950430891 /nfs/dbraw/zinc/43/08/91/950430891.db2.gz CHSARWVZQVRREP-GRYCIOLGSA-N 1 0 387.448 -0.173 20 0 GBADRO C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574506395 950434181 /nfs/dbraw/zinc/43/41/81/950434181.db2.gz CHSARWVZQVRREP-SDDRHHMPSA-N 1 0 387.448 -0.173 20 0 GBADRO C[C@@H](CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)NC(N)=O ZINC001574509525 950513608 /nfs/dbraw/zinc/51/36/08/950513608.db2.gz WPIPMAVMXLFNQS-GRYCIOLGSA-N 1 0 387.448 -0.103 20 0 GBADRO C[C@H](CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)NC(N)=O ZINC001574509526 950517012 /nfs/dbraw/zinc/51/70/12/950517012.db2.gz WPIPMAVMXLFNQS-IJLUTSLNSA-N 1 0 387.448 -0.103 20 0 GBADRO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574511421 950562303 /nfs/dbraw/zinc/56/23/03/950562303.db2.gz KWYGBTKRBGXHGC-LERXQTSPSA-N 1 0 387.448 -0.030 20 0 GBADRO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)NC(N)=O ZINC001574511422 950560665 /nfs/dbraw/zinc/56/06/65/950560665.db2.gz KWYGBTKRBGXHGC-ZLKJLUDKSA-N 1 0 387.448 -0.030 20 0 GBADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)NC(N)=O ZINC001574515262 950628736 /nfs/dbraw/zinc/62/87/36/950628736.db2.gz CGDHBZFODOMYPA-GJTWSCIVSA-N 1 0 390.473 -0.079 20 0 GBADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)NC(N)=O ZINC001574515264 950629797 /nfs/dbraw/zinc/62/97/97/950629797.db2.gz CGDHBZFODOMYPA-HJUHTLPRSA-N 1 0 390.473 -0.079 20 0 GBADRO C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574517003 950643021 /nfs/dbraw/zinc/64/30/21/950643021.db2.gz KCRNQIJPSNYMFA-IJLUTSLNSA-N 1 0 387.448 -0.030 20 0 GBADRO C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574517004 950643086 /nfs/dbraw/zinc/64/30/86/950643086.db2.gz KCRNQIJPSNYMFA-SRVKXCTJSA-N 1 0 387.448 -0.030 20 0 GBADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)NC(N)=O ZINC001574517019 950641557 /nfs/dbraw/zinc/64/15/57/950641557.db2.gz KTRQHQOJPYSKDW-ADDUCUOXSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)NC(N)=O ZINC001574517020 950640851 /nfs/dbraw/zinc/64/08/51/950640851.db2.gz KTRQHQOJPYSKDW-YZOIGVHSSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)NC(N)=O ZINC001574518719 950661599 /nfs/dbraw/zinc/66/15/99/950661599.db2.gz QCYKSFVPIFDSEE-ADDUCUOXSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)NC(N)=O ZINC001574518720 950661081 /nfs/dbraw/zinc/66/10/81/950661081.db2.gz QCYKSFVPIFDSEE-YZOIGVHSSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574519700 950694447 /nfs/dbraw/zinc/69/44/47/950694447.db2.gz XQYWAIFXKVPPEH-ADDUCUOXSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)NC(N)=O ZINC001574519702 950694210 /nfs/dbraw/zinc/69/42/10/950694210.db2.gz XQYWAIFXKVPPEH-YZOIGVHSSA-N 1 0 384.444 -0.140 20 0 GBADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cnnn1 ZINC001574520940 950760064 /nfs/dbraw/zinc/76/00/64/950760064.db2.gz BJYFBSKVJGNMPD-NXEZZACHSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cnnn1 ZINC001574520941 950763667 /nfs/dbraw/zinc/76/36/67/950763667.db2.gz BJYFBSKVJGNMPD-UWVGGRQHSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cnnn1 ZINC001574520942 950761531 /nfs/dbraw/zinc/76/15/31/950761531.db2.gz BJYFBSKVJGNMPD-VHSXEESVSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574520943 950761505 /nfs/dbraw/zinc/76/15/05/950761505.db2.gz BJYFBSKVJGNMPD-ZJUUUORDSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1ncnn1 ZINC001574521756 950783019 /nfs/dbraw/zinc/78/30/19/950783019.db2.gz HLYKVRIAXBCSJR-NXEZZACHSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1ncnn1 ZINC001574521757 950784988 /nfs/dbraw/zinc/78/49/88/950784988.db2.gz HLYKVRIAXBCSJR-UWVGGRQHSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1ncnn1 ZINC001574521758 950785447 /nfs/dbraw/zinc/78/54/47/950785447.db2.gz HLYKVRIAXBCSJR-VHSXEESVSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574521759 950784699 /nfs/dbraw/zinc/78/46/99/950784699.db2.gz HLYKVRIAXBCSJR-ZJUUUORDSA-N 1 0 376.450 -0.012 20 0 GBADRO C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527960 950917331 /nfs/dbraw/zinc/91/73/31/950917331.db2.gz IWNLUWOCJMAYKF-GHMZBOCLSA-N 1 0 375.437 -0.294 20 0 GBADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN1CCNC1=O ZINC001574527961 950919532 /nfs/dbraw/zinc/91/95/32/950919532.db2.gz IWNLUWOCJMAYKF-MNOVXSKESA-N 1 0 375.437 -0.294 20 0 GBADRO C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527962 950917184 /nfs/dbraw/zinc/91/71/84/950917184.db2.gz IWNLUWOCJMAYKF-QWRGUYRKSA-N 1 0 375.437 -0.294 20 0 GBADRO C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527963 950917281 /nfs/dbraw/zinc/91/72/81/950917281.db2.gz IWNLUWOCJMAYKF-WDEREUQCSA-N 1 0 375.437 -0.294 20 0 GBADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574530614 950988111 /nfs/dbraw/zinc/98/81/11/950988111.db2.gz CNDSYRWJXJXHAZ-NEPJUHHUSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530615 950988317 /nfs/dbraw/zinc/98/83/17/950988317.db2.gz CNDSYRWJXJXHAZ-NWDGAFQWSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530616 950987099 /nfs/dbraw/zinc/98/70/99/950987099.db2.gz CNDSYRWJXJXHAZ-RYUDHWBXSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530617 950987126 /nfs/dbraw/zinc/98/71/26/950987126.db2.gz CNDSYRWJXJXHAZ-VXGBXAGGSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692746 949039830 /nfs/dbraw/zinc/03/98/30/949039830.db2.gz BPXKZIXWLZTQSD-JTQLQIEISA-N 1 0 381.462 -0.234 20 0 GBADRO C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692748 949042423 /nfs/dbraw/zinc/04/24/23/949042423.db2.gz BPXKZIXWLZTQSD-SNVBAGLBSA-N 1 0 381.462 -0.234 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574698079 949176110 /nfs/dbraw/zinc/17/61/10/949176110.db2.gz FWRJDMVCSAIQMD-CHWSQXEVSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574698080 949176050 /nfs/dbraw/zinc/17/60/50/949176050.db2.gz FWRJDMVCSAIQMD-OLZOCXBDSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574698081 949176322 /nfs/dbraw/zinc/17/63/22/949176322.db2.gz FWRJDMVCSAIQMD-QWHCGFSZSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574698082 949176698 /nfs/dbraw/zinc/17/66/98/949176698.db2.gz FWRJDMVCSAIQMD-STQMWFEESA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574698737 949202963 /nfs/dbraw/zinc/20/29/63/949202963.db2.gz OHWSGLWQTPFNHN-CHWSQXEVSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574698738 949205548 /nfs/dbraw/zinc/20/55/48/949205548.db2.gz OHWSGLWQTPFNHN-OLZOCXBDSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574698739 949204111 /nfs/dbraw/zinc/20/41/11/949204111.db2.gz OHWSGLWQTPFNHN-QWHCGFSZSA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574698740 949203478 /nfs/dbraw/zinc/20/34/78/949203478.db2.gz OHWSGLWQTPFNHN-STQMWFEESA-N 1 0 389.464 -0.116 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705895 949443120 /nfs/dbraw/zinc/44/31/20/949443120.db2.gz KILVLNKOISENPD-GWCFXTLKSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705896 949443216 /nfs/dbraw/zinc/44/32/16/949443216.db2.gz KILVLNKOISENPD-GXFFZTMASA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705897 949443522 /nfs/dbraw/zinc/44/35/22/949443522.db2.gz KILVLNKOISENPD-MFKMUULPSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574705898 949441791 /nfs/dbraw/zinc/44/17/91/949441791.db2.gz KILVLNKOISENPD-ZWNOBZJWSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574707684 949475261 /nfs/dbraw/zinc/47/52/61/949475261.db2.gz QDDWITZZSWNQOC-NEPJUHHUSA-N 1 0 387.448 -0.267 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574707685 949476612 /nfs/dbraw/zinc/47/66/12/949476612.db2.gz QDDWITZZSWNQOC-NWDGAFQWSA-N 1 0 387.448 -0.267 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574707686 949474058 /nfs/dbraw/zinc/47/40/58/949474058.db2.gz QDDWITZZSWNQOC-RYUDHWBXSA-N 1 0 387.448 -0.267 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574707687 949475439 /nfs/dbraw/zinc/47/54/39/949475439.db2.gz QDDWITZZSWNQOC-VXGBXAGGSA-N 1 0 387.448 -0.267 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708038 949484606 /nfs/dbraw/zinc/48/46/06/949484606.db2.gz SFLXHBJHYSVERG-BXUZGUMPSA-N 1 0 387.448 -0.124 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708039 949483549 /nfs/dbraw/zinc/48/35/49/949483549.db2.gz SFLXHBJHYSVERG-FZMZJTMJSA-N 1 0 387.448 -0.124 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708040 949483442 /nfs/dbraw/zinc/48/34/42/949483442.db2.gz SFLXHBJHYSVERG-RISCZKNCSA-N 1 0 387.448 -0.124 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708041 949485543 /nfs/dbraw/zinc/48/55/43/949485543.db2.gz SFLXHBJHYSVERG-SMDDNHRTSA-N 1 0 387.448 -0.124 20 0 GBADRO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574710709 949511437 /nfs/dbraw/zinc/51/14/37/949511437.db2.gz AIAIYIICYKMQMK-LLVKDONJSA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574710710 949512536 /nfs/dbraw/zinc/51/25/36/949512536.db2.gz AIAIYIICYKMQMK-NSHDSACASA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574710781 949515203 /nfs/dbraw/zinc/51/52/03/949515203.db2.gz BIBYVZQVSSVLKL-GHMZBOCLSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574710782 949517545 /nfs/dbraw/zinc/51/75/45/949517545.db2.gz BIBYVZQVSSVLKL-MNOVXSKESA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574710783 949517306 /nfs/dbraw/zinc/51/73/06/949517306.db2.gz BIBYVZQVSSVLKL-QWRGUYRKSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574710784 949518236 /nfs/dbraw/zinc/51/82/36/949518236.db2.gz BIBYVZQVSSVLKL-WDEREUQCSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574710935 949517334 /nfs/dbraw/zinc/51/73/34/949517334.db2.gz CFIMFKJBEULHET-SECBINFHSA-N 1 0 384.487 -0.091 20 0 GBADRO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574710936 949517969 /nfs/dbraw/zinc/51/79/69/949517969.db2.gz CFIMFKJBEULHET-VIFPVBQESA-N 1 0 384.487 -0.091 20 0 GBADRO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574711129 949526393 /nfs/dbraw/zinc/52/63/93/949526393.db2.gz DIQIKLHQRUPFOO-LLVKDONJSA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574711130 949525156 /nfs/dbraw/zinc/52/51/56/949525156.db2.gz DIQIKLHQRUPFOO-NSHDSACASA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711323 949532110 /nfs/dbraw/zinc/53/21/10/949532110.db2.gz GIMQEIKAYPEBMN-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711324 949532984 /nfs/dbraw/zinc/53/29/84/949532984.db2.gz GIMQEIKAYPEBMN-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711326 949531822 /nfs/dbraw/zinc/53/18/22/949531822.db2.gz GIMQEIKAYPEBMN-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711328 949531593 /nfs/dbraw/zinc/53/15/93/949531593.db2.gz GIMQEIKAYPEBMN-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711339 949533955 /nfs/dbraw/zinc/53/39/55/949533955.db2.gz GNTQMNMEKDKGLG-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711341 949530275 /nfs/dbraw/zinc/53/02/75/949530275.db2.gz GNTQMNMEKDKGLG-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711343 949532472 /nfs/dbraw/zinc/53/24/72/949532472.db2.gz GNTQMNMEKDKGLG-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711345 949529756 /nfs/dbraw/zinc/52/97/56/949529756.db2.gz GNTQMNMEKDKGLG-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711500 949540369 /nfs/dbraw/zinc/54/03/69/949540369.db2.gz IALYBVNXPJTALM-GXSJLCMTSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711501 949540763 /nfs/dbraw/zinc/54/07/63/949540763.db2.gz IALYBVNXPJTALM-KOLCDFICSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711502 949543178 /nfs/dbraw/zinc/54/31/78/949543178.db2.gz IALYBVNXPJTALM-MWLCHTKSSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574711503 949542935 /nfs/dbraw/zinc/54/29/35/949542935.db2.gz IALYBVNXPJTALM-ONGXEEELSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711645 949545033 /nfs/dbraw/zinc/54/50/33/949545033.db2.gz JVEQVKYCACASAS-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711646 949547026 /nfs/dbraw/zinc/54/70/26/949547026.db2.gz JVEQVKYCACASAS-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711647 949546550 /nfs/dbraw/zinc/54/65/50/949546550.db2.gz JVEQVKYCACASAS-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711648 949546968 /nfs/dbraw/zinc/54/69/68/949546968.db2.gz JVEQVKYCACASAS-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711655 949544717 /nfs/dbraw/zinc/54/47/17/949544717.db2.gz JXNVKGVBVCWQGO-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711656 949546760 /nfs/dbraw/zinc/54/67/60/949546760.db2.gz JXNVKGVBVCWQGO-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711657 949544535 /nfs/dbraw/zinc/54/45/35/949544535.db2.gz JXNVKGVBVCWQGO-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711658 949548317 /nfs/dbraw/zinc/54/83/17/949548317.db2.gz JXNVKGVBVCWQGO-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711745 949550284 /nfs/dbraw/zinc/55/02/84/949550284.db2.gz LHEUCEPTVAEJND-LLVKDONJSA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711746 949551602 /nfs/dbraw/zinc/55/16/02/949551602.db2.gz LHEUCEPTVAEJND-NSHDSACASA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711957 949563232 /nfs/dbraw/zinc/56/32/32/949563232.db2.gz OQFLHBZRAQXEIB-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711958 949564531 /nfs/dbraw/zinc/56/45/31/949564531.db2.gz OQFLHBZRAQXEIB-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711959 949564091 /nfs/dbraw/zinc/56/40/91/949564091.db2.gz OQFLHBZRAQXEIB-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574711960 949564416 /nfs/dbraw/zinc/56/44/16/949564416.db2.gz OQFLHBZRAQXEIB-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574712422 949580679 /nfs/dbraw/zinc/58/06/79/949580679.db2.gz SETBAKOGJVFULJ-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574712423 949578085 /nfs/dbraw/zinc/57/80/85/949578085.db2.gz SETBAKOGJVFULJ-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574712424 949581187 /nfs/dbraw/zinc/58/11/87/949581187.db2.gz SETBAKOGJVFULJ-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574712425 949578894 /nfs/dbraw/zinc/57/88/94/949578894.db2.gz SETBAKOGJVFULJ-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712870 949587903 /nfs/dbraw/zinc/58/79/03/949587903.db2.gz UOXBJCUYXUAGTL-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712871 949589065 /nfs/dbraw/zinc/58/90/65/949589065.db2.gz UOXBJCUYXUAGTL-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712872 949591627 /nfs/dbraw/zinc/59/16/27/949591627.db2.gz UOXBJCUYXUAGTL-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712873 949590897 /nfs/dbraw/zinc/59/08/97/949590897.db2.gz UOXBJCUYXUAGTL-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712884 949590347 /nfs/dbraw/zinc/59/03/47/949590347.db2.gz UXNQJSOQMHQPOE-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712885 949589424 /nfs/dbraw/zinc/58/94/24/949589424.db2.gz UXNQJSOQMHQPOE-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712886 949590639 /nfs/dbraw/zinc/59/06/39/949590639.db2.gz UXNQJSOQMHQPOE-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574712887 949590436 /nfs/dbraw/zinc/59/04/36/949590436.db2.gz UXNQJSOQMHQPOE-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713403 949604638 /nfs/dbraw/zinc/60/46/38/949604638.db2.gz XHMMHZPPBPKRSV-NEPJUHHUSA-N 1 0 382.432 -0.204 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713405 949603332 /nfs/dbraw/zinc/60/33/32/949603332.db2.gz XHMMHZPPBPKRSV-NWDGAFQWSA-N 1 0 382.432 -0.204 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713407 949605148 /nfs/dbraw/zinc/60/51/48/949605148.db2.gz XHMMHZPPBPKRSV-RYUDHWBXSA-N 1 0 382.432 -0.204 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713409 949603117 /nfs/dbraw/zinc/60/31/17/949603117.db2.gz XHMMHZPPBPKRSV-VXGBXAGGSA-N 1 0 382.432 -0.204 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574714063 949619916 /nfs/dbraw/zinc/61/99/16/949619916.db2.gz ZYUXMQWUXSINKG-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574714064 949619383 /nfs/dbraw/zinc/61/93/83/949619383.db2.gz ZYUXMQWUXSINKG-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574714065 949619156 /nfs/dbraw/zinc/61/91/56/949619156.db2.gz ZYUXMQWUXSINKG-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574714066 949616965 /nfs/dbraw/zinc/61/69/65/949616965.db2.gz ZYUXMQWUXSINKG-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574716050 949678856 /nfs/dbraw/zinc/67/88/56/949678856.db2.gz HRJJWWNUJNSDLC-JTQLQIEISA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574716051 949677781 /nfs/dbraw/zinc/67/77/81/949677781.db2.gz HRJJWWNUJNSDLC-SNVBAGLBSA-N 1 0 379.446 -0.623 20 0 GBADRO C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724037 949865092 /nfs/dbraw/zinc/86/50/92/949865092.db2.gz DYYTUIFALPTBEW-JTQLQIEISA-N 1 0 376.450 -0.059 20 0 GBADRO C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724041 949867515 /nfs/dbraw/zinc/86/75/15/949867515.db2.gz DYYTUIFALPTBEW-SNVBAGLBSA-N 1 0 376.450 -0.059 20 0 GBADRO C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724282 949865471 /nfs/dbraw/zinc/86/54/71/949865471.db2.gz GIAMGVBYHNFWEN-GFCCVEGCSA-N 1 0 383.416 -0.411 20 0 GBADRO C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724284 949867610 /nfs/dbraw/zinc/86/76/10/949867610.db2.gz GIAMGVBYHNFWEN-LBPRGKRZSA-N 1 0 383.416 -0.411 20 0 GBADRO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724714 949876575 /nfs/dbraw/zinc/87/65/75/949876575.db2.gz JWUCOTGEEBZMNV-SECBINFHSA-N 1 0 392.445 -0.584 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724715 949878084 /nfs/dbraw/zinc/87/80/84/949878084.db2.gz JWUCOTGEEBZMNV-VIFPVBQESA-N 1 0 392.445 -0.584 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725913 949914769 /nfs/dbraw/zinc/91/47/69/949914769.db2.gz DHWISMKIGOYJOI-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725915 949914001 /nfs/dbraw/zinc/91/40/01/949914001.db2.gz DHWISMKIGOYJOI-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725928 949915425 /nfs/dbraw/zinc/91/54/25/949915425.db2.gz DLLLRKGOUAYONF-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725930 949913824 /nfs/dbraw/zinc/91/38/24/949913824.db2.gz DLLLRKGOUAYONF-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574726589 949945049 /nfs/dbraw/zinc/94/50/49/949945049.db2.gz KLDNGGBIUJSGSL-LLVKDONJSA-N 1 0 381.462 -0.234 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574726590 949946337 /nfs/dbraw/zinc/94/63/37/949946337.db2.gz KLDNGGBIUJSGSL-NSHDSACASA-N 1 0 381.462 -0.234 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726768 949945305 /nfs/dbraw/zinc/94/53/05/949945305.db2.gz LBBRXTPXBOWPGO-LLVKDONJSA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726770 949946451 /nfs/dbraw/zinc/94/64/51/949946451.db2.gz LBBRXTPXBOWPGO-NSHDSACASA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726870 949944399 /nfs/dbraw/zinc/94/43/99/949944399.db2.gz MAYMAUXGXRVNFR-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726871 949943933 /nfs/dbraw/zinc/94/39/33/949943933.db2.gz MAYMAUXGXRVNFR-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574726910 949950322 /nfs/dbraw/zinc/95/03/22/949950322.db2.gz MJLWDPQUGFHCDX-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574726912 949951576 /nfs/dbraw/zinc/95/15/76/949951576.db2.gz MJLWDPQUGFHCDX-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727230 949955921 /nfs/dbraw/zinc/95/59/21/949955921.db2.gz QGHZLVUMMUAHJZ-LLVKDONJSA-N 1 0 386.420 -0.712 20 0 GBADRO C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727231 949953371 /nfs/dbraw/zinc/95/33/71/949953371.db2.gz QGHZLVUMMUAHJZ-NSHDSACASA-N 1 0 386.420 -0.712 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727252 949961975 /nfs/dbraw/zinc/96/19/75/949961975.db2.gz QOEZZXWXKVNJPV-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727253 949960419 /nfs/dbraw/zinc/96/04/19/949960419.db2.gz QOEZZXWXKVNJPV-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574727408 949965028 /nfs/dbraw/zinc/96/50/28/949965028.db2.gz RXLCZOCWFYRFQE-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574727409 949965952 /nfs/dbraw/zinc/96/59/52/949965952.db2.gz RXLCZOCWFYRFQE-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727498 949968851 /nfs/dbraw/zinc/96/88/51/949968851.db2.gz UKUTWGPEECWDNA-GFCCVEGCSA-N 1 0 385.432 -0.107 20 0 GBADRO C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727499 949970298 /nfs/dbraw/zinc/97/02/98/949970298.db2.gz UKUTWGPEECWDNA-LBPRGKRZSA-N 1 0 385.432 -0.107 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574727557 949969145 /nfs/dbraw/zinc/96/91/45/949969145.db2.gz VHJLXOOUKWVYLA-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574727558 949971241 /nfs/dbraw/zinc/97/12/41/949971241.db2.gz VHJLXOOUKWVYLA-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574727570 949972202 /nfs/dbraw/zinc/97/22/02/949972202.db2.gz VKGPZILIGFMETH-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574727572 949970015 /nfs/dbraw/zinc/97/00/15/949970015.db2.gz VKGPZILIGFMETH-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574727578 949969384 /nfs/dbraw/zinc/96/93/84/949969384.db2.gz VPPIDBIRLLZOPH-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574727579 949970582 /nfs/dbraw/zinc/97/05/82/949970582.db2.gz VPPIDBIRLLZOPH-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727748 949979982 /nfs/dbraw/zinc/97/99/82/949979982.db2.gz YVVAURVOGPRRBF-GFCCVEGCSA-N 1 0 385.432 -0.107 20 0 GBADRO C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727749 949979756 /nfs/dbraw/zinc/97/97/56/949979756.db2.gz YVVAURVOGPRRBF-LBPRGKRZSA-N 1 0 385.432 -0.107 20 0 GBADRO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574731451 950047710 /nfs/dbraw/zinc/04/77/10/950047710.db2.gz FAWCQGCJJXUVIY-GFCCVEGCSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574731452 950048670 /nfs/dbraw/zinc/04/86/70/950048670.db2.gz FAWCQGCJJXUVIY-LBPRGKRZSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574732076 950067060 /nfs/dbraw/zinc/06/70/60/950067060.db2.gz FWIMOAYGJGTFRL-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574732084 950066593 /nfs/dbraw/zinc/06/65/93/950066593.db2.gz FWIMOAYGJGTFRL-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574732117 950062683 /nfs/dbraw/zinc/06/26/83/950062683.db2.gz GELXREYGGBYSGR-LLVKDONJSA-N 1 0 385.436 -0.248 20 0 GBADRO CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574732123 950064259 /nfs/dbraw/zinc/06/42/59/950064259.db2.gz GELXREYGGBYSGR-NSHDSACASA-N 1 0 385.436 -0.248 20 0 GBADRO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574732242 950071189 /nfs/dbraw/zinc/07/11/89/950071189.db2.gz HQYBTYMRZCBBQZ-GFCCVEGCSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574732243 950071119 /nfs/dbraw/zinc/07/11/19/950071119.db2.gz HQYBTYMRZCBBQZ-LBPRGKRZSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732584 950075296 /nfs/dbraw/zinc/07/52/96/950075296.db2.gz KLWGKIRIASLQOA-SCZZXKLOSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732586 950075753 /nfs/dbraw/zinc/07/57/53/950075753.db2.gz KLWGKIRIASLQOA-WPRPVWTQSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574732861 950081321 /nfs/dbraw/zinc/08/13/21/950081321.db2.gz LIIHSHAZGSSSHS-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574732863 950081691 /nfs/dbraw/zinc/08/16/91/950081691.db2.gz LIIHSHAZGSSSHS-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732896 950079540 /nfs/dbraw/zinc/07/95/40/950079540.db2.gz MDDAKIUMZHNKLO-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732897 950081905 /nfs/dbraw/zinc/08/19/05/950081905.db2.gz MDDAKIUMZHNKLO-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732898 950078818 /nfs/dbraw/zinc/07/88/18/950078818.db2.gz MEHQAVFUFAOQAS-GFCCVEGCSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732899 950078939 /nfs/dbraw/zinc/07/89/39/950078939.db2.gz MEHQAVFUFAOQAS-LBPRGKRZSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733120 950097827 /nfs/dbraw/zinc/09/78/27/950097827.db2.gz SMESHZUCMRMEIB-JTQLQIEISA-N 1 0 391.461 -0.540 20 0 GBADRO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733121 950095945 /nfs/dbraw/zinc/09/59/45/950095945.db2.gz SMESHZUCMRMEIB-SNVBAGLBSA-N 1 0 391.461 -0.540 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574733893 950118682 /nfs/dbraw/zinc/11/86/82/950118682.db2.gz GHJOOSSEVNRHFV-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574733894 950117370 /nfs/dbraw/zinc/11/73/70/950117370.db2.gz GHJOOSSEVNRHFV-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574734104 950128354 /nfs/dbraw/zinc/12/83/54/950128354.db2.gz JBOQOTGDOCJMEK-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574734105 950128537 /nfs/dbraw/zinc/12/85/37/950128537.db2.gz JBOQOTGDOCJMEK-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574734457 950136413 /nfs/dbraw/zinc/13/64/13/950136413.db2.gz NEOQIFMOKIPQTN-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574734458 950136022 /nfs/dbraw/zinc/13/60/22/950136022.db2.gz NEOQIFMOKIPQTN-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574734693 950136535 /nfs/dbraw/zinc/13/65/35/950136535.db2.gz OHVRCQKPOSPUES-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574734694 950137365 /nfs/dbraw/zinc/13/73/65/950137365.db2.gz OHVRCQKPOSPUES-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574738462 950171695 /nfs/dbraw/zinc/17/16/95/950171695.db2.gz FKUSZQGHGGDPCU-NEPJUHHUSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574738463 950170082 /nfs/dbraw/zinc/17/00/82/950170082.db2.gz FKUSZQGHGGDPCU-NWDGAFQWSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574738464 950171908 /nfs/dbraw/zinc/17/19/08/950171908.db2.gz FKUSZQGHGGDPCU-RYUDHWBXSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574738465 950170625 /nfs/dbraw/zinc/17/06/25/950170625.db2.gz FKUSZQGHGGDPCU-VXGBXAGGSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574738785 950175939 /nfs/dbraw/zinc/17/59/39/950175939.db2.gz HUAIKHHPQYXLFK-SECBINFHSA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574738786 950175691 /nfs/dbraw/zinc/17/56/91/950175691.db2.gz HUAIKHHPQYXLFK-VIFPVBQESA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738839 950180072 /nfs/dbraw/zinc/18/00/72/950180072.db2.gz IIBCANYGGGKBOP-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738841 950179018 /nfs/dbraw/zinc/17/90/18/950179018.db2.gz IIBCANYGGGKBOP-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574738843 950178181 /nfs/dbraw/zinc/17/81/81/950178181.db2.gz IIBCANYGGGKBOP-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574738845 950178883 /nfs/dbraw/zinc/17/88/83/950178883.db2.gz IIBCANYGGGKBOP-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574739393 950190023 /nfs/dbraw/zinc/19/00/23/950190023.db2.gz OQMXOUVCPOESAA-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574739394 950190773 /nfs/dbraw/zinc/19/07/73/950190773.db2.gz OQMXOUVCPOESAA-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574739538 950199857 /nfs/dbraw/zinc/19/98/57/950199857.db2.gz RHIZKIKMMLWAHL-JTQLQIEISA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574739539 950199696 /nfs/dbraw/zinc/19/96/96/950199696.db2.gz RHIZKIKMMLWAHL-SNVBAGLBSA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574739548 950198193 /nfs/dbraw/zinc/19/81/93/950198193.db2.gz RMDDCHGQDBWIGN-AAEUAGOBSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574739549 950198158 /nfs/dbraw/zinc/19/81/58/950198158.db2.gz RMDDCHGQDBWIGN-DGCLKSJQSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574739550 950197364 /nfs/dbraw/zinc/19/73/64/950197364.db2.gz RMDDCHGQDBWIGN-WCQYABFASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574739551 950198344 /nfs/dbraw/zinc/19/83/44/950198344.db2.gz RMDDCHGQDBWIGN-YPMHNXCESA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCOCC1 ZINC001574739614 950200577 /nfs/dbraw/zinc/20/05/77/950200577.db2.gz TVJHEUSJVGVYRM-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCOCC1 ZINC001574739615 950202528 /nfs/dbraw/zinc/20/25/28/950202528.db2.gz TVJHEUSJVGVYRM-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1nncs1 ZINC001574739620 950201721 /nfs/dbraw/zinc/20/17/21/950201721.db2.gz TZQYWHKRAYXEAH-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1nncs1 ZINC001574739621 950201753 /nfs/dbraw/zinc/20/17/53/950201753.db2.gz TZQYWHKRAYXEAH-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574739644 950201553 /nfs/dbraw/zinc/20/15/53/950201553.db2.gz UQJJAJLHEZRXOW-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574739645 950203926 /nfs/dbraw/zinc/20/39/26/950203926.db2.gz UQJJAJLHEZRXOW-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574739646 950202654 /nfs/dbraw/zinc/20/26/54/950202654.db2.gz UQJJAJLHEZRXOW-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574739647 950203714 /nfs/dbraw/zinc/20/37/14/950203714.db2.gz UQJJAJLHEZRXOW-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574739930 950216366 /nfs/dbraw/zinc/21/63/66/950216366.db2.gz ZMIMVXDGZUCHHI-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574739931 950216327 /nfs/dbraw/zinc/21/63/27/950216327.db2.gz ZMIMVXDGZUCHHI-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)COCC[NH+](C)C ZINC001574740002 950221027 /nfs/dbraw/zinc/22/10/27/950221027.db2.gz AUCKCXJNVHGMJE-LLVKDONJSA-N 1 0 378.437 -0.650 20 0 GBADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)COCC[NH+](C)C ZINC001574740003 950221766 /nfs/dbraw/zinc/22/17/66/950221766.db2.gz AUCKCXJNVHGMJE-NSHDSACASA-N 1 0 378.437 -0.650 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574742066 950262279 /nfs/dbraw/zinc/26/22/79/950262279.db2.gz KVKXTTNZMWOKPN-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574742067 950265758 /nfs/dbraw/zinc/26/57/58/950265758.db2.gz KVKXTTNZMWOKPN-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574742272 950279907 /nfs/dbraw/zinc/27/99/07/950279907.db2.gz NGJQNLDBBNVGCH-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574742273 950278792 /nfs/dbraw/zinc/27/87/92/950278792.db2.gz NGJQNLDBBNVGCH-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574742615 950297007 /nfs/dbraw/zinc/29/70/07/950297007.db2.gz PZNVCNCCMGQALZ-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574742616 950300125 /nfs/dbraw/zinc/30/01/25/950300125.db2.gz PZNVCNCCMGQALZ-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574744817 950367373 /nfs/dbraw/zinc/36/73/73/950367373.db2.gz BUQUFIRSKLNOOF-AAEUAGOBSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574744819 950367117 /nfs/dbraw/zinc/36/71/17/950367117.db2.gz BUQUFIRSKLNOOF-DGCLKSJQSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574744820 950367566 /nfs/dbraw/zinc/36/75/66/950367566.db2.gz BUQUFIRSKLNOOF-WCQYABFASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574744821 950367853 /nfs/dbraw/zinc/36/78/53/950367853.db2.gz BUQUFIRSKLNOOF-YPMHNXCESA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574744985 950369090 /nfs/dbraw/zinc/36/90/90/950369090.db2.gz DQNXBXGTGDBXJR-NEPJUHHUSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574744986 950367353 /nfs/dbraw/zinc/36/73/53/950367353.db2.gz DQNXBXGTGDBXJR-NWDGAFQWSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574744987 950370955 /nfs/dbraw/zinc/37/09/55/950370955.db2.gz DQNXBXGTGDBXJR-RYUDHWBXSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574744988 950373065 /nfs/dbraw/zinc/37/30/65/950373065.db2.gz DQNXBXGTGDBXJR-VXGBXAGGSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574745145 950372902 /nfs/dbraw/zinc/37/29/02/950372902.db2.gz FQYMIMMZZYCLCU-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574745146 950371676 /nfs/dbraw/zinc/37/16/76/950371676.db2.gz FQYMIMMZZYCLCU-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574745221 950376126 /nfs/dbraw/zinc/37/61/26/950376126.db2.gz HHGDGYBADXRUFN-JTQLQIEISA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574745222 950375674 /nfs/dbraw/zinc/37/56/74/950375674.db2.gz HHGDGYBADXRUFN-SNVBAGLBSA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574745424 950381225 /nfs/dbraw/zinc/38/12/25/950381225.db2.gz JMTFXYFZVCBGNI-SECBINFHSA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001574745427 950384300 /nfs/dbraw/zinc/38/43/00/950384300.db2.gz JMTFXYFZVCBGNI-VIFPVBQESA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745826 950387905 /nfs/dbraw/zinc/38/79/05/950387905.db2.gz KWSNOQRPPWUDEI-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745828 950388657 /nfs/dbraw/zinc/38/86/57/950388657.db2.gz KWSNOQRPPWUDEI-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574745829 950386562 /nfs/dbraw/zinc/38/65/62/950386562.db2.gz KWSNOQRPPWUDEI-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574745831 950385085 /nfs/dbraw/zinc/38/50/85/950385085.db2.gz KWSNOQRPPWUDEI-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574746143 950392933 /nfs/dbraw/zinc/39/29/33/950392933.db2.gz MABYWBDBGIUBJN-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574746144 950391305 /nfs/dbraw/zinc/39/13/05/950391305.db2.gz MABYWBDBGIUBJN-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574746145 950393732 /nfs/dbraw/zinc/39/37/32/950393732.db2.gz MABYWBDBGIUBJN-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574746146 950390199 /nfs/dbraw/zinc/39/01/99/950390199.db2.gz MABYWBDBGIUBJN-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574746827 950400377 /nfs/dbraw/zinc/40/03/77/950400377.db2.gz QBMJQMVFELKPAY-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574746828 950402131 /nfs/dbraw/zinc/40/21/31/950402131.db2.gz QBMJQMVFELKPAY-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574747207 950406300 /nfs/dbraw/zinc/40/63/00/950406300.db2.gz SIBWBSVZYHDPIU-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574747210 950406244 /nfs/dbraw/zinc/40/62/44/950406244.db2.gz SIBWBSVZYHDPIU-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574747702 950414771 /nfs/dbraw/zinc/41/47/71/950414771.db2.gz VKHYDVBAZSRSQH-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574747703 950413512 /nfs/dbraw/zinc/41/35/12/950413512.db2.gz VKHYDVBAZSRSQH-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574747744 950412688 /nfs/dbraw/zinc/41/26/88/950412688.db2.gz WRCJCRWGSWXUPM-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574747745 950412469 /nfs/dbraw/zinc/41/24/69/950412469.db2.gz WRCJCRWGSWXUPM-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747864 950421691 /nfs/dbraw/zinc/42/16/91/950421691.db2.gz ZIAFEXSSXCFMEW-AAEUAGOBSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574747865 950423075 /nfs/dbraw/zinc/42/30/75/950423075.db2.gz ZIAFEXSSXCFMEW-YPMHNXCESA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752798 950498738 /nfs/dbraw/zinc/49/87/38/950498738.db2.gz AGYGMWDRGHTHPL-NEPJUHHUSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001574752799 950499530 /nfs/dbraw/zinc/49/95/30/950499530.db2.gz AGYGMWDRGHTHPL-RYUDHWBXSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753019 950507718 /nfs/dbraw/zinc/50/77/18/950507718.db2.gz IILRHGYUHNSOSO-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753021 950509413 /nfs/dbraw/zinc/50/94/13/950509413.db2.gz IILRHGYUHNSOSO-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574753203 950513993 /nfs/dbraw/zinc/51/39/93/950513993.db2.gz DJGIVOSKDMCZPD-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001574753206 950512359 /nfs/dbraw/zinc/51/23/59/950512359.db2.gz DJGIVOSKDMCZPD-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753262 950518033 /nfs/dbraw/zinc/51/80/33/950518033.db2.gz KENUUCQLRCANSR-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753263 950518450 /nfs/dbraw/zinc/51/84/50/950518450.db2.gz KENUUCQLRCANSR-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574753299 950518489 /nfs/dbraw/zinc/51/84/89/950518489.db2.gz DYWGDGKRXGSVNG-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574753301 950520056 /nfs/dbraw/zinc/52/00/56/950520056.db2.gz DYWGDGKRXGSVNG-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574753303 950517215 /nfs/dbraw/zinc/51/72/15/950517215.db2.gz DYWGDGKRXGSVNG-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574753305 950518750 /nfs/dbraw/zinc/51/87/50/950518750.db2.gz DYWGDGKRXGSVNG-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574753314 950517389 /nfs/dbraw/zinc/51/73/89/950517389.db2.gz FEEZGAKLOZTHIA-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NCC(F)(F)F ZINC001574753315 950519087 /nfs/dbraw/zinc/51/90/87/950519087.db2.gz FEEZGAKLOZTHIA-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574753920 950551464 /nfs/dbraw/zinc/55/14/64/950551464.db2.gz HUHKHHQOICFVDO-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001574753921 950550620 /nfs/dbraw/zinc/55/06/20/950550620.db2.gz HUHKHHQOICFVDO-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574754419 950571607 /nfs/dbraw/zinc/57/16/07/950571607.db2.gz LCRYBSLDBUQKSP-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574754420 950575352 /nfs/dbraw/zinc/57/53/52/950575352.db2.gz LCRYBSLDBUQKSP-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574755770 950596676 /nfs/dbraw/zinc/59/66/76/950596676.db2.gz VPAQNFHXONXMDN-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574755771 950594994 /nfs/dbraw/zinc/59/49/94/950594994.db2.gz VPAQNFHXONXMDN-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755790 950600748 /nfs/dbraw/zinc/60/07/48/950600748.db2.gz WCSOKNNXHOQWEN-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755791 950599918 /nfs/dbraw/zinc/59/99/18/950599918.db2.gz WCSOKNNXHOQWEN-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001574755792 950600790 /nfs/dbraw/zinc/60/07/90/950600790.db2.gz WCSOKNNXHOQWEN-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001574755793 950598504 /nfs/dbraw/zinc/59/85/04/950598504.db2.gz WCSOKNNXHOQWEN-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574756256 950599428 /nfs/dbraw/zinc/59/94/28/950599428.db2.gz XVLUJIDDIHXHML-JTQLQIEISA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001574756258 950599899 /nfs/dbraw/zinc/59/98/99/950599899.db2.gz XVLUJIDDIHXHML-SNVBAGLBSA-N 1 0 384.466 -0.864 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574756282 950604225 /nfs/dbraw/zinc/60/42/25/950604225.db2.gz YJUNGTHNQMMKHK-NEPJUHHUSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574756283 950605091 /nfs/dbraw/zinc/60/50/91/950605091.db2.gz YJUNGTHNQMMKHK-NWDGAFQWSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574756284 950602496 /nfs/dbraw/zinc/60/24/96/950602496.db2.gz YJUNGTHNQMMKHK-RYUDHWBXSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574756286 950605124 /nfs/dbraw/zinc/60/51/24/950605124.db2.gz YJUNGTHNQMMKHK-VXGBXAGGSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cccn2nnnc12)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574759630 950644131 /nfs/dbraw/zinc/64/41/31/950644131.db2.gz PTNOEGGAICDPSX-JTQLQIEISA-N 1 0 379.388 -0.306 20 0 GBADRO C[C@H](CN(C)C(=O)c1cccn2nnnc12)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574759631 950643485 /nfs/dbraw/zinc/64/34/85/950643485.db2.gz PTNOEGGAICDPSX-SNVBAGLBSA-N 1 0 379.388 -0.306 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760136 950654525 /nfs/dbraw/zinc/65/45/25/950654525.db2.gz TXWAFRVUQDPCBW-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760137 950656985 /nfs/dbraw/zinc/65/69/85/950656985.db2.gz TXWAFRVUQDPCBW-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760842 950685255 /nfs/dbraw/zinc/68/52/55/950685255.db2.gz MSZJWLNVPIGBMM-SECBINFHSA-N 1 0 385.388 -0.945 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760843 950685047 /nfs/dbraw/zinc/68/50/47/950685047.db2.gz MSZJWLNVPIGBMM-VIFPVBQESA-N 1 0 385.388 -0.945 20 0 GBADRO C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760868 950685309 /nfs/dbraw/zinc/68/53/09/950685309.db2.gz NFVZLYCITVIGAX-JTQLQIEISA-N 1 0 384.400 -0.123 20 0 GBADRO C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760869 950684800 /nfs/dbraw/zinc/68/48/00/950684800.db2.gz NFVZLYCITVIGAX-SNVBAGLBSA-N 1 0 384.400 -0.123 20 0 GBADRO C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763515 950717580 /nfs/dbraw/zinc/71/75/80/950717580.db2.gz CYYDPMRQHJWRRK-LLVKDONJSA-N 1 0 383.416 -0.017 20 0 GBADRO C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763516 950720153 /nfs/dbraw/zinc/72/01/53/950720153.db2.gz CYYDPMRQHJWRRK-NSHDSACASA-N 1 0 383.416 -0.017 20 0 GBADRO C[C@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768609 950896244 /nfs/dbraw/zinc/89/62/44/950896244.db2.gz ZUPYQYSJZLGJSZ-SECBINFHSA-N 1 0 382.388 -0.855 20 0 GBADRO C[C@@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768610 950896642 /nfs/dbraw/zinc/89/66/42/950896642.db2.gz ZUPYQYSJZLGJSZ-VIFPVBQESA-N 1 0 382.388 -0.855 20 0 GBADRO C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768913 950906574 /nfs/dbraw/zinc/90/65/74/950906574.db2.gz XLGMNEQUZDBMJE-JTQLQIEISA-N 1 0 385.436 -0.002 20 0 GBADRO C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768914 950904877 /nfs/dbraw/zinc/90/48/77/950904877.db2.gz XLGMNEQUZDBMJE-SNVBAGLBSA-N 1 0 385.436 -0.002 20 0 GBADRO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771297 950912639 /nfs/dbraw/zinc/91/26/39/950912639.db2.gz AEKMQTLOAJOYOS-NEPJUHHUSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771298 950910833 /nfs/dbraw/zinc/91/08/33/950910833.db2.gz AEKMQTLOAJOYOS-RYUDHWBXSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771419 950922735 /nfs/dbraw/zinc/92/27/35/950922735.db2.gz DJEDATJBQFDJRP-AAEUAGOBSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771420 950920703 /nfs/dbraw/zinc/92/07/03/950920703.db2.gz DJEDATJBQFDJRP-YPMHNXCESA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771433 950921204 /nfs/dbraw/zinc/92/12/04/950921204.db2.gz DRXXONSWVVGBPE-AAEUAGOBSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771434 950922078 /nfs/dbraw/zinc/92/20/78/950922078.db2.gz DRXXONSWVVGBPE-YPMHNXCESA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772152 950960043 /nfs/dbraw/zinc/96/00/43/950960043.db2.gz QESVHCUYKVWHQE-JTQLQIEISA-N 1 0 389.420 -0.813 20 0 GBADRO C[C@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772153 950956589 /nfs/dbraw/zinc/95/65/89/950956589.db2.gz QESVHCUYKVWHQE-SNVBAGLBSA-N 1 0 389.420 -0.813 20 0 GBADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574772354 950968034 /nfs/dbraw/zinc/96/80/34/950968034.db2.gz SCAHQBVLVBTHFJ-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574772355 950970184 /nfs/dbraw/zinc/97/01/84/950970184.db2.gz SCAHQBVLVBTHFJ-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574772356 950969496 /nfs/dbraw/zinc/96/94/96/950969496.db2.gz SCAHQBVLVBTHFJ-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574772357 950970382 /nfs/dbraw/zinc/97/03/82/950970382.db2.gz SCAHQBVLVBTHFJ-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574772641 950977024 /nfs/dbraw/zinc/97/70/24/950977024.db2.gz TWLKVZQILOHHTO-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574772643 950973001 /nfs/dbraw/zinc/97/30/01/950973001.db2.gz TWLKVZQILOHHTO-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574772645 950974609 /nfs/dbraw/zinc/97/46/09/950974609.db2.gz TWLKVZQILOHHTO-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574772647 950972967 /nfs/dbraw/zinc/97/29/67/950972967.db2.gz TWLKVZQILOHHTO-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H](C)NC(N)=O ZINC001574773975 950996321 /nfs/dbraw/zinc/99/63/21/950996321.db2.gz AIKXAHUCDUNIBK-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H](C)NC(N)=O ZINC001574773976 950997830 /nfs/dbraw/zinc/99/78/30/950997830.db2.gz AIKXAHUCDUNIBK-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574914432 948748685 /nfs/dbraw/zinc/74/86/85/948748685.db2.gz JMGHFWIBWPNKKJ-GYSYKLTISA-N 1 0 388.432 -0.587 20 0 GBADRO C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574914433 948747887 /nfs/dbraw/zinc/74/78/87/948747887.db2.gz JMGHFWIBWPNKKJ-WDMOLILDSA-N 1 0 388.432 -0.587 20 0 GBADRO C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917820 948828545 /nfs/dbraw/zinc/82/85/45/948828545.db2.gz CKZGNRIFNURAKF-SECBINFHSA-N 1 0 387.491 -0.409 20 0 GBADRO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917821 948827944 /nfs/dbraw/zinc/82/79/44/948827944.db2.gz CKZGNRIFNURAKF-VIFPVBQESA-N 1 0 387.491 -0.409 20 0 GBADRO C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574918325 948841217 /nfs/dbraw/zinc/84/12/17/948841217.db2.gz JDHMQWCJZPRDHA-LLVKDONJSA-N 1 0 381.462 -0.470 20 0 GBADRO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574918327 948840542 /nfs/dbraw/zinc/84/05/42/948840542.db2.gz JDHMQWCJZPRDHA-NSHDSACASA-N 1 0 381.462 -0.470 20 0 GBADRO C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574919205 948873653 /nfs/dbraw/zinc/87/36/53/948873653.db2.gz WKASRNOJCQOWKE-JTQLQIEISA-N 1 0 382.450 -0.729 20 0 GBADRO C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574919206 948873504 /nfs/dbraw/zinc/87/35/04/948873504.db2.gz WKASRNOJCQOWKE-SNVBAGLBSA-N 1 0 382.450 -0.729 20 0 GBADRO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923201 948939246 /nfs/dbraw/zinc/93/92/46/948939246.db2.gz HHCRJSYMIUNFGU-JTQLQIEISA-N 1 0 391.461 -0.492 20 0 GBADRO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923202 948937730 /nfs/dbraw/zinc/93/77/30/948937730.db2.gz HHCRJSYMIUNFGU-SNVBAGLBSA-N 1 0 391.461 -0.492 20 0 GBADRO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923347 948946111 /nfs/dbraw/zinc/94/61/11/948946111.db2.gz KFLQGELJPBWLPL-GFCCVEGCSA-N 1 0 385.432 -0.554 20 0 GBADRO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923348 948944972 /nfs/dbraw/zinc/94/49/72/948944972.db2.gz KFLQGELJPBWLPL-LBPRGKRZSA-N 1 0 385.432 -0.554 20 0 GBADRO C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923576 948956193 /nfs/dbraw/zinc/95/61/93/948956193.db2.gz PPXLXHMATHGWDU-GFCCVEGCSA-N 1 0 383.416 -0.150 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923578 948955864 /nfs/dbraw/zinc/95/58/64/948955864.db2.gz PPXLXHMATHGWDU-LBPRGKRZSA-N 1 0 383.416 -0.150 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnnn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923708 948961205 /nfs/dbraw/zinc/96/12/05/948961205.db2.gz RMKICPZUHAGAQN-JTQLQIEISA-N 1 0 376.450 -0.059 20 0 GBADRO C[C@H](CNC(=O)CCn1cnnn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923715 948959034 /nfs/dbraw/zinc/95/90/34/948959034.db2.gz RMKICPZUHAGAQN-SNVBAGLBSA-N 1 0 376.450 -0.059 20 0 GBADRO C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923833 948960214 /nfs/dbraw/zinc/96/02/14/948960214.db2.gz SKPCEESCIKUWCY-LLVKDONJSA-N 1 0 386.420 -0.812 20 0 GBADRO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923836 948960192 /nfs/dbraw/zinc/96/01/92/948960192.db2.gz SKPCEESCIKUWCY-NSHDSACASA-N 1 0 386.420 -0.812 20 0 GBADRO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923945 948964190 /nfs/dbraw/zinc/96/41/90/948964190.db2.gz UPAARVKMYLSEBR-GFCCVEGCSA-N 1 0 385.432 -0.554 20 0 GBADRO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923946 948962513 /nfs/dbraw/zinc/96/25/13/948962513.db2.gz UPAARVKMYLSEBR-LBPRGKRZSA-N 1 0 385.432 -0.554 20 0 GBADRO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574925743 948977107 /nfs/dbraw/zinc/97/71/07/948977107.db2.gz CZCZJGYMUQMCOV-LLVKDONJSA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574925745 948976997 /nfs/dbraw/zinc/97/69/97/948976997.db2.gz CZCZJGYMUQMCOV-NSHDSACASA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925843 948980638 /nfs/dbraw/zinc/98/06/38/948980638.db2.gz FJLJXMXYEYPYFQ-JTQLQIEISA-N 1 0 382.450 -0.906 20 0 GBADRO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925845 948979951 /nfs/dbraw/zinc/97/99/51/948979951.db2.gz FJLJXMXYEYPYFQ-SNVBAGLBSA-N 1 0 382.450 -0.906 20 0 GBADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925961 948981414 /nfs/dbraw/zinc/98/14/14/948981414.db2.gz FNBIJIXFLKLJAL-SECBINFHSA-N 1 0 392.445 -0.536 20 0 GBADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574925962 948979231 /nfs/dbraw/zinc/97/92/31/948979231.db2.gz FNBIJIXFLKLJAL-VIFPVBQESA-N 1 0 392.445 -0.536 20 0 GBADRO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926088 948982195 /nfs/dbraw/zinc/98/21/95/948982195.db2.gz IECCJOQWEGCIMY-SECBINFHSA-N 1 0 387.491 -0.586 20 0 GBADRO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926089 948985155 /nfs/dbraw/zinc/98/51/55/948985155.db2.gz IECCJOQWEGCIMY-VIFPVBQESA-N 1 0 387.491 -0.586 20 0 GBADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926118 948987340 /nfs/dbraw/zinc/98/73/40/948987340.db2.gz ITTCHRCFTQJZBZ-LLVKDONJSA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926119 948987707 /nfs/dbraw/zinc/98/77/07/948987707.db2.gz ITTCHRCFTQJZBZ-NSHDSACASA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926224 948989772 /nfs/dbraw/zinc/98/97/72/948989772.db2.gz LFZGTJJUCJEXCK-LLVKDONJSA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926225 948990674 /nfs/dbraw/zinc/99/06/74/948990674.db2.gz LFZGTJJUCJEXCK-NSHDSACASA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926310 948992850 /nfs/dbraw/zinc/99/28/50/948992850.db2.gz NGLYIINXXNMEEY-LLVKDONJSA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926311 948995573 /nfs/dbraw/zinc/99/55/73/948995573.db2.gz NGLYIINXXNMEEY-NSHDSACASA-N 1 0 386.416 -0.597 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926641 949013340 /nfs/dbraw/zinc/01/33/40/949013340.db2.gz BPOQQQPFVMABEL-LLVKDONJSA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574926642 949014087 /nfs/dbraw/zinc/01/40/87/949014087.db2.gz BPOQQQPFVMABEL-NSHDSACASA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926665 949019376 /nfs/dbraw/zinc/01/93/76/949019376.db2.gz CGRYZAJBFVDRGQ-GFCCVEGCSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926666 949019219 /nfs/dbraw/zinc/01/92/19/949019219.db2.gz CGRYZAJBFVDRGQ-LBPRGKRZSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926748 949023030 /nfs/dbraw/zinc/02/30/30/949023030.db2.gz WQTFJOPXPHRIAJ-LLVKDONJSA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926749 949020086 /nfs/dbraw/zinc/02/00/86/949020086.db2.gz WQTFJOPXPHRIAJ-NSHDSACASA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926764 949020776 /nfs/dbraw/zinc/02/07/76/949020776.db2.gz XBIOQBNRLWZKKG-JTQLQIEISA-N 1 0 387.404 -0.856 20 0 GBADRO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574926765 949021862 /nfs/dbraw/zinc/02/18/62/949021862.db2.gz XBIOQBNRLWZKKG-SNVBAGLBSA-N 1 0 387.404 -0.856 20 0 GBADRO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926828 949027383 /nfs/dbraw/zinc/02/73/83/949027383.db2.gz YHTAGFNUGNXZCF-LLVKDONJSA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574926829 949027207 /nfs/dbraw/zinc/02/72/07/949027207.db2.gz YHTAGFNUGNXZCF-NSHDSACASA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926842 949026116 /nfs/dbraw/zinc/02/61/16/949026116.db2.gz YPEDXDYLDPZTES-JTQLQIEISA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926843 949027821 /nfs/dbraw/zinc/02/78/21/949027821.db2.gz YPEDXDYLDPZTES-SNVBAGLBSA-N 1 0 389.391 -0.251 20 0 GBADRO C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574927186 949036952 /nfs/dbraw/zinc/03/69/52/949036952.db2.gz GSHWXZOTPSTGIW-GFCCVEGCSA-N 1 0 387.448 -0.347 20 0 GBADRO C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574927191 949033979 /nfs/dbraw/zinc/03/39/79/949033979.db2.gz GSHWXZOTPSTGIW-LBPRGKRZSA-N 1 0 387.448 -0.347 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574927196 949034532 /nfs/dbraw/zinc/03/45/32/949034532.db2.gz GYZTUEABKUAGSX-LLVKDONJSA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574927197 949034477 /nfs/dbraw/zinc/03/44/77/949034477.db2.gz GYZTUEABKUAGSX-NSHDSACASA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574927230 949041446 /nfs/dbraw/zinc/04/14/46/949041446.db2.gz HYGHLJKNIDOLNO-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574927231 949040078 /nfs/dbraw/zinc/04/00/78/949040078.db2.gz HYGHLJKNIDOLNO-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574927428 949039280 /nfs/dbraw/zinc/03/92/80/949039280.db2.gz IQYKPSBSBZYXFZ-LLVKDONJSA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574927429 949041918 /nfs/dbraw/zinc/04/19/18/949041918.db2.gz IQYKPSBSBZYXFZ-NSHDSACASA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574927459 949045596 /nfs/dbraw/zinc/04/55/96/949045596.db2.gz JABTYJFOGMHPNA-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574927461 949046195 /nfs/dbraw/zinc/04/61/95/949046195.db2.gz JABTYJFOGMHPNA-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574927485 949047092 /nfs/dbraw/zinc/04/70/92/949047092.db2.gz JJKRTJSFHDIXFA-GFCCVEGCSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574927487 949045367 /nfs/dbraw/zinc/04/53/67/949045367.db2.gz JJKRTJSFHDIXFA-LBPRGKRZSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574927518 949043302 /nfs/dbraw/zinc/04/33/02/949043302.db2.gz JTJXWZZHIULFAO-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574927520 949046017 /nfs/dbraw/zinc/04/60/17/949046017.db2.gz JTJXWZZHIULFAO-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574927535 949043840 /nfs/dbraw/zinc/04/38/40/949043840.db2.gz JVXAFZUFHYWCCS-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574927536 949045271 /nfs/dbraw/zinc/04/52/71/949045271.db2.gz JVXAFZUFHYWCCS-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574927799 949050636 /nfs/dbraw/zinc/05/06/36/949050636.db2.gz LEIAGPAYSACPIA-JTQLQIEISA-N 1 0 379.446 -0.619 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574927801 949048104 /nfs/dbraw/zinc/04/81/04/949048104.db2.gz LEIAGPAYSACPIA-SNVBAGLBSA-N 1 0 379.446 -0.619 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574927873 949050013 /nfs/dbraw/zinc/05/00/13/949050013.db2.gz MCEPCAQZJUYBEC-GFCCVEGCSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574927874 949052045 /nfs/dbraw/zinc/05/20/45/949052045.db2.gz MCEPCAQZJUYBEC-LBPRGKRZSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574927908 949051688 /nfs/dbraw/zinc/05/16/88/949051688.db2.gz MLGFXVBLLZEALY-LLVKDONJSA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574927910 949049432 /nfs/dbraw/zinc/04/94/32/949049432.db2.gz MLGFXVBLLZEALY-NSHDSACASA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574928213 949054482 /nfs/dbraw/zinc/05/44/82/949054482.db2.gz MZMYJHYCHSBHQO-JTQLQIEISA-N 1 0 378.462 -0.062 20 0 GBADRO C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574928215 949055320 /nfs/dbraw/zinc/05/53/20/949055320.db2.gz MZMYJHYCHSBHQO-SNVBAGLBSA-N 1 0 378.462 -0.062 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574928248 949056229 /nfs/dbraw/zinc/05/62/29/949056229.db2.gz NOORNGLNKGWSOQ-LLVKDONJSA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574928249 949056188 /nfs/dbraw/zinc/05/61/88/949056188.db2.gz NOORNGLNKGWSOQ-NSHDSACASA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928583 949058023 /nfs/dbraw/zinc/05/80/23/949058023.db2.gz OXTZHOMANQLKLG-LLVKDONJSA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928585 949056769 /nfs/dbraw/zinc/05/67/69/949056769.db2.gz OXTZHOMANQLKLG-NSHDSACASA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574928587 949057061 /nfs/dbraw/zinc/05/70/61/949057061.db2.gz OZCSUEDOTRBFDH-LLVKDONJSA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574928589 949060974 /nfs/dbraw/zinc/06/09/74/949060974.db2.gz OZCSUEDOTRBFDH-NSHDSACASA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574928621 949060188 /nfs/dbraw/zinc/06/01/88/949060188.db2.gz PRNWWOGGILTCSI-LLVKDONJSA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574928622 949057286 /nfs/dbraw/zinc/05/72/86/949057286.db2.gz PRNWWOGGILTCSI-NSHDSACASA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574928693 949065260 /nfs/dbraw/zinc/06/52/60/949065260.db2.gz QWFLXEBFQNDNGO-LLVKDONJSA-N 1 0 381.400 -0.575 20 0 GBADRO C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574928694 949062216 /nfs/dbraw/zinc/06/22/16/949062216.db2.gz QWFLXEBFQNDNGO-NSHDSACASA-N 1 0 381.400 -0.575 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574928707 949063696 /nfs/dbraw/zinc/06/36/96/949063696.db2.gz RHIMVHWQKALVOQ-GFCCVEGCSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574928708 949065625 /nfs/dbraw/zinc/06/56/25/949065625.db2.gz RHIMVHWQKALVOQ-LBPRGKRZSA-N 1 0 377.424 -0.068 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574929023 949073318 /nfs/dbraw/zinc/07/33/18/949073318.db2.gz VYMSRXCAHAKHGX-LLVKDONJSA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574929024 949073928 /nfs/dbraw/zinc/07/39/28/949073928.db2.gz VYMSRXCAHAKHGX-NSHDSACASA-N 1 0 391.407 -0.541 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574929039 949071523 /nfs/dbraw/zinc/07/15/23/949071523.db2.gz WMQCXTYAGADERT-LLVKDONJSA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574929040 949074596 /nfs/dbraw/zinc/07/45/96/949074596.db2.gz WMQCXTYAGADERT-NSHDSACASA-N 1 0 390.423 -0.968 20 0 GBADRO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574929111 949077059 /nfs/dbraw/zinc/07/70/59/949077059.db2.gz YPHONYNCKPDDKZ-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574929112 949079258 /nfs/dbraw/zinc/07/92/58/949079258.db2.gz YPHONYNCKPDDKZ-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001574929187 949083140 /nfs/dbraw/zinc/08/31/40/949083140.db2.gz AOZDQLQATGCHQN-GFCCVEGCSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001574929188 949080192 /nfs/dbraw/zinc/08/01/92/949080192.db2.gz AOZDQLQATGCHQN-LBPRGKRZSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574929189 949082142 /nfs/dbraw/zinc/08/21/42/949082142.db2.gz AQAKBQODLVAKDY-LLVKDONJSA-N 1 0 384.400 -0.082 20 0 GBADRO C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574929190 949084319 /nfs/dbraw/zinc/08/43/19/949084319.db2.gz AQAKBQODLVAKDY-NSHDSACASA-N 1 0 384.400 -0.082 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574929269 949089209 /nfs/dbraw/zinc/08/92/09/949089209.db2.gz BRMKANOVGBCOFH-GFCCVEGCSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574929270 949085211 /nfs/dbraw/zinc/08/52/11/949085211.db2.gz BRMKANOVGBCOFH-LBPRGKRZSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574929563 949096655 /nfs/dbraw/zinc/09/66/55/949096655.db2.gz GLTKIGOXENCSNV-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574929565 949097909 /nfs/dbraw/zinc/09/79/09/949097909.db2.gz GLTKIGOXENCSNV-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574929566 949094604 /nfs/dbraw/zinc/09/46/04/949094604.db2.gz GLWIQCZBXDMUTD-LLVKDONJSA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574929567 949094494 /nfs/dbraw/zinc/09/44/94/949094494.db2.gz GLWIQCZBXDMUTD-NSHDSACASA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574929789 949101568 /nfs/dbraw/zinc/10/15/68/949101568.db2.gz HRVKDEGOGHSHNW-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574929791 949101133 /nfs/dbraw/zinc/10/11/33/949101133.db2.gz HRVKDEGOGHSHNW-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574930158 949103858 /nfs/dbraw/zinc/10/38/58/949103858.db2.gz JRABMINIUVDEKX-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574930161 949104381 /nfs/dbraw/zinc/10/43/81/949104381.db2.gz JRABMINIUVDEKX-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001574930211 949104979 /nfs/dbraw/zinc/10/49/79/949104979.db2.gz JWZFYTUCKFPMBE-GFCCVEGCSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001574930214 949106758 /nfs/dbraw/zinc/10/67/58/949106758.db2.gz JWZFYTUCKFPMBE-LBPRGKRZSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574931198 949115533 /nfs/dbraw/zinc/11/55/33/949115533.db2.gz OLWUNZZTFNJZIB-GFCCVEGCSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574931199 949118027 /nfs/dbraw/zinc/11/80/27/949118027.db2.gz OLWUNZZTFNJZIB-LBPRGKRZSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574931546 949121618 /nfs/dbraw/zinc/12/16/18/949121618.db2.gz QQDRCTZVRQKBSU-LLVKDONJSA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574931548 949122915 /nfs/dbraw/zinc/12/29/15/949122915.db2.gz QQDRCTZVRQKBSU-NSHDSACASA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1nccnc1-c1nn[nH]n1 ZINC001574932076 949128419 /nfs/dbraw/zinc/12/84/19/949128419.db2.gz UQQLKMOZKSFAMR-GFCCVEGCSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1nccnc1-c1nn[nH]n1 ZINC001574932077 949131170 /nfs/dbraw/zinc/13/11/70/949131170.db2.gz UQQLKMOZKSFAMR-LBPRGKRZSA-N 1 0 389.464 -0.068 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1nccnc1-c1nn[nH]n1 ZINC001574932187 949133782 /nfs/dbraw/zinc/13/37/82/949133782.db2.gz VORHGORSUXYXIB-GFCCVEGCSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1nccnc1-c1nn[nH]n1 ZINC001574932189 949133319 /nfs/dbraw/zinc/13/33/19/949133319.db2.gz VORHGORSUXYXIB-LBPRGKRZSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cncc(-c2nn[nH]n2)n1 ZINC001574932282 949134025 /nfs/dbraw/zinc/13/40/25/949134025.db2.gz XHZDGQQBBQZTFC-GFCCVEGCSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cncc(-c2nn[nH]n2)n1 ZINC001574932283 949135052 /nfs/dbraw/zinc/13/50/52/949135052.db2.gz XHZDGQQBBQZTFC-LBPRGKRZSA-N 1 0 389.464 -0.292 20 0 GBADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574932358 949143319 /nfs/dbraw/zinc/14/33/19/949143319.db2.gz YHHADQWKSKQSDR-LLVKDONJSA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574932359 949142805 /nfs/dbraw/zinc/14/28/05/949142805.db2.gz YHHADQWKSKQSDR-NSHDSACASA-N 1 0 375.437 -0.316 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934006 949145621 /nfs/dbraw/zinc/14/56/21/949145621.db2.gz AJWXKTBAZRKAGR-GFCCVEGCSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934007 949146392 /nfs/dbraw/zinc/14/63/92/949146392.db2.gz AJWXKTBAZRKAGR-LBPRGKRZSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934012 949146319 /nfs/dbraw/zinc/14/63/19/949146319.db2.gz AOTXWBFYQOQCGL-GFCCVEGCSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934014 949147660 /nfs/dbraw/zinc/14/76/60/949147660.db2.gz AOTXWBFYQOQCGL-LBPRGKRZSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@@H](CNC(=O)COCc1ccnn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934037 949146972 /nfs/dbraw/zinc/14/69/72/949146972.db2.gz ATJNFBUUUWLXBP-GFCCVEGCSA-N 1 0 385.432 -0.202 20 0 GBADRO C[C@H](CNC(=O)COCc1ccnn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934040 949144764 /nfs/dbraw/zinc/14/47/64/949144764.db2.gz ATJNFBUUUWLXBP-LBPRGKRZSA-N 1 0 385.432 -0.202 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934045 949146095 /nfs/dbraw/zinc/14/60/95/949146095.db2.gz AUYBCAKBGOWLKT-LLVKDONJSA-N 1 0 386.420 -0.452 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934047 949146825 /nfs/dbraw/zinc/14/68/25/949146825.db2.gz AUYBCAKBGOWLKT-NSHDSACASA-N 1 0 386.420 -0.452 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934277 949151101 /nfs/dbraw/zinc/15/11/01/949151101.db2.gz DDYOCQLKBFESTK-LLVKDONJSA-N 1 0 386.420 -0.807 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934279 949149489 /nfs/dbraw/zinc/14/94/89/949149489.db2.gz DDYOCQLKBFESTK-NSHDSACASA-N 1 0 386.420 -0.807 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934346 949155534 /nfs/dbraw/zinc/15/55/34/949155534.db2.gz FTVBFUTXPWRGAL-JTQLQIEISA-N 1 0 391.461 -0.132 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934347 949156260 /nfs/dbraw/zinc/15/62/60/949156260.db2.gz FTVBFUTXPWRGAL-SNVBAGLBSA-N 1 0 391.461 -0.132 20 0 GBADRO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934570 949168574 /nfs/dbraw/zinc/16/85/74/949168574.db2.gz LFHFSZRJAOFJGH-LLVKDONJSA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934571 949168395 /nfs/dbraw/zinc/16/83/95/949168395.db2.gz LFHFSZRJAOFJGH-NSHDSACASA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574934604 949168161 /nfs/dbraw/zinc/16/81/61/949168161.db2.gz LWJQRLPCUKPFMZ-LLVKDONJSA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574934605 949168445 /nfs/dbraw/zinc/16/84/45/949168445.db2.gz LWJQRLPCUKPFMZ-NSHDSACASA-N 1 0 381.462 -0.648 20 0 GBADRO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574934776 949180645 /nfs/dbraw/zinc/18/06/45/949180645.db2.gz QIIWAOZHZHFEEJ-GFCCVEGCSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574934777 949178725 /nfs/dbraw/zinc/17/87/25/949178725.db2.gz QIIWAOZHZHFEEJ-LBPRGKRZSA-N 1 0 385.432 -0.194 20 0 GBADRO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934824 949179754 /nfs/dbraw/zinc/17/97/54/949179754.db2.gz RYPJTAIRNKQFCR-JTQLQIEISA-N 1 0 382.450 -0.906 20 0 GBADRO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934825 949179020 /nfs/dbraw/zinc/17/90/20/949179020.db2.gz RYPJTAIRNKQFCR-SNVBAGLBSA-N 1 0 382.450 -0.906 20 0 GBADRO C[C@@H](CNC(=O)COCc1nccn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934938 949186947 /nfs/dbraw/zinc/18/69/47/949186947.db2.gz VNFPJAMDHDUPFB-GFCCVEGCSA-N 1 0 385.432 -0.202 20 0 GBADRO C[C@H](CNC(=O)COCc1nccn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934939 949188081 /nfs/dbraw/zinc/18/80/81/949188081.db2.gz VNFPJAMDHDUPFB-LBPRGKRZSA-N 1 0 385.432 -0.202 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574935066 949190156 /nfs/dbraw/zinc/19/01/56/949190156.db2.gz YKKMQEBUHOPZOD-LLVKDONJSA-N 1 0 381.462 -0.329 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574935067 949192853 /nfs/dbraw/zinc/19/28/53/949192853.db2.gz YKKMQEBUHOPZOD-NSHDSACASA-N 1 0 381.462 -0.329 20 0 GBADRO C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574935122 949195473 /nfs/dbraw/zinc/19/54/73/949195473.db2.gz ZTAJRJIQQGPWMS-JTQLQIEISA-N 1 0 381.462 -0.187 20 0 GBADRO C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574935123 949195246 /nfs/dbraw/zinc/19/52/46/949195246.db2.gz ZTAJRJIQQGPWMS-SNVBAGLBSA-N 1 0 381.462 -0.187 20 0 GBADRO C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938668 949247257 /nfs/dbraw/zinc/24/72/57/949247257.db2.gz YSTJETFGDVLOLG-LLVKDONJSA-N 1 0 380.412 -0.058 20 0 GBADRO C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938670 949247144 /nfs/dbraw/zinc/24/71/44/949247144.db2.gz YSTJETFGDVLOLG-NSHDSACASA-N 1 0 380.412 -0.058 20 0 GBADRO C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938746 949254565 /nfs/dbraw/zinc/25/45/65/949254565.db2.gz ZYYJXAHGTNNRFW-JTQLQIEISA-N 1 0 381.400 -0.663 20 0 GBADRO C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938748 949252024 /nfs/dbraw/zinc/25/20/24/949252024.db2.gz ZYYJXAHGTNNRFW-SNVBAGLBSA-N 1 0 381.400 -0.663 20 0 GBADRO C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574945797 949421426 /nfs/dbraw/zinc/42/14/26/949421426.db2.gz OHOQJDDWVFIBRA-JTQLQIEISA-N 1 0 382.432 -0.151 20 0 GBADRO C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574945798 949420870 /nfs/dbraw/zinc/42/08/70/949420870.db2.gz OHOQJDDWVFIBRA-SNVBAGLBSA-N 1 0 382.432 -0.151 20 0 GBADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948441 949462260 /nfs/dbraw/zinc/46/22/60/949462260.db2.gz IZYLPUDROASCFX-LLVKDONJSA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948445 949463458 /nfs/dbraw/zinc/46/34/58/949463458.db2.gz IZYLPUDROASCFX-NSHDSACASA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948741 949474017 /nfs/dbraw/zinc/47/40/17/949474017.db2.gz MGKQFVGAGMTZSU-LLVKDONJSA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948742 949473986 /nfs/dbraw/zinc/47/39/86/949473986.db2.gz MGKQFVGAGMTZSU-NSHDSACASA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948925 949477602 /nfs/dbraw/zinc/47/76/02/949477602.db2.gz OJERNIBCIXSUNT-LLVKDONJSA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948928 949478005 /nfs/dbraw/zinc/47/80/05/949478005.db2.gz OJERNIBCIXSUNT-NSHDSACASA-N 1 0 384.400 -0.577 20 0 GBADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574948940 949475696 /nfs/dbraw/zinc/47/56/96/949475696.db2.gz OMOYRQUPEOUVEP-JTQLQIEISA-N 1 0 385.388 -0.835 20 0 GBADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574948942 949478278 /nfs/dbraw/zinc/47/82/78/949478278.db2.gz OMOYRQUPEOUVEP-SNVBAGLBSA-N 1 0 385.388 -0.835 20 0 GBADRO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949065 949479912 /nfs/dbraw/zinc/47/99/12/949479912.db2.gz QCEQSNKYVUFGLQ-SECBINFHSA-N 1 0 390.429 -0.515 20 0 GBADRO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949066 949483165 /nfs/dbraw/zinc/48/31/65/949483165.db2.gz QCEQSNKYVUFGLQ-VIFPVBQESA-N 1 0 390.429 -0.515 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574949700 949506427 /nfs/dbraw/zinc/50/64/27/949506427.db2.gz AZQDGHKIBDDPNM-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574949701 949503935 /nfs/dbraw/zinc/50/39/35/949503935.db2.gz AZQDGHKIBDDPNM-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574949728 949508122 /nfs/dbraw/zinc/50/81/22/949508122.db2.gz BRARWXYGPPOWLD-GFCCVEGCSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574949729 949511128 /nfs/dbraw/zinc/51/11/28/949511128.db2.gz BRARWXYGPPOWLD-LBPRGKRZSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574949764 949512103 /nfs/dbraw/zinc/51/21/03/949512103.db2.gz CQBUKFYMVZBTFQ-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574949765 949509755 /nfs/dbraw/zinc/50/97/55/949509755.db2.gz CQBUKFYMVZBTFQ-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574949860 949515330 /nfs/dbraw/zinc/51/53/30/949515330.db2.gz FNGSVOTVBJVUMK-LLVKDONJSA-N 1 0 382.432 -0.229 20 0 GBADRO C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574949861 949513754 /nfs/dbraw/zinc/51/37/54/949513754.db2.gz FNGSVOTVBJVUMK-NSHDSACASA-N 1 0 382.432 -0.229 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949912 949518158 /nfs/dbraw/zinc/51/81/58/949518158.db2.gz HDIBTIZQKKVJJP-PELKAZGASA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949913 949518574 /nfs/dbraw/zinc/51/85/74/949518574.db2.gz HDIBTIZQKKVJJP-UFBFGSQYSA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949958 949525466 /nfs/dbraw/zinc/52/54/66/949525466.db2.gz IBZRHSQSCWBBAI-JTQLQIEISA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949959 949524617 /nfs/dbraw/zinc/52/46/17/949524617.db2.gz IBZRHSQSCWBBAI-SNVBAGLBSA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574949964 949525358 /nfs/dbraw/zinc/52/53/58/949525358.db2.gz IGXDKRPDWPIAHV-PELKAZGASA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574949965 949525324 /nfs/dbraw/zinc/52/53/24/949525324.db2.gz IGXDKRPDWPIAHV-UFBFGSQYSA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574950014 949525916 /nfs/dbraw/zinc/52/59/16/949525916.db2.gz JQTHFGORRLMJSN-JTQLQIEISA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574950015 949522473 /nfs/dbraw/zinc/52/24/73/949522473.db2.gz JQTHFGORRLMJSN-SNVBAGLBSA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574950030 949525733 /nfs/dbraw/zinc/52/57/33/949525733.db2.gz KAYCUFZGLVEJSQ-JTQLQIEISA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574950031 949525435 /nfs/dbraw/zinc/52/54/35/949525435.db2.gz KAYCUFZGLVEJSQ-SNVBAGLBSA-N 1 0 389.395 -0.805 20 0 GBADRO CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574950120 949530042 /nfs/dbraw/zinc/53/00/42/949530042.db2.gz LCOFJBFZOFZZLQ-LLVKDONJSA-N 1 0 385.436 -0.342 20 0 GBADRO CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574950122 949530796 /nfs/dbraw/zinc/53/07/96/949530796.db2.gz LCOFJBFZOFZZLQ-NSHDSACASA-N 1 0 385.436 -0.342 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574950174 949527928 /nfs/dbraw/zinc/52/79/28/949527928.db2.gz MDVJEKDCWWJNLC-PELKAZGASA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574950176 949529864 /nfs/dbraw/zinc/52/98/64/949529864.db2.gz MDVJEKDCWWJNLC-UFBFGSQYSA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574950686 949545325 /nfs/dbraw/zinc/54/53/25/949545325.db2.gz RVKXRASPYNVNSF-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574950687 949542048 /nfs/dbraw/zinc/54/20/48/949542048.db2.gz RVKXRASPYNVNSF-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574950690 949544447 /nfs/dbraw/zinc/54/44/47/949544447.db2.gz SCQDRUZLWZYDCM-SCZZXKLOSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574950691 949544199 /nfs/dbraw/zinc/54/41/99/949544199.db2.gz SCQDRUZLWZYDCM-WPRPVWTQSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574950784 949543362 /nfs/dbraw/zinc/54/33/62/949543362.db2.gz UFLZHEXJACMONP-PELKAZGASA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574950786 949542455 /nfs/dbraw/zinc/54/24/55/949542455.db2.gz UFLZHEXJACMONP-UFBFGSQYSA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574951040 949554493 /nfs/dbraw/zinc/55/44/93/949554493.db2.gz WZLLILSYQFXKPC-PELKAZGASA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574951041 949553398 /nfs/dbraw/zinc/55/33/98/949553398.db2.gz WZLLILSYQFXKPC-UFBFGSQYSA-N 1 0 390.379 -0.802 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574951229 949553597 /nfs/dbraw/zinc/55/35/97/949553597.db2.gz XXDUXUYFBVPKPB-SECBINFHSA-N 1 0 377.434 -0.882 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574951243 949552119 /nfs/dbraw/zinc/55/21/19/949552119.db2.gz XXDUXUYFBVPKPB-VIFPVBQESA-N 1 0 377.434 -0.882 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574951287 949553834 /nfs/dbraw/zinc/55/38/34/949553834.db2.gz YHWAHDVYYCGALY-JTQLQIEISA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574951288 949551587 /nfs/dbraw/zinc/55/15/87/949551587.db2.gz YHWAHDVYYCGALY-SNVBAGLBSA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574951305 949552447 /nfs/dbraw/zinc/55/24/47/949552447.db2.gz YPVGTFBEOAEYRY-APPZFPTMSA-N 1 0 378.418 -0.879 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574951307 949553546 /nfs/dbraw/zinc/55/35/46/949553546.db2.gz YPVGTFBEOAEYRY-CBAPKCEASA-N 1 0 378.418 -0.879 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574951334 949555716 /nfs/dbraw/zinc/55/57/16/949555716.db2.gz ZGIJPNFYXRALOI-JTQLQIEISA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574951335 949557789 /nfs/dbraw/zinc/55/77/89/949557789.db2.gz ZGIJPNFYXRALOI-SNVBAGLBSA-N 1 0 389.395 -0.805 20 0 GBADRO C[C@H](NC(N)=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957639 949624192 /nfs/dbraw/zinc/62/41/92/949624192.db2.gz DFGPPLPSNVRHDD-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957640 949622114 /nfs/dbraw/zinc/62/21/14/949622114.db2.gz DFGPPLPSNVRHDD-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](NC(N)=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957803 949632266 /nfs/dbraw/zinc/63/22/66/949632266.db2.gz ISEDBCCBVMZXPQ-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957804 949631398 /nfs/dbraw/zinc/63/13/98/949631398.db2.gz ISEDBCCBVMZXPQ-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958807 949693210 /nfs/dbraw/zinc/69/32/10/949693210.db2.gz WUAXMOUQEBRLCW-LMOYCYGVSA-N 1 0 387.444 -0.101 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958812 949695258 /nfs/dbraw/zinc/69/52/58/949695258.db2.gz WUAXMOUQEBRLCW-WFGGJUAMSA-N 1 0 387.444 -0.101 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574962579 949740909 /nfs/dbraw/zinc/74/09/09/949740909.db2.gz CDUOWQIQIRAXHI-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574962580 949740585 /nfs/dbraw/zinc/74/05/85/949740585.db2.gz CDUOWQIQIRAXHI-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574963379 949756416 /nfs/dbraw/zinc/75/64/16/949756416.db2.gz JFVCOSQIOXFIDJ-BIGNPOOSSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574963380 949754595 /nfs/dbraw/zinc/75/45/95/949754595.db2.gz JFVCOSQIOXFIDJ-QCZZGDTMSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574963777 949758362 /nfs/dbraw/zinc/75/83/62/949758362.db2.gz MZBIAVLXEDYTMD-BIGNPOOSSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574963778 949761459 /nfs/dbraw/zinc/76/14/59/949761459.db2.gz MZBIAVLXEDYTMD-QCZZGDTMSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574963971 949760603 /nfs/dbraw/zinc/76/06/03/949760603.db2.gz NPHXAXHTUSJCTK-BIGNPOOSSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574963973 949760960 /nfs/dbraw/zinc/76/09/60/949760960.db2.gz NPHXAXHTUSJCTK-QCZZGDTMSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574963987 949759660 /nfs/dbraw/zinc/75/96/60/949759660.db2.gz NWGJRDMQDOSRNI-BIGNPOOSSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574963989 949757734 /nfs/dbraw/zinc/75/77/34/949757734.db2.gz NWGJRDMQDOSRNI-QCZZGDTMSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574964198 949769903 /nfs/dbraw/zinc/76/99/03/949769903.db2.gz RTTHAAMGVZNTHX-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574964199 949770247 /nfs/dbraw/zinc/77/02/47/949770247.db2.gz RTTHAAMGVZNTHX-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964426 949775572 /nfs/dbraw/zinc/77/55/72/949775572.db2.gz WIHNYZFHFZVJNE-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574964427 949777514 /nfs/dbraw/zinc/77/75/14/949777514.db2.gz WIHNYZFHFZVJNE-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574964477 949781539 /nfs/dbraw/zinc/78/15/39/949781539.db2.gz XFJOVFKIXGGWFN-BIGNPOOSSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574964479 949782932 /nfs/dbraw/zinc/78/29/32/949782932.db2.gz XFJOVFKIXGGWFN-QCZZGDTMSA-N 1 0 391.407 -0.367 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975656 950039424 /nfs/dbraw/zinc/03/94/24/950039424.db2.gz IXYGAHZCWFPMAO-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574975659 950038723 /nfs/dbraw/zinc/03/87/23/950038723.db2.gz IXYGAHZCWFPMAO-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001574976564 950084716 /nfs/dbraw/zinc/08/47/16/950084716.db2.gz VOGWZWCAUWFXLP-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001574976565 950085076 /nfs/dbraw/zinc/08/50/76/950085076.db2.gz VOGWZWCAUWFXLP-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1nncs1 ZINC001574976816 950100639 /nfs/dbraw/zinc/10/06/39/950100639.db2.gz BQWQGWNQGMIVKU-SSDOTTSWSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)Nc1nncs1 ZINC001574976817 950101586 /nfs/dbraw/zinc/10/15/86/950101586.db2.gz BQWQGWNQGMIVKU-ZETCQYMHSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NCc1cccnc1 ZINC001574976826 950100045 /nfs/dbraw/zinc/10/00/45/950100045.db2.gz BRYXCJCLEXRXMU-LLVKDONJSA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NCc1cccnc1 ZINC001574976827 950102302 /nfs/dbraw/zinc/10/23/02/950102302.db2.gz BRYXCJCLEXRXMU-NSHDSACASA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976836 950101428 /nfs/dbraw/zinc/10/14/28/950101428.db2.gz BXMSTTKBHJHZKN-PSASIEDQSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976837 950100852 /nfs/dbraw/zinc/10/08/52/950100852.db2.gz BXMSTTKBHJHZKN-SCZZXKLOSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574976838 950101530 /nfs/dbraw/zinc/10/15/30/950101530.db2.gz BXMSTTKBHJHZKN-WCBMZHEXSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574976839 950101143 /nfs/dbraw/zinc/10/11/43/950101143.db2.gz BXMSTTKBHJHZKN-WPRPVWTQSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001574976993 950108106 /nfs/dbraw/zinc/10/81/06/950108106.db2.gz FBKRGMSDESFJOJ-SECBINFHSA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001574976994 950107555 /nfs/dbraw/zinc/10/75/55/950107555.db2.gz FBKRGMSDESFJOJ-VIFPVBQESA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977112 950112590 /nfs/dbraw/zinc/11/25/90/950112590.db2.gz HFZIYFALICHJJE-GHMZBOCLSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977113 950112326 /nfs/dbraw/zinc/11/23/26/950112326.db2.gz HFZIYFALICHJJE-MNOVXSKESA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574977114 950111538 /nfs/dbraw/zinc/11/15/38/950111538.db2.gz HFZIYFALICHJJE-QWRGUYRKSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574977115 950111911 /nfs/dbraw/zinc/11/19/11/950111911.db2.gz HFZIYFALICHJJE-WDEREUQCSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001574977118 950114468 /nfs/dbraw/zinc/11/44/68/950114468.db2.gz HNZDQZDVUOEOHM-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001574977119 950112013 /nfs/dbraw/zinc/11/20/13/950112013.db2.gz HNZDQZDVUOEOHM-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977248 950112453 /nfs/dbraw/zinc/11/24/53/950112453.db2.gz IHJBJIORMHQJFN-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574977249 950113462 /nfs/dbraw/zinc/11/34/62/950113462.db2.gz IHJBJIORMHQJFN-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574977283 950118747 /nfs/dbraw/zinc/11/87/47/950118747.db2.gz JMRBLAXNNYHONV-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574977284 950116798 /nfs/dbraw/zinc/11/67/98/950116798.db2.gz JMRBLAXNNYHONV-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574977299 950119275 /nfs/dbraw/zinc/11/92/75/950119275.db2.gz JTKPFHDDXGQHOJ-CMPLNLGQSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574977300 950118249 /nfs/dbraw/zinc/11/82/49/950118249.db2.gz JTKPFHDDXGQHOJ-JQWIXIFHSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574977301 950116125 /nfs/dbraw/zinc/11/61/25/950116125.db2.gz JTKPFHDDXGQHOJ-PWSUYJOCSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574977302 950118564 /nfs/dbraw/zinc/11/85/64/950118564.db2.gz JTKPFHDDXGQHOJ-ZYHUDNBSSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001574977607 950121868 /nfs/dbraw/zinc/12/18/68/950121868.db2.gz MHQZLXLIBFLQKK-NXEZZACHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001574977608 950123445 /nfs/dbraw/zinc/12/34/45/950123445.db2.gz MHQZLXLIBFLQKK-UWVGGRQHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)Nc1ncccn1 ZINC001574977609 950120269 /nfs/dbraw/zinc/12/02/69/950120269.db2.gz MHQZLXLIBFLQKK-VHSXEESVSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001574977610 950123372 /nfs/dbraw/zinc/12/33/72/950123372.db2.gz MHQZLXLIBFLQKK-ZJUUUORDSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574977683 950124903 /nfs/dbraw/zinc/12/49/03/950124903.db2.gz NHQNDQHEHFFANJ-GHMZBOCLSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574977689 950125387 /nfs/dbraw/zinc/12/53/87/950125387.db2.gz NHQNDQHEHFFANJ-MNOVXSKESA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001574977691 950125173 /nfs/dbraw/zinc/12/51/73/950125173.db2.gz NHQNDQHEHFFANJ-QWRGUYRKSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001574977693 950126027 /nfs/dbraw/zinc/12/60/27/950126027.db2.gz NHQNDQHEHFFANJ-WDEREUQCSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574978110 950133482 /nfs/dbraw/zinc/13/34/82/950133482.db2.gz QTTOYBWANBGQAT-JTQLQIEISA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574978111 950135841 /nfs/dbraw/zinc/13/58/41/950135841.db2.gz QTTOYBWANBGQAT-SNVBAGLBSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574978721 950144018 /nfs/dbraw/zinc/14/40/18/950144018.db2.gz VLGBBYMKRFJFKA-GHMZBOCLSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574978722 950144044 /nfs/dbraw/zinc/14/40/44/950144044.db2.gz VLGBBYMKRFJFKA-MNOVXSKESA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574978723 950142747 /nfs/dbraw/zinc/14/27/47/950142747.db2.gz VLGBBYMKRFJFKA-QWRGUYRKSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574978724 950142440 /nfs/dbraw/zinc/14/24/40/950142440.db2.gz VLGBBYMKRFJFKA-WDEREUQCSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990406 950371719 /nfs/dbraw/zinc/37/17/19/950371719.db2.gz BOEZQNFJTAUURK-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574990407 950369740 /nfs/dbraw/zinc/36/97/40/950369740.db2.gz BOEZQNFJTAUURK-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001574990672 950378008 /nfs/dbraw/zinc/37/80/08/950378008.db2.gz FANKQJUMXSMJSL-AAEUAGOBSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001574990675 950376984 /nfs/dbraw/zinc/37/69/84/950376984.db2.gz FANKQJUMXSMJSL-YPMHNXCESA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992359 950439769 /nfs/dbraw/zinc/43/97/69/950439769.db2.gz ASFQCVMLHIHRHD-PSASIEDQSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992360 950440022 /nfs/dbraw/zinc/44/00/22/950440022.db2.gz ASFQCVMLHIHRHD-SCZZXKLOSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001574992361 950441033 /nfs/dbraw/zinc/44/10/33/950441033.db2.gz ASFQCVMLHIHRHD-WCBMZHEXSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001574992362 950440476 /nfs/dbraw/zinc/44/04/76/950440476.db2.gz ASFQCVMLHIHRHD-WPRPVWTQSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992375 950445748 /nfs/dbraw/zinc/44/57/48/950445748.db2.gz BBMWNXUTJRAHCT-GHMZBOCLSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992376 950447142 /nfs/dbraw/zinc/44/71/42/950447142.db2.gz BBMWNXUTJRAHCT-MNOVXSKESA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001574992377 950447050 /nfs/dbraw/zinc/44/70/50/950447050.db2.gz BBMWNXUTJRAHCT-QWRGUYRKSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001574992378 950444939 /nfs/dbraw/zinc/44/49/39/950444939.db2.gz BBMWNXUTJRAHCT-WDEREUQCSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992495 950448570 /nfs/dbraw/zinc/44/85/70/950448570.db2.gz DPZBYLVNQJIYFQ-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001574992496 950448960 /nfs/dbraw/zinc/44/89/60/950448960.db2.gz DPZBYLVNQJIYFQ-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001574992635 950455857 /nfs/dbraw/zinc/45/58/57/950455857.db2.gz FUMZRDXSINXBGZ-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001574992636 950456197 /nfs/dbraw/zinc/45/61/97/950456197.db2.gz FUMZRDXSINXBGZ-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001574992697 950453114 /nfs/dbraw/zinc/45/31/14/950453114.db2.gz HJYZFOXRDJOIDK-HTQZYQBOSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)NCC(F)(F)F ZINC001574992698 950456180 /nfs/dbraw/zinc/45/61/80/950456180.db2.gz HJYZFOXRDJOIDK-JGVFFNPUSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001574992699 950453379 /nfs/dbraw/zinc/45/33/79/950453379.db2.gz HJYZFOXRDJOIDK-SFYZADRCSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001574992700 950453052 /nfs/dbraw/zinc/45/30/52/950453052.db2.gz HJYZFOXRDJOIDK-YUMQZZPRSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574993023 950460187 /nfs/dbraw/zinc/46/01/87/950460187.db2.gz IFPMBRXTQKXYDC-GHMZBOCLSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574993027 950459102 /nfs/dbraw/zinc/45/91/02/950459102.db2.gz IFPMBRXTQKXYDC-MNOVXSKESA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001574993030 950458480 /nfs/dbraw/zinc/45/84/80/950458480.db2.gz IFPMBRXTQKXYDC-QWRGUYRKSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001574993035 950459461 /nfs/dbraw/zinc/45/94/61/950459461.db2.gz IFPMBRXTQKXYDC-WDEREUQCSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001574993570 950463573 /nfs/dbraw/zinc/46/35/73/950463573.db2.gz LFSTZOGKOBQMGB-BDAKNGLRSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)NC(=O)NC1CC1 ZINC001574993572 950464909 /nfs/dbraw/zinc/46/49/09/950464909.db2.gz LFSTZOGKOBQMGB-DTWKUNHWSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001574993575 950461820 /nfs/dbraw/zinc/46/18/20/950461820.db2.gz LFSTZOGKOBQMGB-IUCAKERBSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001574993577 950464340 /nfs/dbraw/zinc/46/43/40/950464340.db2.gz LFSTZOGKOBQMGB-RKDXNWHRSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993975 950472819 /nfs/dbraw/zinc/47/28/19/950472819.db2.gz ODYXBPBQULXCPI-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001574993976 950470413 /nfs/dbraw/zinc/47/04/13/950470413.db2.gz ODYXBPBQULXCPI-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001574994478 950481233 /nfs/dbraw/zinc/48/12/33/950481233.db2.gz RVZTWKRKVQJZOC-SECBINFHSA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001574994479 950481118 /nfs/dbraw/zinc/48/11/18/950481118.db2.gz RVZTWKRKVQJZOC-VIFPVBQESA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001574994562 950488404 /nfs/dbraw/zinc/48/84/04/950488404.db2.gz UHPBIBBNIVNRBD-NXEZZACHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001574994563 950488252 /nfs/dbraw/zinc/48/82/52/950488252.db2.gz UHPBIBBNIVNRBD-UWVGGRQHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)Nc1ncccn1 ZINC001574994564 950489540 /nfs/dbraw/zinc/48/95/40/950489540.db2.gz UHPBIBBNIVNRBD-VHSXEESVSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001574994565 950487547 /nfs/dbraw/zinc/48/75/47/950487547.db2.gz UHPBIBBNIVNRBD-ZJUUUORDSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574994580 950489685 /nfs/dbraw/zinc/48/96/85/950489685.db2.gz VACJELIZJGKPJV-CMPLNLGQSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574994581 950489434 /nfs/dbraw/zinc/48/94/34/950489434.db2.gz VACJELIZJGKPJV-JQWIXIFHSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001574994582 950489603 /nfs/dbraw/zinc/48/96/03/950489603.db2.gz VACJELIZJGKPJV-PWSUYJOCSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001574994583 950489074 /nfs/dbraw/zinc/48/90/74/950489074.db2.gz VACJELIZJGKPJV-ZYHUDNBSSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574994606 950489148 /nfs/dbraw/zinc/48/91/48/950489148.db2.gz VRFDIUDFJMEYRA-JTQLQIEISA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001574994607 950489185 /nfs/dbraw/zinc/48/91/85/950489185.db2.gz VRFDIUDFJMEYRA-SNVBAGLBSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574994653 950488765 /nfs/dbraw/zinc/48/87/65/950488765.db2.gz WAWIMEQJYZQTNI-SSDOTTSWSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001574994654 950489780 /nfs/dbraw/zinc/48/97/80/950489780.db2.gz WAWIMEQJYZQTNI-ZETCQYMHSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NCc1cccnc1 ZINC001574994779 950492449 /nfs/dbraw/zinc/49/24/49/950492449.db2.gz YFAKWXAVJCDPIK-LLVKDONJSA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CC(=O)NCc1cccnc1 ZINC001574995271 950503118 /nfs/dbraw/zinc/50/31/18/950503118.db2.gz YFAKWXAVJCDPIK-NSHDSACASA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995357 950506320 /nfs/dbraw/zinc/50/63/20/950506320.db2.gz YYNAJXWQUVGBBC-JTQLQIEISA-N 1 0 387.452 -0.113 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001574995359 950508075 /nfs/dbraw/zinc/50/80/75/950508075.db2.gz YYNAJXWQUVGBBC-SNVBAGLBSA-N 1 0 387.452 -0.113 20 0 GBADRO C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574999655 950585125 /nfs/dbraw/zinc/58/51/25/950585125.db2.gz LFEKFTRRSFHINF-JTQLQIEISA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574999656 950583929 /nfs/dbraw/zinc/58/39/29/950583929.db2.gz LFEKFTRRSFHINF-SNVBAGLBSA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001575011697 950858595 /nfs/dbraw/zinc/85/85/95/950858595.db2.gz RFJKUKHRVUQETM-NEPJUHHUSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001575011698 950858783 /nfs/dbraw/zinc/85/87/83/950858783.db2.gz RFJKUKHRVUQETM-RYUDHWBXSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001575017013 950970949 /nfs/dbraw/zinc/97/09/49/950970949.db2.gz GAOQTLCNYVDJPQ-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001575017014 950974496 /nfs/dbraw/zinc/97/44/96/950974496.db2.gz GAOQTLCNYVDJPQ-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001575017093 950978135 /nfs/dbraw/zinc/97/81/35/950978135.db2.gz HHIROROGPZUECD-SECBINFHSA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001575017094 950977412 /nfs/dbraw/zinc/97/74/12/950977412.db2.gz HHIROROGPZUECD-VIFPVBQESA-N 1 0 391.436 -0.473 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001575017211 950982196 /nfs/dbraw/zinc/98/21/96/950982196.db2.gz HVQHCLMTMZKALF-GHMZBOCLSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001575017212 950980402 /nfs/dbraw/zinc/98/04/02/950980402.db2.gz HVQHCLMTMZKALF-MNOVXSKESA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001575017213 950982530 /nfs/dbraw/zinc/98/25/30/950982530.db2.gz HVQHCLMTMZKALF-QWRGUYRKSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001575017214 950980910 /nfs/dbraw/zinc/98/09/10/950980910.db2.gz HVQHCLMTMZKALF-WDEREUQCSA-N 1 0 376.421 -0.850 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001575017329 950990400 /nfs/dbraw/zinc/99/04/00/950990400.db2.gz JXXNVANZNQAMJW-NXEZZACHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001575017330 950991224 /nfs/dbraw/zinc/99/12/24/950991224.db2.gz JXXNVANZNQAMJW-UWVGGRQHSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)Nc1ncccn1 ZINC001575017332 950991860 /nfs/dbraw/zinc/99/18/60/950991860.db2.gz JXXNVANZNQAMJW-VHSXEESVSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001575017334 950990091 /nfs/dbraw/zinc/99/00/91/950990091.db2.gz JXXNVANZNQAMJW-ZJUUUORDSA-N 1 0 384.404 -0.280 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575017352 950992235 /nfs/dbraw/zinc/99/22/35/950992235.db2.gz KBUQJDMWQUOCBJ-GHMZBOCLSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575017354 950988899 /nfs/dbraw/zinc/98/88/99/950988899.db2.gz KBUQJDMWQUOCBJ-MNOVXSKESA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575017356 950989365 /nfs/dbraw/zinc/98/93/65/950989365.db2.gz KBUQJDMWQUOCBJ-QWRGUYRKSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575017358 950991702 /nfs/dbraw/zinc/99/17/02/950991702.db2.gz KBUQJDMWQUOCBJ-WDEREUQCSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nccs1 ZINC001575017591 951002718 /nfs/dbraw/zinc/00/27/18/951002718.db2.gz MCQNEJPTKXJSLU-MRVPVSSYSA-N 1 0 375.418 -0.002 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nccs1 ZINC001575017592 951003004 /nfs/dbraw/zinc/00/30/04/951003004.db2.gz MCQNEJPTKXJSLU-QMMMGPOBSA-N 1 0 375.418 -0.002 20 0 GBADRO C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017672 951008056 /nfs/dbraw/zinc/00/80/56/951008056.db2.gz IQTKYIHLSJXBTQ-JTQLQIEISA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017675 951008370 /nfs/dbraw/zinc/00/83/70/951008370.db2.gz IQTKYIHLSJXBTQ-SNVBAGLBSA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017794 951011818 /nfs/dbraw/zinc/01/18/18/951011818.db2.gz NSDAQYDBRZEZSK-GHMZBOCLSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017796 951012326 /nfs/dbraw/zinc/01/23/26/951012326.db2.gz NSDAQYDBRZEZSK-MNOVXSKESA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001575017799 951013416 /nfs/dbraw/zinc/01/34/16/951013416.db2.gz NSDAQYDBRZEZSK-QWRGUYRKSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001575017801 951012758 /nfs/dbraw/zinc/01/27/58/951012758.db2.gz NSDAQYDBRZEZSK-WDEREUQCSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001575017875 951011598 /nfs/dbraw/zinc/01/15/98/951011598.db2.gz OFCSIQQKEZICHD-SSDOTTSWSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)Nc1nncs1 ZINC001575017877 951012410 /nfs/dbraw/zinc/01/24/10/951012410.db2.gz OFCSIQQKEZICHD-ZETCQYMHSA-N 1 0 376.406 -0.607 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001575017882 951011207 /nfs/dbraw/zinc/01/12/07/951011207.db2.gz OKLWSVQVNXBWGJ-HTQZYQBOSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)NCC(F)(F)F ZINC001575017883 951013264 /nfs/dbraw/zinc/01/32/64/951013264.db2.gz OKLWSVQVNXBWGJ-JGVFFNPUSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001575017884 951012522 /nfs/dbraw/zinc/01/25/22/951012522.db2.gz OKLWSVQVNXBWGJ-SFYZADRCSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001575017886 951012076 /nfs/dbraw/zinc/01/20/76/951012076.db2.gz OKLWSVQVNXBWGJ-YUMQZZPRSA-N 1 0 388.354 -0.030 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017892 951013225 /nfs/dbraw/zinc/01/32/25/951013225.db2.gz OKQDMJXBTWNZDA-GHMZBOCLSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017893 951012678 /nfs/dbraw/zinc/01/26/78/951012678.db2.gz OKQDMJXBTWNZDA-MNOVXSKESA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001575017895 951011553 /nfs/dbraw/zinc/01/15/53/951011553.db2.gz OKQDMJXBTWNZDA-QWRGUYRKSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001575017897 951013053 /nfs/dbraw/zinc/01/30/53/951013053.db2.gz OKQDMJXBTWNZDA-WDEREUQCSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018208 951019874 /nfs/dbraw/zinc/01/98/74/951019874.db2.gz ONJFJVBKPICZRU-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001575018211 951018614 /nfs/dbraw/zinc/01/86/14/951018614.db2.gz ONJFJVBKPICZRU-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001575018808 951025757 /nfs/dbraw/zinc/02/57/57/951025757.db2.gz QPHXIFWIXXOPJI-JTQLQIEISA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001575018810 951025218 /nfs/dbraw/zinc/02/52/18/951025218.db2.gz QPHXIFWIXXOPJI-SNVBAGLBSA-N 1 0 376.421 -0.802 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001575018846 951027785 /nfs/dbraw/zinc/02/77/85/951027785.db2.gz RALVWYZIIGPFMX-BDAKNGLRSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)NC(=O)NC1CC1 ZINC001575018847 951028711 /nfs/dbraw/zinc/02/87/11/951028711.db2.gz RALVWYZIIGPFMX-DTWKUNHWSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001575018848 951028223 /nfs/dbraw/zinc/02/82/23/951028223.db2.gz RALVWYZIIGPFMX-IUCAKERBSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001575018850 951027247 /nfs/dbraw/zinc/02/72/47/951027247.db2.gz RALVWYZIIGPFMX-RKDXNWHRSA-N 1 0 389.420 -0.721 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575018975 951028063 /nfs/dbraw/zinc/02/80/63/951028063.db2.gz RZBUOIGMXXFUHQ-GHMZBOCLSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575018977 951028464 /nfs/dbraw/zinc/02/84/64/951028464.db2.gz RZBUOIGMXXFUHQ-MNOVXSKESA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575018979 951029062 /nfs/dbraw/zinc/02/90/62/951029062.db2.gz RZBUOIGMXXFUHQ-QWRGUYRKSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575018981 951028772 /nfs/dbraw/zinc/02/87/72/951028772.db2.gz RZBUOIGMXXFUHQ-WDEREUQCSA-N 1 0 376.421 -0.945 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NCc1cccnc1 ZINC001575019514 951039505 /nfs/dbraw/zinc/03/95/05/951039505.db2.gz UVTRNMVVEGIPKX-LLVKDONJSA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)NCc1cccnc1 ZINC001575019516 951040984 /nfs/dbraw/zinc/04/09/84/951040984.db2.gz UVTRNMVVEGIPKX-NSHDSACASA-N 1 0 383.416 -0.386 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019719 951044972 /nfs/dbraw/zinc/04/49/72/951044972.db2.gz VGONQKVHCGRWCI-BDAKNGLRSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019722 951044072 /nfs/dbraw/zinc/04/40/72/951044072.db2.gz VGONQKVHCGRWCI-DTWKUNHWSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)COCC(F)(F)F ZINC001575019725 951043489 /nfs/dbraw/zinc/04/34/89/951043489.db2.gz VGONQKVHCGRWCI-IUCAKERBSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001575019728 951043460 /nfs/dbraw/zinc/04/34/60/951043460.db2.gz VGONQKVHCGRWCI-RKDXNWHRSA-N 1 0 391.354 -0.158 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001575020322 951056439 /nfs/dbraw/zinc/05/64/39/951056439.db2.gz YUCCQQYNXCJRMU-JTQLQIEISA-N 1 0 387.452 -0.113 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001575020323 951058200 /nfs/dbraw/zinc/05/82/00/951058200.db2.gz YUCCQQYNXCJRMU-SNVBAGLBSA-N 1 0 387.452 -0.113 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001575020436 951058159 /nfs/dbraw/zinc/05/81/59/951058159.db2.gz ZOLLDRNSPLCMLO-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001575020438 951058067 /nfs/dbraw/zinc/05/80/67/951058067.db2.gz ZOLLDRNSPLCMLO-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025311 951128713 /nfs/dbraw/zinc/12/87/13/951128713.db2.gz XRRYXNLWODCBOP-SECBINFHSA-N 1 0 391.413 -0.090 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025312 951128514 /nfs/dbraw/zinc/12/85/14/951128514.db2.gz XRRYXNLWODCBOP-VIFPVBQESA-N 1 0 391.413 -0.090 20 0 GBADRO C[C@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028074 951168327 /nfs/dbraw/zinc/16/83/27/951168327.db2.gz UIQNXXKBYPKXIM-JTQLQIEISA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028075 951166806 /nfs/dbraw/zinc/16/68/06/951166806.db2.gz UIQNXXKBYPKXIM-SNVBAGLBSA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032253 951220852 /nfs/dbraw/zinc/22/08/52/951220852.db2.gz VCCSGHGWPTVLAW-JTQLQIEISA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032254 951221095 /nfs/dbraw/zinc/22/10/95/951221095.db2.gz VCCSGHGWPTVLAW-SNVBAGLBSA-N 1 0 381.400 -0.345 20 0 GBADRO C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575033992 951235991 /nfs/dbraw/zinc/23/59/91/951235991.db2.gz GGOMQBASCNQSHF-SECBINFHSA-N 1 0 379.384 -0.196 20 0 GBADRO C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575033993 951235776 /nfs/dbraw/zinc/23/57/76/951235776.db2.gz GGOMQBASCNQSHF-VIFPVBQESA-N 1 0 379.384 -0.196 20 0 GBADRO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575034358 951245279 /nfs/dbraw/zinc/24/52/79/951245279.db2.gz AYTRAIOENHZARK-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575034360 951243170 /nfs/dbraw/zinc/24/31/70/951243170.db2.gz AYTRAIOENHZARK-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575036718 951300899 /nfs/dbraw/zinc/30/08/99/951300899.db2.gz WSERPZUZCQYDSI-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575036719 951301418 /nfs/dbraw/zinc/30/14/18/951301418.db2.gz WSERPZUZCQYDSI-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575040560 951346958 /nfs/dbraw/zinc/34/69/58/951346958.db2.gz YLAUHQJFMUONTI-JTQLQIEISA-N 1 0 384.400 -0.218 20 0 GBADRO C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575040561 951345078 /nfs/dbraw/zinc/34/50/78/951345078.db2.gz YLAUHQJFMUONTI-SNVBAGLBSA-N 1 0 384.400 -0.218 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575042307 951358442 /nfs/dbraw/zinc/35/84/42/951358442.db2.gz ICIXTFPQEIPSHZ-JTQLQIEISA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575042308 951358160 /nfs/dbraw/zinc/35/81/60/951358160.db2.gz ICIXTFPQEIPSHZ-SNVBAGLBSA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043040 951378917 /nfs/dbraw/zinc/37/89/17/951378917.db2.gz NTVAYHVTRNTTRA-SECBINFHSA-N 1 0 376.446 -0.127 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043045 951381204 /nfs/dbraw/zinc/38/12/04/951381204.db2.gz NTVAYHVTRNTTRA-VIFPVBQESA-N 1 0 376.446 -0.127 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575043112 951383339 /nfs/dbraw/zinc/38/33/39/951383339.db2.gz PDBXXFKRMQELEP-JTQLQIEISA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575043113 951383316 /nfs/dbraw/zinc/38/33/16/951383316.db2.gz PDBXXFKRMQELEP-SNVBAGLBSA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043243 951385292 /nfs/dbraw/zinc/38/52/92/951385292.db2.gz PJOINQGTKBRJAE-JTQLQIEISA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043247 951385852 /nfs/dbraw/zinc/38/58/52/951385852.db2.gz PJOINQGTKBRJAE-SNVBAGLBSA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043352 951391099 /nfs/dbraw/zinc/39/10/99/951391099.db2.gz QVQDCGSFXYJPFM-MRVPVSSYSA-N 1 0 390.429 -0.364 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043353 951390019 /nfs/dbraw/zinc/39/00/19/951390019.db2.gz QVQDCGSFXYJPFM-QMMMGPOBSA-N 1 0 390.429 -0.364 20 0 GBADRO C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043386 951390050 /nfs/dbraw/zinc/39/00/50/951390050.db2.gz IGGKKUXQAFFPRM-LLVKDONJSA-N 1 0 383.416 -0.112 20 0 GBADRO C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043387 951390229 /nfs/dbraw/zinc/39/02/29/951390229.db2.gz IGGKKUXQAFFPRM-NSHDSACASA-N 1 0 383.416 -0.112 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043506 951397057 /nfs/dbraw/zinc/39/70/57/951397057.db2.gz SHOGCAQIRBJAMY-JTQLQIEISA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043507 951397294 /nfs/dbraw/zinc/39/72/94/951397294.db2.gz SHOGCAQIRBJAMY-SNVBAGLBSA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043518 951397376 /nfs/dbraw/zinc/39/73/76/951397376.db2.gz SQLPEFMCCWKIBO-JTQLQIEISA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043519 951397985 /nfs/dbraw/zinc/39/79/85/951397985.db2.gz SQLPEFMCCWKIBO-SNVBAGLBSA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575043548 951397683 /nfs/dbraw/zinc/39/76/83/951397683.db2.gz UDQKIJXRXYTIPH-JTQLQIEISA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575043549 951396608 /nfs/dbraw/zinc/39/66/08/951396608.db2.gz UDQKIJXRXYTIPH-SNVBAGLBSA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575044234 951410428 /nfs/dbraw/zinc/41/04/28/951410428.db2.gz YCDTUTPXGPWPBL-JTQLQIEISA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575044237 951409768 /nfs/dbraw/zinc/40/97/68/951409768.db2.gz YCDTUTPXGPWPBL-SNVBAGLBSA-N 1 0 388.407 -0.049 20 0 GBADRO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575044326 951413121 /nfs/dbraw/zinc/41/31/21/951413121.db2.gz YURDNNINUMQGEY-JTQLQIEISA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575044329 951414301 /nfs/dbraw/zinc/41/43/01/951414301.db2.gz YURDNNINUMQGEY-SNVBAGLBSA-N 1 0 384.400 -0.426 20 0 GBADRO C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575046812 951448638 /nfs/dbraw/zinc/44/86/38/951448638.db2.gz TYFYUNMBUDTFOE-LLVKDONJSA-N 1 0 383.416 -0.112 20 0 GBADRO C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575046813 951447390 /nfs/dbraw/zinc/44/73/90/951447390.db2.gz TYFYUNMBUDTFOE-NSHDSACASA-N 1 0 383.416 -0.112 20 0 GBADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575053396 951479347 /nfs/dbraw/zinc/47/93/47/951479347.db2.gz CACOFBKOTYPYNT-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575053397 951479703 /nfs/dbraw/zinc/47/97/03/951479703.db2.gz CACOFBKOTYPYNT-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575053690 951480618 /nfs/dbraw/zinc/48/06/18/951480618.db2.gz CUUSOUCCGRBUBL-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575053692 951481341 /nfs/dbraw/zinc/48/13/41/951481341.db2.gz CUUSOUCCGRBUBL-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1nccnc1-c1nn[nH]n1 ZINC001575054279 951490547 /nfs/dbraw/zinc/49/05/47/951490547.db2.gz HQCYAMXLBIJEJL-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1nccnc1-c1nn[nH]n1 ZINC001575054280 951490651 /nfs/dbraw/zinc/49/06/51/951490651.db2.gz HQCYAMXLBIJEJL-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575055628 951509640 /nfs/dbraw/zinc/50/96/40/951509640.db2.gz YMWPYBQIKQCSDZ-LLVKDONJSA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575055629 951509870 /nfs/dbraw/zinc/50/98/70/951509870.db2.gz YMWPYBQIKQCSDZ-NSHDSACASA-N 1 0 385.436 -0.355 20 0 GBADRO C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059313 951539343 /nfs/dbraw/zinc/53/93/43/951539343.db2.gz ZEBLZDACVLNYPH-SECBINFHSA-N 1 0 391.413 -0.090 20 0 GBADRO C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059314 951539803 /nfs/dbraw/zinc/53/98/03/951539803.db2.gz ZEBLZDACVLNYPH-VIFPVBQESA-N 1 0 391.413 -0.090 20 0 GBADRO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575066097 951592234 /nfs/dbraw/zinc/59/22/34/951592234.db2.gz FFPIIWKHCBUTDV-JTQLQIEISA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575066098 951592359 /nfs/dbraw/zinc/59/23/59/951592359.db2.gz FFPIIWKHCBUTDV-SNVBAGLBSA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066455 951597951 /nfs/dbraw/zinc/59/79/51/951597951.db2.gz MJQRCYPUAFWDML-JTQLQIEISA-N 1 0 385.436 -0.097 20 0 GBADRO C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066457 951597464 /nfs/dbraw/zinc/59/74/64/951597464.db2.gz MJQRCYPUAFWDML-SNVBAGLBSA-N 1 0 385.436 -0.097 20 0 GBADRO C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575066545 951597652 /nfs/dbraw/zinc/59/76/52/951597652.db2.gz GKOLFBQDYUBRLK-MRVPVSSYSA-N 1 0 387.429 -0.275 20 0 GBADRO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575066546 951597766 /nfs/dbraw/zinc/59/77/66/951597766.db2.gz GKOLFBQDYUBRLK-QMMMGPOBSA-N 1 0 387.429 -0.275 20 0 GBADRO C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068006 951626701 /nfs/dbraw/zinc/62/67/01/951626701.db2.gz UYQLCIZOUKIMBY-SECBINFHSA-N 1 0 382.388 -0.595 20 0 GBADRO C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068007 951626963 /nfs/dbraw/zinc/62/69/63/951626963.db2.gz UYQLCIZOUKIMBY-VIFPVBQESA-N 1 0 382.388 -0.595 20 0 GBADRO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575068280 951633834 /nfs/dbraw/zinc/63/38/34/951633834.db2.gz ZJMKIOVAXXZXEE-JTQLQIEISA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575068281 951634078 /nfs/dbraw/zinc/63/40/78/951634078.db2.gz ZJMKIOVAXXZXEE-SNVBAGLBSA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575068284 951634467 /nfs/dbraw/zinc/63/44/67/951634467.db2.gz ZKSQFUDZEPRIFF-JTQLQIEISA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@H](CNC(=O)c1nccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575068285 951633678 /nfs/dbraw/zinc/63/36/78/951633678.db2.gz ZKSQFUDZEPRIFF-SNVBAGLBSA-N 1 0 381.400 -0.336 20 0 GBADRO C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575068582 951636592 /nfs/dbraw/zinc/63/65/92/951636592.db2.gz BMVNJJRVJIJXAG-GHMZBOCLSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575068583 951636348 /nfs/dbraw/zinc/63/63/48/951636348.db2.gz BMVNJJRVJIJXAG-MNOVXSKESA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575068584 951636216 /nfs/dbraw/zinc/63/62/16/951636216.db2.gz BMVNJJRVJIJXAG-QWRGUYRKSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575068585 951636482 /nfs/dbraw/zinc/63/64/82/951636482.db2.gz BMVNJJRVJIJXAG-WDEREUQCSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001575068829 951638668 /nfs/dbraw/zinc/63/86/68/951638668.db2.gz CXCIJKNZFIGNLC-LLVKDONJSA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001575068831 951638599 /nfs/dbraw/zinc/63/85/99/951638599.db2.gz CXCIJKNZFIGNLC-NSHDSACASA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575068895 951637517 /nfs/dbraw/zinc/63/75/17/951637517.db2.gz DQLDLSSKAWGCSJ-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575068896 951637768 /nfs/dbraw/zinc/63/77/68/951637768.db2.gz DQLDLSSKAWGCSJ-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575068901 951638060 /nfs/dbraw/zinc/63/80/60/951638060.db2.gz DRPQVPYMMLIKND-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575068902 951638715 /nfs/dbraw/zinc/63/87/15/951638715.db2.gz DRPQVPYMMLIKND-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575068903 951637758 /nfs/dbraw/zinc/63/77/58/951637758.db2.gz DXBQZNRGVDASIL-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575068904 951637747 /nfs/dbraw/zinc/63/77/47/951637747.db2.gz DXBQZNRGVDASIL-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069535 951643939 /nfs/dbraw/zinc/64/39/39/951643939.db2.gz JRJBWMSARZUVNK-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)CS(C)(=O)=O ZINC001575069536 951643134 /nfs/dbraw/zinc/64/31/34/951643134.db2.gz JRJBWMSARZUVNK-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)CS(C)(=O)=O ZINC001575069549 951643986 /nfs/dbraw/zinc/64/39/86/951643986.db2.gz KBUQOYFAXLGHCN-JTQLQIEISA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@H](C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)CS(C)(=O)=O ZINC001575069550 951643763 /nfs/dbraw/zinc/64/37/63/951643763.db2.gz KBUQOYFAXLGHCN-SNVBAGLBSA-N 1 0 381.462 -0.273 20 0 GBADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)CS(C)(=O)=O ZINC001575069863 951646715 /nfs/dbraw/zinc/64/67/15/951646715.db2.gz MMDKRUDDYXPXOO-CMPLNLGQSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)CS(C)(=O)=O ZINC001575069864 951647278 /nfs/dbraw/zinc/64/72/78/951647278.db2.gz MMDKRUDDYXPXOO-JQWIXIFHSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)CS(C)(=O)=O ZINC001575069865 951647130 /nfs/dbraw/zinc/64/71/30/951647130.db2.gz MMDKRUDDYXPXOO-PWSUYJOCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)CS(C)(=O)=O ZINC001575069866 951646977 /nfs/dbraw/zinc/64/69/77/951646977.db2.gz MMDKRUDDYXPXOO-ZYHUDNBSSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575069887 951646343 /nfs/dbraw/zinc/64/63/43/951646343.db2.gz MYZBUCZBRBTXKN-LLVKDONJSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575069888 951646676 /nfs/dbraw/zinc/64/66/76/951646676.db2.gz MYZBUCZBRBTXKN-NSHDSACASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575069907 951646461 /nfs/dbraw/zinc/64/64/61/951646461.db2.gz NHYGZAXXKOZBOJ-SECBINFHSA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575069908 951647034 /nfs/dbraw/zinc/64/70/34/951647034.db2.gz NHYGZAXXKOZBOJ-VIFPVBQESA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@H](C[NH2+][C@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575069929 951648616 /nfs/dbraw/zinc/64/86/16/951648616.db2.gz NXGRMVWWKSKASA-GHMZBOCLSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070130 951649284 /nfs/dbraw/zinc/64/92/84/951649284.db2.gz NXGRMVWWKSKASA-MNOVXSKESA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575070131 951649258 /nfs/dbraw/zinc/64/92/58/951649258.db2.gz NXGRMVWWKSKASA-QWRGUYRKSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070132 951648911 /nfs/dbraw/zinc/64/89/11/951648911.db2.gz NXGRMVWWKSKASA-WDEREUQCSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070157 951648675 /nfs/dbraw/zinc/64/86/75/951648675.db2.gz OHZRYCMCPKIWTA-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070158 951649132 /nfs/dbraw/zinc/64/91/32/951649132.db2.gz OHZRYCMCPKIWTA-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@H](C[NH2+][C@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070181 951648559 /nfs/dbraw/zinc/64/85/59/951648559.db2.gz OXGVBQHEURHJLZ-GHMZBOCLSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070182 951648402 /nfs/dbraw/zinc/64/84/02/951648402.db2.gz OXGVBQHEURHJLZ-MNOVXSKESA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575070183 951648978 /nfs/dbraw/zinc/64/89/78/951648978.db2.gz OXGVBQHEURHJLZ-QWRGUYRKSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@H](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575070184 951648635 /nfs/dbraw/zinc/64/86/35/951648635.db2.gz OXGVBQHEURHJLZ-WDEREUQCSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070191 951649050 /nfs/dbraw/zinc/64/90/50/951649050.db2.gz PAAFECKLLYYNSD-SECBINFHSA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070192 951649327 /nfs/dbraw/zinc/64/93/27/951649327.db2.gz PAAFECKLLYYNSD-VIFPVBQESA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070215 951650890 /nfs/dbraw/zinc/65/08/90/951650890.db2.gz PHNDVTAMGPTIGH-LLVKDONJSA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070216 951650627 /nfs/dbraw/zinc/65/06/27/951650627.db2.gz PHNDVTAMGPTIGH-NSHDSACASA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070510 951651908 /nfs/dbraw/zinc/65/19/08/951651908.db2.gz QUYPEXUVGMYHEZ-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070512 951652303 /nfs/dbraw/zinc/65/23/03/951652303.db2.gz QUYPEXUVGMYHEZ-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070514 951652573 /nfs/dbraw/zinc/65/25/73/951652573.db2.gz QUYPEXUVGMYHEZ-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575070516 951651722 /nfs/dbraw/zinc/65/17/22/951651722.db2.gz QUYPEXUVGMYHEZ-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070609 951652220 /nfs/dbraw/zinc/65/22/20/951652220.db2.gz SKVKZNZCVJSAIG-LLVKDONJSA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575070610 951652277 /nfs/dbraw/zinc/65/22/77/951652277.db2.gz SKVKZNZCVJSAIG-NSHDSACASA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070678 951653631 /nfs/dbraw/zinc/65/36/31/951653631.db2.gz TWJGZXRJONTTHT-MRVPVSSYSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070680 951653600 /nfs/dbraw/zinc/65/36/00/951653600.db2.gz TWJGZXRJONTTHT-QMMMGPOBSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070703 951654163 /nfs/dbraw/zinc/65/41/63/951654163.db2.gz UGTDRYVFQGOSOK-SECBINFHSA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070705 951653817 /nfs/dbraw/zinc/65/38/17/951653817.db2.gz UGTDRYVFQGOSOK-VIFPVBQESA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070757 951653873 /nfs/dbraw/zinc/65/38/73/951653873.db2.gz UXWANKDVKZAQQN-SECBINFHSA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070759 951653443 /nfs/dbraw/zinc/65/34/43/951653443.db2.gz UXWANKDVKZAQQN-VIFPVBQESA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070922 951655163 /nfs/dbraw/zinc/65/51/63/951655163.db2.gz VVHTWUZUOFODBT-MRVPVSSYSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575070923 951655506 /nfs/dbraw/zinc/65/55/06/951655506.db2.gz VVHTWUZUOFODBT-QMMMGPOBSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575070934 951655641 /nfs/dbraw/zinc/65/56/41/951655641.db2.gz VYFLHAHYNFWDQA-SECBINFHSA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575070935 951655302 /nfs/dbraw/zinc/65/53/02/951655302.db2.gz VYFLHAHYNFWDQA-VIFPVBQESA-N 1 0 389.420 -0.767 20 0 GBADRO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070964 951655488 /nfs/dbraw/zinc/65/54/88/951655488.db2.gz WLLFTKMEBFDWAL-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575070965 951655346 /nfs/dbraw/zinc/65/53/46/951655346.db2.gz WLLFTKMEBFDWAL-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070976 951655867 /nfs/dbraw/zinc/65/58/67/951655867.db2.gz WOJPVHXIOSNHHV-SECBINFHSA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001575070978 951655982 /nfs/dbraw/zinc/65/59/82/951655982.db2.gz WOJPVHXIOSNHHV-VIFPVBQESA-N 1 0 389.420 -0.862 20 0 GBADRO C[C@H](C[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575071016 951655685 /nfs/dbraw/zinc/65/56/85/951655685.db2.gz XBFOSHDEHKLHKE-GHMZBOCLSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575071018 951655355 /nfs/dbraw/zinc/65/53/55/951655355.db2.gz XBFOSHDEHKLHKE-MNOVXSKESA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575071020 951655201 /nfs/dbraw/zinc/65/52/01/951655201.db2.gz XBFOSHDEHKLHKE-QWRGUYRKSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575071022 951655880 /nfs/dbraw/zinc/65/58/80/951655880.db2.gz XBFOSHDEHKLHKE-WDEREUQCSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575071191 951657603 /nfs/dbraw/zinc/65/76/03/951657603.db2.gz YBDXSEOARJIDDU-LLVKDONJSA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575071192 951656610 /nfs/dbraw/zinc/65/66/10/951656610.db2.gz YBDXSEOARJIDDU-NSHDSACASA-N 1 0 376.421 -0.896 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575071211 951657091 /nfs/dbraw/zinc/65/70/91/951657091.db2.gz YKCUBQCMGJSFMX-MRVPVSSYSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001575071212 951656792 /nfs/dbraw/zinc/65/67/92/951656792.db2.gz YKCUBQCMGJSFMX-QMMMGPOBSA-N 1 0 388.354 -0.171 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575071223 951656591 /nfs/dbraw/zinc/65/65/91/951656591.db2.gz YNWZSCMJEPLGAS-LLVKDONJSA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001575071224 951657371 /nfs/dbraw/zinc/65/73/71/951657371.db2.gz YNWZSCMJEPLGAS-NSHDSACASA-N 1 0 376.421 -0.991 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575071229 951657339 /nfs/dbraw/zinc/65/73/39/951657339.db2.gz YSQZLEUXYRHXAO-MRVPVSSYSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575071230 951657493 /nfs/dbraw/zinc/65/74/93/951657493.db2.gz YSQZLEUXYRHXAO-QMMMGPOBSA-N 1 0 388.354 -0.077 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575076994 951658763 /nfs/dbraw/zinc/65/87/63/951658763.db2.gz AERYBAGCRKKBFZ-MRVPVSSYSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575076995 951658186 /nfs/dbraw/zinc/65/81/86/951658186.db2.gz AERYBAGCRKKBFZ-QMMMGPOBSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575077008 951658966 /nfs/dbraw/zinc/65/89/66/951658966.db2.gz AMZBBGIDOQDWJR-NEPJUHHUSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575077009 951659223 /nfs/dbraw/zinc/65/92/23/951659223.db2.gz AMZBBGIDOQDWJR-NWDGAFQWSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575077010 951658359 /nfs/dbraw/zinc/65/83/59/951658359.db2.gz AMZBBGIDOQDWJR-RYUDHWBXSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575077011 951659283 /nfs/dbraw/zinc/65/92/83/951659283.db2.gz AMZBBGIDOQDWJR-VXGBXAGGSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077016 951659062 /nfs/dbraw/zinc/65/90/62/951659062.db2.gz APWDCROBZYRWJW-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077017 951658917 /nfs/dbraw/zinc/65/89/17/951658917.db2.gz APWDCROBZYRWJW-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077088 951660029 /nfs/dbraw/zinc/66/00/29/951660029.db2.gz BYOCFECHLGOWRZ-GHMZBOCLSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077089 951660942 /nfs/dbraw/zinc/66/09/42/951660942.db2.gz BYOCFECHLGOWRZ-MNOVXSKESA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077090 951661177 /nfs/dbraw/zinc/66/11/77/951661177.db2.gz BYOCFECHLGOWRZ-QWRGUYRKSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077091 951660487 /nfs/dbraw/zinc/66/04/87/951660487.db2.gz BYOCFECHLGOWRZ-WDEREUQCSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077122 951661884 /nfs/dbraw/zinc/66/18/84/951661884.db2.gz CPPJJOOCRGUNTC-AAEUAGOBSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077123 951662350 /nfs/dbraw/zinc/66/23/50/951662350.db2.gz CPPJJOOCRGUNTC-YPMHNXCESA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077144 951661697 /nfs/dbraw/zinc/66/16/97/951661697.db2.gz DBLFQBUXMIRDNX-AAEUAGOBSA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575077145 951662788 /nfs/dbraw/zinc/66/27/88/951662788.db2.gz DBLFQBUXMIRDNX-YPMHNXCESA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077292 951665504 /nfs/dbraw/zinc/66/55/04/951665504.db2.gz FJPJZLOTLGNMEQ-GHMZBOCLSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077293 951666150 /nfs/dbraw/zinc/66/61/50/951666150.db2.gz FJPJZLOTLGNMEQ-MNOVXSKESA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575077294 951665486 /nfs/dbraw/zinc/66/54/86/951665486.db2.gz FJPJZLOTLGNMEQ-QWRGUYRKSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575077295 951666813 /nfs/dbraw/zinc/66/68/13/951666813.db2.gz FJPJZLOTLGNMEQ-WDEREUQCSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575077386 951668369 /nfs/dbraw/zinc/66/83/69/951668369.db2.gz CHDLDTABBINIFN-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575077387 951667358 /nfs/dbraw/zinc/66/73/58/951667358.db2.gz CHDLDTABBINIFN-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575077388 951667943 /nfs/dbraw/zinc/66/79/43/951667943.db2.gz CHDLDTABBINIFN-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575077389 951668084 /nfs/dbraw/zinc/66/80/84/951668084.db2.gz CHDLDTABBINIFN-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077400 951667307 /nfs/dbraw/zinc/66/73/07/951667307.db2.gz CJSZLTRFDLIECK-NOZJJQNGSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077401 951667861 /nfs/dbraw/zinc/66/78/61/951667861.db2.gz CJSZLTRFDLIECK-RNCFNFMXSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077402 951668193 /nfs/dbraw/zinc/66/81/93/951668193.db2.gz CJSZLTRFDLIECK-TVQRCGJNSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077403 951667164 /nfs/dbraw/zinc/66/71/64/951667164.db2.gz CJSZLTRFDLIECK-ZANVPECISA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077518 951670569 /nfs/dbraw/zinc/67/05/69/951670569.db2.gz FZLCEBZFGRSFNV-LLVKDONJSA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077519 951671201 /nfs/dbraw/zinc/67/12/01/951671201.db2.gz FZLCEBZFGRSFNV-NSHDSACASA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575077650 951672517 /nfs/dbraw/zinc/67/25/17/951672517.db2.gz HSMTXAJGPILJPO-GHMZBOCLSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575077651 951672833 /nfs/dbraw/zinc/67/28/33/951672833.db2.gz HSMTXAJGPILJPO-MNOVXSKESA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575077652 951672721 /nfs/dbraw/zinc/67/27/21/951672721.db2.gz HSMTXAJGPILJPO-QWRGUYRKSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077653 951673052 /nfs/dbraw/zinc/67/30/52/951673052.db2.gz HSMTXAJGPILJPO-WDEREUQCSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077840 951674820 /nfs/dbraw/zinc/67/48/20/951674820.db2.gz IOMONDSRKGLPGH-JTQLQIEISA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077841 951674704 /nfs/dbraw/zinc/67/47/04/951674704.db2.gz IOMONDSRKGLPGH-SNVBAGLBSA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CS(C)(=O)=O ZINC001575078137 951677847 /nfs/dbraw/zinc/67/78/47/951677847.db2.gz JFRCWKOWPBQTOM-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CS(C)(=O)=O ZINC001575078139 951677875 /nfs/dbraw/zinc/67/78/75/951677875.db2.gz JFRCWKOWPBQTOM-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078264 951680006 /nfs/dbraw/zinc/68/00/06/951680006.db2.gz KVDQJGFIURLHCK-UWVGGRQHSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078265 951679842 /nfs/dbraw/zinc/67/98/42/951679842.db2.gz KVDQJGFIURLHCK-ZJUUUORDSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078473 951681305 /nfs/dbraw/zinc/68/13/05/951681305.db2.gz LYCDKFSATLVRQI-JTQLQIEISA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078475 951681076 /nfs/dbraw/zinc/68/10/76/951681076.db2.gz LYCDKFSATLVRQI-SNVBAGLBSA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078497 951681706 /nfs/dbraw/zinc/68/17/06/951681706.db2.gz KLUQKAWYYCADTR-HZMBPMFUSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078502 951681039 /nfs/dbraw/zinc/68/10/39/951681039.db2.gz KLUQKAWYYCADTR-IINYFYTJSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078507 951683126 /nfs/dbraw/zinc/68/31/26/951683126.db2.gz KLUQKAWYYCADTR-QMTHXVAHSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078512 951682921 /nfs/dbraw/zinc/68/29/21/951682921.db2.gz KLUQKAWYYCADTR-YGRLFVJLSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079074 951687298 /nfs/dbraw/zinc/68/72/98/951687298.db2.gz PKBMGTLZRFWNEJ-FZQKWOKYSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079075 951687361 /nfs/dbraw/zinc/68/73/61/951687361.db2.gz PKBMGTLZRFWNEJ-FZZIBODNSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079157 951688750 /nfs/dbraw/zinc/68/87/50/951688750.db2.gz LPQODMFPLUCSSJ-AAEUAGOBSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079159 951689427 /nfs/dbraw/zinc/68/94/27/951689427.db2.gz LPQODMFPLUCSSJ-DGCLKSJQSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079161 951689432 /nfs/dbraw/zinc/68/94/32/951689432.db2.gz LPQODMFPLUCSSJ-WCQYABFASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079163 951688692 /nfs/dbraw/zinc/68/86/92/951688692.db2.gz LPQODMFPLUCSSJ-YPMHNXCESA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079222 951689194 /nfs/dbraw/zinc/68/91/94/951689194.db2.gz MFFFMCMNDOPHEI-MRVPVSSYSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079224 951688535 /nfs/dbraw/zinc/68/85/35/951688535.db2.gz MFFFMCMNDOPHEI-QMMMGPOBSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079239 951689235 /nfs/dbraw/zinc/68/92/35/951689235.db2.gz MHMTVTZZCVPEKY-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079241 951688371 /nfs/dbraw/zinc/68/83/71/951688371.db2.gz MHMTVTZZCVPEKY-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079242 951689125 /nfs/dbraw/zinc/68/91/25/951689125.db2.gz MHMTVTZZCVPEKY-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079243 951688703 /nfs/dbraw/zinc/68/87/03/951688703.db2.gz MHMTVTZZCVPEKY-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079258 951688565 /nfs/dbraw/zinc/68/85/65/951688565.db2.gz MSKDPNSBOYWUJM-MRVPVSSYSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)Nc1nncs1 ZINC001575079259 951689206 /nfs/dbraw/zinc/68/92/06/951689206.db2.gz MSKDPNSBOYWUJM-QMMMGPOBSA-N 1 0 390.433 -0.360 20 0 GBADRO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079270 951691160 /nfs/dbraw/zinc/69/11/60/951691160.db2.gz MWQWDMKLXHUZCK-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079271 951690680 /nfs/dbraw/zinc/69/06/80/951690680.db2.gz MWQWDMKLXHUZCK-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079272 951690212 /nfs/dbraw/zinc/69/02/12/951690212.db2.gz MWQWDMKLXHUZCK-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575079273 951690607 /nfs/dbraw/zinc/69/06/07/951690607.db2.gz MWQWDMKLXHUZCK-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079280 951691374 /nfs/dbraw/zinc/69/13/74/951691374.db2.gz NGDKOPJZTFLBAV-AAEUAGOBSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079281 951691361 /nfs/dbraw/zinc/69/13/61/951691361.db2.gz NGDKOPJZTFLBAV-DGCLKSJQSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079282 951691446 /nfs/dbraw/zinc/69/14/46/951691446.db2.gz NGDKOPJZTFLBAV-WCQYABFASA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079283 951691478 /nfs/dbraw/zinc/69/14/78/951691478.db2.gz NGDKOPJZTFLBAV-YPMHNXCESA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079425 951692989 /nfs/dbraw/zinc/69/29/89/951692989.db2.gz DXWRWYXWHASATG-BIMULSAOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079427 951691885 /nfs/dbraw/zinc/69/18/85/951691885.db2.gz DXWRWYXWHASATG-WQAKAFBOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575079544 951693628 /nfs/dbraw/zinc/69/36/28/951693628.db2.gz QVTOCFQBUMZUEO-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575079545 951694128 /nfs/dbraw/zinc/69/41/28/951694128.db2.gz QVTOCFQBUMZUEO-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575079546 951695037 /nfs/dbraw/zinc/69/50/37/951695037.db2.gz QVTOCFQBUMZUEO-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575079547 951694629 /nfs/dbraw/zinc/69/46/29/951694629.db2.gz QVTOCFQBUMZUEO-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079695 951696196 /nfs/dbraw/zinc/69/61/96/951696196.db2.gz FTYDVYLWDQKAMM-UWVGGRQHSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079697 951696362 /nfs/dbraw/zinc/69/63/62/951696362.db2.gz FTYDVYLWDQKAMM-ZJUUUORDSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079744 951696449 /nfs/dbraw/zinc/69/64/49/951696449.db2.gz OGWGQAYIGUAPGG-NOZJJQNGSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079746 951695950 /nfs/dbraw/zinc/69/59/50/951695950.db2.gz OGWGQAYIGUAPGG-RNCFNFMXSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079748 951695874 /nfs/dbraw/zinc/69/58/74/951695874.db2.gz OGWGQAYIGUAPGG-TVQRCGJNSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079750 951696039 /nfs/dbraw/zinc/69/60/39/951696039.db2.gz OGWGQAYIGUAPGG-ZANVPECISA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079752 951695834 /nfs/dbraw/zinc/69/58/34/951695834.db2.gz OKSOTDMNEKHKPM-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079754 951696005 /nfs/dbraw/zinc/69/60/05/951696005.db2.gz OKSOTDMNEKHKPM-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079806 951698089 /nfs/dbraw/zinc/69/80/89/951698089.db2.gz OWUPGOHCGNZOJG-GHMZBOCLSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079807 951697401 /nfs/dbraw/zinc/69/74/01/951697401.db2.gz OWUPGOHCGNZOJG-MNOVXSKESA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001575079809 951697418 /nfs/dbraw/zinc/69/74/18/951697418.db2.gz OWUPGOHCGNZOJG-QWRGUYRKSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001575079810 951697900 /nfs/dbraw/zinc/69/79/00/951697900.db2.gz OWUPGOHCGNZOJG-WDEREUQCSA-N 1 0 381.462 -0.415 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080220 951706604 /nfs/dbraw/zinc/70/66/04/951706604.db2.gz QAIWGQRCEVKDKY-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080221 951705477 /nfs/dbraw/zinc/70/54/77/951705477.db2.gz QAIWGQRCEVKDKY-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575080254 951707514 /nfs/dbraw/zinc/70/75/14/951707514.db2.gz QOMBFSMXLLGAHL-JTQLQIEISA-N 1 0 384.404 -0.421 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575080255 951707982 /nfs/dbraw/zinc/70/79/82/951707982.db2.gz QOMBFSMXLLGAHL-SNVBAGLBSA-N 1 0 384.404 -0.421 20 0 GBADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CS(C)(=O)=O ZINC001575080446 951709814 /nfs/dbraw/zinc/70/98/14/951709814.db2.gz MCGWLTAXHUPDEO-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CS(C)(=O)=O ZINC001575080447 951711196 /nfs/dbraw/zinc/71/11/96/951711196.db2.gz MCGWLTAXHUPDEO-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080462 951710117 /nfs/dbraw/zinc/71/01/17/951710117.db2.gz MKAGEDHXPUOCNK-JTQLQIEISA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080463 951710850 /nfs/dbraw/zinc/71/08/50/951710850.db2.gz MKAGEDHXPUOCNK-SNVBAGLBSA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080488 951710950 /nfs/dbraw/zinc/71/09/50/951710950.db2.gz XCDRQQLKMGFKSW-HZMBPMFUSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080489 951710570 /nfs/dbraw/zinc/71/05/70/951710570.db2.gz XCDRQQLKMGFKSW-IINYFYTJSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080490 951710696 /nfs/dbraw/zinc/71/06/96/951710696.db2.gz XCDRQQLKMGFKSW-QMTHXVAHSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080491 951710677 /nfs/dbraw/zinc/71/06/77/951710677.db2.gz XCDRQQLKMGFKSW-YGRLFVJLSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080540 951711926 /nfs/dbraw/zinc/71/19/26/951711926.db2.gz XYZDJNKLMSDBMN-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575080541 951712552 /nfs/dbraw/zinc/71/25/52/951712552.db2.gz XYZDJNKLMSDBMN-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080701 951714667 /nfs/dbraw/zinc/71/46/67/951714667.db2.gz QWBDCAUZNKDWEW-GHMZBOCLSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080703 951714818 /nfs/dbraw/zinc/71/48/18/951714818.db2.gz QWBDCAUZNKDWEW-MNOVXSKESA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575080705 951714716 /nfs/dbraw/zinc/71/47/16/951714716.db2.gz QWBDCAUZNKDWEW-QWRGUYRKSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080707 951714689 /nfs/dbraw/zinc/71/46/89/951714689.db2.gz QWBDCAUZNKDWEW-WDEREUQCSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575080781 951716621 /nfs/dbraw/zinc/71/66/21/951716621.db2.gz RHNBAKULVAXQBL-GHMZBOCLSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575080783 951716753 /nfs/dbraw/zinc/71/67/53/951716753.db2.gz RHNBAKULVAXQBL-MNOVXSKESA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)CS(C)(=O)=O ZINC001575080786 951715659 /nfs/dbraw/zinc/71/56/59/951715659.db2.gz RHNBAKULVAXQBL-QWRGUYRKSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080788 951715960 /nfs/dbraw/zinc/71/59/60/951715960.db2.gz RHNBAKULVAXQBL-WDEREUQCSA-N 1 0 383.478 -0.074 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080910 951718454 /nfs/dbraw/zinc/71/84/54/951718454.db2.gz OKDZMYSDKLTIMN-NOZJJQNGSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080914 951718161 /nfs/dbraw/zinc/71/81/61/951718161.db2.gz OKDZMYSDKLTIMN-RNCFNFMXSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080918 951717491 /nfs/dbraw/zinc/71/74/91/951717491.db2.gz OKDZMYSDKLTIMN-TVQRCGJNSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080921 951718576 /nfs/dbraw/zinc/71/85/76/951718576.db2.gz OKDZMYSDKLTIMN-ZANVPECISA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081350 951721443 /nfs/dbraw/zinc/72/14/43/951721443.db2.gz UAIKHOLKCVWBIH-NOZJJQNGSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081351 951721154 /nfs/dbraw/zinc/72/11/54/951721154.db2.gz UAIKHOLKCVWBIH-RNCFNFMXSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081352 951722107 /nfs/dbraw/zinc/72/21/07/951722107.db2.gz UAIKHOLKCVWBIH-TVQRCGJNSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081353 951721960 /nfs/dbraw/zinc/72/19/60/951721960.db2.gz UAIKHOLKCVWBIH-ZANVPECISA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CS(C)(=O)=O ZINC001575081366 951721777 /nfs/dbraw/zinc/72/17/77/951721777.db2.gz UBRWOMIWUDJJFO-GHMZBOCLSA-N 1 0 383.478 -0.169 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081367 951722688 /nfs/dbraw/zinc/72/26/88/951722688.db2.gz UBRWOMIWUDJJFO-MNOVXSKESA-N 1 0 383.478 -0.169 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001575081368 951721821 /nfs/dbraw/zinc/72/18/21/951721821.db2.gz UBRWOMIWUDJJFO-QWRGUYRKSA-N 1 0 383.478 -0.169 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001575081369 951721927 /nfs/dbraw/zinc/72/19/27/951721927.db2.gz UBRWOMIWUDJJFO-WDEREUQCSA-N 1 0 383.478 -0.169 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081402 951723849 /nfs/dbraw/zinc/72/38/49/951723849.db2.gz UMRDAUBDUSWODD-NEPJUHHUSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081403 951724010 /nfs/dbraw/zinc/72/40/10/951724010.db2.gz UMRDAUBDUSWODD-NWDGAFQWSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081404 951723737 /nfs/dbraw/zinc/72/37/37/951723737.db2.gz UMRDAUBDUSWODD-RYUDHWBXSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081405 951723271 /nfs/dbraw/zinc/72/32/71/951723271.db2.gz UMRDAUBDUSWODD-VXGBXAGGSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081416 951724718 /nfs/dbraw/zinc/72/47/18/951724718.db2.gz USQRLUPJWHAMAO-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081417 951723605 /nfs/dbraw/zinc/72/36/05/951723605.db2.gz USQRLUPJWHAMAO-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081418 951723207 /nfs/dbraw/zinc/72/32/07/951723207.db2.gz USQRLUPJWHAMAO-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081419 951723871 /nfs/dbraw/zinc/72/38/71/951723871.db2.gz USQRLUPJWHAMAO-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575081421 951723246 /nfs/dbraw/zinc/72/32/46/951723246.db2.gz UTIOUXPFYBKKTJ-JTQLQIEISA-N 1 0 384.404 -0.421 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC(=O)Nc1cnccn1 ZINC001575081423 951723542 /nfs/dbraw/zinc/72/35/42/951723542.db2.gz UTIOUXPFYBKKTJ-SNVBAGLBSA-N 1 0 384.404 -0.421 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575081442 951724422 /nfs/dbraw/zinc/72/44/22/951724422.db2.gz UYXSAKOFPKYJNS-AAEUAGOBSA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575081443 951723409 /nfs/dbraw/zinc/72/34/09/951723409.db2.gz UYXSAKOFPKYJNS-DGCLKSJQSA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001575081444 951723198 /nfs/dbraw/zinc/72/31/98/951723198.db2.gz UYXSAKOFPKYJNS-WCQYABFASA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001575081446 951723189 /nfs/dbraw/zinc/72/31/89/951723189.db2.gz UYXSAKOFPKYJNS-YPMHNXCESA-N 1 0 390.448 -0.555 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081464 951723700 /nfs/dbraw/zinc/72/37/00/951723700.db2.gz VBCRPZHYVXEIAS-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081465 951724404 /nfs/dbraw/zinc/72/44/04/951724404.db2.gz VBCRPZHYVXEIAS-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081665 951725057 /nfs/dbraw/zinc/72/50/57/951725057.db2.gz RIAYGZUVSUXDMI-NOZJJQNGSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081668 951725204 /nfs/dbraw/zinc/72/52/04/951725204.db2.gz RIAYGZUVSUXDMI-RNCFNFMXSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081670 951726208 /nfs/dbraw/zinc/72/62/08/951726208.db2.gz RIAYGZUVSUXDMI-TVQRCGJNSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081672 951725138 /nfs/dbraw/zinc/72/51/38/951725138.db2.gz RIAYGZUVSUXDMI-ZANVPECISA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575081712 951726026 /nfs/dbraw/zinc/72/60/26/951726026.db2.gz RVLUIDJQIMJVQV-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575081713 951725256 /nfs/dbraw/zinc/72/52/56/951725256.db2.gz RVLUIDJQIMJVQV-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081800 951727482 /nfs/dbraw/zinc/72/74/82/951727482.db2.gz VUDXSQPUEBSCSB-UWVGGRQHSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081802 951727888 /nfs/dbraw/zinc/72/78/88/951727888.db2.gz VUDXSQPUEBSCSB-ZJUUUORDSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081804 951727536 /nfs/dbraw/zinc/72/75/36/951727536.db2.gz VXDUOEIJGNMGNH-NEPJUHHUSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081806 951727139 /nfs/dbraw/zinc/72/71/39/951727139.db2.gz VXDUOEIJGNMGNH-NWDGAFQWSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001575081808 951726977 /nfs/dbraw/zinc/72/69/77/951726977.db2.gz VXDUOEIJGNMGNH-RYUDHWBXSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001575081809 951727359 /nfs/dbraw/zinc/72/73/59/951727359.db2.gz VXDUOEIJGNMGNH-VXGBXAGGSA-N 1 0 390.448 -0.697 20 0 GBADRO C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081950 951729239 /nfs/dbraw/zinc/72/92/39/951729239.db2.gz WUPGKBWIQMPWKL-JTQLQIEISA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081954 951729967 /nfs/dbraw/zinc/72/99/67/951729967.db2.gz WUPGKBWIQMPWKL-SNVBAGLBSA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081993 951729625 /nfs/dbraw/zinc/72/96/25/951729625.db2.gz WXMZTVZJQUQIBR-GHMZBOCLSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081996 951729997 /nfs/dbraw/zinc/72/99/97/951729997.db2.gz WXMZTVZJQUQIBR-MNOVXSKESA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081999 951728917 /nfs/dbraw/zinc/72/89/17/951728917.db2.gz WXMZTVZJQUQIBR-QWRGUYRKSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082002 951728554 /nfs/dbraw/zinc/72/85/54/951728554.db2.gz WXMZTVZJQUQIBR-WDEREUQCSA-N 1 0 381.462 -0.320 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082138 951731881 /nfs/dbraw/zinc/73/18/81/951731881.db2.gz UWLHZKFHSITYFC-HZMBPMFUSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082140 951731587 /nfs/dbraw/zinc/73/15/87/951731587.db2.gz UWLHZKFHSITYFC-IINYFYTJSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082141 951730321 /nfs/dbraw/zinc/73/03/21/951730321.db2.gz UWLHZKFHSITYFC-QMTHXVAHSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082142 951730444 /nfs/dbraw/zinc/73/04/44/951730444.db2.gz UWLHZKFHSITYFC-YGRLFVJLSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082200 951731496 /nfs/dbraw/zinc/73/14/96/951731496.db2.gz VPOQWRYBBIZPQA-LLVKDONJSA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082201 951730366 /nfs/dbraw/zinc/73/03/66/951730366.db2.gz VPOQWRYBBIZPQA-NSHDSACASA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082334 951732449 /nfs/dbraw/zinc/73/24/49/951732449.db2.gz XHGXQNBPFKMADZ-NEPJUHHUSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082335 951733071 /nfs/dbraw/zinc/73/30/71/951733071.db2.gz XHGXQNBPFKMADZ-NWDGAFQWSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082336 951732836 /nfs/dbraw/zinc/73/28/36/951732836.db2.gz XHGXQNBPFKMADZ-RYUDHWBXSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082337 951732587 /nfs/dbraw/zinc/73/25/87/951732587.db2.gz XHGXQNBPFKMADZ-VXGBXAGGSA-N 1 0 390.448 -0.602 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082346 951732667 /nfs/dbraw/zinc/73/26/67/951732667.db2.gz XMDASOJPFOGAHY-NEPJUHHUSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082347 951732689 /nfs/dbraw/zinc/73/26/89/951732689.db2.gz XMDASOJPFOGAHY-NWDGAFQWSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082348 951732974 /nfs/dbraw/zinc/73/29/74/951732974.db2.gz XMDASOJPFOGAHY-RYUDHWBXSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082349 951732656 /nfs/dbraw/zinc/73/26/56/951732656.db2.gz XMDASOJPFOGAHY-VXGBXAGGSA-N 1 0 390.448 -0.460 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082390 951733947 /nfs/dbraw/zinc/73/39/47/951733947.db2.gz YBMCUHLHMVOKNN-AAEUAGOBSA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082392 951733815 /nfs/dbraw/zinc/73/38/15/951733815.db2.gz YBMCUHLHMVOKNN-YPMHNXCESA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082454 951734143 /nfs/dbraw/zinc/73/41/43/951734143.db2.gz YYMBNHJDFGSWBF-MRVPVSSYSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082455 951733850 /nfs/dbraw/zinc/73/38/50/951733850.db2.gz YYMBNHJDFGSWBF-QMMMGPOBSA-N 1 0 390.433 -0.265 20 0 GBADRO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082463 951733792 /nfs/dbraw/zinc/73/37/92/951733792.db2.gz ZIVWTJOCFYYAPA-BIMULSAOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082464 951734770 /nfs/dbraw/zinc/73/47/70/951734770.db2.gz ZIVWTJOCFYYAPA-WQAKAFBOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082703 951736343 /nfs/dbraw/zinc/73/63/43/951736343.db2.gz ZJNOMDZASCVURT-NEPJUHHUSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575082706 951735766 /nfs/dbraw/zinc/73/57/66/951735766.db2.gz ZJNOMDZASCVURT-RYUDHWBXSA-N 1 0 390.448 -0.772 20 0 GBADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082740 951738095 /nfs/dbraw/zinc/73/80/95/951738095.db2.gz ZMDZQKKBJYPKOE-NEPJUHHUSA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001575082743 951738087 /nfs/dbraw/zinc/73/80/87/951738087.db2.gz ZMDZQKKBJYPKOE-RYUDHWBXSA-N 1 0 390.448 -0.866 20 0 GBADRO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082783 951737261 /nfs/dbraw/zinc/73/72/61/951737261.db2.gz ZVOSXZJXZXIXCT-JTQLQIEISA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082787 951738227 /nfs/dbraw/zinc/73/82/27/951738227.db2.gz ZVOSXZJXZXIXCT-SNVBAGLBSA-N 1 0 384.404 -0.326 20 0 GBADRO C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082963 951740277 /nfs/dbraw/zinc/74/02/77/951740277.db2.gz ZYHFGTMWYAOOCJ-JTQLQIEISA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082964 951739435 /nfs/dbraw/zinc/73/94/35/951739435.db2.gz ZYHFGTMWYAOOCJ-SNVBAGLBSA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088945 951744943 /nfs/dbraw/zinc/74/49/43/951744943.db2.gz DGMCTUWONOKIQT-GFCCVEGCSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088954 951744883 /nfs/dbraw/zinc/74/48/83/951744883.db2.gz DGMCTUWONOKIQT-LBPRGKRZSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089058 951745605 /nfs/dbraw/zinc/74/56/05/951745605.db2.gz CUWZWXKCCARGRL-HZMBPMFUSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089060 951746084 /nfs/dbraw/zinc/74/60/84/951746084.db2.gz CUWZWXKCCARGRL-IINYFYTJSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089061 951746447 /nfs/dbraw/zinc/74/64/47/951746447.db2.gz CUWZWXKCCARGRL-QMTHXVAHSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089062 951746056 /nfs/dbraw/zinc/74/60/56/951746056.db2.gz CUWZWXKCCARGRL-YGRLFVJLSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089100 951746361 /nfs/dbraw/zinc/74/63/61/951746361.db2.gz DKYQEBXRCSICHC-JTQLQIEISA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@@H](CNC(=O)CS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089102 951746732 /nfs/dbraw/zinc/74/67/32/951746732.db2.gz DKYQEBXRCSICHC-SNVBAGLBSA-N 1 0 384.437 -0.108 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089106 951746477 /nfs/dbraw/zinc/74/64/77/951746477.db2.gz DLEWDEPSDPGJEJ-UWVGGRQHSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089108 951745860 /nfs/dbraw/zinc/74/58/60/951745860.db2.gz DLEWDEPSDPGJEJ-ZJUUUORDSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089285 951747548 /nfs/dbraw/zinc/74/75/48/951747548.db2.gz FHMVKMLVTPWNFG-CYBMUJFWSA-N 1 0 386.460 -0.860 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089286 951747190 /nfs/dbraw/zinc/74/71/90/951747190.db2.gz FHMVKMLVTPWNFG-ZDUSSCGKSA-N 1 0 386.460 -0.860 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575089832 951755030 /nfs/dbraw/zinc/75/50/30/951755030.db2.gz HQRVWFKXSFGOGF-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575089835 951755564 /nfs/dbraw/zinc/75/55/64/951755564.db2.gz HQRVWFKXSFGOGF-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575089837 951755577 /nfs/dbraw/zinc/75/55/77/951755577.db2.gz HQRVWFKXSFGOGF-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575089840 951755145 /nfs/dbraw/zinc/75/51/45/951755145.db2.gz HQRVWFKXSFGOGF-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089917 951757037 /nfs/dbraw/zinc/75/70/37/951757037.db2.gz IVHUZHQJOPVECQ-NOZJJQNGSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089918 951757100 /nfs/dbraw/zinc/75/71/00/951757100.db2.gz IVHUZHQJOPVECQ-RNCFNFMXSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089919 951756346 /nfs/dbraw/zinc/75/63/46/951756346.db2.gz IVHUZHQJOPVECQ-TVQRCGJNSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089920 951757262 /nfs/dbraw/zinc/75/72/62/951757262.db2.gz IVHUZHQJOPVECQ-ZANVPECISA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575089923 951756568 /nfs/dbraw/zinc/75/65/68/951756568.db2.gz JAQGNPWMALCOPV-HNNXBMFYSA-N 1 0 388.461 -0.011 20 0 GBADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575089924 951756359 /nfs/dbraw/zinc/75/63/59/951756359.db2.gz JAQGNPWMALCOPV-OAHLLOKOSA-N 1 0 388.461 -0.011 20 0 GBADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090086 951757282 /nfs/dbraw/zinc/75/72/82/951757282.db2.gz JBBZXNKIVOMIES-KRWDZBQOSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575090090 951757245 /nfs/dbraw/zinc/75/72/45/951757245.db2.gz JBBZXNKIVOMIES-QGZVFWFLSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090301 951759860 /nfs/dbraw/zinc/75/98/60/951759860.db2.gz KLZHSBCQDGSGBF-NOZJJQNGSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090303 951760271 /nfs/dbraw/zinc/76/02/71/951760271.db2.gz KLZHSBCQDGSGBF-RNCFNFMXSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090305 951759802 /nfs/dbraw/zinc/75/98/02/951759802.db2.gz KLZHSBCQDGSGBF-TVQRCGJNSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090308 951760891 /nfs/dbraw/zinc/76/08/91/951760891.db2.gz KLZHSBCQDGSGBF-ZANVPECISA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575090632 951761723 /nfs/dbraw/zinc/76/17/23/951761723.db2.gz MVQFHILNEOUKRN-BDJLRTHQSA-N 1 0 390.473 -0.016 20 0 GBADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575090634 951762422 /nfs/dbraw/zinc/76/24/22/951762422.db2.gz MVQFHILNEOUKRN-BZNIZROVSA-N 1 0 390.473 -0.016 20 0 GBADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575090636 951761913 /nfs/dbraw/zinc/76/19/13/951761913.db2.gz MVQFHILNEOUKRN-MEDUHNTESA-N 1 0 390.473 -0.016 20 0 GBADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575090637 951762683 /nfs/dbraw/zinc/76/26/83/951762683.db2.gz MVQFHILNEOUKRN-ZBEGNZNMSA-N 1 0 390.473 -0.016 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575090757 951765421 /nfs/dbraw/zinc/76/54/21/951765421.db2.gz LQTCWXVUUPPLEZ-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575090758 951765411 /nfs/dbraw/zinc/76/54/11/951765411.db2.gz LQTCWXVUUPPLEZ-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090905 951765240 /nfs/dbraw/zinc/76/52/40/951765240.db2.gz NXKXWNMMCLTOFL-JTQLQIEISA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090906 951765610 /nfs/dbraw/zinc/76/56/10/951765610.db2.gz NXKXWNMMCLTOFL-SNVBAGLBSA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090988 951766534 /nfs/dbraw/zinc/76/65/34/951766534.db2.gz ORPSQLLCKJIXLC-BIMULSAOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090990 951765989 /nfs/dbraw/zinc/76/59/89/951765989.db2.gz ORPSQLLCKJIXLC-WQAKAFBOSA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091354 951776047 /nfs/dbraw/zinc/77/60/47/951776047.db2.gz PZYJAKUTEPZKSR-GWCFXTLKSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091360 951775757 /nfs/dbraw/zinc/77/57/57/951775757.db2.gz PZYJAKUTEPZKSR-MFKMUULPSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575091443 951777149 /nfs/dbraw/zinc/77/71/49/951777149.db2.gz RFMVTULFEBADCL-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575091444 951776605 /nfs/dbraw/zinc/77/66/05/951776605.db2.gz RFMVTULFEBADCL-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575091445 951776494 /nfs/dbraw/zinc/77/64/94/951776494.db2.gz RFMVTULFEBADCL-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575091446 951776462 /nfs/dbraw/zinc/77/64/62/951776462.db2.gz RFMVTULFEBADCL-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575091455 951776488 /nfs/dbraw/zinc/77/64/88/951776488.db2.gz RPACAGOZXYARGR-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575091456 951776583 /nfs/dbraw/zinc/77/65/83/951776583.db2.gz RPACAGOZXYARGR-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091479 951776590 /nfs/dbraw/zinc/77/65/90/951776590.db2.gz RZBCELVJQCRUHI-BXUZGUMPSA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091480 951777224 /nfs/dbraw/zinc/77/72/24/951777224.db2.gz RZBCELVJQCRUHI-FZMZJTMJSA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091481 951777342 /nfs/dbraw/zinc/77/73/42/951777342.db2.gz RZBCELVJQCRUHI-RISCZKNCSA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091482 951776829 /nfs/dbraw/zinc/77/68/29/951776829.db2.gz RZBCELVJQCRUHI-SMDDNHRTSA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CS(C)(=O)=O ZINC001575091535 951779136 /nfs/dbraw/zinc/77/91/36/951779136.db2.gz UHJMWSUOLDWWDK-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CS(C)(=O)=O ZINC001575091536 951778170 /nfs/dbraw/zinc/77/81/70/951778170.db2.gz UHJMWSUOLDWWDK-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091596 951779970 /nfs/dbraw/zinc/77/99/70/951779970.db2.gz SNVBMBCMPUGHLF-LLVKDONJSA-N 1 0 378.458 -0.247 20 0 GBADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091597 951779784 /nfs/dbraw/zinc/77/97/84/951779784.db2.gz SNVBMBCMPUGHLF-NSHDSACASA-N 1 0 378.458 -0.247 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091659 951780698 /nfs/dbraw/zinc/78/06/98/951780698.db2.gz UDOOZRXIIIXHPK-CYBMUJFWSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091660 951780384 /nfs/dbraw/zinc/78/03/84/951780384.db2.gz UDOOZRXIIIXHPK-ZDUSSCGKSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091761 951784067 /nfs/dbraw/zinc/78/40/67/951784067.db2.gz XRPLJCPEBWUCEV-UWVGGRQHSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575091762 951783876 /nfs/dbraw/zinc/78/38/76/951783876.db2.gz XRPLJCPEBWUCEV-ZJUUUORDSA-N 1 0 378.412 -0.001 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575091763 951783974 /nfs/dbraw/zinc/78/39/74/951783974.db2.gz XSVWNYQETCNMIG-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575091764 951783214 /nfs/dbraw/zinc/78/32/14/951783214.db2.gz XSVWNYQETCNMIG-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575091765 951784059 /nfs/dbraw/zinc/78/40/59/951784059.db2.gz XSVWNYQETCNMIG-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575091766 951784110 /nfs/dbraw/zinc/78/41/10/951784110.db2.gz XSVWNYQETCNMIG-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091951 951787228 /nfs/dbraw/zinc/78/72/28/951787228.db2.gz ZOMJTWSYIOENHA-LLVKDONJSA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091952 951787931 /nfs/dbraw/zinc/78/79/31/951787931.db2.gz ZOMJTWSYIOENHA-NSHDSACASA-N 1 0 388.411 -0.076 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575092037 951788801 /nfs/dbraw/zinc/78/88/01/951788801.db2.gz YKQTUMKWLRWCCJ-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575092038 951788825 /nfs/dbraw/zinc/78/88/25/951788825.db2.gz YKQTUMKWLRWCCJ-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575092039 951789814 /nfs/dbraw/zinc/78/98/14/951789814.db2.gz YKQTUMKWLRWCCJ-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575092040 951789586 /nfs/dbraw/zinc/78/95/86/951789586.db2.gz YKQTUMKWLRWCCJ-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092160 951790798 /nfs/dbraw/zinc/79/07/98/951790798.db2.gz AKUGYBAADSTRNM-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575092162 951791462 /nfs/dbraw/zinc/79/14/62/951791462.db2.gz AKUGYBAADSTRNM-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094223 951802452 /nfs/dbraw/zinc/80/24/52/951802452.db2.gz LXFHZGYRZMBNIX-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575094226 951802943 /nfs/dbraw/zinc/80/29/43/951802943.db2.gz LXFHZGYRZMBNIX-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575095066 951808197 /nfs/dbraw/zinc/80/81/97/951808197.db2.gz QOFCPQVBCBTJAD-LLVKDONJSA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575095067 951808638 /nfs/dbraw/zinc/80/86/38/951808638.db2.gz QOFCPQVBCBTJAD-NSHDSACASA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095461 951811796 /nfs/dbraw/zinc/81/17/96/951811796.db2.gz UFOLSOCMDHGGEM-BYCMXARLSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095462 951810726 /nfs/dbraw/zinc/81/07/26/951810726.db2.gz UFOLSOCMDHGGEM-TUKIKUTGSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095677 951812915 /nfs/dbraw/zinc/81/29/15/951812915.db2.gz VKVKKPSLMRNADJ-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575095679 951813124 /nfs/dbraw/zinc/81/31/24/951813124.db2.gz VKVKKPSLMRNADJ-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098379 951820986 /nfs/dbraw/zinc/82/09/86/951820986.db2.gz BXCKKEXGGOWLBD-JTQLQIEISA-N 1 0 391.461 -0.635 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098380 951822272 /nfs/dbraw/zinc/82/22/72/951822272.db2.gz BXCKKEXGGOWLBD-SNVBAGLBSA-N 1 0 391.461 -0.635 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575098477 951823900 /nfs/dbraw/zinc/82/39/00/951823900.db2.gz DNURWWAQTKVGBD-LLVKDONJSA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575098478 951823280 /nfs/dbraw/zinc/82/32/80/951823280.db2.gz DNURWWAQTKVGBD-NSHDSACASA-N 1 0 392.489 -0.704 20 0 GBADRO C[C@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098745 951826036 /nfs/dbraw/zinc/82/60/36/951826036.db2.gz FUPHTVKKUSXJED-JTQLQIEISA-N 1 0 376.450 -0.153 20 0 GBADRO C[C@@H](CNC(=O)CCn1cnnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098746 951825793 /nfs/dbraw/zinc/82/57/93/951825793.db2.gz FUPHTVKKUSXJED-SNVBAGLBSA-N 1 0 376.450 -0.153 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099005 951828434 /nfs/dbraw/zinc/82/84/34/951828434.db2.gz GWVQRJVUBFLXTF-LLVKDONJSA-N 1 0 392.489 -0.798 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099006 951827532 /nfs/dbraw/zinc/82/75/32/951827532.db2.gz GWVQRJVUBFLXTF-NSHDSACASA-N 1 0 392.489 -0.798 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575099530 951836744 /nfs/dbraw/zinc/83/67/44/951836744.db2.gz MPONATIYQBUHAA-GXSJLCMTSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575099531 951837923 /nfs/dbraw/zinc/83/79/23/951837923.db2.gz MPONATIYQBUHAA-KOLCDFICSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575099532 951837303 /nfs/dbraw/zinc/83/73/03/951837303.db2.gz MPONATIYQBUHAA-MWLCHTKSSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575099533 951837125 /nfs/dbraw/zinc/83/71/25/951837125.db2.gz MPONATIYQBUHAA-ONGXEEELSA-N 1 0 378.462 -0.112 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099550 951836726 /nfs/dbraw/zinc/83/67/26/951836726.db2.gz MZHDMVMDZADUEV-ADEWGFFLSA-N 1 0 393.473 -0.197 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099551 951837388 /nfs/dbraw/zinc/83/73/88/951837388.db2.gz MZHDMVMDZADUEV-ZMLRMANQSA-N 1 0 393.473 -0.197 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100563 951847988 /nfs/dbraw/zinc/84/79/88/951847988.db2.gz UGUGORVGXMQPMN-SCZZXKLOSA-N 1 0 392.445 -0.632 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100567 951846594 /nfs/dbraw/zinc/84/65/94/951846594.db2.gz UGUGORVGXMQPMN-WPRPVWTQSA-N 1 0 392.445 -0.632 20 0 GBADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100878 951849620 /nfs/dbraw/zinc/84/96/20/951849620.db2.gz VZYKJIDEZUIRFT-SECBINFHSA-N 1 0 384.487 -0.185 20 0 GBADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100880 951850683 /nfs/dbraw/zinc/85/06/83/951850683.db2.gz VZYKJIDEZUIRFT-VIFPVBQESA-N 1 0 384.487 -0.185 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101190 951855945 /nfs/dbraw/zinc/85/59/45/951855945.db2.gz ATKNMHFMOKYRLC-JLLWLGSASA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101191 951855656 /nfs/dbraw/zinc/85/56/56/951855656.db2.gz ATKNMHFMOKYRLC-WCQGTBRESA-N 1 0 375.408 -0.031 20 0 GBADRO C[C@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101192 951856088 /nfs/dbraw/zinc/85/60/88/951856088.db2.gz ATLVFDMKLQOLNK-JTQLQIEISA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@@H](CNC(=O)CCNC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101193 951855540 /nfs/dbraw/zinc/85/55/40/951855540.db2.gz ATLVFDMKLQOLNK-SNVBAGLBSA-N 1 0 378.412 -0.094 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575101508 951859889 /nfs/dbraw/zinc/85/98/89/951859889.db2.gz FZGKDKHTCVCSNU-SCZZXKLOSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575101509 951860085 /nfs/dbraw/zinc/86/00/85/951860085.db2.gz FZGKDKHTCVCSNU-WPRPVWTQSA-N 1 0 392.445 -0.537 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101758 951863116 /nfs/dbraw/zinc/86/31/16/951863116.db2.gz JINYOALPNOYNEV-NOZJJQNGSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101759 951864901 /nfs/dbraw/zinc/86/49/01/951864901.db2.gz JINYOALPNOYNEV-RNCFNFMXSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101760 951863650 /nfs/dbraw/zinc/86/36/50/951863650.db2.gz JINYOALPNOYNEV-TVQRCGJNSA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101761 951863524 /nfs/dbraw/zinc/86/35/24/951863524.db2.gz JINYOALPNOYNEV-ZANVPECISA-N 1 0 376.396 -0.471 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102397 951868880 /nfs/dbraw/zinc/86/88/80/951868880.db2.gz MNNAJRMVQGVWBZ-HZMBPMFUSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102398 951867668 /nfs/dbraw/zinc/86/76/68/951867668.db2.gz MNNAJRMVQGVWBZ-IINYFYTJSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102399 951868518 /nfs/dbraw/zinc/86/85/18/951868518.db2.gz MNNAJRMVQGVWBZ-QMTHXVAHSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102400 951867376 /nfs/dbraw/zinc/86/73/76/951867376.db2.gz MNNAJRMVQGVWBZ-YGRLFVJLSA-N 1 0 390.423 -0.129 20 0 GBADRO C[C@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103038 951874466 /nfs/dbraw/zinc/87/44/66/951874466.db2.gz RICAREYWMPJLAB-UWVGGRQHSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103039 951874018 /nfs/dbraw/zinc/87/40/18/951874018.db2.gz RICAREYWMPJLAB-ZJUUUORDSA-N 1 0 378.412 -0.096 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103266 951873550 /nfs/dbraw/zinc/87/35/50/951873550.db2.gz SDXJWIJHZLSDHY-NOZJJQNGSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103267 951873408 /nfs/dbraw/zinc/87/34/08/951873408.db2.gz SDXJWIJHZLSDHY-RNCFNFMXSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103268 951873369 /nfs/dbraw/zinc/87/33/69/951873369.db2.gz SDXJWIJHZLSDHY-TVQRCGJNSA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103271 951874497 /nfs/dbraw/zinc/87/44/97/951874497.db2.gz SDXJWIJHZLSDHY-ZANVPECISA-N 1 0 377.380 -0.044 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104427 951886468 /nfs/dbraw/zinc/88/64/68/951886468.db2.gz CGRHXQROZHSSAB-NOZJJQNGSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104428 951886028 /nfs/dbraw/zinc/88/60/28/951886028.db2.gz CGRHXQROZHSSAB-RNCFNFMXSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001575104429 951886779 /nfs/dbraw/zinc/88/67/79/951886779.db2.gz CGRHXQROZHSSAB-TVQRCGJNSA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001575104430 951885862 /nfs/dbraw/zinc/88/58/62/951885862.db2.gz CGRHXQROZHSSAB-ZANVPECISA-N 1 0 376.396 -0.376 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105416 951893915 /nfs/dbraw/zinc/89/39/15/951893915.db2.gz JEICPXUGUYZIEV-HZMBPMFUSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105417 951893890 /nfs/dbraw/zinc/89/38/90/951893890.db2.gz JEICPXUGUYZIEV-IINYFYTJSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575105418 951894241 /nfs/dbraw/zinc/89/42/41/951894241.db2.gz JEICPXUGUYZIEV-QMTHXVAHSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575105419 951894524 /nfs/dbraw/zinc/89/45/24/951894524.db2.gz JEICPXUGUYZIEV-YGRLFVJLSA-N 1 0 390.423 -0.034 20 0 GBADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575105444 951893807 /nfs/dbraw/zinc/89/38/07/951893807.db2.gz JTIYAPQRMMIYOJ-JTQLQIEISA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CS(C)(=O)=O ZINC001575105445 951893094 /nfs/dbraw/zinc/89/30/94/951893094.db2.gz JTIYAPQRMMIYOJ-SNVBAGLBSA-N 1 0 384.437 -0.013 20 0 GBADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105614 951896146 /nfs/dbraw/zinc/89/61/46/951896146.db2.gz LNFBGLNKMVWPDX-KBXCAEBGSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105615 951897174 /nfs/dbraw/zinc/89/71/74/951897174.db2.gz LNFBGLNKMVWPDX-KDOFPFPSSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575105616 951895139 /nfs/dbraw/zinc/89/51/39/951895139.db2.gz LNFBGLNKMVWPDX-KSSFIOAISA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575105617 951896967 /nfs/dbraw/zinc/89/69/67/951896967.db2.gz LNFBGLNKMVWPDX-RDTXWAMCSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105664 951898174 /nfs/dbraw/zinc/89/81/74/951898174.db2.gz MJMRTZKLRLVDMJ-CYBMUJFWSA-N 1 0 386.460 -0.860 20 0 GBADRO C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105665 951897738 /nfs/dbraw/zinc/89/77/38/951897738.db2.gz MJMRTZKLRLVDMJ-ZDUSSCGKSA-N 1 0 386.460 -0.860 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105672 951897816 /nfs/dbraw/zinc/89/78/16/951897816.db2.gz MRNGFTWRDQFMGR-CYBMUJFWSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105673 951898737 /nfs/dbraw/zinc/89/87/37/951898737.db2.gz MRNGFTWRDQFMGR-ZDUSSCGKSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106180 951903010 /nfs/dbraw/zinc/90/30/10/951903010.db2.gz QUIWBNZAMYTTPG-LLVKDONJSA-N 1 0 378.458 -0.247 20 0 GBADRO C[C@H](CNC(=O)C1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106183 951903367 /nfs/dbraw/zinc/90/33/67/951903367.db2.gz QUIWBNZAMYTTPG-NSHDSACASA-N 1 0 378.458 -0.247 20 0 GBADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106995 951909058 /nfs/dbraw/zinc/90/90/58/951909058.db2.gz XCMJQQHUQLOQGK-KRWDZBQOSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575106996 951911876 /nfs/dbraw/zinc/91/18/76/951911876.db2.gz XCMJQQHUQLOQGK-QGZVFWFLSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107041 951910826 /nfs/dbraw/zinc/91/08/26/951910826.db2.gz XRNWLUIDNFDDGW-LLVKDONJSA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107042 951911615 /nfs/dbraw/zinc/91/16/15/951911615.db2.gz XRNWLUIDNFDDGW-NSHDSACASA-N 1 0 385.428 -0.239 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107207 951916144 /nfs/dbraw/zinc/91/61/44/951916144.db2.gz BFOGJEXTNNTWCF-CYBMUJFWSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575107208 951915651 /nfs/dbraw/zinc/91/56/51/951915651.db2.gz BFOGJEXTNNTWCF-ZDUSSCGKSA-N 1 0 386.460 -0.765 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107415 951919308 /nfs/dbraw/zinc/91/93/08/951919308.db2.gz FEBIVUJBPBERLG-LLVKDONJSA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575107417 951919464 /nfs/dbraw/zinc/91/94/64/951919464.db2.gz FEBIVUJBPBERLG-NSHDSACASA-N 1 0 378.458 -0.152 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107615 951919706 /nfs/dbraw/zinc/91/97/06/951919706.db2.gz GOJNAGWNJNCIBC-BYCMXARLSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575107617 951919406 /nfs/dbraw/zinc/91/94/06/951919406.db2.gz GOJNAGWNJNCIBC-TUKIKUTGSA-N 1 0 387.444 -0.164 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107690 951921706 /nfs/dbraw/zinc/92/17/06/951921706.db2.gz HWXORXOFGZTFSC-GWCFXTLKSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575107691 951921265 /nfs/dbraw/zinc/92/12/65/951921265.db2.gz HWXORXOFGZTFSC-MFKMUULPSA-N 1 0 386.416 -0.599 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107908 951921747 /nfs/dbraw/zinc/92/17/47/951921747.db2.gz IJKKEPRSIUEZPP-CYBMUJFWSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CN1CCOCC1=O ZINC001575107909 951921025 /nfs/dbraw/zinc/92/10/25/951921025.db2.gz IJKKEPRSIUEZPP-ZDUSSCGKSA-N 1 0 387.444 -0.338 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108757 951925903 /nfs/dbraw/zinc/92/59/03/951925903.db2.gz NGHNEVYIFWAXPV-BYCMXARLSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108759 951926150 /nfs/dbraw/zinc/92/61/50/951926150.db2.gz NGHNEVYIFWAXPV-TUKIKUTGSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108783 951926074 /nfs/dbraw/zinc/92/60/74/951926074.db2.gz NLWQIHHYRIBZAB-GWCFXTLKSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108785 951925953 /nfs/dbraw/zinc/92/59/53/951925953.db2.gz NLWQIHHYRIBZAB-MFKMUULPSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109571 951931663 /nfs/dbraw/zinc/93/16/63/951931663.db2.gz SOYPQIAQMGVPNR-GFCCVEGCSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575109572 951932089 /nfs/dbraw/zinc/93/20/89/951932089.db2.gz SOYPQIAQMGVPNR-LBPRGKRZSA-N 1 0 385.432 -0.601 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110250 951937990 /nfs/dbraw/zinc/93/79/90/951937990.db2.gz YVAXKYQVXKPXIR-GFCCVEGCSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110251 951937289 /nfs/dbraw/zinc/93/72/89/951937289.db2.gz YVAXKYQVXKPXIR-LBPRGKRZSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110264 951937067 /nfs/dbraw/zinc/93/70/67/951937067.db2.gz ZAAVTYNGXJKMBJ-BXUZGUMPSA-N 1 0 385.428 -0.144 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110265 951940170 /nfs/dbraw/zinc/94/01/70/951940170.db2.gz ZAAVTYNGXJKMBJ-FZMZJTMJSA-N 1 0 385.428 -0.144 20 0 GBADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001575110266 951939436 /nfs/dbraw/zinc/93/94/36/951939436.db2.gz ZAAVTYNGXJKMBJ-RISCZKNCSA-N 1 0 385.428 -0.144 20 0 GBADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001575110267 951939410 /nfs/dbraw/zinc/93/94/10/951939410.db2.gz ZAAVTYNGXJKMBJ-SMDDNHRTSA-N 1 0 385.428 -0.144 20 0 GBADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113389 951940940 /nfs/dbraw/zinc/94/09/40/951940940.db2.gz AONLRZGHAAYLPD-KBXCAEBGSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113390 951940719 /nfs/dbraw/zinc/94/07/19/951940719.db2.gz AONLRZGHAAYLPD-KDOFPFPSSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575113391 951941423 /nfs/dbraw/zinc/94/14/23/951941423.db2.gz AONLRZGHAAYLPD-KSSFIOAISA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575113392 951941962 /nfs/dbraw/zinc/94/19/62/951941962.db2.gz AONLRZGHAAYLPD-RDTXWAMCSA-N 1 0 384.444 -0.077 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113395 951941359 /nfs/dbraw/zinc/94/13/59/951941359.db2.gz AUIBBNJYQOQBPA-GWCFXTLKSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113396 951941631 /nfs/dbraw/zinc/94/16/31/951941631.db2.gz AUIBBNJYQOQBPA-MFKMUULPSA-N 1 0 386.416 -0.693 20 0 GBADRO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113657 951943572 /nfs/dbraw/zinc/94/35/72/951943572.db2.gz CTILGHYWNRHAIT-BYCMXARLSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113658 951942811 /nfs/dbraw/zinc/94/28/11/951942811.db2.gz CTILGHYWNRHAIT-TUKIKUTGSA-N 1 0 387.444 -0.259 20 0 GBADRO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114562 951956297 /nfs/dbraw/zinc/95/62/97/951956297.db2.gz QFNDGWGEGKUOLP-GFCCVEGCSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@H](CNC(=O)Cn1ncn(C)c1=O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114563 951956813 /nfs/dbraw/zinc/95/68/13/951956813.db2.gz QFNDGWGEGKUOLP-LBPRGKRZSA-N 1 0 385.432 -0.696 20 0 GBADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115090 951961121 /nfs/dbraw/zinc/96/11/21/951961121.db2.gz UMPMREQHQYYVBD-KRWDZBQOSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575115092 951960249 /nfs/dbraw/zinc/96/02/49/951960249.db2.gz UMPMREQHQYYVBD-QGZVFWFLSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115134 951962300 /nfs/dbraw/zinc/96/23/00/951962300.db2.gz UYNDPEUJDMJSAN-CYBMUJFWSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@H](CNC(=O)CN1CCOCC1=O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115136 951962268 /nfs/dbraw/zinc/96/22/68/951962268.db2.gz UYNDPEUJDMJSAN-ZDUSSCGKSA-N 1 0 387.444 -0.433 20 0 GBADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115207 951961996 /nfs/dbraw/zinc/96/19/96/951961996.db2.gz VUTFRDHXVSWZRG-KRWDZBQOSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575115208 951962249 /nfs/dbraw/zinc/96/22/49/951962249.db2.gz VUTFRDHXVSWZRG-QGZVFWFLSA-N 1 0 382.432 -0.072 20 0 GBADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1nnc2n1CCOC2 ZINC001575116275 951970611 /nfs/dbraw/zinc/97/06/11/951970611.db2.gz CCPNSHWGHPVODY-JTQLQIEISA-N 1 0 386.420 -0.528 20 0 GBADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1nnc2n1CCOC2 ZINC001575116276 951970805 /nfs/dbraw/zinc/97/08/05/951970805.db2.gz CCPNSHWGHPVODY-SNVBAGLBSA-N 1 0 386.420 -0.528 20 0 GBADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ncnn1CCF ZINC001575116303 951970337 /nfs/dbraw/zinc/97/03/37/951970337.db2.gz CURMIUNMPKNBQO-JTQLQIEISA-N 1 0 376.400 -0.089 20 0 GBADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ncnn1CCF ZINC001575116304 951971056 /nfs/dbraw/zinc/97/10/56/951971056.db2.gz CURMIUNMPKNBQO-SNVBAGLBSA-N 1 0 376.400 -0.089 20 0 GBADRO C[C@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575116497 951970474 /nfs/dbraw/zinc/97/04/74/951970474.db2.gz CVEYNFCERRTGRL-MNOVXSKESA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@@H](C[NH2+][C@@H](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CS(C)(=O)=O ZINC001575116498 951970413 /nfs/dbraw/zinc/97/04/13/951970413.db2.gz CVEYNFCERRTGRL-QWRGUYRKSA-N 1 0 383.478 -0.027 20 0 GBADRO C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575116733 951971568 /nfs/dbraw/zinc/97/15/68/951971568.db2.gz HBTYTEURJHLAKQ-GARJFASQSA-N 1 0 381.462 -0.274 20 0 GBADRO C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)CS(C)(=O)=O ZINC001575116734 951972231 /nfs/dbraw/zinc/97/22/31/951972231.db2.gz 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383.416 -0.017 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575147411 952200040 /nfs/dbraw/zinc/20/00/40/952200040.db2.gz SQICJJNOLDNRID-NSHDSACASA-N 1 0 383.416 -0.017 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575147416 952200103 /nfs/dbraw/zinc/20/01/03/952200103.db2.gz STLPAAQXHOPQDT-GFCCVEGCSA-N 1 0 383.416 -0.411 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575147417 952199916 /nfs/dbraw/zinc/19/99/16/952199916.db2.gz STLPAAQXHOPQDT-LBPRGKRZSA-N 1 0 383.416 -0.411 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575147438 952199693 /nfs/dbraw/zinc/19/96/93/952199693.db2.gz TXWRCECMNBQUKW-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575147439 952199823 /nfs/dbraw/zinc/19/98/23/952199823.db2.gz TXWRCECMNBQUKW-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575147742 952201310 /nfs/dbraw/zinc/20/13/10/952201310.db2.gz VLIWFBRYKWCEIL-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575147744 952201347 /nfs/dbraw/zinc/20/13/47/952201347.db2.gz VLIWFBRYKWCEIL-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccn2nnnc12 ZINC001575147843 952201190 /nfs/dbraw/zinc/20/11/90/952201190.db2.gz WJGXKJTWGOYLAP-JTQLQIEISA-N 1 0 379.388 -0.306 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccn2nnnc12 ZINC001575147846 952200851 /nfs/dbraw/zinc/20/08/51/952200851.db2.gz WJGXKJTWGOYLAP-SNVBAGLBSA-N 1 0 379.388 -0.306 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575148089 952201967 /nfs/dbraw/zinc/20/19/67/952201967.db2.gz XHGAXMCVZAOTSQ-SECBINFHSA-N 1 0 382.388 -0.855 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575148091 952202290 /nfs/dbraw/zinc/20/22/90/952202290.db2.gz XHGAXMCVZAOTSQ-VIFPVBQESA-N 1 0 382.388 -0.855 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575148124 952202197 /nfs/dbraw/zinc/20/21/97/952202197.db2.gz XOIUIKOJCVFRBE-JTQLQIEISA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575148126 952202733 /nfs/dbraw/zinc/20/27/33/952202733.db2.gz XOIUIKOJCVFRBE-SNVBAGLBSA-N 1 0 381.400 -0.250 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575148140 952202689 /nfs/dbraw/zinc/20/26/89/952202689.db2.gz XZHRILYUMSOLNE-JTQLQIEISA-N 1 0 385.436 -0.002 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575148141 952201932 /nfs/dbraw/zinc/20/19/32/952201932.db2.gz XZHRILYUMSOLNE-SNVBAGLBSA-N 1 0 385.436 -0.002 20 0 GBADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575148188 952202476 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1 0 381.462 -0.163 20 0 GBADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575184787 952424418 /nfs/dbraw/zinc/42/44/18/952424418.db2.gz CMCPPQCMVIGKJI-JTQLQIEISA-N 1 0 379.446 -0.575 20 0 GBADRO C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575184788 952424652 /nfs/dbraw/zinc/42/46/52/952424652.db2.gz CMCPPQCMVIGKJI-SNVBAGLBSA-N 1 0 379.446 -0.575 20 0 GBADRO C[C@@H](CCNC(=O)[C@H](C)CS(C)(=O)=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575184815 952424488 /nfs/dbraw/zinc/42/44/88/952424488.db2.gz DBCBZKJVOHJLOL-MNOVXSKESA-N 1 0 381.462 -0.329 20 0 GBADRO C[C@@H](CS(C)(=O)=O)C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575184816 952423925 /nfs/dbraw/zinc/42/39/25/952423925.db2.gz DBCBZKJVOHJLOL-QWRGUYRKSA-N 1 0 381.462 -0.329 20 0 GBADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575184933 952425722 /nfs/dbraw/zinc/42/57/22/952425722.db2.gz HOLCDWODKYUGGK-GHMZBOCLSA-N 1 0 381.462 -0.377 20 0 GBADRO 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C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001575270097 949570073 /nfs/dbraw/zinc/57/00/73/949570073.db2.gz BCDKUESWXADZET-BXUZGUMPSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001575270098 949573180 /nfs/dbraw/zinc/57/31/80/949573180.db2.gz BCDKUESWXADZET-FZMZJTMJSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001575270099 949571310 /nfs/dbraw/zinc/57/13/10/949571310.db2.gz BCDKUESWXADZET-RISCZKNCSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001575270100 949570938 /nfs/dbraw/zinc/57/09/38/949570938.db2.gz BCDKUESWXADZET-SMDDNHRTSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001575272258 949637377 /nfs/dbraw/zinc/63/73/77/949637377.db2.gz OBJVDQUSIUXFEI-BXUZGUMPSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001575272259 949637099 /nfs/dbraw/zinc/63/70/99/949637099.db2.gz OBJVDQUSIUXFEI-FZMZJTMJSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001575272260 949637280 /nfs/dbraw/zinc/63/72/80/949637280.db2.gz OBJVDQUSIUXFEI-RISCZKNCSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001575272261 949637403 /nfs/dbraw/zinc/63/74/03/949637403.db2.gz OBJVDQUSIUXFEI-SMDDNHRTSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001575273603 949668978 /nfs/dbraw/zinc/66/89/78/949668978.db2.gz XLVCTNPQDFUICV-BXUZGUMPSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001575273604 949669841 /nfs/dbraw/zinc/66/98/41/949669841.db2.gz XLVCTNPQDFUICV-FZMZJTMJSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001575273605 949670126 /nfs/dbraw/zinc/67/01/26/949670126.db2.gz XLVCTNPQDFUICV-RISCZKNCSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001575273606 949670264 /nfs/dbraw/zinc/67/02/64/949670264.db2.gz XLVCTNPQDFUICV-SMDDNHRTSA-N 1 0 390.448 -0.508 20 0 GBADRO C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273870 949677304 /nfs/dbraw/zinc/67/73/04/949677304.db2.gz YORQKTZALULMFY-NXEZZACHSA-N 1 0 382.450 -0.943 20 0 GBADRO C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273872 949678152 /nfs/dbraw/zinc/67/81/52/949678152.db2.gz YORQKTZALULMFY-UWVGGRQHSA-N 1 0 382.450 -0.943 20 0 GBADRO C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273874 949676327 /nfs/dbraw/zinc/67/63/27/949676327.db2.gz YORQKTZALULMFY-VHSXEESVSA-N 1 0 382.450 -0.943 20 0 GBADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575273876 949678488 /nfs/dbraw/zinc/67/84/88/949678488.db2.gz YORQKTZALULMFY-ZJUUUORDSA-N 1 0 382.450 -0.943 20 0 GBADRO C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281293 949806071 /nfs/dbraw/zinc/80/60/71/949806071.db2.gz FIRMWLFSYIMQMR-GHMZBOCLSA-N 1 0 386.420 -0.666 20 0 GBADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575281294 949809339 /nfs/dbraw/zinc/80/93/39/949809339.db2.gz FIRMWLFSYIMQMR-MNOVXSKESA-N 1 0 386.420 -0.666 20 0 GBADRO C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281295 949810071 /nfs/dbraw/zinc/81/00/71/949810071.db2.gz FIRMWLFSYIMQMR-QWRGUYRKSA-N 1 0 386.420 -0.666 20 0 GBADRO C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281296 949806744 /nfs/dbraw/zinc/80/67/44/949806744.db2.gz FIRMWLFSYIMQMR-WDEREUQCSA-N 1 0 386.420 -0.666 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281305 949809951 /nfs/dbraw/zinc/80/99/51/949809951.db2.gz FNXSVVLTVJNHIB-GHMZBOCLSA-N 1 0 381.462 -0.188 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281306 949805464 /nfs/dbraw/zinc/80/54/64/949805464.db2.gz FNXSVVLTVJNHIB-MNOVXSKESA-N 1 0 381.462 -0.188 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281307 949806787 /nfs/dbraw/zinc/80/67/87/949806787.db2.gz FNXSVVLTVJNHIB-QWRGUYRKSA-N 1 0 381.462 -0.188 20 0 GBADRO CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281308 949805419 /nfs/dbraw/zinc/80/54/19/949805419.db2.gz FNXSVVLTVJNHIB-WDEREUQCSA-N 1 0 381.462 -0.188 20 0 GBADRO C[C@H](NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283375 949864949 /nfs/dbraw/zinc/86/49/49/949864949.db2.gz OMSZACSGGNVMBK-GWCFXTLKSA-N 1 0 390.448 -0.868 20 0 GBADRO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283377 949865048 /nfs/dbraw/zinc/86/50/48/949865048.db2.gz OMSZACSGGNVMBK-GXFFZTMASA-N 1 0 390.448 -0.868 20 0 GBADRO C[C@@H](NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283379 949864755 /nfs/dbraw/zinc/86/47/55/949864755.db2.gz OMSZACSGGNVMBK-MFKMUULPSA-N 1 0 390.448 -0.868 20 0 GBADRO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575283381 949863421 /nfs/dbraw/zinc/86/34/21/949863421.db2.gz OMSZACSGGNVMBK-ZWNOBZJWSA-N 1 0 390.448 -0.868 20 0 GBADRO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283764 949885699 /nfs/dbraw/zinc/88/56/99/949885699.db2.gz HMZRLIYBOABCMQ-JTQLQIEISA-N 1 0 388.461 -0.059 20 0 GBADRO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283766 949887525 /nfs/dbraw/zinc/88/75/25/949887525.db2.gz HMZRLIYBOABCMQ-SNVBAGLBSA-N 1 0 388.461 -0.059 20 0 GBADRO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575283976 949890790 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C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCNC(=O)C1 ZINC001575572600 949980121 /nfs/dbraw/zinc/98/01/21/949980121.db2.gz HCDMHZHNSMUJAD-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCNC(=O)C1 ZINC001575572601 949977438 /nfs/dbraw/zinc/97/74/38/949977438.db2.gz HCDMHZHNSMUJAD-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCNC(=O)C1 ZINC001575572602 949979971 /nfs/dbraw/zinc/97/99/71/949979971.db2.gz HCDMHZHNSMUJAD-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCNC1=O ZINC001575572869 949981966 /nfs/dbraw/zinc/98/19/66/949981966.db2.gz IQTAIPOXMSQGPB-BJOHPYRUSA-N 1 0 379.446 -0.979 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCNC1=O ZINC001575572870 949983776 /nfs/dbraw/zinc/98/37/76/949983776.db2.gz IQTAIPOXMSQGPB-PSLIRLAXSA-N 1 0 379.446 -0.979 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCNC1=O ZINC001575572871 949983651 /nfs/dbraw/zinc/98/36/51/949983651.db2.gz IQTAIPOXMSQGPB-RFAUZJTJSA-N 1 0 379.446 -0.979 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCNC1=O ZINC001575572872 949981930 /nfs/dbraw/zinc/98/19/30/949981930.db2.gz IQTAIPOXMSQGPB-VFZGTOFNSA-N 1 0 379.446 -0.979 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575572937 949982170 /nfs/dbraw/zinc/98/21/70/949982170.db2.gz JUAVEBGWQLMXGM-ACJLOTCBSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575572939 949982051 /nfs/dbraw/zinc/98/20/51/949982051.db2.gz JUAVEBGWQLMXGM-FZKQIMNGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575572941 949982284 /nfs/dbraw/zinc/98/22/84/949982284.db2.gz JUAVEBGWQLMXGM-SCLBCKFNSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575572942 949983921 /nfs/dbraw/zinc/98/39/21/949983921.db2.gz JUAVEBGWQLMXGM-UGSOOPFHSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575573339 949993769 /nfs/dbraw/zinc/99/37/69/949993769.db2.gz MBRXVEUKNKQBOT-KBXCAEBGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575573340 949992645 /nfs/dbraw/zinc/99/26/45/949992645.db2.gz MBRXVEUKNKQBOT-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575573342 949991681 /nfs/dbraw/zinc/99/16/81/949991681.db2.gz MBRXVEUKNKQBOT-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575573343 949992752 /nfs/dbraw/zinc/99/27/52/949992752.db2.gz MBRXVEUKNKQBOT-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575574603 950029173 /nfs/dbraw/zinc/02/91/73/950029173.db2.gz XKCJBNNWGCJILX-KBXCAEBGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575574604 950029199 /nfs/dbraw/zinc/02/91/99/950029199.db2.gz XKCJBNNWGCJILX-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575574605 950026408 /nfs/dbraw/zinc/02/64/08/950026408.db2.gz XKCJBNNWGCJILX-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575574606 950028295 /nfs/dbraw/zinc/02/82/95/950028295.db2.gz XKCJBNNWGCJILX-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575574659 950028638 /nfs/dbraw/zinc/02/86/38/950028638.db2.gz XKSHICCYBXAQMG-PXAZEXFGSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575574660 950028136 /nfs/dbraw/zinc/02/81/36/950028136.db2.gz XKSHICCYBXAQMG-SJCJKPOMSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575574661 950028468 /nfs/dbraw/zinc/02/84/68/950028468.db2.gz XKSHICCYBXAQMG-SJKOYZFVSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575574662 950027808 /nfs/dbraw/zinc/02/78/08/950027808.db2.gz XKSHICCYBXAQMG-YVEFUNNKSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC(=O)NC1 ZINC001575574680 950028197 /nfs/dbraw/zinc/02/81/97/950028197.db2.gz XOZCTOGOKLHTTQ-KBXCAEBGSA-N 1 0 384.444 -0.093 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC(=O)NC1 ZINC001575574682 950027057 /nfs/dbraw/zinc/02/70/57/950027057.db2.gz XOZCTOGOKLHTTQ-KDOFPFPSSA-N 1 0 384.444 -0.093 20 0 GBADRO C[C@]1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC(=O)NC1 ZINC001575574684 950025851 /nfs/dbraw/zinc/02/58/51/950025851.db2.gz XOZCTOGOKLHTTQ-KSSFIOAISA-N 1 0 384.444 -0.093 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC(=O)NC1 ZINC001575574685 950028312 /nfs/dbraw/zinc/02/83/12/950028312.db2.gz XOZCTOGOKLHTTQ-RDTXWAMCSA-N 1 0 384.444 -0.093 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575574821 950030476 /nfs/dbraw/zinc/03/04/76/950030476.db2.gz AJMOGJNIVIIOKT-ACJLOTCBSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575574822 950033645 /nfs/dbraw/zinc/03/36/45/950033645.db2.gz AJMOGJNIVIIOKT-FZKQIMNGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575574823 950032179 /nfs/dbraw/zinc/03/21/79/950032179.db2.gz AJMOGJNIVIIOKT-SCLBCKFNSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575574824 950029476 /nfs/dbraw/zinc/02/94/76/950029476.db2.gz AJMOGJNIVIIOKT-UGSOOPFHSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574825 950031329 /nfs/dbraw/zinc/03/13/29/950031329.db2.gz AJTNKQNXHFMMAJ-CXAGYDPISA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574826 950029600 /nfs/dbraw/zinc/02/96/00/950029600.db2.gz AJTNKQNXHFMMAJ-DYVFJYSZSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574827 950032920 /nfs/dbraw/zinc/03/29/20/950032920.db2.gz AJTNKQNXHFMMAJ-GUYCJALGSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574828 950031655 /nfs/dbraw/zinc/03/16/55/950031655.db2.gz AJTNKQNXHFMMAJ-SUMWQHHRSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574854 950029795 /nfs/dbraw/zinc/02/97/95/950029795.db2.gz ZSPRGGSWVZPAHR-CXAGYDPISA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574856 950032003 /nfs/dbraw/zinc/03/20/03/950032003.db2.gz ZSPRGGSWVZPAHR-DYVFJYSZSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574858 950030025 /nfs/dbraw/zinc/03/00/25/950030025.db2.gz ZSPRGGSWVZPAHR-GUYCJALGSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575574860 950030074 /nfs/dbraw/zinc/03/00/74/950030074.db2.gz ZSPRGGSWVZPAHR-SUMWQHHRSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCNC(=O)C1 ZINC001575575036 950035040 /nfs/dbraw/zinc/03/50/40/950035040.db2.gz CLMKQUUAGRAYJZ-KBXCAEBGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCNC(=O)C1 ZINC001575575037 950038441 /nfs/dbraw/zinc/03/84/41/950038441.db2.gz CLMKQUUAGRAYJZ-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCNC(=O)C1 ZINC001575575038 950038203 /nfs/dbraw/zinc/03/82/03/950038203.db2.gz CLMKQUUAGRAYJZ-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCNC(=O)C1 ZINC001575575039 950034233 /nfs/dbraw/zinc/03/42/33/950034233.db2.gz CLMKQUUAGRAYJZ-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575575116 950039698 /nfs/dbraw/zinc/03/96/98/950039698.db2.gz FATTZFDXOSTGKU-KBXCAEBGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575575117 950039228 /nfs/dbraw/zinc/03/92/28/950039228.db2.gz FATTZFDXOSTGKU-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575575118 950040862 /nfs/dbraw/zinc/04/08/62/950040862.db2.gz FATTZFDXOSTGKU-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC(=O)NC1 ZINC001575575119 950042300 /nfs/dbraw/zinc/04/23/00/950042300.db2.gz FATTZFDXOSTGKU-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575575259 950046570 /nfs/dbraw/zinc/04/65/70/950046570.db2.gz HIKFKKUUBADHKA-KBXCAEBGSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575575260 950046368 /nfs/dbraw/zinc/04/63/68/950046368.db2.gz HIKFKKUUBADHKA-KDOFPFPSSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575575261 950044989 /nfs/dbraw/zinc/04/49/89/950044989.db2.gz HIKFKKUUBADHKA-KSSFIOAISA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001575575262 950047642 /nfs/dbraw/zinc/04/76/42/950047642.db2.gz HIKFKKUUBADHKA-RDTXWAMCSA-N 1 0 387.444 -0.650 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575575443 950052494 /nfs/dbraw/zinc/05/24/94/950052494.db2.gz JIIDKNBXOPWYNI-PXAZEXFGSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575575444 950051131 /nfs/dbraw/zinc/05/11/31/950051131.db2.gz JIIDKNBXOPWYNI-SJCJKPOMSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575575445 950051705 /nfs/dbraw/zinc/05/17/05/950051705.db2.gz JIIDKNBXOPWYNI-SJKOYZFVSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575575446 950051596 /nfs/dbraw/zinc/05/15/96/950051596.db2.gz JIIDKNBXOPWYNI-YVEFUNNKSA-N 1 0 378.408 -0.001 20 0 GBADRO 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C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575575889 950059680 /nfs/dbraw/zinc/05/96/80/950059680.db2.gz MXQAYYZPDKJHMY-SJCJKPOMSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575575890 950060160 /nfs/dbraw/zinc/06/01/60/950060160.db2.gz MXQAYYZPDKJHMY-SJKOYZFVSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575575891 950061498 /nfs/dbraw/zinc/06/14/98/950061498.db2.gz MXQAYYZPDKJHMY-YVEFUNNKSA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOC1 ZINC001575576142 950064141 /nfs/dbraw/zinc/06/41/41/950064141.db2.gz OLFGJVQYOKJJLM-CXAGYDPISA-N 1 0 378.408 -0.001 20 0 GBADRO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOC1 ZINC001575576143 950066418 /nfs/dbraw/zinc/06/64/18/950066418.db2.gz OLFGJVQYOKJJLM-DYVFJYSZSA-N 1 0 378.408 -0.001 20 0 GBADRO 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C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901663 950239195 /nfs/dbraw/zinc/23/91/95/950239195.db2.gz PNUQDXRYACICLV-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901664 950238757 /nfs/dbraw/zinc/23/87/57/950238757.db2.gz PNUQDXRYACICLV-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1ncnn1 ZINC001575901665 950236348 /nfs/dbraw/zinc/23/63/48/950236348.db2.gz PNUQDXRYACICLV-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902257 950256211 /nfs/dbraw/zinc/25/62/11/950256211.db2.gz UCDQSXCYGREBJB-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902258 950256143 /nfs/dbraw/zinc/25/61/43/950256143.db2.gz UCDQSXCYGREBJB-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902259 950255718 /nfs/dbraw/zinc/25/57/18/950255718.db2.gz UCDQSXCYGREBJB-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cnnn1 ZINC001575902260 950256232 /nfs/dbraw/zinc/25/62/32/950256232.db2.gz UCDQSXCYGREBJB-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905387 950296141 /nfs/dbraw/zinc/29/61/41/950296141.db2.gz CCQLVNQZYWYHMT-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905389 950293136 /nfs/dbraw/zinc/29/31/36/950293136.db2.gz CCQLVNQZYWYHMT-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905392 950296574 /nfs/dbraw/zinc/29/65/74/950296574.db2.gz CCQLVNQZYWYHMT-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1ncnn1 ZINC001575905393 950295798 /nfs/dbraw/zinc/29/57/98/950295798.db2.gz CCQLVNQZYWYHMT-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906013 950304111 /nfs/dbraw/zinc/30/41/11/950304111.db2.gz FXUKJSIPMFRGSO-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906014 950304177 /nfs/dbraw/zinc/30/41/77/950304177.db2.gz FXUKJSIPMFRGSO-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906015 950304060 /nfs/dbraw/zinc/30/40/60/950304060.db2.gz FXUKJSIPMFRGSO-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cn1cnnn1 ZINC001575906016 950304240 /nfs/dbraw/zinc/30/42/40/950304240.db2.gz FXUKJSIPMFRGSO-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CS(C)(=O)=O ZINC001575907336 950330419 /nfs/dbraw/zinc/33/04/19/950330419.db2.gz NINRXUZCWDUODZ-BXUZGUMPSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CS(C)(=O)=O ZINC001575907337 950330310 /nfs/dbraw/zinc/33/03/10/950330310.db2.gz NINRXUZCWDUODZ-FZMZJTMJSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CS(C)(=O)=O ZINC001575907338 950330402 /nfs/dbraw/zinc/33/04/02/950330402.db2.gz NINRXUZCWDUODZ-RISCZKNCSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CS(C)(=O)=O ZINC001575907339 950329261 /nfs/dbraw/zinc/32/92/61/950329261.db2.gz NINRXUZCWDUODZ-SMDDNHRTSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908008 950352572 /nfs/dbraw/zinc/35/25/72/950352572.db2.gz SOCULWWOZOWULM-ABAIWWIYSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908009 950350193 /nfs/dbraw/zinc/35/01/93/950350193.db2.gz SOCULWWOZOWULM-IAQYHMDHSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908010 950351131 /nfs/dbraw/zinc/35/11/31/950351131.db2.gz SOCULWWOZOWULM-NHYWBVRUSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575908011 950350230 /nfs/dbraw/zinc/35/02/30/950350230.db2.gz SOCULWWOZOWULM-XHDPSFHLSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cn1cnnn1 ZINC001575908596 950373061 /nfs/dbraw/zinc/37/30/61/950373061.db2.gz VPTGGFQEXVXAEZ-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cn1cnnn1 ZINC001575908597 950374797 /nfs/dbraw/zinc/37/47/97/950374797.db2.gz VPTGGFQEXVXAEZ-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cn1cnnn1 ZINC001575908598 950375217 /nfs/dbraw/zinc/37/52/17/950375217.db2.gz VPTGGFQEXVXAEZ-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cn1cnnn1 ZINC001575908599 950374370 /nfs/dbraw/zinc/37/43/70/950374370.db2.gz VPTGGFQEXVXAEZ-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909265 950392412 /nfs/dbraw/zinc/39/24/12/950392412.db2.gz YDTLVBMVMUWALJ-NOZJJQNGSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909268 950393157 /nfs/dbraw/zinc/39/31/57/950393157.db2.gz YDTLVBMVMUWALJ-RNCFNFMXSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909269 950389494 /nfs/dbraw/zinc/38/94/94/950389494.db2.gz YDTLVBMVMUWALJ-TVQRCGJNSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1nnn(C)n1 ZINC001575909271 950392472 /nfs/dbraw/zinc/39/24/72/950392472.db2.gz YDTLVBMVMUWALJ-ZANVPECISA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909302 950390835 /nfs/dbraw/zinc/39/08/35/950390835.db2.gz YTEQHSQXAWRNAA-HZMBPMFUSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909303 950390713 /nfs/dbraw/zinc/39/07/13/950390713.db2.gz YTEQHSQXAWRNAA-IINYFYTJSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909305 950393222 /nfs/dbraw/zinc/39/32/22/950393222.db2.gz YTEQHSQXAWRNAA-QMTHXVAHSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001575909306 950393091 /nfs/dbraw/zinc/39/30/91/950393091.db2.gz YTEQHSQXAWRNAA-YGRLFVJLSA-N 1 0 386.395 -0.229 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nnn(C)n1 ZINC001575909316 950398488 /nfs/dbraw/zinc/39/84/88/950398488.db2.gz YUCANFPMFPVEKW-NOZJJQNGSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nnn(C)n1 ZINC001575909318 950395516 /nfs/dbraw/zinc/39/55/16/950395516.db2.gz YUCANFPMFPVEKW-RNCFNFMXSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nnn(C)n1 ZINC001575909320 950396637 /nfs/dbraw/zinc/39/66/37/950396637.db2.gz YUCANFPMFPVEKW-TVQRCGJNSA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nnn(C)n1 ZINC001575909322 950397745 /nfs/dbraw/zinc/39/77/45/950397745.db2.gz YUCANFPMFPVEKW-ZANVPECISA-N 1 0 386.395 -0.078 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910612 950426100 /nfs/dbraw/zinc/42/61/00/950426100.db2.gz MKXVERJPQUEZBG-ABAIWWIYSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910613 950424573 /nfs/dbraw/zinc/42/45/73/950424573.db2.gz MKXVERJPQUEZBG-IAQYHMDHSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910614 950424536 /nfs/dbraw/zinc/42/45/36/950424536.db2.gz MKXVERJPQUEZBG-NHYWBVRUSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575910615 950423627 /nfs/dbraw/zinc/42/36/27/950423627.db2.gz MKXVERJPQUEZBG-XHDPSFHLSA-N 1 0 390.469 -0.010 20 0 GBADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CS(C)(=O)=O ZINC001575912172 950461315 /nfs/dbraw/zinc/46/13/15/950461315.db2.gz QCMIKBJSROTHEI-BXUZGUMPSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CS(C)(=O)=O ZINC001575912173 950459399 /nfs/dbraw/zinc/45/93/99/950459399.db2.gz QCMIKBJSROTHEI-FZMZJTMJSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CS(C)(=O)=O ZINC001575912174 950460833 /nfs/dbraw/zinc/46/08/33/950460833.db2.gz QCMIKBJSROTHEI-RISCZKNCSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CS(C)(=O)=O ZINC001575912175 950460955 /nfs/dbraw/zinc/46/09/55/950460955.db2.gz QCMIKBJSROTHEI-SMDDNHRTSA-N 1 0 378.458 -0.010 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575919030 950603463 /nfs/dbraw/zinc/60/34/63/950603463.db2.gz FPECOURFAQZADI-GWCFXTLKSA-N 1 0 391.457 -0.480 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575919033 950606120 /nfs/dbraw/zinc/60/61/20/950606120.db2.gz FPECOURFAQZADI-GXFFZTMASA-N 1 0 391.457 -0.480 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575919035 950606328 /nfs/dbraw/zinc/60/63/28/950606328.db2.gz FPECOURFAQZADI-MFKMUULPSA-N 1 0 391.457 -0.480 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575919037 950606219 /nfs/dbraw/zinc/60/62/19/950606219.db2.gz FPECOURFAQZADI-ZWNOBZJWSA-N 1 0 391.457 -0.480 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575923454 950658788 /nfs/dbraw/zinc/65/87/88/950658788.db2.gz BOOPHEGZCFAWLQ-CMPLNLGQSA-N 1 0 381.400 -0.508 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575923457 950658849 /nfs/dbraw/zinc/65/88/49/950658849.db2.gz BOOPHEGZCFAWLQ-JQWIXIFHSA-N 1 0 381.400 -0.508 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575923460 950658556 /nfs/dbraw/zinc/65/85/56/950658556.db2.gz BOOPHEGZCFAWLQ-PWSUYJOCSA-N 1 0 381.400 -0.508 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575923463 950660356 /nfs/dbraw/zinc/66/03/56/950660356.db2.gz BOOPHEGZCFAWLQ-ZYHUDNBSSA-N 1 0 381.400 -0.508 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575924820 950675665 /nfs/dbraw/zinc/67/56/65/950675665.db2.gz FNJHPQXQWFARIP-BXUZGUMPSA-N 1 0 384.444 -0.047 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575924826 950675027 /nfs/dbraw/zinc/67/50/27/950675027.db2.gz FNJHPQXQWFARIP-FZMZJTMJSA-N 1 0 384.444 -0.047 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575924827 950676132 /nfs/dbraw/zinc/67/61/32/950676132.db2.gz FNJHPQXQWFARIP-RISCZKNCSA-N 1 0 384.444 -0.047 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575924828 950676886 /nfs/dbraw/zinc/67/68/86/950676886.db2.gz FNJHPQXQWFARIP-SMDDNHRTSA-N 1 0 384.444 -0.047 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575925556 950688647 /nfs/dbraw/zinc/68/86/47/950688647.db2.gz HNCVZEWPRRSYSA-BXKDBHETSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575925560 950689460 /nfs/dbraw/zinc/68/94/60/950689460.db2.gz HNCVZEWPRRSYSA-CABZTGNLSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575925561 950687434 /nfs/dbraw/zinc/68/74/34/950687434.db2.gz HNCVZEWPRRSYSA-JOYOIKCWSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575925564 950688981 /nfs/dbraw/zinc/68/89/81/950688981.db2.gz HNCVZEWPRRSYSA-SKDRFNHKSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925631 950688953 /nfs/dbraw/zinc/68/89/53/950688953.db2.gz HVPGQJKJKLWCTO-CMPLNLGQSA-N 1 0 383.416 -0.564 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925634 950687087 /nfs/dbraw/zinc/68/70/87/950687087.db2.gz HVPGQJKJKLWCTO-JQWIXIFHSA-N 1 0 383.416 -0.564 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925638 950689936 /nfs/dbraw/zinc/68/99/36/950689936.db2.gz HVPGQJKJKLWCTO-PWSUYJOCSA-N 1 0 383.416 -0.564 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575925644 950689134 /nfs/dbraw/zinc/68/91/34/950689134.db2.gz HVPGQJKJKLWCTO-ZYHUDNBSSA-N 1 0 383.416 -0.564 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926478 950715681 /nfs/dbraw/zinc/71/56/81/950715681.db2.gz KKFRNDWWHDPBGS-GXTWGEPZSA-N 1 0 380.412 -0.053 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926479 950715318 /nfs/dbraw/zinc/71/53/18/950715318.db2.gz KKFRNDWWHDPBGS-JSGCOSHPSA-N 1 0 380.412 -0.053 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926480 950712858 /nfs/dbraw/zinc/71/28/58/950712858.db2.gz KKFRNDWWHDPBGS-OCCSQVGLSA-N 1 0 380.412 -0.053 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575926481 950713898 /nfs/dbraw/zinc/71/38/98/950713898.db2.gz KKFRNDWWHDPBGS-TZMCWYRMSA-N 1 0 380.412 -0.053 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCCNC1=O ZINC001575927494 950743132 /nfs/dbraw/zinc/74/31/32/950743132.db2.gz PURMDSCWZDVFKP-AAEUAGOBSA-N 1 0 385.432 -0.500 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCCNC1=O ZINC001575927495 950743581 /nfs/dbraw/zinc/74/35/81/950743581.db2.gz PURMDSCWZDVFKP-DGCLKSJQSA-N 1 0 385.432 -0.500 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCCNC1=O ZINC001575927496 950742982 /nfs/dbraw/zinc/74/29/82/950742982.db2.gz PURMDSCWZDVFKP-WCQYABFASA-N 1 0 385.432 -0.500 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN1CCCNC1=O ZINC001575927499 950742551 /nfs/dbraw/zinc/74/25/51/950742551.db2.gz PURMDSCWZDVFKP-YPMHNXCESA-N 1 0 385.432 -0.500 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575927717 950751164 /nfs/dbraw/zinc/75/11/64/950751164.db2.gz SWKBPYHYNBVCIA-CMPLNLGQSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575927718 950751256 /nfs/dbraw/zinc/75/12/56/950751256.db2.gz SWKBPYHYNBVCIA-JQWIXIFHSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575927719 950753095 /nfs/dbraw/zinc/75/30/95/950753095.db2.gz SWKBPYHYNBVCIA-PWSUYJOCSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575927720 950753812 /nfs/dbraw/zinc/75/38/12/950753812.db2.gz SWKBPYHYNBVCIA-ZYHUDNBSSA-N 1 0 379.446 -0.480 20 0 GBADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575927969 950769419 /nfs/dbraw/zinc/76/94/19/950769419.db2.gz WVIMGJCVBKYLFU-BXKDBHETSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575927970 950768211 /nfs/dbraw/zinc/76/82/11/950768211.db2.gz WVIMGJCVBKYLFU-CABZTGNLSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575927971 950768643 /nfs/dbraw/zinc/76/86/43/950768643.db2.gz WVIMGJCVBKYLFU-JOYOIKCWSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575927972 950768827 /nfs/dbraw/zinc/76/88/27/950768827.db2.gz WVIMGJCVBKYLFU-SKDRFNHKSA-N 1 0 381.400 -0.174 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576163325 949531986 /nfs/dbraw/zinc/53/19/86/949531986.db2.gz AHRRLVCUAAQNCL-AAEUAGOBSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576163327 949531683 /nfs/dbraw/zinc/53/16/83/949531683.db2.gz AHRRLVCUAAQNCL-DGCLKSJQSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576163328 949530724 /nfs/dbraw/zinc/53/07/24/949530724.db2.gz AHRRLVCUAAQNCL-WCQYABFASA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576163329 949531516 /nfs/dbraw/zinc/53/15/16/949531516.db2.gz AHRRLVCUAAQNCL-YPMHNXCESA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576163550 949533443 /nfs/dbraw/zinc/53/34/43/949533443.db2.gz BTSAVTAMGAKPKS-AAEUAGOBSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576163551 949534604 /nfs/dbraw/zinc/53/46/04/949534604.db2.gz BTSAVTAMGAKPKS-DGCLKSJQSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576163552 949535771 /nfs/dbraw/zinc/53/57/71/949535771.db2.gz BTSAVTAMGAKPKS-WCQYABFASA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576163553 949535109 /nfs/dbraw/zinc/53/51/09/949535109.db2.gz BTSAVTAMGAKPKS-YPMHNXCESA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576164253 949549107 /nfs/dbraw/zinc/54/91/07/949549107.db2.gz GAUWGOFCTLWURZ-AAEUAGOBSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576164254 949548000 /nfs/dbraw/zinc/54/80/00/949548000.db2.gz GAUWGOFCTLWURZ-DGCLKSJQSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576164255 949549703 /nfs/dbraw/zinc/54/97/03/949549703.db2.gz GAUWGOFCTLWURZ-WCQYABFASA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576164256 949549840 /nfs/dbraw/zinc/54/98/40/949549840.db2.gz GAUWGOFCTLWURZ-YPMHNXCESA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576164918 949559582 /nfs/dbraw/zinc/55/95/82/949559582.db2.gz ILAPGLMNPPXAQI-AAEUAGOBSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576164919 949560862 /nfs/dbraw/zinc/56/08/62/949560862.db2.gz ILAPGLMNPPXAQI-DGCLKSJQSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576164920 949558984 /nfs/dbraw/zinc/55/89/84/949558984.db2.gz ILAPGLMNPPXAQI-WCQYABFASA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576164921 949559259 /nfs/dbraw/zinc/55/92/59/949559259.db2.gz ILAPGLMNPPXAQI-YPMHNXCESA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167994 949623342 /nfs/dbraw/zinc/62/33/42/949623342.db2.gz RWMSVVOCFUOWDC-NEPJUHHUSA-N 1 0 390.448 -0.724 20 0 GBADRO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167996 949622037 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/nfs/dbraw/zinc/35/58/90/993355890.db2.gz KYNYSZPWEWDUDZ-INIZCTEOSA-N 1 0 397.520 -0.559 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)(N2CCOCC2)CC1 ZINC001598583917 993355937 /nfs/dbraw/zinc/35/59/37/993355937.db2.gz KYNYSZPWEWDUDZ-MRXNPFEDSA-N 1 0 397.520 -0.559 20 0 GBADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594448 993484298 /nfs/dbraw/zinc/48/42/98/993484298.db2.gz KXIZJWNZLULCNB-CABCVRRESA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594450 993483831 /nfs/dbraw/zinc/48/38/31/993483831.db2.gz KXIZJWNZLULCNB-GJZGRUSLSA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594452 993484139 /nfs/dbraw/zinc/48/41/39/993484139.db2.gz KXIZJWNZLULCNB-HUUCEWRRSA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C1 ZINC001598594455 993483844 /nfs/dbraw/zinc/48/38/44/993483844.db2.gz KXIZJWNZLULCNB-LSDHHAIUSA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@@H]([NH3+])C[C@]4(C(=O)[O-])C3)C2)C1 ZINC001598598090 993536081 /nfs/dbraw/zinc/53/60/81/993536081.db2.gz KRCHUYJVLBRGSU-FTUNRGFVSA-N 1 0 378.473 -0.419 20 0 GBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@@H]([NH3+])C[C@]4(C(=O)[O-])C3)C2)C1 ZINC001598598093 993535967 /nfs/dbraw/zinc/53/59/67/993535967.db2.gz KRCHUYJVLBRGSU-RAKLQZGLSA-N 1 0 378.473 -0.419 20 0 GBADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)C2)C1 ZINC001598598224 993537823 /nfs/dbraw/zinc/53/78/23/993537823.db2.gz MEYKLTGZVYDKCL-IBGZPJMESA-N 1 0 380.489 -0.062 20 0 GBADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)C2)C1 ZINC001598598227 993537652 /nfs/dbraw/zinc/53/76/52/993537652.db2.gz MEYKLTGZVYDKCL-LJQANCHMSA-N 1 0 380.489 -0.062 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC[C@@H]21 ZINC001598598499 993541060 /nfs/dbraw/zinc/54/10/60/993541060.db2.gz OOOBMJKRRILKEO-CABCVRRESA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC[C@@H]21 ZINC001598598500 993540741 /nfs/dbraw/zinc/54/07/41/993540741.db2.gz OOOBMJKRRILKEO-GJZGRUSLSA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC[C@H]21 ZINC001598598502 993541746 /nfs/dbraw/zinc/54/17/46/993541746.db2.gz OOOBMJKRRILKEO-HUUCEWRRSA-N 1 0 380.489 -0.064 20 0 GBADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC[C@H]21 ZINC001598598503 993542162 /nfs/dbraw/zinc/54/21/62/993542162.db2.gz OOOBMJKRRILKEO-LSDHHAIUSA-N 1 0 380.489 -0.064 20 0 GBADRO CN(c1cncc(C(=O)[O-])n1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001598604539 993622918 /nfs/dbraw/zinc/62/29/18/993622918.db2.gz NHQYUEOFIJVZIH-UHFFFAOYSA-N 1 0 376.461 -0.151 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001598606165 993662869 /nfs/dbraw/zinc/66/28/69/993662869.db2.gz HLVCTKBNCWLHLG-AWEZNQCLSA-N 1 0 383.493 -0.413 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001598606166 993662637 /nfs/dbraw/zinc/66/26/37/993662637.db2.gz HLVCTKBNCWLHLG-CQSZACIVSA-N 1 0 383.493 -0.413 20 0 GBADRO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[NH+](C)C[C@H](C(=O)[O-])C1)C2 ZINC001598608470 993718560 /nfs/dbraw/zinc/71/85/60/993718560.db2.gz YTPHGYCAUUPDRP-HNSVSWJLSA-N 1 0 395.504 -0.272 20 0 GBADRO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[NH+](C)C[C@@H](C(=O)[O-])C1)C2 ZINC001598608482 993720712 /nfs/dbraw/zinc/72/07/12/993720712.db2.gz YTPHGYCAUUPDRP-WZYMTQMTSA-N 1 0 395.504 -0.272 20 0 GBADRO C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001598614281 993849673 /nfs/dbraw/zinc/84/96/73/993849673.db2.gz NJUCLCGPHCBWQG-GXTWGEPZSA-N 1 0 382.486 -0.251 20 0 GBADRO C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001598614283 993850218 /nfs/dbraw/zinc/85/02/18/993850218.db2.gz NJUCLCGPHCBWQG-JSGCOSHPSA-N 1 0 382.486 -0.251 20 0 GBADRO C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001598614286 993850183 /nfs/dbraw/zinc/85/01/83/993850183.db2.gz NJUCLCGPHCBWQG-OCCSQVGLSA-N 1 0 382.486 -0.251 20 0 GBADRO C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC001598614288 993850200 /nfs/dbraw/zinc/85/02/00/993850200.db2.gz NJUCLCGPHCBWQG-TZMCWYRMSA-N 1 0 382.486 -0.251 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC001598617698 993921322 /nfs/dbraw/zinc/92/13/22/993921322.db2.gz CGTGOYNUPNBJFS-UHFFFAOYSA-N 1 0 390.550 -0.270 20 0 GBADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598662996 994628718 /nfs/dbraw/zinc/62/87/18/994628718.db2.gz RFOSXNRJHITDJJ-CYBMUJFWSA-N 1 0 377.445 -0.444 20 0 GBADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598662997 994628289 /nfs/dbraw/zinc/62/82/89/994628289.db2.gz RFOSXNRJHITDJJ-ZDUSSCGKSA-N 1 0 377.445 -0.444 20 0 GBADRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598724034 995508050 /nfs/dbraw/zinc/50/80/50/995508050.db2.gz HNDLNBWKLWKEKN-MOPGFXCFSA-N 1 0 378.425 -0.182 20 0 GBADRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598724036 995507658 /nfs/dbraw/zinc/50/76/58/995507658.db2.gz HNDLNBWKLWKEKN-OALUTQOASA-N 1 0 378.425 -0.182 20 0 GBADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598724037 995507289 /nfs/dbraw/zinc/50/72/89/995507289.db2.gz HNDLNBWKLWKEKN-RBUKOAKNSA-N 1 0 378.425 -0.182 20 0 GBADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598724039 995508109 /nfs/dbraw/zinc/50/81/09/995508109.db2.gz HNDLNBWKLWKEKN-RTBURBONSA-N 1 0 378.425 -0.182 20 0 GBADRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598906381 997271876 /nfs/dbraw/zinc/27/18/76/997271876.db2.gz NKIVOUNXJHPFFI-QBPKDAKJSA-N 1 0 378.425 -0.185 20 0 GBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001599243008 998080467 /nfs/dbraw/zinc/08/04/67/998080467.db2.gz DVIZDQDFPKKGOE-AWEZNQCLSA-N 1 0 384.477 -0.779 20 0 GBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001599243009 998080849 /nfs/dbraw/zinc/08/08/49/998080849.db2.gz DVIZDQDFPKKGOE-CQSZACIVSA-N 1 0 384.477 -0.779 20 0 GBADRO CO[C@@H]1C[NH+](Cc2c(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)cccc2C(=O)[O-])C[C@H]1O ZINC001599323319 997620102 /nfs/dbraw/zinc/62/01/02/997620102.db2.gz KPPCWHCLBZAFHE-BRSBDYLESA-N 1 0 380.441 -0.232 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@]1(C)C(=O)[O-] ZINC001599911225 984987505 /nfs/dbraw/zinc/98/75/05/984987505.db2.gz WAQCPTPNONXLMI-HRLGVUPISA-N 1 0 382.505 -0.247 20 0 GBADRO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[C@H]1C(=O)[O-] ZINC001599911316 984988390 /nfs/dbraw/zinc/98/83/90/984988390.db2.gz ZHBBADJCYWIWIQ-ZJIFWQFVSA-N 1 0 382.505 -0.247 20 0 GBADRO CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201511 972656475 /nfs/dbraw/zinc/65/64/75/972656475.db2.gz VMXRSOVUFHCTCC-GOSISDBHSA-N 1 0 384.477 -0.550 20 0 GBADRO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201512 972656642 /nfs/dbraw/zinc/65/66/42/972656642.db2.gz VMXRSOVUFHCTCC-SFHVURJKSA-N 1 0 384.477 -0.550 20 0 GBADRO O=C([O-])C[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001606237222 973510567 /nfs/dbraw/zinc/51/05/67/973510567.db2.gz ZJWCEAKHMIESOJ-INIZCTEOSA-N 1 0 396.488 -0.635 20 0 GBADRO O=C([O-])C[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001606237224 973510854 /nfs/dbraw/zinc/51/08/54/973510854.db2.gz ZJWCEAKHMIESOJ-MRXNPFEDSA-N 1 0 396.488 -0.635 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)NCCCC[NH+]2CCOCC2)n2ccccc12 ZINC001625808059 1072212981 /nfs/dbraw/zinc/21/29/81/1072212981.db2.gz ASCBCRGDYSLLQU-UHFFFAOYSA-N 1 0 381.458 -0.176 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001625874937 1072317349 /nfs/dbraw/zinc/31/73/49/1072317349.db2.gz YLBNPXIYEHTEQU-CABCVRRESA-N 1 0 388.509 -0.359 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCOCC1 ZINC001625874947 1072317526 /nfs/dbraw/zinc/31/75/26/1072317526.db2.gz YLBNPXIYEHTEQU-GJZGRUSLSA-N 1 0 388.509 -0.359 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001625874948 1072317108 /nfs/dbraw/zinc/31/71/08/1072317108.db2.gz YLBNPXIYEHTEQU-HUUCEWRRSA-N 1 0 388.509 -0.359 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCOCC1 ZINC001625874949 1072316914 /nfs/dbraw/zinc/31/69/14/1072316914.db2.gz YLBNPXIYEHTEQU-LSDHHAIUSA-N 1 0 388.509 -0.359 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001625945569 1073510958 /nfs/dbraw/zinc/51/09/58/1073510958.db2.gz XIQDVQCJBBYETR-ZDUSSCGKSA-N 1 0 393.444 -0.991 20 0 GBADRO COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001625965536 1073898300 /nfs/dbraw/zinc/89/83/00/1073898300.db2.gz XAMRJMLQJHDTPX-AAVRWANBSA-N 1 0 387.502 -0.199 20 0 GBADRO COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001625965537 1073898985 /nfs/dbraw/zinc/89/89/85/1073898985.db2.gz XAMRJMLQJHDTPX-REWJHTLYSA-N 1 0 387.502 -0.199 20 0 GBADRO COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001625965538 1073898450 /nfs/dbraw/zinc/89/84/50/1073898450.db2.gz XAMRJMLQJHDTPX-RFQIPJPRSA-N 1 0 387.502 -0.199 20 0 GBADRO COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001625965539 1073898710 /nfs/dbraw/zinc/89/87/10/1073898710.db2.gz XAMRJMLQJHDTPX-YIYPIFLZSA-N 1 0 387.502 -0.199 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(=O)[nH]c1=O ZINC001625969152 1073900174 /nfs/dbraw/zinc/90/01/74/1073900174.db2.gz WMCPLSCKOZVGKC-UHFFFAOYSA-N 1 0 393.444 -0.849 20 0 GBADRO NC(=O)c1ncn(C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)c1N ZINC001625970372 1073923792 /nfs/dbraw/zinc/92/37/92/1073923792.db2.gz ALQXOOCYOZPVET-UHFFFAOYSA-N 1 0 376.461 -0.162 20 0 GBADRO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001625972313 1073924873 /nfs/dbraw/zinc/92/48/73/1073924873.db2.gz HZSLYZBJKMRLGM-AWEZNQCLSA-N 1 0 378.433 -0.287 20 0 GBADRO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001625972314 1073925409 /nfs/dbraw/zinc/92/54/09/1073925409.db2.gz HZSLYZBJKMRLGM-CQSZACIVSA-N 1 0 378.433 -0.287 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)Cn3cnnn3)cc2)CC1 ZINC001628655315 1070790958 /nfs/dbraw/zinc/79/09/58/1070790958.db2.gz HBBRRLKPIYVPLR-CQSZACIVSA-N 1 0 386.460 -0.042 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001628728407 1070792360 /nfs/dbraw/zinc/79/23/60/1070792360.db2.gz DJKYPZFZHYOJQC-UHFFFAOYSA-N 1 0 390.492 -0.023 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001628730336 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ZINC001628814374 1070794447 /nfs/dbraw/zinc/79/44/47/1070794447.db2.gz XCSIUHOXZUSKDU-MRXNPFEDSA-N 1 0 387.488 -0.100 20 0 GBADRO O=C(CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)NCC[NH+]1CCCCCC1 ZINC001628830020 1070794414 /nfs/dbraw/zinc/79/44/14/1070794414.db2.gz OCMIMRFCCYUOAS-CVEARBPZSA-N 1 0 390.488 -0.475 20 0 GBADRO O=C(CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)NCC[NH+]1CCCCCC1 ZINC001628830021 1070794545 /nfs/dbraw/zinc/79/45/45/1070794545.db2.gz OCMIMRFCCYUOAS-HOTGVXAUSA-N 1 0 390.488 -0.475 20 0 GBADRO O=C(CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)NCC[NH+]1CCCCCC1 ZINC001628830022 1070794963 /nfs/dbraw/zinc/79/49/63/1070794963.db2.gz OCMIMRFCCYUOAS-HZPDHXFCSA-N 1 0 390.488 -0.475 20 0 GBADRO O=C(CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)NCC[NH+]1CCCCCC1 ZINC001628830023 1070794825 /nfs/dbraw/zinc/79/48/25/1070794825.db2.gz OCMIMRFCCYUOAS-JKSUJKDBSA-N 1 0 390.488 -0.475 20 0 GBADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)n1NC(N)=O ZINC001628861400 1070797346 /nfs/dbraw/zinc/79/73/46/1070797346.db2.gz 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-0.041 20 0 GBADRO O=C(OCc1ccccc1)N1CC(O)(C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC001628964063 1070798290 /nfs/dbraw/zinc/79/82/90/1070798290.db2.gz AKRLKKGVHLWZRD-INIZCTEOSA-N 1 0 377.441 -0.057 20 0 GBADRO O=C(OCc1ccccc1)N1CC(O)(C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC001628964064 1070798163 /nfs/dbraw/zinc/79/81/63/1070798163.db2.gz AKRLKKGVHLWZRD-MRXNPFEDSA-N 1 0 377.441 -0.057 20 0 GBADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001628964953 1070798074 /nfs/dbraw/zinc/79/80/74/1070798074.db2.gz WXRGVHMIMDHBIG-CYBMUJFWSA-N 1 0 387.458 -0.513 20 0 GBADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001628964954 1070798095 /nfs/dbraw/zinc/79/80/95/1070798095.db2.gz WXRGVHMIMDHBIG-ZDUSSCGKSA-N 1 0 387.458 -0.513 20 0 GBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001628965104 1070797872 /nfs/dbraw/zinc/79/78/72/1070797872.db2.gz ZYYJGNNTROYPQS-OBJOEFQTSA-N 1 0 391.515 -0.651 20 0 GBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001628965107 1070798521 /nfs/dbraw/zinc/79/85/21/1070798521.db2.gz ZYYJGNNTROYPQS-OUCADQQQSA-N 1 0 391.515 -0.651 20 0 GBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001628965109 1070798401 /nfs/dbraw/zinc/79/84/01/1070798401.db2.gz ZYYJGNNTROYPQS-SCRDCRAPSA-N 1 0 391.515 -0.651 20 0 GBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001628965111 1070797752 /nfs/dbraw/zinc/79/77/52/1070797752.db2.gz ZYYJGNNTROYPQS-SGMGOOAPSA-N 1 0 391.515 -0.651 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001628976006 1070798940 /nfs/dbraw/zinc/79/89/40/1070798940.db2.gz UVZSOYRDUOJEHO-CVEARBPZSA-N 1 0 393.463 -0.910 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001628976008 1070799681 /nfs/dbraw/zinc/79/96/81/1070799681.db2.gz UVZSOYRDUOJEHO-HOTGVXAUSA-N 1 0 393.463 -0.910 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001628976010 1070799170 /nfs/dbraw/zinc/79/91/70/1070799170.db2.gz UVZSOYRDUOJEHO-HZPDHXFCSA-N 1 0 393.463 -0.910 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001628976012 1070799502 /nfs/dbraw/zinc/79/95/02/1070799502.db2.gz UVZSOYRDUOJEHO-JKSUJKDBSA-N 1 0 393.463 -0.910 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001629003778 1070801020 /nfs/dbraw/zinc/80/10/20/1070801020.db2.gz XEIWKRPERLRLHF-UHFFFAOYSA-N 1 0 383.474 -0.075 20 0 GBADRO Cn1ccnc1[C@](O)(CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC001629008525 1070800237 /nfs/dbraw/zinc/80/02/37/1070800237.db2.gz FTPNQPIBLZFBEA-BXUZGUMPSA-N 1 0 379.383 -0.074 20 0 GBADRO Cn1ccnc1[C@@](O)(CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC001629008526 1070801190 /nfs/dbraw/zinc/80/11/90/1070801190.db2.gz FTPNQPIBLZFBEA-RISCZKNCSA-N 1 0 379.383 -0.074 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001629022061 1070801396 /nfs/dbraw/zinc/80/13/96/1070801396.db2.gz WADMOJIKLQQIRI-UHFFFAOYSA-N 1 0 380.497 -0.518 20 0 GBADRO Nc1nnn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC001629025048 1070801342 /nfs/dbraw/zinc/80/13/42/1070801342.db2.gz MCHLVSBYVAECQB-UHFFFAOYSA-N 1 0 378.481 -0.514 20 0 GBADRO CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)[C@H]1c1cccnc1 ZINC001629092246 1070802028 /nfs/dbraw/zinc/80/20/28/1070802028.db2.gz MQAOCRMXTFOXIV-MSOLQXFVSA-N 1 0 389.456 -0.788 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc3[nH]c(CO)nc32)CC1=O ZINC001629136785 1070803586 /nfs/dbraw/zinc/80/35/86/1070803586.db2.gz MDNGAGAZPJRWQP-CYBMUJFWSA-N 1 0 389.456 -0.036 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc3[nH]c(CO)nc32)CC1=O ZINC001629136786 1070805254 /nfs/dbraw/zinc/80/52/54/1070805254.db2.gz MDNGAGAZPJRWQP-ZDUSSCGKSA-N 1 0 389.456 -0.036 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H](O)CS(C)(=O)=O)ccn2)CC1 ZINC001629137576 1070804994 /nfs/dbraw/zinc/80/49/94/1070804994.db2.gz FTIPHZZIZSMKRP-AWEZNQCLSA-N 1 0 385.490 -0.962 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)ccn2)CC1 ZINC001629137577 1070803812 /nfs/dbraw/zinc/80/38/12/1070803812.db2.gz FTIPHZZIZSMKRP-CQSZACIVSA-N 1 0 385.490 -0.962 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C)n(NC(N)=O)c2C)CC1=O ZINC001629140683 1070804650 /nfs/dbraw/zinc/80/46/50/1070804650.db2.gz GOSSMRDIQUQBIZ-AWEZNQCLSA-N 1 0 394.476 -0.364 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C)n(NC(N)=O)c2C)CC1=O ZINC001629140684 1070804037 /nfs/dbraw/zinc/80/40/37/1070804037.db2.gz GOSSMRDIQUQBIZ-CQSZACIVSA-N 1 0 394.476 -0.364 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1=O ZINC001629141001 1070805134 /nfs/dbraw/zinc/80/51/34/1070805134.db2.gz NFNHNMGUPXKQIJ-GFCCVEGCSA-N 1 0 381.433 -0.966 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1=O ZINC001629141002 1070804245 /nfs/dbraw/zinc/80/42/45/1070804245.db2.gz NFNHNMGUPXKQIJ-LBPRGKRZSA-N 1 0 381.433 -0.966 20 0 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GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCC[N@H+]1CC[C@H](O)C1 ZINC001630614412 1070876350 /nfs/dbraw/zinc/87/63/50/1070876350.db2.gz KARAKOPNKVPAOV-ZDUSSCGKSA-N 1 0 390.893 -0.016 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001630690426 1070880636 /nfs/dbraw/zinc/88/06/36/1070880636.db2.gz YVLINVFGKQKEIR-BPLDGKMQSA-N 1 0 385.490 -0.445 20 0 GBADRO C[NH+](C)CCCN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)[C@H]1CCS(=O)(=O)C1 ZINC001630690428 1070881765 /nfs/dbraw/zinc/88/17/65/1070881765.db2.gz YVLINVFGKQKEIR-NWANDNLSSA-N 1 0 385.490 -0.445 20 0 GBADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001630708991 1070883273 /nfs/dbraw/zinc/88/32/73/1070883273.db2.gz KCZRNQNIGIWFHJ-UHFFFAOYSA-N 1 0 376.461 -0.168 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001630714213 1070882271 /nfs/dbraw/zinc/88/22/71/1070882271.db2.gz IMCIOHBZBPAPPS-CYBMUJFWSA-N 1 0 380.449 -0.772 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001630714214 1070882812 /nfs/dbraw/zinc/88/28/12/1070882812.db2.gz IMCIOHBZBPAPPS-ZDUSSCGKSA-N 1 0 380.449 -0.772 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC1C(=O)N=CNC1=O ZINC001630718560 1070882713 /nfs/dbraw/zinc/88/27/13/1070882713.db2.gz FAVHYZGJLPOPQY-HNNXBMFYSA-N 1 0 387.440 -0.164 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1=NN(CCO)C(=O)CC1 ZINC001630770268 1070886296 /nfs/dbraw/zinc/88/62/96/1070886296.db2.gz OUYYHEWZRNWGDG-DLBZAZTESA-N 1 0 388.468 -0.044 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1=NN(CCO)C(=O)CC1 ZINC001630770269 1070885805 /nfs/dbraw/zinc/88/58/05/1070885805.db2.gz OUYYHEWZRNWGDG-IAGOWNOFSA-N 1 0 388.468 -0.044 20 0 GBADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1=NN(CCO)C(=O)CC1 ZINC001630770270 1070885982 /nfs/dbraw/zinc/88/59/82/1070885982.db2.gz OUYYHEWZRNWGDG-IRXDYDNUSA-N 1 0 388.468 -0.044 20 0 GBADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1=NN(CCO)C(=O)CC1 ZINC001630770271 1070885357 /nfs/dbraw/zinc/88/53/57/1070885357.db2.gz OUYYHEWZRNWGDG-SJORKVTESA-N 1 0 388.468 -0.044 20 0 GBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001630777338 1070885259 /nfs/dbraw/zinc/88/52/59/1070885259.db2.gz NGNMNUFCBINPLL-TXEJJXNPSA-N 1 0 394.453 -0.015 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H](O)[C@H](C)O ZINC001630816027 1070887757 /nfs/dbraw/zinc/88/77/57/1070887757.db2.gz UHYIONGEELYHHE-BBRMVZONSA-N 1 0 387.502 -0.303 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H](O)[C@@H](C)O ZINC001630816028 1070888053 /nfs/dbraw/zinc/88/80/53/1070888053.db2.gz UHYIONGEELYHHE-CJNGLKHVSA-N 1 0 387.502 -0.303 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H](O)[C@@H](C)O ZINC001630816029 1070887947 /nfs/dbraw/zinc/88/79/47/1070887947.db2.gz UHYIONGEELYHHE-CZUORRHYSA-N 1 0 387.502 -0.303 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H](O)[C@H](C)O ZINC001630816030 1070888785 /nfs/dbraw/zinc/88/87/85/1070888785.db2.gz UHYIONGEELYHHE-XJKSGUPXSA-N 1 0 387.502 -0.303 20 0 GBADRO CC1(C)CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC001630825255 1070887970 /nfs/dbraw/zinc/88/79/70/1070887970.db2.gz LNLRFYVXXCAIIT-UHFFFAOYSA-N 1 0 389.499 -0.421 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001630841713 1070888759 /nfs/dbraw/zinc/88/87/59/1070888759.db2.gz SXCUXTFZRJAPPJ-UHFFFAOYSA-N 1 0 395.460 -0.557 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCS(=O)(=O)C1 ZINC001630845610 1070890507 /nfs/dbraw/zinc/89/05/07/1070890507.db2.gz CFVBPSKKRIFPGN-HZSPNIEDSA-N 1 0 375.491 -0.623 20 0 GBADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCS(=O)(=O)C1 ZINC001630845611 1070889343 /nfs/dbraw/zinc/88/93/43/1070889343.db2.gz CFVBPSKKRIFPGN-MELADBBJSA-N 1 0 375.491 -0.623 20 0 GBADRO COCC[N@H+](C)CCNC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001630865811 1070890024 /nfs/dbraw/zinc/89/00/24/1070890024.db2.gz JALYMGHNRIPPLI-UHFFFAOYSA-N 1 0 397.520 -0.290 20 0 GBADRO Cc1nn(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)c(=O)o1 ZINC001630873401 1070889475 /nfs/dbraw/zinc/88/94/75/1070889475.db2.gz GZLSMNKXJBMSDH-HOTGVXAUSA-N 1 0 385.424 -0.140 20 0 GBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001630918130 1070893145 /nfs/dbraw/zinc/89/31/45/1070893145.db2.gz HGZPGMXXWJOHLV-OAHLLOKOSA-N 1 0 393.492 -0.423 20 0 GBADRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC001630918538 1070892686 /nfs/dbraw/zinc/89/26/86/1070892686.db2.gz OILHLCSZMFNARM-DJIMGWMZSA-N 1 0 387.484 -0.906 20 0 GBADRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC001630918539 1070892643 /nfs/dbraw/zinc/89/26/43/1070892643.db2.gz OILHLCSZMFNARM-HYVNUMGLSA-N 1 0 387.484 -0.906 20 0 GBADRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC001630918540 1070893208 /nfs/dbraw/zinc/89/32/08/1070893208.db2.gz OILHLCSZMFNARM-OIISXLGYSA-N 1 0 387.484 -0.906 20 0 GBADRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC001630918541 1070893295 /nfs/dbraw/zinc/89/32/95/1070893295.db2.gz OILHLCSZMFNARM-PVAVHDDUSA-N 1 0 387.484 -0.906 20 0 GBADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001630939119 1070892533 /nfs/dbraw/zinc/89/25/33/1070892533.db2.gz LUYCRUWQCJIFFT-HNNXBMFYSA-N 1 0 394.447 -0.285 20 0 GBADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001630939120 1070892910 /nfs/dbraw/zinc/89/29/10/1070892910.db2.gz LUYCRUWQCJIFFT-OAHLLOKOSA-N 1 0 394.447 -0.285 20 0 GBADRO COc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC001630939802 1070892798 /nfs/dbraw/zinc/89/27/98/1070892798.db2.gz XMQJPAOTMAXXNQ-UHFFFAOYSA-N 1 0 377.488 -0.067 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(=O)[nH]c1=O ZINC001630942719 1070892186 /nfs/dbraw/zinc/89/21/86/1070892186.db2.gz OLZGIVOYOYNIFY-GJZGRUSLSA-N 1 0 397.435 -0.077 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1 ZINC001631056130 1070895967 /nfs/dbraw/zinc/89/59/67/1070895967.db2.gz OLZPWRVFUDUQEK-INIZCTEOSA-N 1 0 399.513 -0.006 20 0 GBADRO COCCCS(=O)(=O)NCC(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1 ZINC001631056132 1070895683 /nfs/dbraw/zinc/89/56/83/1070895683.db2.gz OLZPWRVFUDUQEK-MRXNPFEDSA-N 1 0 399.513 -0.006 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CC[NH2+][C@@H](Cc2cccc(OC)c2)C1 ZINC001631057772 1070895825 /nfs/dbraw/zinc/89/58/25/1070895825.db2.gz VAYRDWBPPLLECH-INIZCTEOSA-N 1 0 399.513 -0.006 20 0 GBADRO CCOCCS(=O)(=O)NCC(=O)N1CC[NH2+][C@H](Cc2cccc(OC)c2)C1 ZINC001631057773 1070895208 /nfs/dbraw/zinc/89/52/08/1070895208.db2.gz VAYRDWBPPLLECH-MRXNPFEDSA-N 1 0 399.513 -0.006 20 0 GBADRO COc1cccc(C[C@@H]2CN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)CC[NH2+]2)c1 ZINC001631059869 1070895629 /nfs/dbraw/zinc/89/56/29/1070895629.db2.gz KCBURJKUUXOOMV-DZGCQCFKSA-N 1 0 387.444 -0.771 20 0 GBADRO COc1cccc(C[C@H]2CN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)CC[NH2+]2)c1 ZINC001631059870 1070895416 /nfs/dbraw/zinc/89/54/16/1070895416.db2.gz KCBURJKUUXOOMV-ZFWWWQNUSA-N 1 0 387.444 -0.771 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001631067339 1070896375 /nfs/dbraw/zinc/89/63/75/1070896375.db2.gz LRORKKNZRFCBOM-UHFFFAOYSA-N 1 0 388.428 -0.919 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(O)(C(N)=O)CC2)c1 ZINC001631067791 1070895947 /nfs/dbraw/zinc/89/59/47/1070895947.db2.gz VTMMWDREHFSYGV-UHFFFAOYSA-N 1 0 391.472 -0.500 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2cn(C)c(=O)[nH]c2=O)CC1 ZINC001631131517 1070898514 /nfs/dbraw/zinc/89/85/14/1070898514.db2.gz UDWBGNYVERUUQO-UHFFFAOYSA-N 1 0 380.449 -0.772 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001631131702 1070898292 /nfs/dbraw/zinc/89/82/92/1070898292.db2.gz XQMZSOIIUBKDLO-UHFFFAOYSA-N 1 0 394.476 -0.419 20 0 GBADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001631195452 1070901368 /nfs/dbraw/zinc/90/13/68/1070901368.db2.gz UFUOLFVLCSQRKG-AWEZNQCLSA-N 1 0 383.474 -0.714 20 0 GBADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001631195453 1070900867 /nfs/dbraw/zinc/90/08/67/1070900867.db2.gz UFUOLFVLCSQRKG-CQSZACIVSA-N 1 0 383.474 -0.714 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001631209560 1070902066 /nfs/dbraw/zinc/90/20/66/1070902066.db2.gz WQJGCAJCFZLTHR-HNNXBMFYSA-N 1 0 375.539 -0.960 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001631209561 1070902602 /nfs/dbraw/zinc/90/26/02/1070902602.db2.gz WQJGCAJCFZLTHR-OAHLLOKOSA-N 1 0 375.539 -0.960 20 0 GBADRO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC001631209605 1070902189 /nfs/dbraw/zinc/90/21/89/1070902189.db2.gz XQLUPZYOZSGYED-INIZCTEOSA-N 1 0 390.550 -0.359 20 0 GBADRO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001631209606 1070901977 /nfs/dbraw/zinc/90/19/77/1070901977.db2.gz XQLUPZYOZSGYED-MRXNPFEDSA-N 1 0 390.550 -0.359 20 0 GBADRO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001631227419 1070903226 /nfs/dbraw/zinc/90/32/26/1070903226.db2.gz WXNUVDMJYGJMEO-KBPBESRZSA-N 1 0 378.433 -0.287 20 0 GBADRO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001631227420 1070903541 /nfs/dbraw/zinc/90/35/41/1070903541.db2.gz WXNUVDMJYGJMEO-KGLIPLIRSA-N 1 0 378.433 -0.287 20 0 GBADRO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001631227421 1070903563 /nfs/dbraw/zinc/90/35/63/1070903563.db2.gz WXNUVDMJYGJMEO-UONOGXRCSA-N 1 0 378.433 -0.287 20 0 GBADRO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001631227422 1070903529 /nfs/dbraw/zinc/90/35/29/1070903529.db2.gz WXNUVDMJYGJMEO-ZIAGYGMSSA-N 1 0 378.433 -0.287 20 0 GBADRO C[N@H+](CCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC001631235970 1070903389 /nfs/dbraw/zinc/90/33/89/1070903389.db2.gz CZPMNJWOFOBWDM-UHFFFAOYSA-N 1 0 389.499 -0.421 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001631238246 1070903706 /nfs/dbraw/zinc/90/37/06/1070903706.db2.gz RKMSZZDNBDFBAH-INIZCTEOSA-N 1 0 392.518 -0.048 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001631238248 1070903358 /nfs/dbraw/zinc/90/33/58/1070903358.db2.gz RKMSZZDNBDFBAH-MRXNPFEDSA-N 1 0 392.518 -0.048 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC001631238587 1070903147 /nfs/dbraw/zinc/90/31/47/1070903147.db2.gz WSBYBZAVJCNHEP-HNNXBMFYSA-N 1 0 375.447 -0.606 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001631238588 1070904828 /nfs/dbraw/zinc/90/48/28/1070904828.db2.gz WSBYBZAVJCNHEP-OAHLLOKOSA-N 1 0 375.447 -0.606 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001631243826 1070904599 /nfs/dbraw/zinc/90/45/99/1070904599.db2.gz PWCDOTSPWSINPK-BLLLJJGKSA-N 1 0 395.522 -0.257 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001631243827 1070904289 /nfs/dbraw/zinc/90/42/89/1070904289.db2.gz PWCDOTSPWSINPK-LRDDRELGSA-N 1 0 395.522 -0.257 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nnc2c1=O ZINC001631254182 1070904345 /nfs/dbraw/zinc/90/43/45/1070904345.db2.gz ATAKGBZEYJSGNT-CHWSQXEVSA-N 1 0 375.433 -0.867 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nnc2c1=O ZINC001631254183 1070904508 /nfs/dbraw/zinc/90/45/08/1070904508.db2.gz ATAKGBZEYJSGNT-OLZOCXBDSA-N 1 0 375.433 -0.867 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nnc2c1=O ZINC001631254184 1070904711 /nfs/dbraw/zinc/90/47/11/1070904711.db2.gz ATAKGBZEYJSGNT-QWHCGFSZSA-N 1 0 375.433 -0.867 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nnc2c1=O ZINC001631254185 1070904872 /nfs/dbraw/zinc/90/48/72/1070904872.db2.gz ATAKGBZEYJSGNT-STQMWFEESA-N 1 0 375.433 -0.867 20 0 GBADRO O=C(NCC[NH+]1CCC(O)CC1)NCCS(=O)(=O)N1CCSCC1 ZINC001631254356 1070904218 /nfs/dbraw/zinc/90/42/18/1070904218.db2.gz FCRUBFRUSXJPIY-UHFFFAOYSA-N 1 0 380.536 -0.879 20 0 GBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](O)c1ccncc1 ZINC001631256077 1070904555 /nfs/dbraw/zinc/90/45/55/1070904555.db2.gz CCIFYGHJWVXTSK-DJIMGWMZSA-N 1 0 392.456 -0.427 20 0 GBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](O)c1ccncc1 ZINC001631256078 1070904267 /nfs/dbraw/zinc/90/42/67/1070904267.db2.gz CCIFYGHJWVXTSK-OIISXLGYSA-N 1 0 392.456 -0.427 20 0 GBADRO CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](O)c1ccncc1 ZINC001631256079 1070904620 /nfs/dbraw/zinc/90/46/20/1070904620.db2.gz CCIFYGHJWVXTSK-UAGQMJEPSA-N 1 0 392.456 -0.427 20 0 GBADRO CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](O)c1ccncc1 ZINC001631256080 1070905024 /nfs/dbraw/zinc/90/50/24/1070905024.db2.gz CCIFYGHJWVXTSK-USXIJHARSA-N 1 0 392.456 -0.427 20 0 GBADRO COC(=O)C1(O)CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001631263950 1070905576 /nfs/dbraw/zinc/90/55/76/1070905576.db2.gz LRXCNVYMMWQFAB-UHFFFAOYSA-N 1 0 392.460 -0.692 20 0 GBADRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001631393229 1070908353 /nfs/dbraw/zinc/90/83/53/1070908353.db2.gz LFKHQOIGFWSPRX-AWEZNQCLSA-N 1 0 379.465 -0.719 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1 ZINC001631399783 1070908283 /nfs/dbraw/zinc/90/82/83/1070908283.db2.gz KJJGQUGWGBWBRI-UHFFFAOYSA-N 1 0 399.513 -0.172 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)NCCN3C(=O)CNC3=O)CC2)CC1 ZINC001631439552 1070909822 /nfs/dbraw/zinc/90/98/22/1070909822.db2.gz KOGAIMICPVYOCC-UHFFFAOYSA-N 1 0 380.493 -0.260 20 0 GBADRO O=C(NCCN1C(=O)CNC1=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001631439953 1070909659 /nfs/dbraw/zinc/90/96/59/1070909659.db2.gz YKDKEMJQPWKMPF-UHFFFAOYSA-N 1 0 389.456 -0.136 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CN1CCCC1=O 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/nfs/dbraw/zinc/91/07/35/1070910735.db2.gz UIFCLLLDNMWGSS-ULQDDVLXSA-N 1 0 381.521 -0.016 20 0 GBADRO CNC(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001631500285 1070910861 /nfs/dbraw/zinc/91/08/61/1070910861.db2.gz YNQZEZPBPCQLRA-INIZCTEOSA-N 1 0 382.509 -0.504 20 0 GBADRO CNC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001631500286 1070910901 /nfs/dbraw/zinc/91/09/01/1070910901.db2.gz YNQZEZPBPCQLRA-MRXNPFEDSA-N 1 0 382.509 -0.504 20 0 GBADRO COC(=O)[C@]1(NC(=O)CCNC(=O)CO)CCC[N@H+](Cc2ccccc2)C1 ZINC001631555826 1070913092 /nfs/dbraw/zinc/91/30/92/1070913092.db2.gz BNGRCRYHYVIASK-IBGZPJMESA-N 1 0 377.441 -0.191 20 0 GBADRO COC(=O)[C@@]1(NC(=O)CCNC(=O)CO)CCC[N@H+](Cc2ccccc2)C1 ZINC001631555827 1070913027 /nfs/dbraw/zinc/91/30/27/1070913027.db2.gz BNGRCRYHYVIASK-LJQANCHMSA-N 1 0 377.441 -0.191 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001631557958 1070913178 /nfs/dbraw/zinc/91/31/78/1070913178.db2.gz SFDLVDUDKXJLMQ-UHFFFAOYSA-N 1 0 390.469 -0.194 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(S(N)(=O)=O)c3ccccn32)n1 ZINC001631602009 1070914722 /nfs/dbraw/zinc/91/47/22/1070914722.db2.gz JIYAFBCFOQMNGI-UHFFFAOYSA-N 1 0 377.430 -0.008 20 0 GBADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)CC2 ZINC001631651275 1070915806 /nfs/dbraw/zinc/91/58/06/1070915806.db2.gz GOKRAGMWFVDAHS-UHFFFAOYSA-N 1 0 384.458 -0.256 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC4(CCC[N@@H+]4C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001631651300 1070915567 /nfs/dbraw/zinc/91/55/67/1070915567.db2.gz HJTIUQZLKWPWQR-BZUAXINKSA-N 1 0 375.473 -0.003 20 0 GBADRO C[N@@H+]1CCCC12CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)CC2 ZINC001631651970 1070916022 /nfs/dbraw/zinc/91/60/22/1070916022.db2.gz QBJYOCFQQVFRKL-UHFFFAOYSA-N 1 0 383.474 -0.521 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)nc2n(C)c1=O ZINC001631757201 1070917914 /nfs/dbraw/zinc/91/79/14/1070917914.db2.gz FJRQXQHHPDKKQM-NSHDSACASA-N 1 0 375.429 -0.793 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC001631757756 1070917703 /nfs/dbraw/zinc/91/77/03/1070917703.db2.gz REUYJLQKDSTYOE-LBPRGKRZSA-N 1 0 381.454 -0.208 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cnc2n(C)c1=O ZINC001631757902 1070917742 /nfs/dbraw/zinc/91/77/42/1070917742.db2.gz URCXLLJRHGTFAV-LBPRGKRZSA-N 1 0 375.429 -0.793 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 ZINC001631758134 1070917775 /nfs/dbraw/zinc/91/77/75/1070917775.db2.gz ZUJWMTICYJGCDL-HOTGVXAUSA-N 1 0 381.448 -0.193 20 0 GBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC001631761973 1070917469 /nfs/dbraw/zinc/91/74/69/1070917469.db2.gz SRLXKKPYERXTHQ-HIFRSBDPSA-N 1 0 399.513 -0.079 20 0 GBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC001631761974 1070918086 /nfs/dbraw/zinc/91/80/86/1070918086.db2.gz SRLXKKPYERXTHQ-ZFWWWQNUSA-N 1 0 399.513 -0.079 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001631816759 1070920242 /nfs/dbraw/zinc/92/02/42/1070920242.db2.gz HYSFWFVABFGMRF-UHFFFAOYSA-N 1 0 379.461 -0.349 20 0 GBADRO CC(=O)NCC(=O)N1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001631829013 1070920218 /nfs/dbraw/zinc/92/02/18/1070920218.db2.gz MJLXHABKLMZYDG-UHFFFAOYSA-N 1 0 396.536 -0.606 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CC1 ZINC001631829051 1070920266 /nfs/dbraw/zinc/92/02/66/1070920266.db2.gz NHXSENFWGYZRDA-HNNXBMFYSA-N 1 0 376.523 -0.795 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N2CCS(=O)(=O)C[C@H]2CCO)CC1 ZINC001631829052 1070920150 /nfs/dbraw/zinc/92/01/50/1070920150.db2.gz NHXSENFWGYZRDA-OAHLLOKOSA-N 1 0 376.523 -0.795 20 0 GBADRO CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001631838335 1070921404 /nfs/dbraw/zinc/92/14/04/1070921404.db2.gz JCVVGSHAOMDJOA-KBPBESRZSA-N 1 0 386.493 -0.034 20 0 GBADRO CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001631838336 1070921466 /nfs/dbraw/zinc/92/14/66/1070921466.db2.gz JCVVGSHAOMDJOA-KGLIPLIRSA-N 1 0 386.493 -0.034 20 0 GBADRO CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001631838338 1070921035 /nfs/dbraw/zinc/92/10/35/1070921035.db2.gz JCVVGSHAOMDJOA-UONOGXRCSA-N 1 0 386.493 -0.034 20 0 GBADRO CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001631838339 1070920888 /nfs/dbraw/zinc/92/08/88/1070920888.db2.gz JCVVGSHAOMDJOA-ZIAGYGMSSA-N 1 0 386.493 -0.034 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CN2CCCC3(CC3)S2(=O)=O)C1 ZINC001631838383 1070920935 /nfs/dbraw/zinc/92/09/35/1070920935.db2.gz JRKSOQNRAULVHQ-AWEZNQCLSA-N 1 0 386.518 -0.352 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CN2CCCC3(CC3)S2(=O)=O)C1 ZINC001631838385 1070920861 /nfs/dbraw/zinc/92/08/61/1070920861.db2.gz JRKSOQNRAULVHQ-CQSZACIVSA-N 1 0 386.518 -0.352 20 0 GBADRO CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(=O)[nH]c1=O ZINC001631850540 1070922509 /nfs/dbraw/zinc/92/25/09/1070922509.db2.gz MQLXZFYICAKYCV-AWEZNQCLSA-N 1 0 378.477 -0.064 20 0 GBADRO CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(=O)[nH]c1=O ZINC001631850541 1070922652 /nfs/dbraw/zinc/92/26/52/1070922652.db2.gz MQLXZFYICAKYCV-CQSZACIVSA-N 1 0 378.477 -0.064 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001631851115 1070922349 /nfs/dbraw/zinc/92/23/49/1070922349.db2.gz DCGCPUAOZRBZEY-UHFFFAOYSA-N 1 0 383.474 -0.027 20 0 GBADRO CS(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001631894948 1070923900 /nfs/dbraw/zinc/92/39/00/1070923900.db2.gz GMAHGNSCJLMYGW-HNNXBMFYSA-N 1 0 386.518 -0.401 20 0 GBADRO CS(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001631894949 1070923823 /nfs/dbraw/zinc/92/38/23/1070923823.db2.gz GMAHGNSCJLMYGW-OAHLLOKOSA-N 1 0 386.518 -0.401 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001631895154 1070923769 /nfs/dbraw/zinc/92/37/69/1070923769.db2.gz KABBCPZNGHBJES-GBRVTDDUSA-N 1 0 391.472 -0.305 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001631895155 1070923655 /nfs/dbraw/zinc/92/36/55/1070923655.db2.gz KABBCPZNGHBJES-MMSRSVNZSA-N 1 0 391.472 -0.305 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 ZINC001631895236 1070923355 /nfs/dbraw/zinc/92/33/55/1070923355.db2.gz MNCPNHDKZMMZDW-INIZCTEOSA-N 1 0 380.489 -0.309 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 ZINC001631895237 1070924031 /nfs/dbraw/zinc/92/40/31/1070924031.db2.gz MNCPNHDKZMMZDW-MRXNPFEDSA-N 1 0 380.489 -0.309 20 0 GBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001631895571 1070923255 /nfs/dbraw/zinc/92/32/55/1070923255.db2.gz XJRQXLJTNFFMGJ-CYBMUJFWSA-N 1 0 381.458 -0.717 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001631895572 1070923930 /nfs/dbraw/zinc/92/39/30/1070923930.db2.gz XJRQXLJTNFFMGJ-ZDUSSCGKSA-N 1 0 381.458 -0.717 20 0 GBADRO 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1070988885 /nfs/dbraw/zinc/98/88/85/1070988885.db2.gz IBROMGFIIAOZNB-OAHLLOKOSA-N 1 0 388.534 -0.341 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 ZINC001633774702 1070991067 /nfs/dbraw/zinc/99/10/67/1070991067.db2.gz AGNQLNGKUWFBQC-HNNXBMFYSA-N 1 0 387.506 -0.337 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 ZINC001633774711 1070991031 /nfs/dbraw/zinc/99/10/31/1070991031.db2.gz AGNQLNGKUWFBQC-OAHLLOKOSA-N 1 0 387.506 -0.337 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001633809195 1070992015 /nfs/dbraw/zinc/99/20/15/1070992015.db2.gz CZZMTDCBTFWPPH-HNNXBMFYSA-N 1 0 394.476 -0.139 20 0 GBADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001633809196 1070992343 /nfs/dbraw/zinc/99/23/43/1070992343.db2.gz CZZMTDCBTFWPPH-OAHLLOKOSA-N 1 0 394.476 -0.139 20 0 GBADRO C[NH+](C)CCOc1cc(CNC(=O)NCc2nnc3n2CCNC3=O)ccn1 ZINC001633810481 1070992236 /nfs/dbraw/zinc/99/22/36/1070992236.db2.gz UKNTYPZSWCSEPT-UHFFFAOYSA-N 1 0 388.432 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ZINC001633894000 1070993922 /nfs/dbraw/zinc/99/39/22/1070993922.db2.gz MCMHZHFBQAHKSY-UHFFFAOYSA-N 1 0 379.446 -0.094 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)cn1 ZINC001633894001 1070993698 /nfs/dbraw/zinc/99/36/98/1070993698.db2.gz MEIFZIWQRDCDTH-HNNXBMFYSA-N 1 0 375.433 -0.163 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc3n(n2)CCC[C@H]3O)cn1 ZINC001633894002 1070994144 /nfs/dbraw/zinc/99/41/44/1070994144.db2.gz MEIFZIWQRDCDTH-OAHLLOKOSA-N 1 0 375.433 -0.163 20 0 GBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CCCCC(=O)C2=O)cn1 ZINC001633894394 1070993910 /nfs/dbraw/zinc/99/39/10/1070993910.db2.gz SPYAEEJYJJMXFR-UHFFFAOYSA-N 1 0 378.433 -0.919 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001633937149 1070994852 /nfs/dbraw/zinc/99/48/52/1070994852.db2.gz UEPMKQBEECAVEL-HNNXBMFYSA-N 1 0 376.523 -0.196 20 0 GBADRO CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001633937150 1070994802 /nfs/dbraw/zinc/99/48/02/1070994802.db2.gz UEPMKQBEECAVEL-OAHLLOKOSA-N 1 0 376.523 -0.196 20 0 GBADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)ccn2)CC1 ZINC001633988016 1070997331 /nfs/dbraw/zinc/99/73/31/1070997331.db2.gz ZOJAWPBOLOSXFC-AWEZNQCLSA-N 1 0 381.502 -0.155 20 0 GBADRO C[NH+]1CCN(c2cc(C(=O)N3CC[C@H](CNS(C)(=O)=O)C3)ccn2)CC1 ZINC001633988017 1070997894 /nfs/dbraw/zinc/99/78/94/1070997894.db2.gz ZOJAWPBOLOSXFC-CQSZACIVSA-N 1 0 381.502 -0.155 20 0 GBADRO C[NH+](C)CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cn1 ZINC001634025981 1070997861 /nfs/dbraw/zinc/99/78/61/1070997861.db2.gz HEZPVJXVSJBKPX-UHFFFAOYSA-N 1 0 381.462 -0.686 20 0 GBADRO CCOCCn1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)cn1 ZINC001634040233 1070998701 /nfs/dbraw/zinc/99/87/01/1070998701.db2.gz QPUKDEXPXYVDII-UHFFFAOYSA-N 1 0 381.477 -0.218 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001634055258 1070998642 /nfs/dbraw/zinc/99/86/42/1070998642.db2.gz GICSQQOTKMDXBJ-CKEIUWERSA-N 1 0 398.529 -0.290 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001634055259 1070998583 /nfs/dbraw/zinc/99/85/83/1070998583.db2.gz GICSQQOTKMDXBJ-CPUCHLNUSA-N 1 0 398.529 -0.290 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001634055261 1070998768 /nfs/dbraw/zinc/99/87/68/1070998768.db2.gz GICSQQOTKMDXBJ-JKIFEVAISA-N 1 0 398.529 -0.290 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001634055263 1070998728 /nfs/dbraw/zinc/99/87/28/1070998728.db2.gz GICSQQOTKMDXBJ-KEYYUXOJSA-N 1 0 398.529 -0.290 20 0 GBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC001634089808 1070999943 /nfs/dbraw/zinc/99/99/43/1070999943.db2.gz AGGHUAJBJYZRSR-UHFFFAOYSA-N 1 0 384.502 -0.041 20 0 GBADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C12CCC2 ZINC001634105714 1071000585 /nfs/dbraw/zinc/00/05/85/1071000585.db2.gz OKGDQANMCGLEHZ-CHWSQXEVSA-N 1 0 383.474 -0.619 20 0 GBADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C12CCC2 ZINC001634105715 1071000936 /nfs/dbraw/zinc/00/09/36/1071000936.db2.gz OKGDQANMCGLEHZ-OLZOCXBDSA-N 1 0 383.474 -0.619 20 0 GBADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C12CCC2 ZINC001634105716 1071000434 /nfs/dbraw/zinc/00/04/34/1071000434.db2.gz OKGDQANMCGLEHZ-QWHCGFSZSA-N 1 0 383.474 -0.619 20 0 GBADRO C[NH+](C)[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C12CCC2 ZINC001634105717 1071000855 /nfs/dbraw/zinc/00/08/55/1071000855.db2.gz OKGDQANMCGLEHZ-STQMWFEESA-N 1 0 383.474 -0.619 20 0 GBADRO CN(CC[N@H+](C)CCO)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001634112141 1071001492 /nfs/dbraw/zinc/00/14/92/1071001492.db2.gz WXSZLOSGFMPBQC-AWEZNQCLSA-N 1 0 384.864 -0.304 20 0 GBADRO CN(CC[N@H+](C)CCO)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001634112142 1071002155 /nfs/dbraw/zinc/00/21/55/1071002155.db2.gz WXSZLOSGFMPBQC-CQSZACIVSA-N 1 0 384.864 -0.304 20 0 GBADRO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC001634139301 1071002733 /nfs/dbraw/zinc/00/27/33/1071002733.db2.gz GLGOYWSUXXFBBT-AWEZNQCLSA-N 1 0 378.477 -0.404 20 0 GBADRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC001634139302 1071003153 /nfs/dbraw/zinc/00/31/53/1071003153.db2.gz GLGOYWSUXXFBBT-CQSZACIVSA-N 1 0 378.477 -0.404 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001634139634 1071002770 /nfs/dbraw/zinc/00/27/70/1071002770.db2.gz RZTMANHGESCFLX-KBPBESRZSA-N 1 0 378.477 -0.404 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001634139635 1071003439 /nfs/dbraw/zinc/00/34/39/1071003439.db2.gz RZTMANHGESCFLX-KGLIPLIRSA-N 1 0 378.477 -0.404 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001634139636 1071003416 /nfs/dbraw/zinc/00/34/16/1071003416.db2.gz RZTMANHGESCFLX-UONOGXRCSA-N 1 0 378.477 -0.404 20 0 GBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001634139637 1071002866 /nfs/dbraw/zinc/00/28/66/1071002866.db2.gz RZTMANHGESCFLX-ZIAGYGMSSA-N 1 0 378.477 -0.404 20 0 GBADRO O=C(NCc1nnc2n1CCNC2=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001634174260 1071004275 /nfs/dbraw/zinc/00/42/75/1071004275.db2.gz BJIGZUFQFXEWRM-HNNXBMFYSA-N 1 0 399.455 -0.413 20 0 GBADRO O=C(NCc1nnc2n1CCNC2=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001634174261 1071005735 /nfs/dbraw/zinc/00/57/35/1071005735.db2.gz BJIGZUFQFXEWRM-OAHLLOKOSA-N 1 0 399.455 -0.413 20 0 GBADRO C[C@@H]1CN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC[N@@H+]1CC(C)(C)O ZINC001634205807 1071007496 /nfs/dbraw/zinc/00/74/96/1071007496.db2.gz YAAZHRBDOGHGQM-GFCCVEGCSA-N 1 0 395.485 -0.101 20 0 GBADRO C[C@H]1CN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC[N@@H+]1CC(C)(C)O ZINC001634205808 1071006144 /nfs/dbraw/zinc/00/61/44/1071006144.db2.gz YAAZHRBDOGHGQM-LBPRGKRZSA-N 1 0 395.485 -0.101 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001634213609 1071006837 /nfs/dbraw/zinc/00/68/37/1071006837.db2.gz INDTUWUACDAFID-KBPBESRZSA-N 1 0 377.511 -0.941 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001634213610 1071006989 /nfs/dbraw/zinc/00/69/89/1071006989.db2.gz INDTUWUACDAFID-KGLIPLIRSA-N 1 0 377.511 -0.941 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001634213611 1071006719 /nfs/dbraw/zinc/00/67/19/1071006719.db2.gz INDTUWUACDAFID-UONOGXRCSA-N 1 0 377.511 -0.941 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001634213612 1071007101 /nfs/dbraw/zinc/00/71/01/1071007101.db2.gz INDTUWUACDAFID-ZIAGYGMSSA-N 1 0 377.511 -0.941 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001634214543 1071006697 /nfs/dbraw/zinc/00/66/97/1071006697.db2.gz TYTLEHXSFAOIOS-UHFFFAOYSA-N 1 0 391.538 -0.239 20 0 GBADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 ZINC001634228944 1071007813 /nfs/dbraw/zinc/00/78/13/1071007813.db2.gz ABCRDNGCJJDFMM-HNNXBMFYSA-N 1 0 393.488 -0.234 20 0 GBADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCO1 ZINC001634244132 1071008251 /nfs/dbraw/zinc/00/82/51/1071008251.db2.gz RANBSCVTMGKYDC-GFCCVEGCSA-N 1 0 388.494 -0.351 20 0 GBADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCO1 ZINC001634244133 1071008447 /nfs/dbraw/zinc/00/84/47/1071008447.db2.gz RANBSCVTMGKYDC-LBPRGKRZSA-N 1 0 388.494 -0.351 20 0 GBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001634307089 1071010687 /nfs/dbraw/zinc/01/06/87/1071010687.db2.gz UBWJNITVFFYJLM-DOMZBBRYSA-N 1 0 375.408 -0.640 20 0 GBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001634307091 1071011239 /nfs/dbraw/zinc/01/12/39/1071011239.db2.gz UBWJNITVFFYJLM-IUODEOHRSA-N 1 0 375.408 -0.640 20 0 GBADRO O=C(CN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001634308658 1071011389 /nfs/dbraw/zinc/01/13/89/1071011389.db2.gz ZCHJIVJWGIJDKN-HNNXBMFYSA-N 1 0 398.529 -0.938 20 0 GBADRO O=C(CN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001634308659 1071011480 /nfs/dbraw/zinc/01/14/80/1071011480.db2.gz ZCHJIVJWGIJDKN-OAHLLOKOSA-N 1 0 398.529 -0.938 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001634384476 1071013739 /nfs/dbraw/zinc/01/37/39/1071013739.db2.gz DCJLMFZOYXZCRB-ZDUSSCGKSA-N 1 0 384.477 -0.049 20 0 GBADRO C[NH+]1CCN(C2CN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)CC1 ZINC001634385242 1071013005 /nfs/dbraw/zinc/01/30/05/1071013005.db2.gz UWSKRRLQPSCGJH-UHFFFAOYSA-N 1 0 380.470 -0.983 20 0 GBADRO C[NH+]1CCN(C2CN(C(=O)c3nc(S(N)(=O)=O)c4ccccn43)C2)CC1 ZINC001634385348 1071013044 /nfs/dbraw/zinc/01/30/44/1071013044.db2.gz YWTRSAJIFICYME-UHFFFAOYSA-N 1 0 378.458 -0.947 20 0 GBADRO C[NH+](C)CCOCCNC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001634402433 1071014292 /nfs/dbraw/zinc/01/42/92/1071014292.db2.gz UIZCPZFLIMTNHB-UHFFFAOYSA-N 1 0 397.520 -0.290 20 0 GBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cn1 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FIJUNXILCASOFV-AWEZNQCLSA-N 1 0 396.469 -0.487 20 0 GBADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001635934856 1071060388 /nfs/dbraw/zinc/06/03/88/1071060388.db2.gz FIJUNXILCASOFV-CQSZACIVSA-N 1 0 396.469 -0.487 20 0 GBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC001635940356 1071060069 /nfs/dbraw/zinc/06/00/69/1071060069.db2.gz ATAVOYPNZHWWIG-AWEZNQCLSA-N 1 0 395.481 -0.249 20 0 GBADRO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001635940359 1071060467 /nfs/dbraw/zinc/06/04/67/1071060467.db2.gz ATAVOYPNZHWWIG-CQSZACIVSA-N 1 0 395.481 -0.249 20 0 GBADRO COCCn1cc(N2C[C@@H](C(=O)N3CC([NH2+][C@H]4CCOC4)C3)CC2=O)cn1 ZINC001635940855 1071060370 /nfs/dbraw/zinc/06/03/70/1071060370.db2.gz HNTZLKJEAKDUKP-KBPBESRZSA-N 1 0 377.445 -0.528 20 0 GBADRO COCCn1cc(N2C[C@H](C(=O)N3CC([NH2+][C@H]4CCOC4)C3)CC2=O)cn1 ZINC001635940856 1071060724 /nfs/dbraw/zinc/06/07/24/1071060724.db2.gz HNTZLKJEAKDUKP-KGLIPLIRSA-N 1 0 377.445 -0.528 20 0 GBADRO COCCn1cc(N2C[C@@H](C(=O)N3CC([NH2+][C@@H]4CCOC4)C3)CC2=O)cn1 ZINC001635940857 1071060773 /nfs/dbraw/zinc/06/07/73/1071060773.db2.gz HNTZLKJEAKDUKP-UONOGXRCSA-N 1 0 377.445 -0.528 20 0 GBADRO COCCn1cc(N2C[C@H](C(=O)N3CC([NH2+][C@@H]4CCOC4)C3)CC2=O)cn1 ZINC001635940858 1071060303 /nfs/dbraw/zinc/06/03/03/1071060303.db2.gz HNTZLKJEAKDUKP-ZIAGYGMSSA-N 1 0 377.445 -0.528 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635941210 1071060408 /nfs/dbraw/zinc/06/04/08/1071060408.db2.gz KGVHPQXZVFTTBU-AAEUAGOBSA-N 1 0 396.469 -0.958 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635941211 1071060744 /nfs/dbraw/zinc/06/07/44/1071060744.db2.gz KGVHPQXZVFTTBU-DGCLKSJQSA-N 1 0 396.469 -0.958 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635941212 1071060541 /nfs/dbraw/zinc/06/05/41/1071060541.db2.gz KGVHPQXZVFTTBU-WCQYABFASA-N 1 0 396.469 -0.958 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635941213 1071060668 /nfs/dbraw/zinc/06/06/68/1071060668.db2.gz KGVHPQXZVFTTBU-YPMHNXCESA-N 1 0 396.469 -0.958 20 0 GBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC([NH2+][C@H]4CCOC4)C3)ccc21 ZINC001635942055 1071060103 /nfs/dbraw/zinc/06/01/03/1071060103.db2.gz PUAIVAORXINXLH-INIZCTEOSA-N 1 0 386.452 -0.085 20 0 GBADRO CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC([NH2+][C@@H]4CCOC4)C3)ccc21 ZINC001635942057 1071060576 /nfs/dbraw/zinc/06/05/76/1071060576.db2.gz PUAIVAORXINXLH-MRXNPFEDSA-N 1 0 386.452 -0.085 20 0 GBADRO NS(=O)(=O)CCOCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001635975770 1071061245 /nfs/dbraw/zinc/06/12/45/1071061245.db2.gz NSRLGDLMXDSLTA-AWEZNQCLSA-N 1 0 378.495 -0.766 20 0 GBADRO NS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001635975771 1071063146 /nfs/dbraw/zinc/06/31/46/1071063146.db2.gz NSRLGDLMXDSLTA-CQSZACIVSA-N 1 0 378.495 -0.766 20 0 GBADRO COC[C@@]1(C(=O)N[C@@H](CO)C[NH+](C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989806 1071063201 /nfs/dbraw/zinc/06/32/01/1071063201.db2.gz PNHVJNYUKPRJAJ-CXAGYDPISA-N 1 0 375.466 -0.322 20 0 GBADRO COC[C@]1(C(=O)N[C@@H](CO)C[NH+](C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989807 1071062802 /nfs/dbraw/zinc/06/28/02/1071062802.db2.gz PNHVJNYUKPRJAJ-DYVFJYSZSA-N 1 0 375.466 -0.322 20 0 GBADRO COC[C@]1(C(=O)N[C@H](CO)C[NH+](C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989808 1071062960 /nfs/dbraw/zinc/06/29/60/1071062960.db2.gz PNHVJNYUKPRJAJ-GUYCJALGSA-N 1 0 375.466 -0.322 20 0 GBADRO COC[C@@]1(C(=O)N[C@H](CO)C[NH+](C)C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001635989809 1071063106 /nfs/dbraw/zinc/06/31/06/1071063106.db2.gz PNHVJNYUKPRJAJ-SUMWQHHRSA-N 1 0 375.466 -0.322 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001636007765 1071062725 /nfs/dbraw/zinc/06/27/25/1071062725.db2.gz SHLFXFZJWPJYEG-UHFFFAOYSA-N 1 0 375.429 -0.001 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC001636010106 1071063558 /nfs/dbraw/zinc/06/35/58/1071063558.db2.gz AALUHPRDBGXCGI-UHFFFAOYSA-N 1 0 384.502 -0.101 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001636010431 1071063620 /nfs/dbraw/zinc/06/36/20/1071063620.db2.gz HOKFFZKBAQWJDT-UHFFFAOYSA-N 1 0 385.490 -0.518 20 0 GBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC001636053818 1071064608 /nfs/dbraw/zinc/06/46/08/1071064608.db2.gz GTTYUTHIRSGBQI-CYBMUJFWSA-N 1 0 375.433 -0.526 20 0 GBADRO C[N@H+](CCCO)C1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001636090003 1071065712 /nfs/dbraw/zinc/06/57/12/1071065712.db2.gz OETKGQLYPPIASD-UHFFFAOYSA-N 1 0 381.481 -0.355 20 0 GBADRO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001636107954 1071066380 /nfs/dbraw/zinc/06/63/80/1071066380.db2.gz OXVYXEVEURPEMF-FGWVZKOKSA-N 1 0 379.417 -0.290 20 0 GBADRO CC[C@H](O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC001636112604 1071066797 /nfs/dbraw/zinc/06/67/97/1071066797.db2.gz HNKRVEMPCCDMMX-DKUMPPAJSA-N 1 0 378.477 -0.138 20 0 GBADRO CC[C@@H](O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC001636112705 1071067121 /nfs/dbraw/zinc/06/71/21/1071067121.db2.gz HNKRVEMPCCDMMX-JALIKCBVSA-N 1 0 378.477 -0.138 20 0 GBADRO Cc1cn2nnc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2c(=O)[nH]1 ZINC001636113748 1071066491 /nfs/dbraw/zinc/06/64/91/1071066491.db2.gz ZETWEHRLQCBDAS-YHWZYXNKSA-N 1 0 387.444 -0.048 20 0 GBADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001636129388 1071067756 /nfs/dbraw/zinc/06/77/56/1071067756.db2.gz JOVRNAFJXIIXRY-UHFFFAOYSA-N 1 0 393.444 -0.991 20 0 GBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccsc3S(N)(=O)=O)CC2)C1=O ZINC001636131040 1071067584 /nfs/dbraw/zinc/06/75/84/1071067584.db2.gz JEGAVUPLLDNXQF-GFCCVEGCSA-N 1 0 386.499 -0.180 20 0 GBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccsc3S(N)(=O)=O)CC2)C1=O ZINC001636131045 1071067987 /nfs/dbraw/zinc/06/79/87/1071067987.db2.gz JEGAVUPLLDNXQF-LBPRGKRZSA-N 1 0 386.499 -0.180 20 0 GBADRO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001636134619 1071067958 /nfs/dbraw/zinc/06/79/58/1071067958.db2.gz HVKLTFRFUCVJPX-BBRMVZONSA-N 1 0 394.447 -0.238 20 0 GBADRO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001636134620 1071068248 /nfs/dbraw/zinc/06/82/48/1071068248.db2.gz HVKLTFRFUCVJPX-CJNGLKHVSA-N 1 0 394.447 -0.238 20 0 GBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001636134621 1071068086 /nfs/dbraw/zinc/06/80/86/1071068086.db2.gz HVKLTFRFUCVJPX-CZUORRHYSA-N 1 0 394.447 -0.238 20 0 GBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001636134622 1071068392 /nfs/dbraw/zinc/06/83/92/1071068392.db2.gz HVKLTFRFUCVJPX-XJKSGUPXSA-N 1 0 394.447 -0.238 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC001636139620 1071068037 /nfs/dbraw/zinc/06/80/37/1071068037.db2.gz IABJFZLOTLOMHR-GDBMZVCRSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC001636139621 1071068315 /nfs/dbraw/zinc/06/83/15/1071068315.db2.gz IABJFZLOTLOMHR-GOEBONIOSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC001636139623 1071067886 /nfs/dbraw/zinc/06/78/86/1071067886.db2.gz IABJFZLOTLOMHR-HOCLYGCPSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC001636139624 1071067643 /nfs/dbraw/zinc/06/76/43/1071067643.db2.gz IABJFZLOTLOMHR-ZBFHGGJFSA-N 1 0 399.513 -0.078 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)CC1 ZINC001636148185 1071069512 /nfs/dbraw/zinc/06/95/12/1071069512.db2.gz DPIZSARCEIAPHB-AWEZNQCLSA-N 1 0 378.477 -0.792 20 0 GBADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)CC1 ZINC001636148186 1071068815 /nfs/dbraw/zinc/06/88/15/1071068815.db2.gz DPIZSARCEIAPHB-CQSZACIVSA-N 1 0 378.477 -0.792 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CCN3CCOC[C@@H]3C2)(N2CCOCC2)CC1 ZINC001636148652 1071069070 /nfs/dbraw/zinc/06/90/70/1071069070.db2.gz WEZRDEOPMXFUDM-KRWDZBQOSA-N 1 0 381.521 -0.491 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CCN3CCOC[C@H]3C2)(N2CCOCC2)CC1 ZINC001636148653 1071069049 /nfs/dbraw/zinc/06/90/49/1071069049.db2.gz WEZRDEOPMXFUDM-QGZVFWFLSA-N 1 0 381.521 -0.491 20 0 GBADRO COC[C@]1(CO)CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001636148930 1071068720 /nfs/dbraw/zinc/06/87/20/1071068720.db2.gz YFCTVLQPYRHJKD-GOSISDBHSA-N 1 0 384.521 -0.177 20 0 GBADRO COC[C@@]1(CO)CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001636148931 1071068857 /nfs/dbraw/zinc/06/88/57/1071068857.db2.gz YFCTVLQPYRHJKD-SFHVURJKSA-N 1 0 384.521 -0.177 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001636160206 1071070307 /nfs/dbraw/zinc/07/03/07/1071070307.db2.gz PETMYNBZJIGUNW-UHFFFAOYSA-N 1 0 385.490 -0.518 20 0 GBADRO Cc1c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001636277811 1071073109 /nfs/dbraw/zinc/07/31/09/1071073109.db2.gz CMCANQQRUUPTJV-GOSISDBHSA-N 1 0 375.429 -0.921 20 0 GBADRO Cc1c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001636277812 1071073511 /nfs/dbraw/zinc/07/35/11/1071073511.db2.gz CMCANQQRUUPTJV-SFHVURJKSA-N 1 0 375.429 -0.921 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001636278434 1071073350 /nfs/dbraw/zinc/07/33/50/1071073350.db2.gz KVGALWYHXKCLMZ-BEFAXECRSA-N 1 0 394.447 -0.747 20 0 GBADRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001636278438 1071073116 /nfs/dbraw/zinc/07/31/16/1071073116.db2.gz KVGALWYHXKCLMZ-DNVCBOLYSA-N 1 0 394.447 -0.747 20 0 GBADRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001636278440 1071073649 /nfs/dbraw/zinc/07/36/49/1071073649.db2.gz KVGALWYHXKCLMZ-HNAYVOBHSA-N 1 0 394.447 -0.747 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001636278441 1071073218 /nfs/dbraw/zinc/07/32/18/1071073218.db2.gz KVGALWYHXKCLMZ-KXBFYZLASA-N 1 0 394.447 -0.747 20 0 GBADRO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636308288 1071075299 /nfs/dbraw/zinc/07/52/99/1071075299.db2.gz SIYIJYXEDUTRRR-ILXRZTDVSA-N 1 0 380.445 -0.124 20 0 GBADRO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636308289 1071075959 /nfs/dbraw/zinc/07/59/59/1071075959.db2.gz SIYIJYXEDUTRRR-KFWWJZLASA-N 1 0 380.445 -0.124 20 0 GBADRO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636308290 1071076168 /nfs/dbraw/zinc/07/61/68/1071076168.db2.gz SIYIJYXEDUTRRR-KKUMJFAQSA-N 1 0 380.445 -0.124 20 0 GBADRO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636308291 1071075586 /nfs/dbraw/zinc/07/55/86/1071075586.db2.gz SIYIJYXEDUTRRR-ZNMIVQPWSA-N 1 0 380.445 -0.124 20 0 GBADRO O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312718 1071075370 /nfs/dbraw/zinc/07/53/70/1071075370.db2.gz JDYADXPVIQGFEI-IPYPFGDCSA-N 1 0 378.433 -0.506 20 0 GBADRO O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312724 1071075465 /nfs/dbraw/zinc/07/54/65/1071075465.db2.gz JDYADXPVIQGFEI-NFAWXSAZSA-N 1 0 378.433 -0.506 20 0 GBADRO O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312726 1071076131 /nfs/dbraw/zinc/07/61/31/1071076131.db2.gz JDYADXPVIQGFEI-UMVBOHGHSA-N 1 0 378.433 -0.506 20 0 GBADRO O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001636312727 1071075666 /nfs/dbraw/zinc/07/56/66/1071075666.db2.gz JDYADXPVIQGFEI-VNHYZAJKSA-N 1 0 378.433 -0.506 20 0 GBADRO C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001636325943 1071076747 /nfs/dbraw/zinc/07/67/47/1071076747.db2.gz QYJSAWUFJLYFMY-GDBMZVCRSA-N 1 0 387.550 -0.614 20 0 GBADRO C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001636325944 1071077180 /nfs/dbraw/zinc/07/71/80/1071077180.db2.gz QYJSAWUFJLYFMY-GOEBONIOSA-N 1 0 387.550 -0.614 20 0 GBADRO C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001636325945 1071077239 /nfs/dbraw/zinc/07/72/39/1071077239.db2.gz QYJSAWUFJLYFMY-HOCLYGCPSA-N 1 0 387.550 -0.614 20 0 GBADRO C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001636325946 1071076813 /nfs/dbraw/zinc/07/68/13/1071076813.db2.gz QYJSAWUFJLYFMY-ZBFHGGJFSA-N 1 0 387.550 -0.614 20 0 GBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC001636341682 1071077664 /nfs/dbraw/zinc/07/76/64/1071077664.db2.gz MWBNCXIQNOYWEK-GDBMZVCRSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC001636341683 1071077773 /nfs/dbraw/zinc/07/77/73/1071077773.db2.gz MWBNCXIQNOYWEK-GOEBONIOSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC001636341684 1071077697 /nfs/dbraw/zinc/07/76/97/1071077697.db2.gz MWBNCXIQNOYWEK-HOCLYGCPSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC001636341685 1071077585 /nfs/dbraw/zinc/07/75/85/1071077585.db2.gz MWBNCXIQNOYWEK-ZBFHGGJFSA-N 1 0 399.513 -0.078 20 0 GBADRO C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C[C@]2(C)C1 ZINC001636344901 1071079495 /nfs/dbraw/zinc/07/94/95/1071079495.db2.gz FBSPHOLIKJTHRA-DIFFPNOSSA-N 1 0 394.453 -0.348 20 0 GBADRO CN1C(=O)CC[C@@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O ZINC001636349103 1071079354 /nfs/dbraw/zinc/07/93/54/1071079354.db2.gz SXFIKPSTTOAHFL-CYBMUJFWSA-N 1 0 379.461 -0.351 20 0 GBADRO CN1C(=O)CC[C@H](NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O ZINC001636349104 1071079184 /nfs/dbraw/zinc/07/91/84/1071079184.db2.gz SXFIKPSTTOAHFL-ZDUSSCGKSA-N 1 0 379.461 -0.351 20 0 GBADRO CN1CC[NH+](CC2CN(C(=O)c3nc(S(N)(=O)=O)c4ccccn43)C2)CC1 ZINC001636369590 1071080012 /nfs/dbraw/zinc/08/00/12/1071080012.db2.gz YHONWRMPKHPQFI-UHFFFAOYSA-N 1 0 392.485 -0.699 20 0 GBADRO CN1CC[NH+](CC2CN(C(=O)c3nnc(C(C)(C)S(C)(=O)=O)o3)C2)CC1 ZINC001636371790 1071080289 /nfs/dbraw/zinc/08/02/89/1071080289.db2.gz CLLMARJHYDODCO-UHFFFAOYSA-N 1 0 385.490 -0.331 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001636512384 1071088103 /nfs/dbraw/zinc/08/81/03/1071088103.db2.gz DKMQNPIBZKTOGI-CHWSQXEVSA-N 1 0 392.522 -0.032 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001636512385 1071088008 /nfs/dbraw/zinc/08/80/08/1071088008.db2.gz DKMQNPIBZKTOGI-OLZOCXBDSA-N 1 0 392.522 -0.032 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001636512386 1071088315 /nfs/dbraw/zinc/08/83/15/1071088315.db2.gz DKMQNPIBZKTOGI-QWHCGFSZSA-N 1 0 392.522 -0.032 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001636512387 1071088242 /nfs/dbraw/zinc/08/82/42/1071088242.db2.gz DKMQNPIBZKTOGI-STQMWFEESA-N 1 0 392.522 -0.032 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCCS(N)(=O)=O)c1 ZINC001636530035 1071088926 /nfs/dbraw/zinc/08/89/26/1071088926.db2.gz NQVXMFIDMJMXHL-UHFFFAOYSA-N 1 0 385.490 -0.544 20 0 GBADRO CC[NH+](CC)CCN(C(=O)C1=C2CCCN=C2NN1)[C@@H]1CCS(=O)(=O)C1 ZINC001636550561 1071089745 /nfs/dbraw/zinc/08/97/45/1071089745.db2.gz ZHJSHNDFQFCRNZ-CYBMUJFWSA-N 1 0 383.518 -0.102 20 0 GBADRO CC[NH+](CC)CCN(C(=O)C1=C2CCCN=C2NN1)[C@H]1CCS(=O)(=O)C1 ZINC001636550562 1071090269 /nfs/dbraw/zinc/09/02/69/1071090269.db2.gz ZHJSHNDFQFCRNZ-ZDUSSCGKSA-N 1 0 383.518 -0.102 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC001636569683 1071089887 /nfs/dbraw/zinc/08/98/87/1071089887.db2.gz CRPSECPNEHDBFC-CABCVRRESA-N 1 0 391.538 -0.693 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC001636569684 1071090233 /nfs/dbraw/zinc/09/02/33/1071090233.db2.gz CRPSECPNEHDBFC-HUUCEWRRSA-N 1 0 391.538 -0.693 20 0 GBADRO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1S(N)(=O)=O ZINC001636608778 1071092147 /nfs/dbraw/zinc/09/21/47/1071092147.db2.gz ALLBEDWAFVQIOJ-UHFFFAOYSA-N 1 0 382.486 -0.026 20 0 GBADRO O=C(CNC(=O)CNS(=O)(=O)c1cccnc1)NCC[NH+]1CCCCC1 ZINC001636608779 1071091793 /nfs/dbraw/zinc/09/17/93/1071091793.db2.gz AMFAELLFLUFMCI-UHFFFAOYSA-N 1 0 383.474 -0.922 20 0 GBADRO Cc1ccn(C[C@](C)(O)C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(=O)c1 ZINC001636608832 1071092421 /nfs/dbraw/zinc/09/24/21/1071092421.db2.gz CHROSQHMSBMJPK-IBGZPJMESA-N 1 0 378.473 -0.374 20 0 GBADRO Cc1ccn(C[C@@](C)(O)C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(=O)c1 ZINC001636608833 1071091764 /nfs/dbraw/zinc/09/17/64/1071091764.db2.gz CHROSQHMSBMJPK-LJQANCHMSA-N 1 0 378.473 -0.374 20 0 GBADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001636608976 1071092289 /nfs/dbraw/zinc/09/22/89/1071092289.db2.gz DFBWOPNTYJNBLJ-UHFFFAOYSA-N 1 0 398.485 -0.326 20 0 GBADRO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)C1=O ZINC001636609049 1071091963 /nfs/dbraw/zinc/09/19/63/1071091963.db2.gz HAZMVWNVMUZXMF-GOSISDBHSA-N 1 0 379.461 -0.575 20 0 GBADRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)C1=O ZINC001636609050 1071092116 /nfs/dbraw/zinc/09/21/16/1071092116.db2.gz HAZMVWNVMUZXMF-SFHVURJKSA-N 1 0 379.461 -0.575 20 0 GBADRO CC1(C)NC(=O)N(CCCC(=O)NCC(=O)NCC[NH+]2CCCCC2)C1=O ZINC001636609214 1071091686 /nfs/dbraw/zinc/09/16/86/1071091686.db2.gz JGXIYXSZJFJOBV-UHFFFAOYSA-N 1 0 381.477 -0.185 20 0 GBADRO O=C(CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCC[NH+]1CCCCC1 ZINC001636609234 1071092005 /nfs/dbraw/zinc/09/20/05/1071092005.db2.gz KJLYTPPPTVKTCF-UHFFFAOYSA-N 1 0 395.485 -0.798 20 0 GBADRO NS(=O)(=O)c1ccc(CCC(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC001636609243 1071092401 /nfs/dbraw/zinc/09/24/01/1071092401.db2.gz KWWMVQDTWCCHBP-UHFFFAOYSA-N 1 0 396.513 -0.015 20 0 GBADRO O=C(CNC(=O)CNS(=O)(=O)c1cccs1)NCC[NH+]1CCCCC1 ZINC001636609451 1071092307 /nfs/dbraw/zinc/09/23/07/1071092307.db2.gz ONOHMGCLZYYJFC-UHFFFAOYSA-N 1 0 388.515 -0.255 20 0 GBADRO C[N@H+](CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CCOCCO ZINC001636642994 1071093040 /nfs/dbraw/zinc/09/30/40/1071093040.db2.gz NRIKLQRJDXMOAJ-AWEZNQCLSA-N 1 0 375.466 -0.321 20 0 GBADRO C[N@H+](CCNC(=O)c1nccc2c1cccc2S(N)(=O)=O)CCOCCO ZINC001636644257 1071092977 /nfs/dbraw/zinc/09/29/77/1071092977.db2.gz SQSNRFRUAFLDOQ-UHFFFAOYSA-N 1 0 396.469 -0.447 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001636649079 1071093194 /nfs/dbraw/zinc/09/31/94/1071093194.db2.gz VGALWEMCTWSRFC-INIZCTEOSA-N 1 0 384.498 -0.090 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001636649080 1071093353 /nfs/dbraw/zinc/09/33/53/1071093353.db2.gz VGALWEMCTWSRFC-MRXNPFEDSA-N 1 0 384.498 -0.090 20 0 GBADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001636655923 1071094001 /nfs/dbraw/zinc/09/40/01/1071094001.db2.gz BESNPJMTNHRYDW-GFCCVEGCSA-N 1 0 389.499 -0.421 20 0 GBADRO CC[N@@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001636655924 1071093885 /nfs/dbraw/zinc/09/38/85/1071093885.db2.gz BESNPJMTNHRYDW-LBPRGKRZSA-N 1 0 389.499 -0.421 20 0 GBADRO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636705178 1071095997 /nfs/dbraw/zinc/09/59/97/1071095997.db2.gz WDLYYUQZAITZAP-HNNXBMFYSA-N 1 0 376.523 -0.819 20 0 GBADRO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636705179 1071097951 /nfs/dbraw/zinc/09/79/51/1071097951.db2.gz WDLYYUQZAITZAP-OAHLLOKOSA-N 1 0 376.523 -0.819 20 0 GBADRO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636709079 1071098089 /nfs/dbraw/zinc/09/80/89/1071098089.db2.gz JBJNMOASAKWERS-HNNXBMFYSA-N 1 0 377.489 -0.123 20 0 GBADRO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636709080 1071097710 /nfs/dbraw/zinc/09/77/10/1071097710.db2.gz JBJNMOASAKWERS-OAHLLOKOSA-N 1 0 377.489 -0.123 20 0 GBADRO O=C(CNC(=O)c1ncccc1O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636709793 1071097354 /nfs/dbraw/zinc/09/73/54/1071097354.db2.gz OBCVUMIFOPDFBF-HNNXBMFYSA-N 1 0 391.472 -0.570 20 0 GBADRO O=C(CNC(=O)c1ncccc1O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001636709794 1071097075 /nfs/dbraw/zinc/09/70/75/1071097075.db2.gz OBCVUMIFOPDFBF-OAHLLOKOSA-N 1 0 391.472 -0.570 20 0 GBADRO C[NH+](C)CCn1nccc1NC(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636715671 1071097654 /nfs/dbraw/zinc/09/76/54/1071097654.db2.gz NVRHBCHCURAGDH-UHFFFAOYSA-N 1 0 377.430 -0.008 20 0 GBADRO CC[C@H](O)Cn1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nn1 ZINC001636784246 1071101135 /nfs/dbraw/zinc/10/11/35/1071101135.db2.gz HVDUVCLSWXRSTH-AWEZNQCLSA-N 1 0 378.477 -0.005 20 0 GBADRO CC[C@@H](O)Cn1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nn1 ZINC001636784247 1071101374 /nfs/dbraw/zinc/10/13/74/1071101374.db2.gz HVDUVCLSWXRSTH-CQSZACIVSA-N 1 0 378.477 -0.005 20 0 GBADRO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001636784309 1071101098 /nfs/dbraw/zinc/10/10/98/1071101098.db2.gz JXEFLXSVOGZJCK-IBGZPJMESA-N 1 0 390.484 -0.068 20 0 GBADRO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001636784310 1071101205 /nfs/dbraw/zinc/10/12/05/1071101205.db2.gz JXEFLXSVOGZJCK-LJQANCHMSA-N 1 0 390.484 -0.068 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001636784365 1071101486 /nfs/dbraw/zinc/10/14/86/1071101486.db2.gz NCHRQOCHKIKPMU-UHFFFAOYSA-N 1 0 389.522 -0.943 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001636784388 1071100925 /nfs/dbraw/zinc/10/09/25/1071100925.db2.gz OLKUJPLYYJJZTA-HNNXBMFYSA-N 1 0 379.461 -0.818 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001636784389 1071101244 /nfs/dbraw/zinc/10/12/44/1071101244.db2.gz OLKUJPLYYJJZTA-OAHLLOKOSA-N 1 0 379.461 -0.818 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001636812287 1071102495 /nfs/dbraw/zinc/10/24/95/1071102495.db2.gz UQUSSQSCBZACDR-GFCCVEGCSA-N 1 0 387.506 -0.723 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001636812292 1071102388 /nfs/dbraw/zinc/10/23/88/1071102388.db2.gz UQUSSQSCBZACDR-LBPRGKRZSA-N 1 0 387.506 -0.723 20 0 GBADRO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001636812428 1071102263 /nfs/dbraw/zinc/10/22/63/1071102263.db2.gz YJQUHQJCEUZOSC-HNNXBMFYSA-N 1 0 396.875 -0.113 20 0 GBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001636812430 1071102285 /nfs/dbraw/zinc/10/22/85/1071102285.db2.gz YJQUHQJCEUZOSC-OAHLLOKOSA-N 1 0 396.875 -0.113 20 0 GBADRO Cc1cn2nnc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)c2c(=O)[nH]1 ZINC001636815097 1071102308 /nfs/dbraw/zinc/10/23/08/1071102308.db2.gz OVLNLPLZMCURMK-UHFFFAOYSA-N 1 0 375.433 -0.140 20 0 GBADRO CS(=O)(=O)C[C@@H](O)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001636830589 1071102315 /nfs/dbraw/zinc/10/23/15/1071102315.db2.gz ZCGSWRSMPSMHNE-HNNXBMFYSA-N 1 0 377.507 -0.418 20 0 GBADRO CS(=O)(=O)C[C@H](O)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001636830593 1071102208 /nfs/dbraw/zinc/10/22/08/1071102208.db2.gz ZCGSWRSMPSMHNE-OAHLLOKOSA-N 1 0 377.507 -0.418 20 0 GBADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001636843450 1071103783 /nfs/dbraw/zinc/10/37/83/1071103783.db2.gz LZNBRUBNZIUESI-GXTWGEPZSA-N 1 0 378.433 -0.288 20 0 GBADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001636843451 1071103698 /nfs/dbraw/zinc/10/36/98/1071103698.db2.gz LZNBRUBNZIUESI-JSGCOSHPSA-N 1 0 378.433 -0.288 20 0 GBADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001636843452 1071103814 /nfs/dbraw/zinc/10/38/14/1071103814.db2.gz LZNBRUBNZIUESI-OCCSQVGLSA-N 1 0 378.433 -0.288 20 0 GBADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001636843453 1071103825 /nfs/dbraw/zinc/10/38/25/1071103825.db2.gz LZNBRUBNZIUESI-TZMCWYRMSA-N 1 0 378.433 -0.288 20 0 GBADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001636843642 1071103551 /nfs/dbraw/zinc/10/35/51/1071103551.db2.gz NMYZFXWXOLCSKO-CYBMUJFWSA-N 1 0 379.461 -0.078 20 0 GBADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001636843643 1071103188 /nfs/dbraw/zinc/10/31/88/1071103188.db2.gz NMYZFXWXOLCSKO-ZDUSSCGKSA-N 1 0 379.461 -0.078 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cn1C ZINC001636882854 1071104621 /nfs/dbraw/zinc/10/46/21/1071104621.db2.gz DOCHMDPPHKDKBP-CABCVRRESA-N 1 0 399.517 -0.545 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cn1C ZINC001636882855 1071104737 /nfs/dbraw/zinc/10/47/37/1071104737.db2.gz DOCHMDPPHKDKBP-GJZGRUSLSA-N 1 0 399.517 -0.545 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cn1C ZINC001636882856 1071104775 /nfs/dbraw/zinc/10/47/75/1071104775.db2.gz DOCHMDPPHKDKBP-HUUCEWRRSA-N 1 0 399.517 -0.545 20 0 GBADRO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cn1C ZINC001636882857 1071104649 /nfs/dbraw/zinc/10/46/49/1071104649.db2.gz DOCHMDPPHKDKBP-LSDHHAIUSA-N 1 0 399.517 -0.545 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001636885065 1071104809 /nfs/dbraw/zinc/10/48/09/1071104809.db2.gz SHGYXTTWAWGUGO-CABCVRRESA-N 1 0 396.469 -0.670 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001636885066 1071105991 /nfs/dbraw/zinc/10/59/91/1071105991.db2.gz SHGYXTTWAWGUGO-GJZGRUSLSA-N 1 0 396.469 -0.670 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001636885067 1071105478 /nfs/dbraw/zinc/10/54/78/1071105478.db2.gz SHGYXTTWAWGUGO-HUUCEWRRSA-N 1 0 396.469 -0.670 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001636885068 1071105684 /nfs/dbraw/zinc/10/56/84/1071105684.db2.gz SHGYXTTWAWGUGO-LSDHHAIUSA-N 1 0 396.469 -0.670 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001636885078 1071105837 /nfs/dbraw/zinc/10/58/37/1071105837.db2.gz SPYDZOFOMLKDAM-AEGPPILISA-N 1 0 385.490 -0.856 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885079 1071105629 /nfs/dbraw/zinc/10/56/29/1071105629.db2.gz SPYDZOFOMLKDAM-CFVMTHIKSA-N 1 0 385.490 -0.856 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001636885080 1071105436 /nfs/dbraw/zinc/10/54/36/1071105436.db2.gz SPYDZOFOMLKDAM-NWANDNLSSA-N 1 0 385.490 -0.856 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885081 1071105525 /nfs/dbraw/zinc/10/55/25/1071105525.db2.gz SPYDZOFOMLKDAM-QEJZJMRPSA-N 1 0 385.490 -0.856 20 0 GBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885435 1071105498 /nfs/dbraw/zinc/10/54/98/1071105498.db2.gz WXHWHEZSBICYEF-CABCVRRESA-N 1 0 382.486 -0.395 20 0 GBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885436 1071106027 /nfs/dbraw/zinc/10/60/27/1071106027.db2.gz WXHWHEZSBICYEF-GJZGRUSLSA-N 1 0 382.486 -0.395 20 0 GBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001636885437 1071105804 /nfs/dbraw/zinc/10/58/04/1071105804.db2.gz WXHWHEZSBICYEF-HUUCEWRRSA-N 1 0 382.486 -0.395 20 0 GBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001636885438 1071105543 /nfs/dbraw/zinc/10/55/43/1071105543.db2.gz WXHWHEZSBICYEF-LSDHHAIUSA-N 1 0 382.486 -0.395 20 0 GBADRO CCN1C(=O)[C@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CCN2C1=O ZINC001636917525 1071106942 /nfs/dbraw/zinc/10/69/42/1071106942.db2.gz BPHRWYXCGOKJMQ-QWHCGFSZSA-N 1 0 380.449 -0.996 20 0 GBADRO CCN1C(=O)[C@@H]2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CCN2C1=O ZINC001636917526 1071107034 /nfs/dbraw/zinc/10/70/34/1071107034.db2.gz BPHRWYXCGOKJMQ-STQMWFEESA-N 1 0 380.449 -0.996 20 0 GBADRO Cc1nccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001636919804 1071106823 /nfs/dbraw/zinc/10/68/23/1071106823.db2.gz YIPVQCRJYWDVNT-HNNXBMFYSA-N 1 0 375.477 -0.044 20 0 GBADRO CN1C(=O)NC2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC001636919820 1071106998 /nfs/dbraw/zinc/10/69/98/1071106998.db2.gz YVFVLZBVBUKPDP-LBPRGKRZSA-N 1 0 380.449 -0.948 20 0 GBADRO CNS(=O)(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636924358 1071107070 /nfs/dbraw/zinc/10/70/70/1071107070.db2.gz AMWZHZTYMMJUOI-ZDUSSCGKSA-N 1 0 375.495 -0.951 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@@]4(CC[N@H+](C)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001636968723 1071108012 /nfs/dbraw/zinc/10/80/12/1071108012.db2.gz FSOZRUPOEQSRDQ-NNFUDEMPSA-N 1 0 375.473 -0.145 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@]4(CC[N@H+](C)C4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001636968724 1071107940 /nfs/dbraw/zinc/10/79/40/1071107940.db2.gz FSOZRUPOEQSRDQ-YKTARERQSA-N 1 0 375.473 -0.145 20 0 GBADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636981499 1071109449 /nfs/dbraw/zinc/10/94/49/1071109449.db2.gz SZCXLZADUHGGTJ-KBPBESRZSA-N 1 0 384.444 -0.155 20 0 GBADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001636981500 1071109185 /nfs/dbraw/zinc/10/91/85/1071109185.db2.gz SZCXLZADUHGGTJ-KGLIPLIRSA-N 1 0 384.444 -0.155 20 0 GBADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636981501 1071109301 /nfs/dbraw/zinc/10/93/01/1071109301.db2.gz SZCXLZADUHGGTJ-UONOGXRCSA-N 1 0 384.444 -0.155 20 0 GBADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001636981502 1071109462 /nfs/dbraw/zinc/10/94/62/1071109462.db2.gz SZCXLZADUHGGTJ-ZIAGYGMSSA-N 1 0 384.444 -0.155 20 0 GBADRO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001637025389 1071110415 /nfs/dbraw/zinc/11/04/15/1071110415.db2.gz PHYLYVLUZWYGIR-JKSUJKDBSA-N 1 0 382.482 -0.337 20 0 GBADRO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1OC ZINC001637025874 1071110311 /nfs/dbraw/zinc/11/03/11/1071110311.db2.gz SNZKLLHSSVIUIB-UONOGXRCSA-N 1 0 383.470 -0.116 20 0 GBADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001637087063 1071114877 /nfs/dbraw/zinc/11/48/77/1071114877.db2.gz HLDNIFHNRJVCDC-AWEZNQCLSA-N 1 0 392.543 -0.408 20 0 GBADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001637087064 1071115204 /nfs/dbraw/zinc/11/52/04/1071115204.db2.gz HLDNIFHNRJVCDC-CQSZACIVSA-N 1 0 392.543 -0.408 20 0 GBADRO O=C(Cc1nnc(C2CCOCC2)[nH]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001637087184 1071115152 /nfs/dbraw/zinc/11/51/52/1071115152.db2.gz LFUUHPILPSBISP-UHFFFAOYSA-N 1 0 393.488 -0.073 20 0 GBADRO COCCOCCc1nc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c[nH]1 ZINC001637087228 1071114696 /nfs/dbraw/zinc/11/46/96/1071114696.db2.gz MNQYDZAOXLNDGK-UHFFFAOYSA-N 1 0 396.488 -0.086 20 0 GBADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C[C@@H]21 ZINC001637115756 1071116127 /nfs/dbraw/zinc/11/61/27/1071116127.db2.gz PLFJPMFBAAMXKU-DYVFJYSZSA-N 1 0 394.497 -0.053 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001637115913 1071115982 /nfs/dbraw/zinc/11/59/82/1071115982.db2.gz WZTKUKDHVFVSJG-CVEARBPZSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001637115914 1071116014 /nfs/dbraw/zinc/11/60/14/1071116014.db2.gz WZTKUKDHVFVSJG-HOTGVXAUSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001637115915 1071115946 /nfs/dbraw/zinc/11/59/46/1071115946.db2.gz WZTKUKDHVFVSJG-HZPDHXFCSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001637115916 1071115962 /nfs/dbraw/zinc/11/59/62/1071115962.db2.gz WZTKUKDHVFVSJG-JKSUJKDBSA-N 1 0 380.489 -0.088 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)CC1 ZINC001637118823 1071116101 /nfs/dbraw/zinc/11/61/01/1071116101.db2.gz DWIVWHGVNWYGAK-UHFFFAOYSA-N 1 0 391.472 -0.459 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cn1C ZINC001637118827 1071116006 /nfs/dbraw/zinc/11/60/06/1071116006.db2.gz FBCYGWDJEZUUPR-UHFFFAOYSA-N 1 0 387.506 -0.642 20 0 GBADRO CNS(=O)(=O)N1CCC(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)CC1 ZINC001637119188 1071116121 /nfs/dbraw/zinc/11/61/21/1071116121.db2.gz KUOFRBNVORKDLR-UHFFFAOYSA-N 1 0 376.523 -0.486 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC001637119449 1071115991 /nfs/dbraw/zinc/11/59/91/1071115991.db2.gz NOLUJSUSYNPNJD-UHFFFAOYSA-N 1 0 386.493 -0.021 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137490 1071117086 /nfs/dbraw/zinc/11/70/86/1071117086.db2.gz AEQVDJAPFSTNIR-CYBMUJFWSA-N 1 0 390.444 -0.016 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)CC1=O ZINC001637137491 1071117264 /nfs/dbraw/zinc/11/72/64/1071117264.db2.gz AEQVDJAPFSTNIR-ZDUSSCGKSA-N 1 0 390.444 -0.016 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139741 1071116982 /nfs/dbraw/zinc/11/69/82/1071116982.db2.gz RUFIOPROMMIZRR-HNNXBMFYSA-N 1 0 392.456 -0.071 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)CC1=O ZINC001637139742 1071116820 /nfs/dbraw/zinc/11/68/20/1071116820.db2.gz RUFIOPROMMIZRR-OAHLLOKOSA-N 1 0 392.456 -0.071 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnc(SC)[nH]c2=O)CC1=O ZINC001637140181 1071117044 /nfs/dbraw/zinc/11/70/44/1071117044.db2.gz YZFLNQQABXRFOW-LLVKDONJSA-N 1 0 383.474 -0.187 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnc(SC)[nH]c2=O)CC1=O ZINC001637140182 1071117367 /nfs/dbraw/zinc/11/73/67/1071117367.db2.gz YZFLNQQABXRFOW-NSHDSACASA-N 1 0 383.474 -0.187 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140196 1071116962 /nfs/dbraw/zinc/11/69/62/1071116962.db2.gz ZOICXXWOINOTSG-CXAGYDPISA-N 1 0 393.440 -0.173 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140197 1071117510 /nfs/dbraw/zinc/11/75/10/1071117510.db2.gz ZOICXXWOINOTSG-DYVFJYSZSA-N 1 0 393.440 -0.173 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140198 1071116851 /nfs/dbraw/zinc/11/68/51/1071116851.db2.gz ZOICXXWOINOTSG-GUYCJALGSA-N 1 0 393.440 -0.173 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2COc3ccc(O)cc3O2)CC1=O ZINC001637140199 1071117497 /nfs/dbraw/zinc/11/74/97/1071117497.db2.gz ZOICXXWOINOTSG-SUMWQHHRSA-N 1 0 393.440 -0.173 20 0 GBADRO C[NH+]1CCN(Cc2cccc(C(=O)NC(C)(C)CNS(N)(=O)=O)c2)CC1 ZINC001637157429 1071118275 /nfs/dbraw/zinc/11/82/75/1071118275.db2.gz JIDXDXVZAYFQQP-UHFFFAOYSA-N 1 0 383.518 -0.265 20 0 GBADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2nnc3n2CCN(C)C3=O)CC1 ZINC001637187862 1071120205 /nfs/dbraw/zinc/12/02/05/1071120205.db2.gz AWRNVJYSRLJBGI-UHFFFAOYSA-N 1 0 377.493 -0.562 20 0 GBADRO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1C[N@H+](C)CCN1C ZINC001637253896 1071122718 /nfs/dbraw/zinc/12/27/18/1071122718.db2.gz XMJNKEALACGHII-BXUZGUMPSA-N 1 0 387.481 -0.093 20 0 GBADRO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001637253907 1071122790 /nfs/dbraw/zinc/12/27/90/1071122790.db2.gz XMJNKEALACGHII-FZMZJTMJSA-N 1 0 387.481 -0.093 20 0 GBADRO 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DRPOZUDTFPHRLD-JKSUJKDBSA-N 1 0 382.509 -0.504 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001638018802 1071154972 /nfs/dbraw/zinc/15/49/72/1071154972.db2.gz KBWVNENNAFRJAC-CHWSQXEVSA-N 1 0 384.477 -0.459 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001638018803 1071155142 /nfs/dbraw/zinc/15/51/42/1071155142.db2.gz KBWVNENNAFRJAC-OLZOCXBDSA-N 1 0 384.477 -0.459 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001638018804 1071155250 /nfs/dbraw/zinc/15/52/50/1071155250.db2.gz KBWVNENNAFRJAC-QWHCGFSZSA-N 1 0 384.477 -0.459 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001638018805 1071155084 /nfs/dbraw/zinc/15/50/84/1071155084.db2.gz KBWVNENNAFRJAC-STQMWFEESA-N 1 0 384.477 -0.459 20 0 GBADRO C[NH+]1CCC(CNC(=O)CCCN2C(=O)CNC2=O)(N2CCOCC2)CC1 ZINC001638027078 1071156023 /nfs/dbraw/zinc/15/60/23/1071156023.db2.gz FGEWUVDRWVMYIJ-UHFFFAOYSA-N 1 0 381.477 -0.769 20 0 GBADRO C[NH+]1CCC(CNC(=O)c2cnc3n(c2=O)CCS3)(N2CCOCC2)CC1 ZINC001638027118 1071155934 /nfs/dbraw/zinc/15/59/34/1071155934.db2.gz HBMLNTWYTQOQDU-UHFFFAOYSA-N 1 0 393.513 -0.125 20 0 GBADRO C[NH+]1CCC(CNC(=O)CCC(=O)N2CCC(O)CC2)(N2CCOCC2)CC1 ZINC001638027257 1071155802 /nfs/dbraw/zinc/15/58/02/1071155802.db2.gz IPBABQBPJGDBLI-UHFFFAOYSA-N 1 0 396.532 -0.337 20 0 GBADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1C1CCCC1 ZINC001638027984 1071155980 /nfs/dbraw/zinc/15/59/80/1071155980.db2.gz OKTIAKZNPWBMDR-GFCCVEGCSA-N 1 0 397.501 -0.133 20 0 GBADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC[N@@H+]1C1CCCC1 ZINC001638027986 1071156113 /nfs/dbraw/zinc/15/61/13/1071156113.db2.gz OKTIAKZNPWBMDR-LBPRGKRZSA-N 1 0 397.501 -0.133 20 0 GBADRO COc1cc[nH+]c(N2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)c1 ZINC001638033854 1071157066 /nfs/dbraw/zinc/15/70/66/1071157066.db2.gz QYGQRTMMDPREII-UHFFFAOYSA-N 1 0 386.416 -0.543 20 0 GBADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001638034036 1071156995 /nfs/dbraw/zinc/15/69/95/1071156995.db2.gz TUFTVWYAYKVAPY-UHFFFAOYSA-N 1 0 377.449 -0.582 20 0 GBADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1nnc2n1CCNC2=O ZINC001638034393 1071157232 /nfs/dbraw/zinc/15/72/32/1071157232.db2.gz XLGHWTIEAXYBKJ-CYBMUJFWSA-N 1 0 391.476 -0.194 20 0 GBADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)NCc1nnc2n1CCNC2=O ZINC001638034395 1071157379 /nfs/dbraw/zinc/15/73/79/1071157379.db2.gz XLGHWTIEAXYBKJ-ZDUSSCGKSA-N 1 0 391.476 -0.194 20 0 GBADRO CS(=O)(=O)NCCC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001638072729 1071158124 /nfs/dbraw/zinc/15/81/24/1071158124.db2.gz PUANWNJAUMCKOT-UHFFFAOYSA-N 1 0 396.513 -0.061 20 0 GBADRO CNS(=O)(=O)CC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001638072812 1071158477 /nfs/dbraw/zinc/15/84/77/1071158477.db2.gz VNILPCBRFKFVQZ-UHFFFAOYSA-N 1 0 382.486 -0.451 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC001638118406 1071159270 /nfs/dbraw/zinc/15/92/70/1071159270.db2.gz IGJPDPTWPRMKRA-HNNXBMFYSA-N 1 0 383.470 -0.260 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC001638118407 1071159358 /nfs/dbraw/zinc/15/93/58/1071159358.db2.gz IGJPDPTWPRMKRA-OAHLLOKOSA-N 1 0 383.470 -0.260 20 0 GBADRO COc1c(F)cc(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1S(N)(=O)=O ZINC001638118875 1071159090 /nfs/dbraw/zinc/15/90/90/1071159090.db2.gz ZIERLXPAKBVZFR-GFCCVEGCSA-N 1 0 389.449 -0.403 20 0 GBADRO COc1c(F)cc(CC(=O)N[C@H](CO)C[NH+]2CCCC2)cc1S(N)(=O)=O ZINC001638118876 1071159416 /nfs/dbraw/zinc/15/94/16/1071159416.db2.gz ZIERLXPAKBVZFR-LBPRGKRZSA-N 1 0 389.449 -0.403 20 0 GBADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCNC(=O)CO ZINC001638122262 1071159137 /nfs/dbraw/zinc/15/91/37/1071159137.db2.gz MVQUAQIZWKNMDK-UHFFFAOYSA-N 1 0 390.440 -0.829 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC001638193895 1071161166 /nfs/dbraw/zinc/16/11/66/1071161166.db2.gz ZIKUZDCEAKJGER-KRWDZBQOSA-N 1 0 392.500 -0.330 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC001638193896 1071161291 /nfs/dbraw/zinc/16/12/91/1071161291.db2.gz ZIKUZDCEAKJGER-QGZVFWFLSA-N 1 0 392.500 -0.330 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC[N@H+](C)C1 ZINC001638206285 1071161956 /nfs/dbraw/zinc/16/19/56/1071161956.db2.gz BOAMOZKJQBIEMK-HNNXBMFYSA-N 1 0 388.424 -0.085 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC[N@H+](C)C1 ZINC001638206286 1071162168 /nfs/dbraw/zinc/16/21/68/1071162168.db2.gz BOAMOZKJQBIEMK-OAHLLOKOSA-N 1 0 388.424 -0.085 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CC[N@H+](C)C1 ZINC001638207864 1071162946 /nfs/dbraw/zinc/16/29/46/1071162946.db2.gz PRFCZRLNZKRJFI-HNNXBMFYSA-N 1 0 378.429 -0.722 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CC[N@H+](C)C1 ZINC001638207866 1071163086 /nfs/dbraw/zinc/16/30/86/1071163086.db2.gz PRFCZRLNZKRJFI-OAHLLOKOSA-N 1 0 378.429 -0.722 20 0 GBADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1nnc2n1CCNC2=O ZINC001638229513 1071163074 /nfs/dbraw/zinc/16/30/74/1071163074.db2.gz BCHGQIDANSGOTL-UHFFFAOYSA-N 1 0 376.461 -0.285 20 0 GBADRO O=C(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001638236719 1071164167 /nfs/dbraw/zinc/16/41/67/1071164167.db2.gz MJMIOIZFTUZNOD-LLVKDONJSA-N 1 0 387.396 -0.184 20 0 GBADRO O=C(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001638236720 1071164025 /nfs/dbraw/zinc/16/40/25/1071164025.db2.gz MJMIOIZFTUZNOD-NSHDSACASA-N 1 0 387.396 -0.184 20 0 GBADRO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+](C)CCO)CC1 ZINC001638253113 1071167246 /nfs/dbraw/zinc/16/72/46/1071167246.db2.gz MXPPVANVOJRAGG-UHFFFAOYSA-N 1 0 388.490 -0.268 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC001638257021 1071167296 /nfs/dbraw/zinc/16/72/96/1071167296.db2.gz CVQQICBPZXJNPO-UHFFFAOYSA-N 1 0 391.515 -0.453 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC001638257119 1071167084 /nfs/dbraw/zinc/16/70/84/1071167084.db2.gz IKWBBYHCYWELHJ-UHFFFAOYSA-N 1 0 380.264 -0.250 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001638257535 1071167220 /nfs/dbraw/zinc/16/72/20/1071167220.db2.gz XMXCPIGTYGJLKD-UHFFFAOYSA-N 1 0 385.486 -0.514 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)c3c[nH]nc3S(N)(=O)=O)CC2)CC1 ZINC001638294661 1071167850 /nfs/dbraw/zinc/16/78/50/1071167850.db2.gz OZQBZLPOJZHALP-UHFFFAOYSA-N 1 0 384.506 -0.311 20 0 GBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)CCC2=O)c1 ZINC001638296497 1071168201 /nfs/dbraw/zinc/16/82/01/1071168201.db2.gz DSTFQTYDFSSUDA-UHFFFAOYSA-N 1 0 382.442 -0.386 20 0 GBADRO Cn1cnc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cc1=O ZINC001638297105 1071168095 /nfs/dbraw/zinc/16/80/95/1071168095.db2.gz KLEXEBDHFUKLQF-UHFFFAOYSA-N 1 0 379.442 -0.128 20 0 GBADRO CCOC(=O)C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001638297313 1071168040 /nfs/dbraw/zinc/16/80/40/1071168040.db2.gz NAHDEYIEDOTOOB-AWEZNQCLSA-N 1 0 387.458 -0.221 20 0 GBADRO CCOC(=O)C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001638297314 1071168136 /nfs/dbraw/zinc/16/81/36/1071168136.db2.gz NAHDEYIEDOTOOB-CQSZACIVSA-N 1 0 387.458 -0.221 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1 ZINC001638302190 1071168033 /nfs/dbraw/zinc/16/80/33/1071168033.db2.gz CBGOTRWMLOLDEL-CYBMUJFWSA-N 1 0 397.497 -0.061 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1 ZINC001638302191 1071167989 /nfs/dbraw/zinc/16/79/89/1071167989.db2.gz CBGOTRWMLOLDEL-ZDUSSCGKSA-N 1 0 397.497 -0.061 20 0 GBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CC([NH2+]C2CCOCC2)C1 ZINC001638302393 1071168054 /nfs/dbraw/zinc/16/80/54/1071168054.db2.gz LSIHNRNJFGLMTI-UHFFFAOYSA-N 1 0 395.481 -0.026 20 0 GBADRO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC([NH2+]C2CCOCC2)C1 ZINC001638302437 1071168010 /nfs/dbraw/zinc/16/80/10/1071168010.db2.gz NGMCRULEKZDTFG-UHFFFAOYSA-N 1 0 393.469 -0.179 20 0 GBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1 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Cc1cn2nnc(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)c2c(=O)[nH]1 ZINC001639159666 1071202992 /nfs/dbraw/zinc/20/29/92/1071202992.db2.gz UWXWQNHZAYRQCJ-UHFFFAOYSA-N 1 0 389.460 -0.335 20 0 GBADRO CN(C)S(=O)(=O)CCC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001639159893 1071203506 /nfs/dbraw/zinc/20/35/06/1071203506.db2.gz ZWDHAWHUNZYTTC-UHFFFAOYSA-N 1 0 376.523 -0.819 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)CC1 ZINC001639197332 1071204409 /nfs/dbraw/zinc/20/44/09/1071204409.db2.gz FVUZXWNALQBGNA-UHFFFAOYSA-N 1 0 387.440 -0.448 20 0 GBADRO C[C@H](O)CN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@H](C)C1 ZINC001639229840 1071205783 /nfs/dbraw/zinc/20/57/83/1071205783.db2.gz HVUZSMZFYWMNBR-NEPJUHHUSA-N 1 0 381.458 -0.491 20 0 GBADRO C[C@@H](O)CN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)C1 ZINC001639229841 1071206117 /nfs/dbraw/zinc/20/61/17/1071206117.db2.gz HVUZSMZFYWMNBR-NWDGAFQWSA-N 1 0 381.458 -0.491 20 0 GBADRO C[C@H](O)CN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)C1 ZINC001639229842 1071206083 /nfs/dbraw/zinc/20/60/83/1071206083.db2.gz HVUZSMZFYWMNBR-RYUDHWBXSA-N 1 0 381.458 -0.491 20 0 GBADRO C[C@@H](O)CN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@H](C)C1 ZINC001639229843 1071206334 /nfs/dbraw/zinc/20/63/34/1071206334.db2.gz HVUZSMZFYWMNBR-VXGBXAGGSA-N 1 0 381.458 -0.491 20 0 GBADRO CCN(CCO)CCNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001639243297 1071206003 /nfs/dbraw/zinc/20/60/03/1071206003.db2.gz GONYOOPKJSQWNU-UHFFFAOYSA-N 1 0 392.518 -0.047 20 0 GBADRO O=C(N1CCN2CCOC[C@@]2(CO)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639282506 1071207484 /nfs/dbraw/zinc/20/74/84/1071207484.db2.gz IWLRZYHOTVHHPW-LEWJYISDSA-N 1 0 389.496 -0.081 20 0 GBADRO O=C(N1CCN2CCOC[C@]2(CO)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639282507 1071207247 /nfs/dbraw/zinc/20/72/47/1071207247.db2.gz IWLRZYHOTVHHPW-NHCUHLMSSA-N 1 0 389.496 -0.081 20 0 GBADRO O=C(N1CCN2CCOC[C@]2(CO)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639282508 1071207321 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PXJYCCSXPOFSDZ-CQSZACIVSA-N 1 0 396.469 -0.358 20 0 GBADRO Cn1c2[nH]c(CCC(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)nc2c(=O)[nH]c1=O ZINC001639307284 1071209080 /nfs/dbraw/zinc/20/90/80/1071209080.db2.gz RCMDPUXXSJILKF-GFCCVEGCSA-N 1 0 390.444 -0.336 20 0 GBADRO Cn1c2[nH]c(CCC(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)nc2c(=O)[nH]c1=O ZINC001639307285 1071209021 /nfs/dbraw/zinc/20/90/21/1071209021.db2.gz RCMDPUXXSJILKF-LBPRGKRZSA-N 1 0 390.444 -0.336 20 0 GBADRO Cc1c(C(=O)N(CCO)C2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001639321136 1071209284 /nfs/dbraw/zinc/20/92/84/1071209284.db2.gz GIBSXTJMJOSUAY-UHFFFAOYSA-N 1 0 389.456 -0.531 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001639323859 1071209668 /nfs/dbraw/zinc/20/96/68/1071209668.db2.gz FTDVSFZUDGKKRF-BQYQJAHWSA-N 1 0 377.489 -0.371 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001639323863 1071209503 /nfs/dbraw/zinc/20/95/03/1071209503.db2.gz FTDVSFZUDGKKRF-FPLPWBNLSA-N 1 0 377.489 -0.371 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC001639361038 1071210706 /nfs/dbraw/zinc/21/07/06/1071210706.db2.gz QAZOEODYWGXJGB-AWEZNQCLSA-N 1 0 381.454 -0.243 20 0 GBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001639361039 1071212058 /nfs/dbraw/zinc/21/20/58/1071212058.db2.gz QAZOEODYWGXJGB-CQSZACIVSA-N 1 0 381.454 -0.243 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001639361578 1071211640 /nfs/dbraw/zinc/21/16/40/1071211640.db2.gz UQZVQGCEZLXKHT-AWEZNQCLSA-N 1 0 381.454 -0.243 20 0 GBADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001639361579 1071211503 /nfs/dbraw/zinc/21/15/03/1071211503.db2.gz UQZVQGCEZLXKHT-CQSZACIVSA-N 1 0 381.454 -0.243 20 0 GBADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001639365969 1071211670 /nfs/dbraw/zinc/21/16/70/1071211670.db2.gz UQQIHSULJVGQKH-HFTRVMKXSA-N 1 0 391.443 -0.081 20 0 GBADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001639365970 1071211984 /nfs/dbraw/zinc/21/19/84/1071211984.db2.gz UQQIHSULJVGQKH-KYJSFNMBSA-N 1 0 391.443 -0.081 20 0 GBADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001639366071 1071211543 /nfs/dbraw/zinc/21/15/43/1071211543.db2.gz UQQIHSULJVGQKH-LESCRADOSA-N 1 0 391.443 -0.081 20 0 GBADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001639366072 1071212157 /nfs/dbraw/zinc/21/21/57/1071212157.db2.gz UQQIHSULJVGQKH-ZVZYQTTQSA-N 1 0 391.443 -0.081 20 0 GBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001639374003 1071211908 /nfs/dbraw/zinc/21/19/08/1071211908.db2.gz MHZSUVOVJXZUMS-KRWDZBQOSA-N 1 0 393.469 -0.398 20 0 GBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001639374009 1071211707 /nfs/dbraw/zinc/21/17/07/1071211707.db2.gz MHZSUVOVJXZUMS-QGZVFWFLSA-N 1 0 393.469 -0.398 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)OC)CC1=O ZINC001639380609 1071213184 /nfs/dbraw/zinc/21/31/84/1071213184.db2.gz WFAQWKVNUKSYOD-CWRNSKLLSA-N 1 0 391.472 -0.057 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)OC)CC1=O ZINC001639380610 1071213383 /nfs/dbraw/zinc/21/33/83/1071213383.db2.gz WFAQWKVNUKSYOD-FVQBIDKESA-N 1 0 391.472 -0.057 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)OC)CC1=O ZINC001639380612 1071212933 /nfs/dbraw/zinc/21/29/33/1071212933.db2.gz WFAQWKVNUKSYOD-NUEKZKHPSA-N 1 0 391.472 -0.057 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)OC)CC1=O ZINC001639380613 1071212977 /nfs/dbraw/zinc/21/29/77/1071212977.db2.gz WFAQWKVNUKSYOD-VNQPRFMTSA-N 1 0 391.472 -0.057 20 0 GBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001639440092 1071213931 /nfs/dbraw/zinc/21/39/31/1071213931.db2.gz XUSHMGBTOKIBJE-QGZVFWFLSA-N 1 0 394.453 -0.156 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2coc(CN(C)C)n2)c1 ZINC001639454580 1071214112 /nfs/dbraw/zinc/21/41/12/1071214112.db2.gz JPQUXZPDSQIFEM-UHFFFAOYSA-N 1 0 385.446 -0.081 20 0 GBADRO COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639509851 1071216144 /nfs/dbraw/zinc/21/61/44/1071216144.db2.gz HHNSYDACQKDVGL-APWZRJJASA-N 1 0 387.440 -0.037 20 0 GBADRO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639509853 1071216258 /nfs/dbraw/zinc/21/62/58/1071216258.db2.gz HHNSYDACQKDVGL-LPHOPBHVSA-N 1 0 387.440 -0.037 20 0 GBADRO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639509855 1071216498 /nfs/dbraw/zinc/21/64/98/1071216498.db2.gz HHNSYDACQKDVGL-QFBILLFUSA-N 1 0 387.440 -0.037 20 0 GBADRO COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001639509856 1071216353 /nfs/dbraw/zinc/21/63/53/1071216353.db2.gz HHNSYDACQKDVGL-VQIMIIECSA-N 1 0 387.440 -0.037 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001639526470 1071217113 /nfs/dbraw/zinc/21/71/13/1071217113.db2.gz XIQDVQCJBBYETR-CYBMUJFWSA-N 1 0 393.444 -0.991 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001639548769 1071218348 /nfs/dbraw/zinc/21/83/48/1071218348.db2.gz QOIFMKCFWSUZIU-UHFFFAOYSA-N 1 0 376.417 -0.474 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001639684685 1071221880 /nfs/dbraw/zinc/22/18/80/1071221880.db2.gz KMJPAQTVZGTVBD-DFHBCGBQSA-N 1 0 394.497 -0.138 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001639684686 1071222114 /nfs/dbraw/zinc/22/21/14/1071222114.db2.gz KMJPAQTVZGTVBD-WRSAYESZSA-N 1 0 394.497 -0.138 20 0 GBADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001639739418 1071224329 /nfs/dbraw/zinc/22/43/29/1071224329.db2.gz WWROGEWONDCPAD-UHFFFAOYSA-N 1 0 387.506 -0.528 20 0 GBADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001639742432 1071224280 /nfs/dbraw/zinc/22/42/80/1071224280.db2.gz WJSFXYIKUFYSOB-CQSZACIVSA-N 1 0 381.481 -0.881 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1=O ZINC001639747021 1071224409 /nfs/dbraw/zinc/22/44/09/1071224409.db2.gz DVKVDHVGNJKJRL-INIZCTEOSA-N 1 0 392.456 -0.494 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1=O ZINC001639747022 1071224215 /nfs/dbraw/zinc/22/42/15/1071224215.db2.gz DVKVDHVGNJKJRL-MRXNPFEDSA-N 1 0 392.456 -0.494 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1=O ZINC001639747080 1071224424 /nfs/dbraw/zinc/22/44/24/1071224424.db2.gz GKGZDSSYLLXESL-UHFFFAOYSA-N 1 0 378.838 -0.574 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001639793548 1071226526 /nfs/dbraw/zinc/22/65/26/1071226526.db2.gz OFSVTFWCGWNTBX-NEPJUHHUSA-N 1 0 381.495 -0.647 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001639793549 1071226339 /nfs/dbraw/zinc/22/63/39/1071226339.db2.gz OFSVTFWCGWNTBX-NWDGAFQWSA-N 1 0 381.495 -0.647 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001639793550 1071226227 /nfs/dbraw/zinc/22/62/27/1071226227.db2.gz OFSVTFWCGWNTBX-RYUDHWBXSA-N 1 0 381.495 -0.647 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001639793551 1071226200 /nfs/dbraw/zinc/22/62/00/1071226200.db2.gz OFSVTFWCGWNTBX-VXGBXAGGSA-N 1 0 381.495 -0.647 20 0 GBADRO Cn1nc2c(c1C(=O)N1CCOC3(CC[NH+](C)CC3)C1)CS(=O)(=O)CC2 ZINC001639842588 1071228342 /nfs/dbraw/zinc/22/83/42/1071228342.db2.gz MIXGXUUCVXGACG-UHFFFAOYSA-N 1 0 382.486 -0.172 20 0 GBADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCNC(=O)CO)CC1)C(C)C ZINC001639857106 1071228203 /nfs/dbraw/zinc/22/82/03/1071228203.db2.gz ZOPHQSPOCOTXIN-UHFFFAOYSA-N 1 0 384.521 -0.041 20 0 GBADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1 ZINC001639974899 1071232468 /nfs/dbraw/zinc/23/24/68/1071232468.db2.gz LPHBZEZFFMOQIK-JZLYGMAVSA-N 1 0 387.502 -0.575 20 0 GBADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1 ZINC001639974900 1071232731 /nfs/dbraw/zinc/23/27/31/1071232731.db2.gz LPHBZEZFFMOQIK-UIORMTCPSA-N 1 0 387.502 -0.575 20 0 GBADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(N)=O ZINC001639986641 1071232059 /nfs/dbraw/zinc/23/20/59/1071232059.db2.gz KRQNNMNEEWEBNC-CABCVRRESA-N 1 0 394.472 -0.026 20 0 GBADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(N)=O ZINC001639986642 1071232013 /nfs/dbraw/zinc/23/20/13/1071232013.db2.gz KRQNNMNEEWEBNC-GJZGRUSLSA-N 1 0 394.472 -0.026 20 0 GBADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C(N)=O ZINC001639986643 1071232394 /nfs/dbraw/zinc/23/23/94/1071232394.db2.gz KRQNNMNEEWEBNC-HUUCEWRRSA-N 1 0 394.472 -0.026 20 0 GBADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C(N)=O ZINC001639986644 1071232440 /nfs/dbraw/zinc/23/24/40/1071232440.db2.gz KRQNNMNEEWEBNC-LSDHHAIUSA-N 1 0 394.472 -0.026 20 0 GBADRO CN(CC1C[NH+](C)C1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001640000493 1071232327 /nfs/dbraw/zinc/23/23/27/1071232327.db2.gz XLSKHLLNEWJWOR-UHFFFAOYSA-N 1 0 389.499 -0.612 20 0 GBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001640128735 1071236648 /nfs/dbraw/zinc/23/66/48/1071236648.db2.gz USOAJLTUCXWEFV-CVEARBPZSA-N 1 0 382.486 -0.192 20 0 GBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001640128736 1071237166 /nfs/dbraw/zinc/23/71/66/1071237166.db2.gz USOAJLTUCXWEFV-HOTGVXAUSA-N 1 0 382.486 -0.192 20 0 GBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001640128737 1071236946 /nfs/dbraw/zinc/23/69/46/1071236946.db2.gz USOAJLTUCXWEFV-HZPDHXFCSA-N 1 0 382.486 -0.192 20 0 GBADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001640128738 1071236578 /nfs/dbraw/zinc/23/65/78/1071236578.db2.gz USOAJLTUCXWEFV-JKSUJKDBSA-N 1 0 382.486 -0.192 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n2ccccc12 ZINC001640133369 1071236617 /nfs/dbraw/zinc/23/66/17/1071236617.db2.gz XCOVVWAVKQBDKR-CHWSQXEVSA-N 1 0 393.469 -0.347 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n2ccccc12 ZINC001640133370 1071237002 /nfs/dbraw/zinc/23/70/02/1071237002.db2.gz XCOVVWAVKQBDKR-OLZOCXBDSA-N 1 0 393.469 -0.347 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n2ccccc12 ZINC001640133371 1071236434 /nfs/dbraw/zinc/23/64/34/1071236434.db2.gz XCOVVWAVKQBDKR-QWHCGFSZSA-N 1 0 393.469 -0.347 20 0 GBADRO NS(=O)(=O)c1nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n2ccccc12 ZINC001640133372 1071237089 /nfs/dbraw/zinc/23/70/89/1071237089.db2.gz XCOVVWAVKQBDKR-STQMWFEESA-N 1 0 393.469 -0.347 20 0 GBADRO Cc1sc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001640194206 1071238182 /nfs/dbraw/zinc/23/81/82/1071238182.db2.gz QKAYXPZSITVWKD-UHFFFAOYSA-N 1 0 376.504 -0.204 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001640197008 1071238291 /nfs/dbraw/zinc/23/82/91/1071238291.db2.gz IJYKEIYTYAYEAN-UHFFFAOYSA-N 1 0 396.473 -0.926 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CCOCC3)CC2)cn1C ZINC001640212518 1071239689 /nfs/dbraw/zinc/23/96/89/1071239689.db2.gz LLQHCIKNDOEGNB-UHFFFAOYSA-N 1 0 399.517 -0.234 20 0 GBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001640216395 1071239300 /nfs/dbraw/zinc/23/93/00/1071239300.db2.gz PWOUJZRSTRPUHA-AWEZNQCLSA-N 1 0 378.433 -0.240 20 0 GBADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001640216396 1071239245 /nfs/dbraw/zinc/23/92/45/1071239245.db2.gz PWOUJZRSTRPUHA-CQSZACIVSA-N 1 0 378.433 -0.240 20 0 GBADRO NC(=O)c1cn(CCC(=O)NC2CC[NH+](C3CCOCC3)CC2)c(=O)[nH]c1=O ZINC001640216497 1071238985 /nfs/dbraw/zinc/23/89/85/1071238985.db2.gz VMZNPDZDNHWVIF-UHFFFAOYSA-N 1 0 393.444 -0.803 20 0 GBADRO C[C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001640221838 1071239282 /nfs/dbraw/zinc/23/92/82/1071239282.db2.gz BVDFLVATTHLJTG-NSHDSACASA-N 1 0 377.488 -0.565 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226900 1071239492 /nfs/dbraw/zinc/23/94/92/1071239492.db2.gz FVNJPIUCFNWFLT-CABCVRRESA-N 1 0 391.472 -0.212 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226901 1071239357 /nfs/dbraw/zinc/23/93/57/1071239357.db2.gz FVNJPIUCFNWFLT-GJZGRUSLSA-N 1 0 391.472 -0.212 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226902 1071239444 /nfs/dbraw/zinc/23/94/44/1071239444.db2.gz FVNJPIUCFNWFLT-HUUCEWRRSA-N 1 0 391.472 -0.212 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1=O ZINC001640226903 1071239611 /nfs/dbraw/zinc/23/96/11/1071239611.db2.gz FVNJPIUCFNWFLT-LSDHHAIUSA-N 1 0 391.472 -0.212 20 0 GBADRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001640240081 1071240426 /nfs/dbraw/zinc/24/04/26/1071240426.db2.gz NXBIMGPSTLFDCC-MSOLQXFVSA-N 1 0 377.489 -0.020 20 0 GBADRO CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@H]1CC[N@H+](CC)C1 ZINC001640248349 1071240554 /nfs/dbraw/zinc/24/05/54/1071240554.db2.gz JSXCPZDEKDFWGG-AWEZNQCLSA-N 1 0 376.523 -0.237 20 0 GBADRO CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001640248350 1071240498 /nfs/dbraw/zinc/24/04/98/1071240498.db2.gz JSXCPZDEKDFWGG-CQSZACIVSA-N 1 0 376.523 -0.237 20 0 GBADRO COCC[NH+](CCOC)C1CCN(C(=O)C2(CS(C)(=O)=O)COC2)CC1 ZINC001640281844 1071240295 /nfs/dbraw/zinc/24/02/95/1071240295.db2.gz XMTQBAVEQRPISH-UHFFFAOYSA-N 1 0 392.518 -0.367 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001640281867 1071240233 /nfs/dbraw/zinc/24/02/33/1071240233.db2.gz XHOCDODJFHZZMF-RKTXRCNFSA-N 1 0 394.520 -0.702 20 0 GBADRO NS(=O)(=O)CCOCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC001640285273 1071241905 /nfs/dbraw/zinc/24/19/05/1071241905.db2.gz PWUDVABKPVTBDB-UHFFFAOYSA-N 1 0 399.513 -0.074 20 0 GBADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001640311177 1071242754 /nfs/dbraw/zinc/24/27/54/1071242754.db2.gz NWZAMRUNVPSCHT-AWEZNQCLSA-N 1 0 383.474 -0.667 20 0 GBADRO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001640311178 1071242662 /nfs/dbraw/zinc/24/26/62/1071242662.db2.gz NWZAMRUNVPSCHT-CQSZACIVSA-N 1 0 383.474 -0.667 20 0 GBADRO CN1CC[C@H]([NH+]2CCC(NC(=O)CCC(=O)N3CCC(O)CC3)CC2)C1=O ZINC001640311216 1071242454 /nfs/dbraw/zinc/24/24/54/1071242454.db2.gz OMGBMWTWFXCZHU-INIZCTEOSA-N 1 0 380.489 -0.439 20 0 GBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCC(=O)N3CCC(O)CC3)CC2)C1=O ZINC001640311218 1071242918 /nfs/dbraw/zinc/24/29/18/1071242918.db2.gz OMGBMWTWFXCZHU-MRXNPFEDSA-N 1 0 380.489 -0.439 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001640388659 1071244840 /nfs/dbraw/zinc/24/48/40/1071244840.db2.gz LMAIVNANGOWGPA-UHFFFAOYSA-N 1 0 376.523 -0.331 20 0 GBADRO Cn1cc(S(=O)(=O)NCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)cn1 ZINC001640441288 1071245854 /nfs/dbraw/zinc/24/58/54/1071245854.db2.gz XTSZLXCPEUSUNT-UHFFFAOYSA-N 1 0 399.517 -0.462 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC001640491462 1071246282 /nfs/dbraw/zinc/24/62/82/1071246282.db2.gz LFUZKEFLNQDHQY-GDBMZVCRSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC001640491463 1071246164 /nfs/dbraw/zinc/24/61/64/1071246164.db2.gz LFUZKEFLNQDHQY-GOEBONIOSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC001640491464 1071245829 /nfs/dbraw/zinc/24/58/29/1071245829.db2.gz LFUZKEFLNQDHQY-HOCLYGCPSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC001640491465 1071246252 /nfs/dbraw/zinc/24/62/52/1071246252.db2.gz LFUZKEFLNQDHQY-ZBFHGGJFSA-N 1 0 399.513 -0.078 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001640538162 1071247225 /nfs/dbraw/zinc/24/72/25/1071247225.db2.gz VFRTZDPGLAJILZ-FRRDWIJNSA-N 1 0 377.445 -0.373 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001640538164 1071247167 /nfs/dbraw/zinc/24/71/67/1071247167.db2.gz VFRTZDPGLAJILZ-JHJVBQTASA-N 1 0 377.445 -0.373 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001640538166 1071247266 /nfs/dbraw/zinc/24/72/66/1071247266.db2.gz VFRTZDPGLAJILZ-RWMBFGLXSA-N 1 0 377.445 -0.373 20 0 GBADRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001640538167 1071247785 /nfs/dbraw/zinc/24/77/85/1071247785.db2.gz VFRTZDPGLAJILZ-YNEHKIRRSA-N 1 0 377.445 -0.373 20 0 GBADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)Cn2ncnn2)c1 ZINC001640551458 1071248215 /nfs/dbraw/zinc/24/82/15/1071248215.db2.gz SLKJLVKQFLUVAG-UHFFFAOYSA-N 1 0 381.462 -0.068 20 0 GBADRO COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001640673546 1071250855 /nfs/dbraw/zinc/25/08/55/1071250855.db2.gz CTOHBQFUNIHEQQ-ZNMIVQPWSA-N 1 0 378.491 -0.758 20 0 GBADRO O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001640691573 1071252148 /nfs/dbraw/zinc/25/21/48/1071252148.db2.gz QOLPAZBIMMQJDB-UHFFFAOYSA-N 1 0 393.488 -0.041 20 0 GBADRO O=C(CNC(=O)CNS(=O)(=O)c1ccccc1)NCC[NH+]1CCCCC1 ZINC001640691745 1071252355 /nfs/dbraw/zinc/25/23/55/1071252355.db2.gz WDSMRAMSWYXZSF-UHFFFAOYSA-N 1 0 382.486 -0.317 20 0 GBADRO NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)ccc1F ZINC001640691772 1071252483 /nfs/dbraw/zinc/25/24/83/1071252483.db2.gz WTZFHXBRAPVRDJ-UHFFFAOYSA-N 1 0 386.449 -0.195 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001640691871 1071252394 /nfs/dbraw/zinc/25/23/94/1071252394.db2.gz ZHCDAIABJOEGQL-UHFFFAOYSA-N 1 0 382.486 -0.026 20 0 GBADRO Cc1cc2c(N3CC(NC(=O)[C@H]4CC(=O)N(CC[NH+](C)C)C4)C3)nccn2n1 ZINC001640707091 1071252435 /nfs/dbraw/zinc/25/24/35/1071252435.db2.gz DTFIRVILDOLCEM-AWEZNQCLSA-N 1 0 385.472 -0.247 20 0 GBADRO Cc1cc2c(N3CC(NC(=O)[C@@H]4CC(=O)N(CC[NH+](C)C)C4)C3)nccn2n1 ZINC001640707092 1071252118 /nfs/dbraw/zinc/25/21/18/1071252118.db2.gz DTFIRVILDOLCEM-CQSZACIVSA-N 1 0 385.472 -0.247 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1=O ZINC001640709053 1071252077 /nfs/dbraw/zinc/25/20/77/1071252077.db2.gz OMJIONJSSAVROE-UHFFFAOYSA-N 1 0 398.504 -0.115 20 0 GBADRO C[NH+](C)CCN1CCN(C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)CC1=O ZINC001640709315 1071251716 /nfs/dbraw/zinc/25/17/16/1071251716.db2.gz YVPNIYSBHNJOCM-UHFFFAOYSA-N 1 0 387.462 -0.805 20 0 GBADRO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001640759577 1071254204 /nfs/dbraw/zinc/25/42/04/1071254204.db2.gz CHOGSWPGPLJYOD-ZDUSSCGKSA-N 1 0 384.477 -0.462 20 0 GBADRO CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001640759796 1071254091 /nfs/dbraw/zinc/25/40/91/1071254091.db2.gz OAJVDKSNSFQOGK-ZDUSSCGKSA-N 1 0 384.477 -0.186 20 0 GBADRO CC(C)(C)OC(=O)NCCOCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001640788360 1071255177 /nfs/dbraw/zinc/25/51/77/1071255177.db2.gz MUQMRPCUTMBCOJ-KBXCAEBGSA-N 1 0 387.477 -0.130 20 0 GBADRO COc1ccccc1C(=O)NCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001640788558 1071255040 /nfs/dbraw/zinc/25/50/40/1071255040.db2.gz SZYSYUYKWABBOY-IFXJQAMLSA-N 1 0 377.441 -0.233 20 0 GBADRO O=C(COCCNC(=O)c1ccccc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001640791950 1071254979 /nfs/dbraw/zinc/25/49/79/1071254979.db2.gz FVKGTDFNPMGWRX-FXAWDEMLSA-N 1 0 391.468 -0.225 20 0 GBADRO O=C(CCNS(=O)(=O)c1cccnc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001640792661 1071255457 /nfs/dbraw/zinc/25/54/57/1071255457.db2.gz SUWJQTHKKPTUFV-WMLDXEAASA-N 1 0 398.485 -0.908 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001640821578 1071254964 /nfs/dbraw/zinc/25/49/64/1071254964.db2.gz SNPFKHBHTOWREY-UHFFFAOYSA-N 1 0 388.534 -0.046 20 0 GBADRO C[N@@H+]1C[C@@]23CN(C(=O)CCn4cc(C(N)=O)c(=O)[nH]c4=O)C[C@]2(C1)CCCC3 ZINC001640822112 1071255885 /nfs/dbraw/zinc/25/58/85/1071255885.db2.gz JPWAAEKZPFFUSD-KDURUIRLSA-N 1 0 389.456 -0.228 20 0 GBADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)[C@H](c2cnn(C)c2)C1 ZINC001640829384 1071257006 /nfs/dbraw/zinc/25/70/06/1071257006.db2.gz YVHKYDQYAIUFHX-BQFCYCMXSA-N 1 0 398.529 -0.100 20 0 GBADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)[C@@H](c2cnn(C)c2)C1 ZINC001640829385 1071256955 /nfs/dbraw/zinc/25/69/55/1071256955.db2.gz YVHKYDQYAIUFHX-JZXOWHBKSA-N 1 0 398.529 -0.100 20 0 GBADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)[C@@H](c2cnn(C)c2)C1 ZINC001640829386 1071257292 /nfs/dbraw/zinc/25/72/92/1071257292.db2.gz YVHKYDQYAIUFHX-LZLYRXPVSA-N 1 0 398.529 -0.100 20 0 GBADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)[C@H](c2cnn(C)c2)C1 ZINC001640829387 1071256923 /nfs/dbraw/zinc/25/69/23/1071256923.db2.gz YVHKYDQYAIUFHX-XYJFISCASA-N 1 0 398.529 -0.100 20 0 GBADRO COCCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC001640856971 1071256739 /nfs/dbraw/zinc/25/67/39/1071256739.db2.gz BIUZRLQLKOCGPP-UHFFFAOYSA-N 1 0 385.486 -0.202 20 0 GBADRO COc1c(F)cc(CC(=O)NCC[NH+]2CCC(O)CC2)cc1S(N)(=O)=O ZINC001640857720 1071257176 /nfs/dbraw/zinc/25/71/76/1071257176.db2.gz ROKROPDZCHFFCS-UHFFFAOYSA-N 1 0 389.449 -0.403 20 0 GBADRO O=C(COCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)NCc1cccnc1 ZINC001640859717 1071257030 /nfs/dbraw/zinc/25/70/30/1071257030.db2.gz HLXIGRLQRIAZPN-KRWDZBQOSA-N 1 0 376.457 -0.228 20 0 GBADRO O=C(COCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NCc1cccnc1 ZINC001640859718 1071257120 /nfs/dbraw/zinc/25/71/20/1071257120.db2.gz HLXIGRLQRIAZPN-QGZVFWFLSA-N 1 0 376.457 -0.228 20 0 GBADRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC001640860537 1071256777 /nfs/dbraw/zinc/25/67/77/1071256777.db2.gz OIHRUPRYBKKWBI-UHFFFAOYSA-N 1 0 375.429 -0.873 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)c3cnn(C[C@H](O)CO)c3)cc2)CC1 ZINC001640880971 1071258310 /nfs/dbraw/zinc/25/83/10/1071258310.db2.gz HEEKDDYDCKIAAN-IBGZPJMESA-N 1 0 387.484 -0.039 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)c3cnn(C[C@@H](O)CO)c3)cc2)CC1 ZINC001640880972 1071257974 /nfs/dbraw/zinc/25/79/74/1071257974.db2.gz HEEKDDYDCKIAAN-LJQANCHMSA-N 1 0 387.484 -0.039 20 0 GBADRO CN(C)S(=O)(=O)N(C)CC(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001640881139 1071258125 /nfs/dbraw/zinc/25/81/25/1071258125.db2.gz OUQQSTCPUNOLSS-UHFFFAOYSA-N 1 0 397.545 -0.165 20 0 GBADRO COC[C@@]1(CO)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001640895890 1071258389 /nfs/dbraw/zinc/25/83/89/1071258389.db2.gz FBYOMRWIMGBADE-APWZRJJASA-N 1 0 383.489 -0.443 20 0 GBADRO COC[C@@]1(CO)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001640895891 1071257995 /nfs/dbraw/zinc/25/79/95/1071257995.db2.gz FBYOMRWIMGBADE-LPHOPBHVSA-N 1 0 383.489 -0.443 20 0 GBADRO COC[C@]1(CO)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001640895892 1071258076 /nfs/dbraw/zinc/25/80/76/1071258076.db2.gz FBYOMRWIMGBADE-QFBILLFUSA-N 1 0 383.489 -0.443 20 0 GBADRO COC[C@]1(CO)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001640895893 1071258183 /nfs/dbraw/zinc/25/81/83/1071258183.db2.gz FBYOMRWIMGBADE-VQIMIIECSA-N 1 0 383.489 -0.443 20 0 GBADRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC001640948519 1071259930 /nfs/dbraw/zinc/25/99/30/1071259930.db2.gz OYYPGBRXRJOKAE-LLVKDONJSA-N 1 0 382.442 -0.206 20 0 GBADRO CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC001640948520 1071260482 /nfs/dbraw/zinc/26/04/82/1071260482.db2.gz OYYPGBRXRJOKAE-NSHDSACASA-N 1 0 382.442 -0.206 20 0 GBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001640973805 1071260165 /nfs/dbraw/zinc/26/01/65/1071260165.db2.gz SXVZZQPVQJHTNU-CQSZACIVSA-N 1 0 386.460 -0.399 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC001641151366 1071264425 /nfs/dbraw/zinc/26/44/25/1071264425.db2.gz RBRSRBJMBAVYJE-UHFFFAOYSA-N 1 0 380.854 -0.328 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCn1cnc2c1ncnc2N ZINC001641151402 1071264691 /nfs/dbraw/zinc/26/46/91/1071264691.db2.gz SMNGAYYTQUTXPE-UHFFFAOYSA-N 1 0 376.465 -0.333 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH+]2CCCC2)C1 ZINC001641154910 1071264664 /nfs/dbraw/zinc/26/46/64/1071264664.db2.gz MZWPUYZYHBNCHY-GFCCVEGCSA-N 1 0 380.470 -0.241 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC([NH+]2CCCC2)C1 ZINC001641154911 1071264547 /nfs/dbraw/zinc/26/45/47/1071264547.db2.gz MZWPUYZYHBNCHY-LBPRGKRZSA-N 1 0 380.470 -0.241 20 0 GBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641159769 1071264537 /nfs/dbraw/zinc/26/45/37/1071264537.db2.gz FPKWTEWYCBRCQW-KBPBESRZSA-N 1 0 380.470 -0.330 20 0 GBADRO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641159771 1071264019 /nfs/dbraw/zinc/26/40/19/1071264019.db2.gz FPKWTEWYCBRCQW-KGLIPLIRSA-N 1 0 380.470 -0.330 20 0 GBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641159772 1071264705 /nfs/dbraw/zinc/26/47/05/1071264705.db2.gz FPKWTEWYCBRCQW-UONOGXRCSA-N 1 0 380.470 -0.330 20 0 GBADRO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641159773 1071264131 /nfs/dbraw/zinc/26/41/31/1071264131.db2.gz FPKWTEWYCBRCQW-ZIAGYGMSSA-N 1 0 380.470 -0.330 20 0 GBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001641172143 1071264286 /nfs/dbraw/zinc/26/42/86/1071264286.db2.gz NEFUTHUAMSHOHP-CYBMUJFWSA-N 1 0 399.517 -0.154 20 0 GBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001641172144 1071264699 /nfs/dbraw/zinc/26/46/99/1071264699.db2.gz NEFUTHUAMSHOHP-ZDUSSCGKSA-N 1 0 399.517 -0.154 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001641193415 1071265504 /nfs/dbraw/zinc/26/55/04/1071265504.db2.gz UJVHZDVUIZSDHJ-HNNXBMFYSA-N 1 0 381.502 -0.399 20 0 GBADRO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001641193416 1071265556 /nfs/dbraw/zinc/26/55/56/1071265556.db2.gz UJVHZDVUIZSDHJ-OAHLLOKOSA-N 1 0 381.502 -0.399 20 0 GBADRO Cn1c2[nH]c(CCC(=O)NC[C@H]3CCCC[N@@H+]3CCO)nc2c(=O)[nH]c1=O ZINC001641209021 1071265231 /nfs/dbraw/zinc/26/52/31/1071265231.db2.gz LNGSNZXTCUDINL-LLVKDONJSA-N 1 0 378.433 -0.742 20 0 GBADRO Cn1c2[nH]c(CCC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)nc2c(=O)[nH]c1=O ZINC001641209022 1071266082 /nfs/dbraw/zinc/26/60/82/1071266082.db2.gz LNGSNZXTCUDINL-NSHDSACASA-N 1 0 378.433 -0.742 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001641262207 1071267707 /nfs/dbraw/zinc/26/77/07/1071267707.db2.gz RGKKNBAUPNGCBG-GDBMZVCRSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001641262208 1071267729 /nfs/dbraw/zinc/26/77/29/1071267729.db2.gz RGKKNBAUPNGCBG-GOEBONIOSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001641262209 1071267776 /nfs/dbraw/zinc/26/77/76/1071267776.db2.gz RGKKNBAUPNGCBG-HOCLYGCPSA-N 1 0 399.513 -0.078 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001641262210 1071267594 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1 0 398.504 -0.068 20 0 GBADRO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1=O ZINC001642081885 1071290395 /nfs/dbraw/zinc/29/03/95/1071290395.db2.gz GBOCPUMMSDTNPR-LSDHHAIUSA-N 1 0 398.504 -0.068 20 0 GBADRO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001642082995 1071290274 /nfs/dbraw/zinc/29/02/74/1071290274.db2.gz QFVWAGDTHIJXRN-FZMZJTMJSA-N 1 0 382.848 -0.503 20 0 GBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001642082996 1071290214 /nfs/dbraw/zinc/29/02/14/1071290214.db2.gz QFVWAGDTHIJXRN-SMDDNHRTSA-N 1 0 382.848 -0.503 20 0 GBADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001642207347 1071291186 /nfs/dbraw/zinc/29/11/86/1071291186.db2.gz NFRYWZZGSDULKU-HNNXBMFYSA-N 1 0 384.502 -0.005 20 0 GBADRO CC[C@H](CO)[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001642207348 1071291011 /nfs/dbraw/zinc/29/10/11/1071291011.db2.gz NFRYWZZGSDULKU-OAHLLOKOSA-N 1 0 384.502 -0.005 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001642320583 1071293428 /nfs/dbraw/zinc/29/34/28/1071293428.db2.gz HGZGWKQSIOEZSO-QBPKDAKJSA-N 1 0 393.488 -0.521 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001642320587 1071292979 /nfs/dbraw/zinc/29/29/79/1071292979.db2.gz HGZGWKQSIOEZSO-YLFCFFPRSA-N 1 0 393.488 -0.521 20 0 GBADRO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001642326606 1071293228 /nfs/dbraw/zinc/29/32/28/1071293228.db2.gz AXZBBYRYOGYXIA-OCCSQVGLSA-N 1 0 391.877 -0.838 20 0 GBADRO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001642326609 1071293932 /nfs/dbraw/zinc/29/39/32/1071293932.db2.gz AXZBBYRYOGYXIA-TZMCWYRMSA-N 1 0 391.877 -0.838 20 0 GBADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001642326918 1071294111 /nfs/dbraw/zinc/29/41/11/1071294111.db2.gz DZHJKLYXFUUGJW-MRXNPFEDSA-N 1 0 397.497 -0.372 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001642334069 1071293752 /nfs/dbraw/zinc/29/37/52/1071293752.db2.gz VSYPZSFVRZRVPT-AWEZNQCLSA-N 1 0 385.424 -0.519 20 0 GBADRO NC(=O)c1cn(CCC(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC001642334070 1071294189 /nfs/dbraw/zinc/29/41/89/1071294189.db2.gz VSYPZSFVRZRVPT-CQSZACIVSA-N 1 0 385.424 -0.519 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC001642346318 1071294158 /nfs/dbraw/zinc/29/41/58/1071294158.db2.gz WSUSAVNEDISSKF-DGNOSDGRSA-N 1 0 392.518 -0.155 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC001642346319 1071294145 /nfs/dbraw/zinc/29/41/45/1071294145.db2.gz WSUSAVNEDISSKF-GWUWNPHMSA-N 1 0 392.518 -0.155 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC001642346320 1071294096 /nfs/dbraw/zinc/29/40/96/1071294096.db2.gz WSUSAVNEDISSKF-GYMHETDLSA-N 1 0 392.518 -0.155 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC001642346321 1071294168 /nfs/dbraw/zinc/29/41/68/1071294168.db2.gz WSUSAVNEDISSKF-KRIMKBQASA-N 1 0 392.518 -0.155 20 0 GBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001642406098 1071296123 /nfs/dbraw/zinc/29/61/23/1071296123.db2.gz LVWNJNQJNBDZDI-CYBMUJFWSA-N 1 0 380.449 -0.401 20 0 GBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001642406103 1071295946 /nfs/dbraw/zinc/29/59/46/1071295946.db2.gz LVWNJNQJNBDZDI-ZDUSSCGKSA-N 1 0 380.449 -0.401 20 0 GBADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001642406390 1071296027 /nfs/dbraw/zinc/29/60/27/1071296027.db2.gz RXWSQWPQZBMVJU-UHFFFAOYSA-N 1 0 399.517 -0.270 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC001642410931 1071296756 /nfs/dbraw/zinc/29/67/56/1071296756.db2.gz AOEPHMBQKVIRGR-CALCHBBNSA-N 1 0 387.484 -0.366 20 0 GBADRO NC(=O)[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC001642410932 1071296920 /nfs/dbraw/zinc/29/69/20/1071296920.db2.gz AOEPHMBQKVIRGR-IAGOWNOFSA-N 1 0 387.484 -0.366 20 0 GBADRO NC(=O)[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C(N)=O ZINC001642410933 1071296862 /nfs/dbraw/zinc/29/68/62/1071296862.db2.gz AOEPHMBQKVIRGR-IRXDYDNUSA-N 1 0 387.484 -0.366 20 0 GBADRO C[NH+](C)CCOc1ccc(CCC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001642413596 1071296749 /nfs/dbraw/zinc/29/67/49/1071296749.db2.gz XLLUMCMTSXUDHN-HOTGVXAUSA-N 1 0 376.457 -0.395 20 0 GBADRO C[NH+](C)CCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001642413597 1071296683 /nfs/dbraw/zinc/29/66/83/1071296683.db2.gz XLLUMCMTSXUDHN-HZPDHXFCSA-N 1 0 376.457 -0.395 20 0 GBADRO C[NH+](C)CCOc1ccc(CCC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001642413598 1071296776 /nfs/dbraw/zinc/29/67/76/1071296776.db2.gz XLLUMCMTSXUDHN-IYBDPMFKSA-N 1 0 376.457 -0.395 20 0 GBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)CCO ZINC001642422684 1071297562 /nfs/dbraw/zinc/29/75/62/1071297562.db2.gz VXUTYPXIGWWAFT-AAEUAGOBSA-N 1 0 379.504 -0.842 20 0 GBADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)CCO ZINC001642422686 1071298190 /nfs/dbraw/zinc/29/81/90/1071298190.db2.gz VXUTYPXIGWWAFT-DGCLKSJQSA-N 1 0 379.504 -0.842 20 0 GBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)CCO ZINC001642422687 1071297515 /nfs/dbraw/zinc/29/75/15/1071297515.db2.gz VXUTYPXIGWWAFT-WCQYABFASA-N 1 0 379.504 -0.842 20 0 GBADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CC[N@H+](C)CCO ZINC001642422688 1071297865 /nfs/dbraw/zinc/29/78/65/1071297865.db2.gz VXUTYPXIGWWAFT-YPMHNXCESA-N 1 0 379.504 -0.842 20 0 GBADRO Cn1c2[nH]c(CCC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)nc2c(=O)[nH]c1=O ZINC001642431948 1071298092 /nfs/dbraw/zinc/29/80/92/1071298092.db2.gz AZFFXOBZIYVMTM-JTQLQIEISA-N 1 0 378.433 -0.744 20 0 GBADRO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC001642432047 1071297487 /nfs/dbraw/zinc/29/74/87/1071297487.db2.gz GDAFIWTVWJFSOC-NSHDSACASA-N 1 0 377.445 -0.849 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC001642432158 1071297653 /nfs/dbraw/zinc/29/76/53/1071297653.db2.gz JDKTXRPAJFLEFC-HIFRSBDPSA-N 1 0 399.513 -0.079 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC001642432159 1071297455 /nfs/dbraw/zinc/29/74/55/1071297455.db2.gz JDKTXRPAJFLEFC-ZFWWWQNUSA-N 1 0 399.513 -0.079 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC001642432317 1071297614 /nfs/dbraw/zinc/29/76/14/1071297614.db2.gz OURZLNQVFBOXNC-LBPRGKRZSA-N 1 0 395.485 -0.197 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCC1 ZINC001642454868 1071299849 /nfs/dbraw/zinc/29/98/49/1071299849.db2.gz MXWBJERXJDCYBK-DOTOQJQBSA-N 1 0 390.550 -0.096 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCC1 ZINC001642454874 1071299580 /nfs/dbraw/zinc/29/95/80/1071299580.db2.gz MXWBJERXJDCYBK-NVXWUHKLSA-N 1 0 390.550 -0.096 20 0 GBADRO CN(C)S(=O)(=O)N[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCC1 ZINC001642454880 1071299531 /nfs/dbraw/zinc/29/95/31/1071299531.db2.gz MXWBJERXJDCYBK-RDJZCZTQSA-N 1 0 390.550 -0.096 20 0 GBADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCC1 ZINC001642454881 1071299612 /nfs/dbraw/zinc/29/96/12/1071299612.db2.gz MXWBJERXJDCYBK-WBVHZDCISA-N 1 0 390.550 -0.096 20 0 GBADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001642463034 1071299716 /nfs/dbraw/zinc/29/97/16/1071299716.db2.gz RERCGAUFTJIPHT-DOMZBBRYSA-N 1 0 390.440 -0.075 20 0 GBADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001642463035 1071299622 /nfs/dbraw/zinc/29/96/22/1071299622.db2.gz RERCGAUFTJIPHT-IUODEOHRSA-N 1 0 390.440 -0.075 20 0 GBADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001642463036 1071299819 /nfs/dbraw/zinc/29/98/19/1071299819.db2.gz RERCGAUFTJIPHT-SWLSCSKDSA-N 1 0 390.440 -0.075 20 0 GBADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001642463037 1071299510 /nfs/dbraw/zinc/29/95/10/1071299510.db2.gz RERCGAUFTJIPHT-WFASDCNBSA-N 1 0 390.440 -0.075 20 0 GBADRO O=C(CC[NH+]1CCC(O)(CN2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC001642465696 1071299681 /nfs/dbraw/zinc/29/96/81/1071299681.db2.gz VJCPUBNIZHGDKZ-UHFFFAOYSA-N 1 0 396.410 -0.076 20 0 GBADRO NS(=O)(=O)N1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001642512043 1071301457 /nfs/dbraw/zinc/30/14/57/1071301457.db2.gz SRKQQDYAJFIITB-KRWDZBQOSA-N 1 0 382.486 -0.593 20 0 GBADRO NS(=O)(=O)N1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001642512044 1071301496 /nfs/dbraw/zinc/30/14/96/1071301496.db2.gz SRKQQDYAJFIITB-QGZVFWFLSA-N 1 0 382.486 -0.593 20 0 GBADRO CN1CCN(c2cc[nH+]c(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)CC1 ZINC001642532991 1071302855 /nfs/dbraw/zinc/30/28/55/1071302855.db2.gz OKGOKOWZGCWLQH-UHFFFAOYSA-N 1 0 379.446 -0.684 20 0 GBADRO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001642576041 1071304107 /nfs/dbraw/zinc/30/41/07/1071304107.db2.gz KIKRFBHEEFQIAG-AWEZNQCLSA-N 1 0 381.433 -0.287 20 0 GBADRO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1 ZINC001642576042 1071303669 /nfs/dbraw/zinc/30/36/69/1071303669.db2.gz KIKRFBHEEFQIAG-CQSZACIVSA-N 1 0 381.433 -0.287 20 0 GBADRO O=C1NC(=O)C2(CC[NH+](CCOCCN3C(=O)c4ccccc4C3=O)CC2)N1 ZINC001642599013 1071305301 /nfs/dbraw/zinc/30/53/01/1071305301.db2.gz KCGJNUJTFKHJAW-UHFFFAOYSA-N 1 0 386.408 -0.027 20 0 GBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001642601017 1071304777 /nfs/dbraw/zinc/30/47/77/1071304777.db2.gz VPXGKOPTRZMUPS-UHFFFAOYSA-N 1 0 376.523 -0.237 20 0 GBADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC001642672493 1071305990 /nfs/dbraw/zinc/30/59/90/1071305990.db2.gz QHOLJXPACARYJZ-GFCCVEGCSA-N 1 0 396.410 -0.274 20 0 GBADRO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC001642672494 1071306113 /nfs/dbraw/zinc/30/61/13/1071306113.db2.gz QHOLJXPACARYJZ-LBPRGKRZSA-N 1 0 396.410 -0.274 20 0 GBADRO C[NH+](C)CC1(O)CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001642676981 1071307762 /nfs/dbraw/zinc/30/77/62/1071307762.db2.gz XRRAIVYAEMSZPA-UHFFFAOYSA-N 1 0 384.458 -0.812 20 0 GBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[NH+](CCCCCO)CC1 ZINC001642682256 1071307711 /nfs/dbraw/zinc/30/77/11/1071307711.db2.gz AYTRAQZNFGXDDD-UHFFFAOYSA-N 1 0 384.502 -0.146 20 0 GBADRO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH+](CCCCCO)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001642684012 1071307461 /nfs/dbraw/zinc/30/74/61/1071307461.db2.gz WBQRRGHZSJRZCR-BRWVUGGUSA-N 1 0 393.488 -0.783 20 0 GBADRO CNS(=O)(=O)CCCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001642721117 1071307688 /nfs/dbraw/zinc/30/76/88/1071307688.db2.gz GUGQETIHHJLXOU-UHFFFAOYSA-N 1 0 383.474 -0.027 20 0 GBADRO COc1cccc(C[C@@H]2CN(C(=O)c3c[nH]nc3S(N)(=O)=O)CC[NH2+]2)c1 ZINC001642751768 1071307069 /nfs/dbraw/zinc/30/70/69/1071307069.db2.gz BLCMUIDJYNRBIZ-GFCCVEGCSA-N 1 0 379.442 -0.278 20 0 GBADRO COc1cccc(C[C@H]2CN(C(=O)c3c[nH]nc3S(N)(=O)=O)CC[NH2+]2)c1 ZINC001642751769 1071308030 /nfs/dbraw/zinc/30/80/30/1071308030.db2.gz BLCMUIDJYNRBIZ-LBPRGKRZSA-N 1 0 379.442 -0.278 20 0 GBADRO COC(=O)CC1([NH2+]CC(=O)N2CCOC(C)(C)C2)CCS(=O)(=O)CC1 ZINC001642786591 1071309560 /nfs/dbraw/zinc/30/95/60/1071309560.db2.gz VNNAORWKACAUCE-UHFFFAOYSA-N 1 0 376.475 -0.276 20 0 GBADRO C[NH+]1CCC(CNC(=O)c2ccc(S(N)(=O)=O)cc2)(N2CCOCC2)CC1 ZINC001642797283 1071310134 /nfs/dbraw/zinc/31/01/34/1071310134.db2.gz GEJNTXLBDKHCGQ-UHFFFAOYSA-N 1 0 396.513 -0.140 20 0 GBADRO Cc1cc(O)cc(=O)n1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001642797931 1071309663 /nfs/dbraw/zinc/30/96/63/1071309663.db2.gz NEBQTHQEVLODNQ-UHFFFAOYSA-N 1 0 378.473 -0.225 20 0 GBADRO C[NH+]1CCC(CNC(=O)c2cnc3c(c2)NC(=O)CO3)(N2CCOCC2)CC1 ZINC001642798088 1071310066 /nfs/dbraw/zinc/31/00/66/1071310066.db2.gz OLUILLBYLITLDN-UHFFFAOYSA-N 1 0 389.456 -0.061 20 0 GBADRO C[NH+]1CCC(CNC(=O)CNC(=O)c2ccncc2)(N2CCOCC2)CC1 ZINC001642798432 1071309738 /nfs/dbraw/zinc/30/97/38/1071309738.db2.gz SVWHNSBRUHMFND-UHFFFAOYSA-N 1 0 375.473 -0.276 20 0 GBADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001642799391 1071311184 /nfs/dbraw/zinc/31/11/84/1071311184.db2.gz QBEAKYBUUSOKEN-SJORKVTESA-N 1 0 399.513 -0.207 20 0 GBADRO CN1C(=O)C(=O)N(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1=O ZINC001642904048 1071313634 /nfs/dbraw/zinc/31/36/34/1071313634.db2.gz QKXHXJOHHLICSW-UHFFFAOYSA-N 1 0 388.424 -0.450 20 0 GBADRO Cn1c(=O)ccn(CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1=O ZINC001642904066 1071314110 /nfs/dbraw/zinc/31/41/10/1071314110.db2.gz RGAIKADVGHAGTE-UHFFFAOYSA-N 1 0 386.452 -0.310 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001642912507 1071314720 /nfs/dbraw/zinc/31/47/20/1071314720.db2.gz IBCMOWSNIVGBER-KRWDZBQOSA-N 1 0 379.505 -0.648 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001642912508 1071314663 /nfs/dbraw/zinc/31/46/63/1071314663.db2.gz IBCMOWSNIVGBER-QGZVFWFLSA-N 1 0 379.505 -0.648 20 0 GBADRO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001642938092 1071315635 /nfs/dbraw/zinc/31/56/35/1071315635.db2.gz KAYWRDKTOSRPIP-IBGZPJMESA-N 1 0 391.472 -0.479 20 0 GBADRO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001642938093 1071315755 /nfs/dbraw/zinc/31/57/55/1071315755.db2.gz KAYWRDKTOSRPIP-LJQANCHMSA-N 1 0 391.472 -0.479 20 0 GBADRO COC(=O)CC1([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC001642952099 1071316467 /nfs/dbraw/zinc/31/64/67/1071316467.db2.gz GCMKSPKMODPEHD-UHFFFAOYSA-N 1 0 375.491 -0.008 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC[N@H+](C)C1 ZINC001642959586 1071316324 /nfs/dbraw/zinc/31/63/24/1071316324.db2.gz BASFWKZKFMVYTM-DOMZBBRYSA-N 1 0 388.424 -0.310 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC[N@H+](C)C1 ZINC001642959587 1071316614 /nfs/dbraw/zinc/31/66/14/1071316614.db2.gz BASFWKZKFMVYTM-WFASDCNBSA-N 1 0 388.424 -0.310 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001642973447 1071317237 /nfs/dbraw/zinc/31/72/37/1071317237.db2.gz RJECVWYOXDFATQ-UHFFFAOYSA-N 1 0 389.566 -0.904 20 0 GBADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001643003218 1071318171 /nfs/dbraw/zinc/31/81/71/1071318171.db2.gz DZHJKLYXFUUGJW-INIZCTEOSA-N 1 0 397.497 -0.372 20 0 GBADRO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC001643009656 1071318884 /nfs/dbraw/zinc/31/88/84/1071318884.db2.gz UGLOWLAIQOBDCT-ZDUSSCGKSA-N 1 0 380.449 -0.134 20 0 GBADRO CC[NH+]1CCC(N2CCCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001643045779 1071319133 /nfs/dbraw/zinc/31/91/33/1071319133.db2.gz GUESBQDOAFBKOI-UHFFFAOYSA-N 1 0 398.533 -0.451 20 0 GBADRO CC(C)[NH+]1CCN(CCCC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)CC1 ZINC001643050844 1071320203 /nfs/dbraw/zinc/32/02/03/1071320203.db2.gz JUWOSMNUWVEMEI-UHFFFAOYSA-N 1 0 388.534 -0.659 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1=O ZINC001643099170 1071320932 /nfs/dbraw/zinc/32/09/32/1071320932.db2.gz KMOBQMCRHIJDDQ-AJNGGQMLSA-N 1 0 396.488 -0.498 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1=O ZINC001643099171 1071321705 /nfs/dbraw/zinc/32/17/05/1071321705.db2.gz KMOBQMCRHIJDDQ-BYNSBNAKSA-N 1 0 396.488 -0.498 20 0 GBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1=O ZINC001643099172 1071321009 /nfs/dbraw/zinc/32/10/09/1071321009.db2.gz KMOBQMCRHIJDDQ-XQLPTFJDSA-N 1 0 396.488 -0.498 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1=O ZINC001643099173 1071321097 /nfs/dbraw/zinc/32/10/97/1071321097.db2.gz KMOBQMCRHIJDDQ-ZQDZILKHSA-N 1 0 396.488 -0.498 20 0 GBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001643099513 1071320978 /nfs/dbraw/zinc/32/09/78/1071320978.db2.gz WMVAQSMKWWRXET-CKFHNAJUSA-N 1 0 377.441 -0.194 20 0 GBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001643099515 1071321219 /nfs/dbraw/zinc/32/12/19/1071321219.db2.gz WMVAQSMKWWRXET-NJSLBKSFSA-N 1 0 377.441 -0.194 20 0 GBADRO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001643117659 1071322375 /nfs/dbraw/zinc/32/23/75/1071322375.db2.gz XGIPIKFEPMXYPZ-KBXCAEBGSA-N 1 0 399.513 -0.288 20 0 GBADRO COC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001643117660 1071323099 /nfs/dbraw/zinc/32/30/99/1071323099.db2.gz XGIPIKFEPMXYPZ-KDOFPFPSSA-N 1 0 399.513 -0.288 20 0 GBADRO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001643117661 1071322992 /nfs/dbraw/zinc/32/29/92/1071322992.db2.gz XGIPIKFEPMXYPZ-KSSFIOAISA-N 1 0 399.513 -0.288 20 0 GBADRO COC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001643117662 1071322076 /nfs/dbraw/zinc/32/20/76/1071322076.db2.gz XGIPIKFEPMXYPZ-RDTXWAMCSA-N 1 0 399.513 -0.288 20 0 GBADRO COc1cc(C(=O)NCC(=O)N[C@H](CO)Cc2c[nH]cn2)cc(OC)c1OC ZINC001643132827 1071323053 /nfs/dbraw/zinc/32/30/53/1071323053.db2.gz OPISVGRTVUVOBW-ZDUSSCGKSA-N 1 0 392.412 -0.115 20 0 GBADRO O=C(N[C@H](CO)Cc1c[nH]cn1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001643132945 1071322815 /nfs/dbraw/zinc/32/28/15/1071322815.db2.gz SYDJVUOKFCSCRU-HNNXBMFYSA-N 1 0 393.469 -0.075 20 0 GBADRO O=C(N[C@H](CO)Cc1c[nH]cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001643133086 1071323455 /nfs/dbraw/zinc/32/34/55/1071323455.db2.gz ZMBDWAICNPNNLX-HNNXBMFYSA-N 1 0 394.453 -0.236 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001643136512 1071322274 /nfs/dbraw/zinc/32/22/74/1071322274.db2.gz WXLNVNHPYPEFED-KBPBESRZSA-N 1 0 395.460 -0.055 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001643136522 1071322199 /nfs/dbraw/zinc/32/21/99/1071322199.db2.gz WXLNVNHPYPEFED-UONOGXRCSA-N 1 0 395.460 -0.055 20 0 GBADRO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001643161485 1071324162 /nfs/dbraw/zinc/32/41/62/1071324162.db2.gz QHSZQSVHRHASNH-CALCHBBNSA-N 1 0 398.463 -0.080 20 0 GBADRO COc1cc(C(=O)NCC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc(OC)c1OC ZINC001643208273 1071325189 /nfs/dbraw/zinc/32/51/89/1071325189.db2.gz JZZABLBQDJLUKW-IBGZPJMESA-N 1 0 395.456 -0.033 20 0 GBADRO COc1cc(C(=O)NCC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc(OC)c1OC ZINC001643208274 1071324881 /nfs/dbraw/zinc/32/48/81/1071324881.db2.gz JZZABLBQDJLUKW-LJQANCHMSA-N 1 0 395.456 -0.033 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001643208885 1071326340 /nfs/dbraw/zinc/32/63/40/1071326340.db2.gz SZAACSZGVCSPOV-BLLLJJGKSA-N 1 0 387.506 -0.771 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001643208886 1071326805 /nfs/dbraw/zinc/32/68/05/1071326805.db2.gz SZAACSZGVCSPOV-LRDDRELGSA-N 1 0 387.506 -0.771 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001643208968 1071326116 /nfs/dbraw/zinc/32/61/16/1071326116.db2.gz SZAACSZGVCSPOV-MLGOLLRUSA-N 1 0 387.506 -0.771 20 0 GBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001643208970 1071326628 /nfs/dbraw/zinc/32/66/28/1071326628.db2.gz SZAACSZGVCSPOV-WBMJQRKESA-N 1 0 387.506 -0.771 20 0 GBADRO Cc1nc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001643209230 1071326547 /nfs/dbraw/zinc/32/65/47/1071326547.db2.gz YUVKASZDNUIYFA-CYBMUJFWSA-N 1 0 388.354 -0.149 20 0 GBADRO Cc1nc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001643209231 1071326773 /nfs/dbraw/zinc/32/67/73/1071326773.db2.gz YUVKASZDNUIYFA-ZDUSSCGKSA-N 1 0 388.354 -0.149 20 0 GBADRO O=C(CNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001643232714 1071326321 /nfs/dbraw/zinc/32/63/21/1071326321.db2.gz SKKCDLKZDMQVIM-CVEARBPZSA-N 1 0 382.486 -0.146 20 0 GBADRO O=C(CNS(=O)(=O)c1cccnc1)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001643232715 1071326425 /nfs/dbraw/zinc/32/64/25/1071326425.db2.gz SKKCDLKZDMQVIM-HOTGVXAUSA-N 1 0 382.486 -0.146 20 0 GBADRO O=C(CNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001643232716 1071326753 /nfs/dbraw/zinc/32/67/53/1071326753.db2.gz SKKCDLKZDMQVIM-HZPDHXFCSA-N 1 0 382.486 -0.146 20 0 GBADRO O=C(CNS(=O)(=O)c1cccnc1)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001643232717 1071326821 /nfs/dbraw/zinc/32/68/21/1071326821.db2.gz SKKCDLKZDMQVIM-JKSUJKDBSA-N 1 0 382.486 -0.146 20 0 GBADRO COCCN(CC1CC[NH+](C)CC1)C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001643310788 1071329357 /nfs/dbraw/zinc/32/93/57/1071329357.db2.gz XRARYJSDUIEXOF-UHFFFAOYSA-N 1 0 395.460 -0.745 20 0 GBADRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643333048 1071330866 /nfs/dbraw/zinc/33/08/66/1071330866.db2.gz WALORYYZXXYUAV-UHFFFAOYSA-N 1 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CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC001643397968 1071334282 /nfs/dbraw/zinc/33/42/82/1071334282.db2.gz DFWLCUQATFTSBO-MRXNPFEDSA-N 1 0 390.550 -0.157 20 0 GBADRO CNC(=O)NCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC001643403215 1071333478 /nfs/dbraw/zinc/33/34/78/1071333478.db2.gz GFSSCZYGUZGEEF-UHFFFAOYSA-N 1 0 399.517 -0.116 20 0 GBADRO C[C@@H]1CN(CCO)CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC001643406721 1071333708 /nfs/dbraw/zinc/33/37/08/1071333708.db2.gz FCEBUFGTLPSWBG-CYBMUJFWSA-N 1 0 382.486 -0.779 20 0 GBADRO C[C@H]1CN(CCO)CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC001643406722 1071334092 /nfs/dbraw/zinc/33/40/92/1071334092.db2.gz FCEBUFGTLPSWBG-ZDUSSCGKSA-N 1 0 382.486 -0.779 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)C2=O ZINC001643420958 1071333545 /nfs/dbraw/zinc/33/35/45/1071333545.db2.gz AKVJKOVAAIDARA-HPGRBHQUSA-N 1 0 382.461 -0.105 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)C2=O ZINC001643420959 1071334009 /nfs/dbraw/zinc/33/40/09/1071334009.db2.gz AKVJKOVAAIDARA-NTXUUIFSSA-N 1 0 382.461 -0.105 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)C2=O ZINC001643420960 1071335161 /nfs/dbraw/zinc/33/51/61/1071335161.db2.gz AKVJKOVAAIDARA-OOWFEOPPSA-N 1 0 382.461 -0.105 20 0 GBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1)C2=O ZINC001643420961 1071334988 /nfs/dbraw/zinc/33/49/88/1071334988.db2.gz AKVJKOVAAIDARA-RYTBJUFESA-N 1 0 382.461 -0.105 20 0 GBADRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001643429658 1071334942 /nfs/dbraw/zinc/33/49/42/1071334942.db2.gz DRLARGDUTLFYHI-FPMFFAJLSA-N 1 0 399.451 -0.562 20 0 GBADRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001643429659 1071334706 /nfs/dbraw/zinc/33/47/06/1071334706.db2.gz DRLARGDUTLFYHI-KWCYVHTRSA-N 1 0 399.451 -0.562 20 0 GBADRO CN1CCN(c2cc[nH+]c(NC(=O)C3CCN(S(N)(=O)=O)CC3)c2)CC1 ZINC001643434789 1071335606 /nfs/dbraw/zinc/33/56/06/1071335606.db2.gz IJOHXEDKOSCRFZ-UHFFFAOYSA-N 1 0 382.490 -0.313 20 0 GBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435825 1071334759 /nfs/dbraw/zinc/33/47/59/1071334759.db2.gz XPTGIFSPDFUOSG-CYBMUJFWSA-N 1 0 382.490 -0.313 20 0 GBADRO CN1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC001643435826 1071335396 /nfs/dbraw/zinc/33/53/96/1071335396.db2.gz XPTGIFSPDFUOSG-ZDUSSCGKSA-N 1 0 382.490 -0.313 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001643449048 1071335090 /nfs/dbraw/zinc/33/50/90/1071335090.db2.gz AJIVUZTYAVRYFJ-GDBMZVCRSA-N 1 0 385.486 -0.942 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001643449049 1071335567 /nfs/dbraw/zinc/33/55/67/1071335567.db2.gz AJIVUZTYAVRYFJ-GOEBONIOSA-N 1 0 385.486 -0.942 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001643449050 1071335757 /nfs/dbraw/zinc/33/57/57/1071335757.db2.gz AJIVUZTYAVRYFJ-HOCLYGCPSA-N 1 0 385.486 -0.942 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001643449051 1071335044 /nfs/dbraw/zinc/33/50/44/1071335044.db2.gz AJIVUZTYAVRYFJ-ZBFHGGJFSA-N 1 0 385.486 -0.942 20 0 GBADRO CC(C)[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC(=O)N1 ZINC001643459125 1071336681 /nfs/dbraw/zinc/33/66/81/1071336681.db2.gz SWCQGSFUDRUDAP-HNNXBMFYSA-N 1 0 396.513 -0.018 20 0 GBADRO CC(C)[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC(=O)N1 ZINC001643459127 1071336867 /nfs/dbraw/zinc/33/68/67/1071336867.db2.gz SWCQGSFUDRUDAP-OAHLLOKOSA-N 1 0 396.513 -0.018 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 ZINC001643479005 1071337015 /nfs/dbraw/zinc/33/70/15/1071337015.db2.gz KLGDYOAFPKIONW-MRVPVSSYSA-N 1 0 378.838 -0.228 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 ZINC001643479006 1071337142 /nfs/dbraw/zinc/33/71/42/1071337142.db2.gz KLGDYOAFPKIONW-QMMMGPOBSA-N 1 0 378.838 -0.228 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001643480103 1071336739 /nfs/dbraw/zinc/33/67/39/1071336739.db2.gz VACOUEXEDLNFMI-GFCCVEGCSA-N 1 0 384.458 -0.709 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC001643480104 1071336449 /nfs/dbraw/zinc/33/64/49/1071336449.db2.gz VACOUEXEDLNFMI-LBPRGKRZSA-N 1 0 384.458 -0.709 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001643480446 1071336481 /nfs/dbraw/zinc/33/64/81/1071336481.db2.gz ZLTCTOZLYVSBSN-GFCCVEGCSA-N 1 0 380.449 -0.188 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC001643480447 1071336620 /nfs/dbraw/zinc/33/66/20/1071336620.db2.gz ZLTCTOZLYVSBSN-LBPRGKRZSA-N 1 0 380.449 -0.188 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CC1=O ZINC001643483563 1071336134 /nfs/dbraw/zinc/33/61/34/1071336134.db2.gz DVVPFZOVFYVGRV-FXRXJOCMSA-N 1 0 390.484 -0.075 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CC1=O ZINC001643483564 1071336586 /nfs/dbraw/zinc/33/65/86/1071336586.db2.gz DVVPFZOVFYVGRV-IIHSZXCVSA-N 1 0 390.484 -0.075 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CC1=O ZINC001643483565 1071337031 /nfs/dbraw/zinc/33/70/31/1071337031.db2.gz DVVPFZOVFYVGRV-LFEHRJTNSA-N 1 0 390.484 -0.075 20 0 GBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CC1=O ZINC001643483566 1071337723 /nfs/dbraw/zinc/33/77/23/1071337723.db2.gz DVVPFZOVFYVGRV-RRIFGTCXSA-N 1 0 390.484 -0.075 20 0 GBADRO CCn1c(=O)[nH]c2cc(C(=O)NCC[N@H+](C)CCOCCO)ccc2c1=O ZINC001643500400 1071338940 /nfs/dbraw/zinc/33/89/40/1071338940.db2.gz MNDCYXQNUXPOHX-UHFFFAOYSA-N 1 0 378.429 -0.208 20 0 GBADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001643501041 1071338644 /nfs/dbraw/zinc/33/86/44/1071338644.db2.gz BOWJZZNGRJRUAF-CYBMUJFWSA-N 1 0 386.460 -0.920 20 0 GBADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC001643501042 1071338981 /nfs/dbraw/zinc/33/89/81/1071338981.db2.gz BOWJZZNGRJRUAF-ZDUSSCGKSA-N 1 0 386.460 -0.920 20 0 GBADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001643501188 1071339545 /nfs/dbraw/zinc/33/95/45/1071339545.db2.gz FKIBZBZOZUXWKC-NEPJUHHUSA-N 1 0 380.470 -0.321 20 0 GBADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001643501189 1071338705 /nfs/dbraw/zinc/33/87/05/1071338705.db2.gz FKIBZBZOZUXWKC-NWDGAFQWSA-N 1 0 380.470 -0.321 20 0 GBADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001643501190 1071339274 /nfs/dbraw/zinc/33/92/74/1071339274.db2.gz FKIBZBZOZUXWKC-RYUDHWBXSA-N 1 0 380.470 -0.321 20 0 GBADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001643501191 1071339024 /nfs/dbraw/zinc/33/90/24/1071339024.db2.gz FKIBZBZOZUXWKC-VXGBXAGGSA-N 1 0 380.470 -0.321 20 0 GBADRO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC001643504250 1071339084 /nfs/dbraw/zinc/33/90/84/1071339084.db2.gz AEXKTOVQKHGZPW-UHFFFAOYSA-N 1 0 386.861 -0.318 20 0 GBADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001643510773 1071339170 /nfs/dbraw/zinc/33/91/70/1071339170.db2.gz QXZHIYRUXXYJHI-JTQLQIEISA-N 1 0 388.877 -0.072 20 0 GBADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001643510774 1071339497 /nfs/dbraw/zinc/33/94/97/1071339497.db2.gz QXZHIYRUXXYJHI-SNVBAGLBSA-N 1 0 388.877 -0.072 20 0 GBADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001643510966 1071338570 /nfs/dbraw/zinc/33/85/70/1071338570.db2.gz XPEZBLFKPAQGHO-GFCCVEGCSA-N 1 0 388.515 -0.127 20 0 GBADRO CC[N@@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001643510967 1071338782 /nfs/dbraw/zinc/33/87/82/1071338782.db2.gz XPEZBLFKPAQGHO-LBPRGKRZSA-N 1 0 388.515 -0.127 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=O)NCC12COC2 ZINC001643568623 1071341181 /nfs/dbraw/zinc/34/11/81/1071341181.db2.gz WGSSPKIAYVZDBU-CYBMUJFWSA-N 1 0 384.477 -0.051 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=O)NCC12COC2 ZINC001643568624 1071341518 /nfs/dbraw/zinc/34/15/18/1071341518.db2.gz WGSSPKIAYVZDBU-ZDUSSCGKSA-N 1 0 384.477 -0.051 20 0 GBADRO Cn1c(SCC(=O)NCCC[NH+](C)C)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC001643573822 1071341423 /nfs/dbraw/zinc/34/14/23/1071341423.db2.gz RQSQVPYIORGEHX-LLVKDONJSA-N 1 0 375.520 -0.123 20 0 GBADRO Cn1c(SCC(=O)NCCC[NH+](C)C)nnc1[C@H]1CCS(=O)(=O)C1 ZINC001643573823 1071341119 /nfs/dbraw/zinc/34/11/19/1071341119.db2.gz RQSQVPYIORGEHX-NSHDSACASA-N 1 0 375.520 -0.123 20 0 GBADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608026 1071342183 /nfs/dbraw/zinc/34/21/83/1071342183.db2.gz XXOBSDGGRSBWDM-DVOMOZLQSA-N 1 0 396.513 -0.033 20 0 GBADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608027 1071341998 /nfs/dbraw/zinc/34/19/98/1071341998.db2.gz XXOBSDGGRSBWDM-IOASZLSFSA-N 1 0 396.513 -0.033 20 0 GBADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608028 1071342616 /nfs/dbraw/zinc/34/26/16/1071342616.db2.gz XXOBSDGGRSBWDM-WWGRRREGSA-N 1 0 396.513 -0.033 20 0 GBADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001643608029 1071342103 /nfs/dbraw/zinc/34/21/03/1071342103.db2.gz XXOBSDGGRSBWDM-XJKCOSOUSA-N 1 0 396.513 -0.033 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC001643618223 1071341861 /nfs/dbraw/zinc/34/18/61/1071341861.db2.gz KSPYZADDQZYGTC-UHFFFAOYSA-N 1 0 379.461 -0.711 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC001643619049 1071342700 /nfs/dbraw/zinc/34/27/00/1071342700.db2.gz UWSKNBCQRGASCE-UHFFFAOYSA-N 1 0 395.485 -0.325 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001643619357 1071342563 /nfs/dbraw/zinc/34/25/63/1071342563.db2.gz ZYKAZRXUICRRHC-UHFFFAOYSA-N 1 0 384.458 -0.127 20 0 GBADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001643634608 1071342587 /nfs/dbraw/zinc/34/25/87/1071342587.db2.gz SYSVIMYMHWTGFM-GUDVDZBRSA-N 1 0 390.480 -0.067 20 0 GBADRO C[NH+](C)CCn1c2cc(C(=O)NCc3nnc4n3CCNC4=O)ccc2[nH]c1=O ZINC001643667798 1071342941 /nfs/dbraw/zinc/34/29/41/1071342941.db2.gz AITOFAKQSAXWDG-UHFFFAOYSA-N 1 0 398.427 -0.432 20 0 GBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCNC2=O ZINC001643668404 1071343410 /nfs/dbraw/zinc/34/34/10/1071343410.db2.gz JEMGUDHLFDFCRH-LLVKDONJSA-N 1 0 395.464 -0.517 20 0 GBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCNC2=O ZINC001643668413 1071343153 /nfs/dbraw/zinc/34/31/53/1071343153.db2.gz JEMGUDHLFDFCRH-NSHDSACASA-N 1 0 395.464 -0.517 20 0 GBADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(CO)COCCN3)cc21 ZINC001643701619 1071344380 /nfs/dbraw/zinc/34/43/80/1071344380.db2.gz SEZYLMXZAKNHHT-GOSISDBHSA-N 1 0 377.445 -0.616 20 0 GBADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(CO)COCCN3)cc21 ZINC001643701620 1071344474 /nfs/dbraw/zinc/34/44/74/1071344474.db2.gz SEZYLMXZAKNHHT-SFHVURJKSA-N 1 0 377.445 -0.616 20 0 GBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001643738851 1071346791 /nfs/dbraw/zinc/34/67/91/1071346791.db2.gz UBWOLJYICCKWTJ-HUUCEWRRSA-N 1 0 376.523 -0.438 20 0 GBADRO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001643777941 1071347537 /nfs/dbraw/zinc/34/75/37/1071347537.db2.gz GJIQQHCZZNABTO-KBPBESRZSA-N 1 0 378.433 -0.240 20 0 GBADRO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001643777942 1071347180 /nfs/dbraw/zinc/34/71/80/1071347180.db2.gz GJIQQHCZZNABTO-KGLIPLIRSA-N 1 0 378.433 -0.240 20 0 GBADRO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001643777943 1071347511 /nfs/dbraw/zinc/34/75/11/1071347511.db2.gz GJIQQHCZZNABTO-UONOGXRCSA-N 1 0 378.433 -0.240 20 0 GBADRO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001643777944 1071347247 /nfs/dbraw/zinc/34/72/47/1071347247.db2.gz GJIQQHCZZNABTO-ZIAGYGMSSA-N 1 0 378.433 -0.240 20 0 GBADRO COCCOCC(=O)NC1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1 ZINC001643803497 1071348285 /nfs/dbraw/zinc/34/82/85/1071348285.db2.gz PTADNELZTDVPRS-ZGUYJTEBSA-N 1 0 397.516 -0.008 20 0 GBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC001643803933 1071348099 /nfs/dbraw/zinc/34/80/99/1071348099.db2.gz XDVAHUCICFYQLZ-QWHCGFSZSA-N 1 0 386.474 -0.780 20 0 GBADRO Cn1c2sc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3CO)cc2c(=O)n(C)c1=O ZINC001643803957 1071348130 /nfs/dbraw/zinc/34/81/30/1071348130.db2.gz YGPQNVSSXVWOIP-WDEREUQCSA-N 1 0 378.454 -0.420 20 0 GBADRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643817506 1071349121 /nfs/dbraw/zinc/34/91/21/1071349121.db2.gz AFNGJBFHIRFTMO-DFBGVHRSSA-N 1 0 387.440 -0.341 20 0 GBADRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643817507 1071350693 /nfs/dbraw/zinc/35/06/93/1071350693.db2.gz AFNGJBFHIRFTMO-KCPJHIHWSA-N 1 0 387.440 -0.341 20 0 GBADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643817508 1071350289 /nfs/dbraw/zinc/35/02/89/1071350289.db2.gz AFNGJBFHIRFTMO-TUKIKUTGSA-N 1 0 387.440 -0.341 20 0 GBADRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001643817509 1071349103 /nfs/dbraw/zinc/34/91/03/1071349103.db2.gz AFNGJBFHIRFTMO-UGFHNGPFSA-N 1 0 387.440 -0.341 20 0 GBADRO NC(=O)[C@H]1C[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(N)=O ZINC001643817589 1071349085 /nfs/dbraw/zinc/34/90/85/1071349085.db2.gz CBBLTNQTSPNDPS-RYUDHWBXSA-N 1 0 388.346 -0.280 20 0 GBADRO NC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001643817590 1071350185 /nfs/dbraw/zinc/35/01/85/1071350185.db2.gz CBBLTNQTSPNDPS-TXEJJXNPSA-N 1 0 388.346 -0.280 20 0 GBADRO NC(=O)[C@@H]1C[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001643817591 1071349436 /nfs/dbraw/zinc/34/94/36/1071349436.db2.gz CBBLTNQTSPNDPS-VXGBXAGGSA-N 1 0 388.346 -0.280 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001643817897 1071350745 /nfs/dbraw/zinc/35/07/45/1071350745.db2.gz BBZHDUKONDYGCL-UHFFFAOYSA-N 1 0 384.506 -0.841 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818518 1071350331 /nfs/dbraw/zinc/35/03/31/1071350331.db2.gz SVRFHGGOJJDEHS-CYZMBNFOSA-N 1 0 380.420 -0.300 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F ZINC001643818519 1071349372 /nfs/dbraw/zinc/34/93/72/1071349372.db2.gz SVRFHGGOJJDEHS-DRZSPHRISA-N 1 0 380.420 -0.300 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818520 1071349212 /nfs/dbraw/zinc/34/92/12/1071349212.db2.gz SVRFHGGOJJDEHS-RTXFEEFZSA-N 1 0 380.420 -0.300 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC001643818522 1071349464 /nfs/dbraw/zinc/34/94/64/1071349464.db2.gz SVRFHGGOJJDEHS-WCFLWFBJSA-N 1 0 380.420 -0.300 20 0 GBADRO C[NH+](C)CCn1c2cc(C(=O)NC3(CS(C)(=O)=O)COC3)ccc2[nH]c1=O ZINC001643893330 1071352406 /nfs/dbraw/zinc/35/24/06/1071352406.db2.gz PNSWJJUYIWAMCO-UHFFFAOYSA-N 1 0 396.469 -0.153 20 0 GBADRO CC(C)(CNS(N)(=O)=O)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001643903467 1071353507 /nfs/dbraw/zinc/35/35/07/1071353507.db2.gz KNEPNBOZOSNRCP-UHFFFAOYSA-N 1 0 383.518 -0.113 20 0 GBADRO C[NH+]1CCN(Cc2ccc(C(=O)NC(C)(C)CNS(N)(=O)=O)cc2)CC1 ZINC001643903562 1071353389 /nfs/dbraw/zinc/35/33/89/1071353389.db2.gz MXVWONFXJBKQMS-UHFFFAOYSA-N 1 0 383.518 -0.265 20 0 GBADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2nnc3n2CCN(C)C3=O)CC1 ZINC001643920320 1071353926 /nfs/dbraw/zinc/35/39/26/1071353926.db2.gz IPGMGAGXGSPLDS-UHFFFAOYSA-N 1 0 377.493 -0.214 20 0 GBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920763 1071354986 /nfs/dbraw/zinc/35/49/86/1071354986.db2.gz YNDKIERLNQHWLG-KBPBESRZSA-N 1 0 386.460 -0.551 20 0 GBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920764 1071355188 /nfs/dbraw/zinc/35/51/88/1071355188.db2.gz YNDKIERLNQHWLG-KGLIPLIRSA-N 1 0 386.460 -0.551 20 0 GBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920765 1071355652 /nfs/dbraw/zinc/35/56/52/1071355652.db2.gz YNDKIERLNQHWLG-UONOGXRCSA-N 1 0 386.460 -0.551 20 0 GBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2nnc3n2CCN(C)C3=O)cn1 ZINC001643920766 1071355320 /nfs/dbraw/zinc/35/53/20/1071355320.db2.gz YNDKIERLNQHWLG-ZIAGYGMSSA-N 1 0 386.460 -0.551 20 0 GBADRO Cn1c(=O)c2ccc(C(=O)N(CCO)C3CC[NH+](C)CC3)nc2n(C)c1=O ZINC001643942547 1071356490 /nfs/dbraw/zinc/35/64/90/1071356490.db2.gz BHEAWPWCXGXVAL-UHFFFAOYSA-N 1 0 375.429 -0.839 20 0 GBADRO NC(=O)C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCS(=O)(=O)CC1 ZINC001643949085 1071357560 /nfs/dbraw/zinc/35/75/60/1071357560.db2.gz SLVXXDYFUNKARA-UHFFFAOYSA-N 1 0 387.502 -0.574 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC001643995673 1071358472 /nfs/dbraw/zinc/35/84/72/1071358472.db2.gz FWIDDCPPYGTXNB-HNNXBMFYSA-N 1 0 384.506 -0.155 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC001643995674 1071358121 /nfs/dbraw/zinc/35/81/21/1071358121.db2.gz FWIDDCPPYGTXNB-OAHLLOKOSA-N 1 0 384.506 -0.155 20 0 GBADRO C[NH+](C)CC1(O)CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001644007567 1071357926 /nfs/dbraw/zinc/35/79/26/1071357926.db2.gz RYRATUAFKWMWDB-UHFFFAOYSA-N 1 0 378.473 -0.445 20 0 GBADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)S(C)(=O)=O ZINC001644010090 1071358303 /nfs/dbraw/zinc/35/83/03/1071358303.db2.gz LVQKIJOGOXVFCQ-LSDHHAIUSA-N 1 0 379.523 -0.772 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010099 1071358658 /nfs/dbraw/zinc/35/86/58/1071358658.db2.gz MBZYVASOMLVCOC-CRAIPNDOSA-N 1 0 376.494 -0.015 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010200 1071358745 /nfs/dbraw/zinc/35/87/45/1071358745.db2.gz MBZYVASOMLVCOC-MAUKXSAKSA-N 1 0 376.494 -0.015 20 0 GBADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010201 1071357851 /nfs/dbraw/zinc/35/78/51/1071357851.db2.gz MBZYVASOMLVCOC-QAPCUYQASA-N 1 0 376.494 -0.015 20 0 GBADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001644010202 1071358422 /nfs/dbraw/zinc/35/84/22/1071358422.db2.gz MBZYVASOMLVCOC-YJBOKZPZSA-N 1 0 376.494 -0.015 20 0 GBADRO C[C@]12C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001644116863 1071361356 /nfs/dbraw/zinc/36/13/56/1071361356.db2.gz QSTVGPXCOFFMJA-KDURUIRLSA-N 1 0 388.424 -0.849 20 0 GBADRO C[C@@]12C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001644116872 1071361316 /nfs/dbraw/zinc/36/13/16/1071361316.db2.gz QSTVGPXCOFFMJA-OALUTQOASA-N 1 0 388.424 -0.849 20 0 GBADRO C[C@]12C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C[C@]1(C)C(=O)NC2=O ZINC001644116875 1071361604 /nfs/dbraw/zinc/36/16/04/1071361604.db2.gz QSTVGPXCOFFMJA-RTBURBONSA-N 1 0 388.424 -0.849 20 0 GBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001644123589 1071361396 /nfs/dbraw/zinc/36/13/96/1071361396.db2.gz JCSJORGPWVQWJD-CXAGYDPISA-N 1 0 385.486 -0.516 20 0 GBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001644123590 1071361793 /nfs/dbraw/zinc/36/17/93/1071361793.db2.gz JCSJORGPWVQWJD-DYVFJYSZSA-N 1 0 385.486 -0.516 20 0 GBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1 ZINC001644123591 1071361684 /nfs/dbraw/zinc/36/16/84/1071361684.db2.gz JCSJORGPWVQWJD-GUYCJALGSA-N 1 0 385.486 -0.516 20 0 GBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC001644123592 1071361800 /nfs/dbraw/zinc/36/18/00/1071361800.db2.gz JCSJORGPWVQWJD-SUMWQHHRSA-N 1 0 385.486 -0.516 20 0 GBADRO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001644148912 1071362765 /nfs/dbraw/zinc/36/27/65/1071362765.db2.gz NUOIWHUCXZRJFI-FPMFFAJLSA-N 1 0 385.511 -0.135 20 0 GBADRO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001644148913 1071362310 /nfs/dbraw/zinc/36/23/10/1071362310.db2.gz NUOIWHUCXZRJFI-KWCYVHTRSA-N 1 0 385.511 -0.135 20 0 GBADRO CN1CCn2ncc(C(=O)N[C@@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)c2S1(=O)=O ZINC001644150268 1071363652 /nfs/dbraw/zinc/36/36/52/1071363652.db2.gz UHVSIENKTFNNIS-CABCVRRESA-N 1 0 397.501 -0.375 20 0 GBADRO CN1CCn2ncc(C(=O)N[C@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)c2S1(=O)=O ZINC001644150272 1071363613 /nfs/dbraw/zinc/36/36/13/1071363613.db2.gz UHVSIENKTFNNIS-GJZGRUSLSA-N 1 0 397.501 -0.375 20 0 GBADRO CN1CCn2ncc(C(=O)N[C@@H]3CCC[C@H]3[NH+]3CCC(O)CC3)c2S1(=O)=O ZINC001644150273 1071363673 /nfs/dbraw/zinc/36/36/73/1071363673.db2.gz UHVSIENKTFNNIS-HUUCEWRRSA-N 1 0 397.501 -0.375 20 0 GBADRO CN1CCn2ncc(C(=O)N[C@H]3CCC[C@H]3[NH+]3CCC(O)CC3)c2S1(=O)=O ZINC001644150274 1071363312 /nfs/dbraw/zinc/36/33/12/1071363312.db2.gz UHVSIENKTFNNIS-LSDHHAIUSA-N 1 0 397.501 -0.375 20 0 GBADRO NC(=O)C1([NH2+]CCC(=O)NCC(=O)c2ccccc2)CCS(=O)(=O)CC1 ZINC001644234128 1071367649 /nfs/dbraw/zinc/36/76/49/1071367649.db2.gz GLVIAVHUPBBWJU-UHFFFAOYSA-N 1 0 381.454 -0.602 20 0 GBADRO NC(=O)C1([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CCS(=O)(=O)CC1 ZINC001644234644 1071367045 /nfs/dbraw/zinc/36/70/45/1071367045.db2.gz OAIXHYCHDFEYLJ-CYBMUJFWSA-N 1 0 381.454 -0.070 20 0 GBADRO NC(=O)C1([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CCS(=O)(=O)CC1 ZINC001644234645 1071367424 /nfs/dbraw/zinc/36/74/24/1071367424.db2.gz OAIXHYCHDFEYLJ-ZDUSSCGKSA-N 1 0 381.454 -0.070 20 0 GBADRO CCO[C@H](CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+](C)C ZINC001644324390 1071371149 /nfs/dbraw/zinc/37/11/49/1071371149.db2.gz RYFIMBGDRWWBNH-CXAGYDPISA-N 1 0 384.477 -0.315 20 0 GBADRO CCO[C@H](CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C[NH+](C)C 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ZINC001646354100 1071444899 /nfs/dbraw/zinc/44/48/99/1071444899.db2.gz NSUGXTLMNQIOKB-OAHLLOKOSA-N 1 0 388.509 -0.623 20 0 GBADRO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001646462596 1071447661 /nfs/dbraw/zinc/44/76/61/1071447661.db2.gz MQZVHZUMXNKGPZ-IBGZPJMESA-N 1 0 378.473 -0.445 20 0 GBADRO C[NH+](C)C[C@]1(O)CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001646462598 1071448233 /nfs/dbraw/zinc/44/82/33/1071448233.db2.gz MQZVHZUMXNKGPZ-LJQANCHMSA-N 1 0 378.473 -0.445 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC001646463794 1071448036 /nfs/dbraw/zinc/44/80/36/1071448036.db2.gz YSXPXCAELNIWQF-KRWDZBQOSA-N 1 0 384.502 -0.031 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001646463795 1071447981 /nfs/dbraw/zinc/44/79/81/1071447981.db2.gz YSXPXCAELNIWQF-QGZVFWFLSA-N 1 0 384.502 -0.031 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cn1C ZINC001646482231 1071447577 /nfs/dbraw/zinc/44/75/77/1071447577.db2.gz UHJHLFXWASXNLW-KBPBESRZSA-N 1 0 385.490 -0.936 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cn1C ZINC001646482233 1071447615 /nfs/dbraw/zinc/44/76/15/1071447615.db2.gz UHJHLFXWASXNLW-KGLIPLIRSA-N 1 0 385.490 -0.936 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cn1C ZINC001646482235 1071447732 /nfs/dbraw/zinc/44/77/32/1071447732.db2.gz UHJHLFXWASXNLW-UONOGXRCSA-N 1 0 385.490 -0.936 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cn1C ZINC001646482238 1071447771 /nfs/dbraw/zinc/44/77/71/1071447771.db2.gz UHJHLFXWASXNLW-ZIAGYGMSSA-N 1 0 385.490 -0.936 20 0 GBADRO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCC(=O)NCC(=O)OC)C2)ccn1 ZINC001646549168 1071449047 /nfs/dbraw/zinc/44/90/47/1071449047.db2.gz VXQGRKLHGRBLLG-AWEZNQCLSA-N 1 0 378.429 -0.036 20 0 GBADRO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCC(=O)NCC(=O)OC)C2)ccn1 ZINC001646549169 1071448832 /nfs/dbraw/zinc/44/88/32/1071448832.db2.gz VXQGRKLHGRBLLG-CQSZACIVSA-N 1 0 378.429 -0.036 20 0 GBADRO CC[N@@H+]1C[C@@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)C1 ZINC001646586152 1071449207 /nfs/dbraw/zinc/44/92/07/1071449207.db2.gz IHTOJRZVHYITLT-GFCCVEGCSA-N 1 0 376.461 -0.330 20 0 GBADRO CC[N@@H+]1C[C@H](NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)C1 ZINC001646586153 1071448930 /nfs/dbraw/zinc/44/89/30/1071448930.db2.gz IHTOJRZVHYITLT-LBPRGKRZSA-N 1 0 376.461 -0.330 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cn1C ZINC001647729123 1071450942 /nfs/dbraw/zinc/45/09/42/1071450942.db2.gz ODEHDGRZHSSMJH-AWEZNQCLSA-N 1 0 385.490 -0.624 20 0 GBADRO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cn1C ZINC001647729124 1071451071 /nfs/dbraw/zinc/45/10/71/1071451071.db2.gz ODEHDGRZHSSMJH-CQSZACIVSA-N 1 0 385.490 -0.624 20 0 GBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001647729333 1071451051 /nfs/dbraw/zinc/45/10/51/1071451051.db2.gz QJHUNAJQHVINMH-GFCCVEGCSA-N 1 0 384.458 -0.775 20 0 GBADRO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001647729334 1071451099 /nfs/dbraw/zinc/45/10/99/1071451099.db2.gz QJHUNAJQHVINMH-LBPRGKRZSA-N 1 0 384.458 -0.775 20 0 GBADRO CN1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC[N@H+](C)CC1 ZINC001647751289 1071452113 /nfs/dbraw/zinc/45/21/13/1071452113.db2.gz TUNOLPYZPIBNKF-UHFFFAOYSA-N 1 0 380.474 -0.699 20 0 GBADRO CCCOCc1ccccc1CNC(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001647751775 1071452067 /nfs/dbraw/zinc/45/20/67/1071452067.db2.gz BSRMZDVSIHWDIE-HOTGVXAUSA-N 1 0 376.457 -0.252 20 0 GBADRO CCCOCc1ccccc1CNC(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001647751776 1071451987 /nfs/dbraw/zinc/45/19/87/1071451987.db2.gz BSRMZDVSIHWDIE-HZPDHXFCSA-N 1 0 376.457 -0.252 20 0 GBADRO CCCOCc1ccccc1CNC(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001647751777 1071451774 /nfs/dbraw/zinc/45/17/74/1071451774.db2.gz BSRMZDVSIHWDIE-IYBDPMFKSA-N 1 0 376.457 -0.252 20 0 GBADRO NC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C(N)=O ZINC001647752002 1071452012 /nfs/dbraw/zinc/45/20/12/1071452012.db2.gz IPQXSUZQFVLGAV-GASCZTMLSA-N 1 0 387.440 -0.339 20 0 GBADRO NC(=O)[C@H]1C[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1C(N)=O ZINC001647752003 1071452006 /nfs/dbraw/zinc/45/20/06/1071452006.db2.gz IPQXSUZQFVLGAV-GJZGRUSLSA-N 1 0 387.440 -0.339 20 0 GBADRO NC(=O)[C@@H]1C[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C(N)=O ZINC001647752004 1071452100 /nfs/dbraw/zinc/45/21/00/1071452100.db2.gz IPQXSUZQFVLGAV-HUUCEWRRSA-N 1 0 387.440 -0.339 20 0 GBADRO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001647752222 1071451938 /nfs/dbraw/zinc/45/19/38/1071451938.db2.gz MWAHIBLAPZBORA-BNOWGMLFSA-N 1 0 392.456 -0.730 20 0 GBADRO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001647752223 1071451993 /nfs/dbraw/zinc/45/19/93/1071451993.db2.gz MWAHIBLAPZBORA-FPMFFAJLSA-N 1 0 392.456 -0.730 20 0 GBADRO COc1ccc(CCNC(=O)[C@H](C)[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001647752224 1071451882 /nfs/dbraw/zinc/45/18/82/1071451882.db2.gz MWAHIBLAPZBORA-IACUBPJLSA-N 1 0 392.456 -0.730 20 0 GBADRO COc1ccc(CCNC(=O)[C@H](C)[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1OC ZINC001647752225 1071451861 /nfs/dbraw/zinc/45/18/61/1071451861.db2.gz MWAHIBLAPZBORA-UBHSHLNASA-N 1 0 392.456 -0.730 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001647752270 1071451918 /nfs/dbraw/zinc/45/19/18/1071451918.db2.gz OFJMYZQIUAUGBG-FHSNZYRGSA-N 1 0 384.477 -0.343 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001647752271 1071451724 /nfs/dbraw/zinc/45/17/24/1071451724.db2.gz OFJMYZQIUAUGBG-JCGVRSQUSA-N 1 0 384.477 -0.343 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001647752272 1071451826 /nfs/dbraw/zinc/45/18/26/1071451826.db2.gz OFJMYZQIUAUGBG-SNUQEOBHSA-N 1 0 384.477 -0.343 20 0 GBADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001647752273 1071452052 /nfs/dbraw/zinc/45/20/52/1071452052.db2.gz OFJMYZQIUAUGBG-ZJNRKIDTSA-N 1 0 384.477 -0.343 20 0 GBADRO NC(=O)[C@H]1C[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1C(N)=O ZINC001647752442 1071451975 /nfs/dbraw/zinc/45/19/75/1071451975.db2.gz RJCFEDICJHWPAN-HOTGVXAUSA-N 1 0 391.447 -0.617 20 0 GBADRO NC(=O)[C@@H]1C[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C(N)=O ZINC001647752443 1071451951 /nfs/dbraw/zinc/45/19/51/1071451951.db2.gz RJCFEDICJHWPAN-HZPDHXFCSA-N 1 0 391.447 -0.617 20 0 GBADRO NC(=O)[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C(N)=O ZINC001647752444 1071451740 /nfs/dbraw/zinc/45/17/40/1071451740.db2.gz RJCFEDICJHWPAN-IYBDPMFKSA-N 1 0 391.447 -0.617 20 0 GBADRO COc1ccc(CNC(=O)CC[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(OC)c1 ZINC001647752464 1071452136 /nfs/dbraw/zinc/45/21/36/1071452136.db2.gz RXVHRBZNOWHQFB-KBPBESRZSA-N 1 0 378.429 -0.771 20 0 GBADRO COc1ccc(CNC(=O)CC[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c(OC)c1 ZINC001647752465 1071451813 /nfs/dbraw/zinc/45/18/13/1071451813.db2.gz RXVHRBZNOWHQFB-OKILXGFUSA-N 1 0 378.429 -0.771 20 0 GBADRO COc1ccc(CNC(=O)CC[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(OC)c1 ZINC001647752466 1071452087 /nfs/dbraw/zinc/45/20/87/1071452087.db2.gz RXVHRBZNOWHQFB-ZIAGYGMSSA-N 1 0 378.429 -0.771 20 0 GBADRO COc1c(F)cc(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1S(N)(=O)=O ZINC001647773232 1071452693 /nfs/dbraw/zinc/45/26/93/1071452693.db2.gz QCHVPIBXYRENCZ-LLVKDONJSA-N 1 0 387.433 -0.387 20 0 GBADRO COc1c(F)cc(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1S(N)(=O)=O ZINC001647773233 1071452797 /nfs/dbraw/zinc/45/27/97/1071452797.db2.gz QCHVPIBXYRENCZ-NSHDSACASA-N 1 0 387.433 -0.387 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001647775789 1071452758 /nfs/dbraw/zinc/45/27/58/1071452758.db2.gz GMEIREIEROSRBR-GXTWGEPZSA-N 1 0 383.470 -0.451 20 0 GBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC001647775790 1071453180 /nfs/dbraw/zinc/45/31/80/1071453180.db2.gz GMEIREIEROSRBR-JSGCOSHPSA-N 1 0 383.470 -0.451 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC001647775791 1071452726 /nfs/dbraw/zinc/45/27/26/1071452726.db2.gz GMEIREIEROSRBR-OCCSQVGLSA-N 1 0 383.470 -0.451 20 0 GBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001647775792 1071452952 /nfs/dbraw/zinc/45/29/52/1071452952.db2.gz GMEIREIEROSRBR-TZMCWYRMSA-N 1 0 383.470 -0.451 20 0 GBADRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001647812565 1071454620 /nfs/dbraw/zinc/45/46/20/1071454620.db2.gz BKXYXDPUJRUPIQ-CRAIPNDOSA-N 1 0 397.497 -0.663 20 0 GBADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001647812568 1071454694 /nfs/dbraw/zinc/45/46/94/1071454694.db2.gz BKXYXDPUJRUPIQ-MAUKXSAKSA-N 1 0 397.497 -0.663 20 0 GBADRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001647812571 1071454398 /nfs/dbraw/zinc/45/43/98/1071454398.db2.gz BKXYXDPUJRUPIQ-QAPCUYQASA-N 1 0 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CC(=O)NCC(=O)NCC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001651037992 1071512122 /nfs/dbraw/zinc/51/21/22/1071512122.db2.gz QILJQKKLKMHGGF-UHFFFAOYSA-N 1 0 390.484 -0.228 20 0 GBADRO COc1cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc(Cl)c1OCC(N)=O ZINC001651085311 1071513713 /nfs/dbraw/zinc/51/37/13/1071513713.db2.gz AYFLLFMHUNWXHU-HNNXBMFYSA-N 1 0 392.861 -0.148 20 0 GBADRO COc1cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc(Cl)c1OCC(N)=O ZINC001651085316 1071514024 /nfs/dbraw/zinc/51/40/24/1071514024.db2.gz AYFLLFMHUNWXHU-OAHLLOKOSA-N 1 0 392.861 -0.148 20 0 GBADRO Cn1nc2c(c1C(=O)N1CCC(CO)([NH2+]CC3CC3)CC1)CS(=O)(=O)CC2 ZINC001651117522 1071513939 /nfs/dbraw/zinc/51/39/39/1071513939.db2.gz MVGQUZUITVXGIG-UHFFFAOYSA-N 1 0 396.513 -0.142 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001651148661 1071515450 /nfs/dbraw/zinc/51/54/50/1071515450.db2.gz XQFYQZXYSDONJN-ABAIWWIYSA-N 1 0 380.470 -0.337 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1C[NH+]2CCC1CC2 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ZINC001651926256 1071531325 /nfs/dbraw/zinc/53/13/25/1071531325.db2.gz IBPOEMVOYBSFEO-SKHCZCESSA-N 1 0 388.468 -0.170 20 0 GBADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC001651926257 1071531366 /nfs/dbraw/zinc/53/13/66/1071531366.db2.gz IBPOEMVOYBSFEO-UXHZXRBQSA-N 1 0 388.468 -0.170 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001651926258 1071531255 /nfs/dbraw/zinc/53/12/55/1071531255.db2.gz IDECVAHFTIBIBD-HNNXBMFYSA-N 1 0 385.486 -0.202 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001651926259 1071531699 /nfs/dbraw/zinc/53/16/99/1071531699.db2.gz IDECVAHFTIBIBD-OAHLLOKOSA-N 1 0 385.486 -0.202 20 0 GBADRO C[N@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC001651926640 1071531856 /nfs/dbraw/zinc/53/18/56/1071531856.db2.gz WICJRNUDVMAIAM-UHFFFAOYSA-N 1 0 386.293 -0.188 20 0 GBADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)nn2)CC1 ZINC001652070046 1071534823 /nfs/dbraw/zinc/53/48/23/1071534823.db2.gz 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CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001652638447 1071542633 /nfs/dbraw/zinc/54/26/33/1071542633.db2.gz KMZJKONGQZWMHS-CQSZACIVSA-N 1 0 384.477 -0.003 20 0 GBADRO NC(=O)COC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001652658756 1071542228 /nfs/dbraw/zinc/54/22/28/1071542228.db2.gz FBUQCGROMQRJLE-UHFFFAOYSA-N 1 0 380.489 -0.186 20 0 GBADRO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652686927 1071543335 /nfs/dbraw/zinc/54/33/35/1071543335.db2.gz DUJNTIHKPPVMTR-HNNXBMFYSA-N 1 0 395.481 -0.090 20 0 GBADRO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652686928 1071543452 /nfs/dbraw/zinc/54/34/52/1071543452.db2.gz DUJNTIHKPPVMTR-OAHLLOKOSA-N 1 0 395.481 -0.090 20 0 GBADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652687308 1071543156 /nfs/dbraw/zinc/54/31/56/1071543156.db2.gz RLBFHYBGWHSRFY-HNNXBMFYSA-N 1 0 395.481 -0.090 20 0 GBADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652687309 1071543198 /nfs/dbraw/zinc/54/31/98/1071543198.db2.gz RLBFHYBGWHSRFY-OAHLLOKOSA-N 1 0 395.481 -0.090 20 0 GBADRO CC(=O)N1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC001652689207 1071543415 /nfs/dbraw/zinc/54/34/15/1071543415.db2.gz HSHQJTCIJCNSKM-AWEZNQCLSA-N 1 0 396.513 -0.065 20 0 GBADRO CC(=O)N1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC001652689212 1071543515 /nfs/dbraw/zinc/54/35/15/1071543515.db2.gz HSHQJTCIJCNSKM-CQSZACIVSA-N 1 0 396.513 -0.065 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690421 1071543542 /nfs/dbraw/zinc/54/35/42/1071543542.db2.gz FNDMVCFJLIVNPL-JTQLQIEISA-N 1 0 385.442 -0.446 20 0 GBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690422 1071543712 /nfs/dbraw/zinc/54/37/12/1071543712.db2.gz FNDMVCFJLIVNPL-SNVBAGLBSA-N 1 0 385.442 -0.446 20 0 GBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690951 1071543384 /nfs/dbraw/zinc/54/33/84/1071543384.db2.gz PYFVKLMMJREZMN-PXAZEXFGSA-N 1 0 380.445 -0.809 20 0 GBADRO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690952 1071543753 /nfs/dbraw/zinc/54/37/53/1071543753.db2.gz PYFVKLMMJREZMN-SJCJKPOMSA-N 1 0 380.445 -0.809 20 0 GBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690953 1071543395 /nfs/dbraw/zinc/54/33/95/1071543395.db2.gz PYFVKLMMJREZMN-SJKOYZFVSA-N 1 0 380.445 -0.809 20 0 GBADRO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690954 1071543673 /nfs/dbraw/zinc/54/36/73/1071543673.db2.gz PYFVKLMMJREZMN-YVEFUNNKSA-N 1 0 380.445 -0.809 20 0 GBADRO CCc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001652690991 1071543027 /nfs/dbraw/zinc/54/30/27/1071543027.db2.gz QMSGOVOLNLBMCT-LLVKDONJSA-N 1 0 387.440 -0.603 20 0 GBADRO CCc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001652690992 1071543881 /nfs/dbraw/zinc/54/38/81/1071543881.db2.gz QMSGOVOLNLBMCT-NSHDSACASA-N 1 0 387.440 -0.603 20 0 GBADRO CN1C[C@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691327 1071542983 /nfs/dbraw/zinc/54/29/83/1071542983.db2.gz YYBGFFUJAKRRBP-GXTWGEPZSA-N 1 0 382.461 -0.347 20 0 GBADRO CN1C[C@@H](C(=O)N2CC([NH2+][C@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691328 1071543241 /nfs/dbraw/zinc/54/32/41/1071543241.db2.gz YYBGFFUJAKRRBP-JSGCOSHPSA-N 1 0 382.461 -0.347 20 0 GBADRO CN1C[C@@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691329 1071543110 /nfs/dbraw/zinc/54/31/10/1071543110.db2.gz YYBGFFUJAKRRBP-OCCSQVGLSA-N 1 0 382.461 -0.347 20 0 GBADRO CN1C[C@H](C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001652691330 1071543619 /nfs/dbraw/zinc/54/36/19/1071543619.db2.gz YYBGFFUJAKRRBP-TZMCWYRMSA-N 1 0 382.461 -0.347 20 0 GBADRO NC(=O)[C@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001652895408 1071546640 /nfs/dbraw/zinc/54/66/40/1071546640.db2.gz UNTKPVHQIITYFK-CALCHBBNSA-N 1 0 376.457 -0.584 20 0 GBADRO NC(=O)[C@@H]1C[NH+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001652895409 1071546920 /nfs/dbraw/zinc/54/69/20/1071546920.db2.gz UNTKPVHQIITYFK-IAGOWNOFSA-N 1 0 376.457 -0.584 20 0 GBADRO NC(=O)[C@H]1C[NH+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1C(N)=O ZINC001652895410 1071546990 /nfs/dbraw/zinc/54/69/90/1071546990.db2.gz UNTKPVHQIITYFK-IRXDYDNUSA-N 1 0 376.457 -0.584 20 0 GBADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001652908627 1071547540 /nfs/dbraw/zinc/54/75/40/1071547540.db2.gz IFOSAMAOGQWONK-GOSISDBHSA-N 1 0 375.477 -0.173 20 0 GBADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC001652908628 1071547812 /nfs/dbraw/zinc/54/78/12/1071547812.db2.gz IFOSAMAOGQWONK-SFHVURJKSA-N 1 0 375.477 -0.173 20 0 GBADRO O=C(CN1C(=O)NC2(CC(O)C2)C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001653026415 1071550399 /nfs/dbraw/zinc/55/03/99/1071550399.db2.gz FDOWKUSHDMMYSM-UHFFFAOYSA-N 1 0 394.472 -0.417 20 0 GBADRO COC(=O)CCCN1CCC([NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)CC1 ZINC001653047288 1071550331 /nfs/dbraw/zinc/55/03/31/1071550331.db2.gz DNGHEXKAFTWRBZ-WMLDXEAASA-N 1 0 390.502 -0.030 20 0 GBADRO C[N@H+](CCS(N)(=O)=O)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001653053115 1071551115 /nfs/dbraw/zinc/55/11/15/1071551115.db2.gz XFZZJMFOWAIPHS-CYBMUJFWSA-N 1 0 392.522 -0.030 20 0 GBADRO C[N@H+](CCS(N)(=O)=O)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC001653053121 1071551526 /nfs/dbraw/zinc/55/15/26/1071551526.db2.gz XFZZJMFOWAIPHS-ZDUSSCGKSA-N 1 0 392.522 -0.030 20 0 GBADRO CC(=O)N1CCC(NC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC001653061674 1071551553 /nfs/dbraw/zinc/55/15/53/1071551553.db2.gz ZCKAVBFPHHWZPQ-UHFFFAOYSA-N 1 0 382.505 -0.727 20 0 GBADRO CCOC(=O)Cn1cc(C[NH2+]CCN2CCNC2=O)c(-c2cnn(C)c2)n1 ZINC001653114946 1071552538 /nfs/dbraw/zinc/55/25/38/1071552538.db2.gz WFYJPKRMZLILEQ-UHFFFAOYSA-N 1 0 375.433 -0.039 20 0 GBADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)C1CCN(S(C)(=O)=O)CC1 ZINC001653120892 1071552656 /nfs/dbraw/zinc/55/26/56/1071552656.db2.gz PKQXUSKJTLZDFZ-LLVKDONJSA-N 1 0 389.565 -0.307 20 0 GBADRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)C1CCN(S(C)(=O)=O)CC1 ZINC001653120893 1071552518 /nfs/dbraw/zinc/55/25/18/1071552518.db2.gz PKQXUSKJTLZDFZ-NSHDSACASA-N 1 0 389.565 -0.307 20 0 GBADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1=O ZINC001653156878 1071552791 /nfs/dbraw/zinc/55/27/91/1071552791.db2.gz SFRNTWDXMDLQSC-GFCCVEGCSA-N 1 0 379.461 -0.637 20 0 GBADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1=O ZINC001653156879 1071552607 /nfs/dbraw/zinc/55/26/07/1071552607.db2.gz SFRNTWDXMDLQSC-LBPRGKRZSA-N 1 0 379.461 -0.637 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001653159567 1071552856 /nfs/dbraw/zinc/55/28/56/1071552856.db2.gz BSQIYGGTKNIAKY-APWZRJJASA-N 1 0 383.489 -0.675 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001653159575 1071552714 /nfs/dbraw/zinc/55/27/14/1071552714.db2.gz BSQIYGGTKNIAKY-LPHOPBHVSA-N 1 0 383.489 -0.675 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001653159576 1071552875 /nfs/dbraw/zinc/55/28/75/1071552875.db2.gz BSQIYGGTKNIAKY-QFBILLFUSA-N 1 0 383.489 -0.675 20 0 GBADRO NC(=O)C1CCN(C(=O)C2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001653159577 1071552574 /nfs/dbraw/zinc/55/25/74/1071552574.db2.gz BSQIYGGTKNIAKY-VQIMIIECSA-N 1 0 383.489 -0.675 20 0 GBADRO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001653169948 1071552671 /nfs/dbraw/zinc/55/26/71/1071552671.db2.gz GMIZFRXIQHEVQY-UHFFFAOYSA-N 1 0 391.472 -0.479 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001653229656 1071553712 /nfs/dbraw/zinc/55/37/12/1071553712.db2.gz HAWNUTQFJXSTNR-DOMZBBRYSA-N 1 0 394.497 -0.090 20 0 GBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001653229692 1071553439 /nfs/dbraw/zinc/55/34/39/1071553439.db2.gz HAWNUTQFJXSTNR-IUODEOHRSA-N 1 0 394.497 -0.090 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001653229693 1071553654 /nfs/dbraw/zinc/55/36/54/1071553654.db2.gz HAWNUTQFJXSTNR-SWLSCSKDSA-N 1 0 394.497 -0.090 20 0 GBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001653229694 1071553515 /nfs/dbraw/zinc/55/35/15/1071553515.db2.gz HAWNUTQFJXSTNR-WFASDCNBSA-N 1 0 394.497 -0.090 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC001653243335 1071554477 /nfs/dbraw/zinc/55/44/77/1071554477.db2.gz AWOAVSFMLAETHB-HNNXBMFYSA-N 1 0 388.534 -0.060 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)CC1 ZINC001653243336 1071554452 /nfs/dbraw/zinc/55/44/52/1071554452.db2.gz AWOAVSFMLAETHB-OAHLLOKOSA-N 1 0 388.534 -0.060 20 0 GBADRO O=C(N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)c1cccc(F)n1 ZINC001653331889 1071555125 /nfs/dbraw/zinc/55/51/25/1071555125.db2.gz ADLGBRKEALELFL-KKUMJFAQSA-N 1 0 380.420 -0.631 20 0 GBADRO O=C(N[C@@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)c1cccc(F)n1 ZINC001653331890 1071556098 /nfs/dbraw/zinc/55/60/98/1071556098.db2.gz ADLGBRKEALELFL-RRFJBIMHSA-N 1 0 380.420 -0.631 20 0 GBADRO O=C(N[C@@H](CO)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)c1cccc(F)n1 ZINC001653331891 1071555853 /nfs/dbraw/zinc/55/58/53/1071555853.db2.gz ADLGBRKEALELFL-SOUVJXGZSA-N 1 0 380.420 -0.631 20 0 GBADRO O=C(N[C@@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)c1cccc(F)n1 ZINC001653331892 1071556163 /nfs/dbraw/zinc/55/61/63/1071556163.db2.gz ADLGBRKEALELFL-ZNMIVQPWSA-N 1 0 380.420 -0.631 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001653332345 1071556127 /nfs/dbraw/zinc/55/61/27/1071556127.db2.gz FAKFAZICMOGTNY-CABCVRRESA-N 1 0 382.505 -0.147 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001653332346 1071555942 /nfs/dbraw/zinc/55/59/42/1071555942.db2.gz FAKFAZICMOGTNY-GJZGRUSLSA-N 1 0 382.505 -0.147 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001653332347 1071556046 /nfs/dbraw/zinc/55/60/46/1071556046.db2.gz FAKFAZICMOGTNY-HUUCEWRRSA-N 1 0 382.505 -0.147 20 0 GBADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001653332348 1071555890 /nfs/dbraw/zinc/55/58/90/1071555890.db2.gz FAKFAZICMOGTNY-LSDHHAIUSA-N 1 0 382.505 -0.147 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)cnc2n(C)c1=O ZINC001653333448 1071555805 /nfs/dbraw/zinc/55/58/05/1071555805.db2.gz OKGXTZPNIBOVEQ-CABCVRRESA-N 1 0 387.440 -0.697 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)cnc2n(C)c1=O ZINC001653333449 1071556004 /nfs/dbraw/zinc/55/60/04/1071556004.db2.gz OKGXTZPNIBOVEQ-GJZGRUSLSA-N 1 0 387.440 -0.697 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)cnc2n(C)c1=O ZINC001653333450 1071556030 /nfs/dbraw/zinc/55/60/30/1071556030.db2.gz OKGXTZPNIBOVEQ-HUUCEWRRSA-N 1 0 387.440 -0.697 20 0 GBADRO Cn1c(=O)c2cc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)cnc2n(C)c1=O ZINC001653333451 1071556077 /nfs/dbraw/zinc/55/60/77/1071556077.db2.gz OKGXTZPNIBOVEQ-LSDHHAIUSA-N 1 0 387.440 -0.697 20 0 GBADRO COC(=O)C1(NCC(=O)NC2CC[NH+](C(C)C)CC2)CCS(=O)(=O)CC1 ZINC001653393861 1071555992 /nfs/dbraw/zinc/55/59/92/1071555992.db2.gz HPTDAZBOWIOIAC-UHFFFAOYSA-N 1 0 389.518 -0.315 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1=O ZINC001653496550 1071559154 /nfs/dbraw/zinc/55/91/54/1071559154.db2.gz OUTFQFFIZFFJSH-NEPJUHHUSA-N 1 0 396.879 -0.059 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1=O ZINC001653496551 1071559569 /nfs/dbraw/zinc/55/95/69/1071559569.db2.gz OUTFQFFIZFFJSH-NWDGAFQWSA-N 1 0 396.879 -0.059 20 0 GBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1=O ZINC001653496552 1071559203 /nfs/dbraw/zinc/55/92/03/1071559203.db2.gz OUTFQFFIZFFJSH-RYUDHWBXSA-N 1 0 396.879 -0.059 20 0 GBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1=O ZINC001653496553 1071559448 /nfs/dbraw/zinc/55/94/48/1071559448.db2.gz OUTFQFFIZFFJSH-VXGBXAGGSA-N 1 0 396.879 -0.059 20 0 GBADRO CN(CCCNC(=O)C[NH+]1CCC(C2N=NC(=O)O2)CC1)S(C)(=O)=O ZINC001653588419 1071561958 /nfs/dbraw/zinc/56/19/58/1071561958.db2.gz HXTJLTZBHUGFOB-UHFFFAOYSA-N 1 0 375.451 -0.648 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001653598135 1071562152 /nfs/dbraw/zinc/56/21/52/1071562152.db2.gz GKMSAGAVONYSPK-KRWDZBQOSA-N 1 0 394.516 -0.047 20 0 GBADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001653598136 1071562129 /nfs/dbraw/zinc/56/21/29/1071562129.db2.gz GKMSAGAVONYSPK-QGZVFWFLSA-N 1 0 394.516 -0.047 20 0 GBADRO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)c1 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ZINC001654956043 1071587652 /nfs/dbraw/zinc/58/76/52/1071587652.db2.gz VSASHUFPWGMGFS-KRWDZBQOSA-N 1 0 382.530 -0.099 20 0 GBADRO CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001654956044 1071587618 /nfs/dbraw/zinc/58/76/18/1071587618.db2.gz VSASHUFPWGMGFS-QGZVFWFLSA-N 1 0 382.530 -0.099 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970677 1071587381 /nfs/dbraw/zinc/58/73/81/1071587381.db2.gz DAJQCLFDRWWOSZ-GXTWGEPZSA-N 1 0 382.442 -0.525 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970678 1071587604 /nfs/dbraw/zinc/58/76/04/1071587604.db2.gz DAJQCLFDRWWOSZ-JSGCOSHPSA-N 1 0 382.442 -0.525 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970679 1071587681 /nfs/dbraw/zinc/58/76/81/1071587681.db2.gz DAJQCLFDRWWOSZ-OCCSQVGLSA-N 1 0 382.442 -0.525 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001654970680 1071587702 /nfs/dbraw/zinc/58/77/02/1071587702.db2.gz DAJQCLFDRWWOSZ-TZMCWYRMSA-N 1 0 382.442 -0.525 20 0 GBADRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001654972978 1071587414 /nfs/dbraw/zinc/58/74/14/1071587414.db2.gz YSFOTOWDXUUPML-AWEZNQCLSA-N 1 0 388.534 -0.298 20 0 GBADRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC001654972981 1071587465 /nfs/dbraw/zinc/58/74/65/1071587465.db2.gz YSFOTOWDXUUPML-CQSZACIVSA-N 1 0 388.534 -0.298 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975415 1071588565 /nfs/dbraw/zinc/58/85/65/1071588565.db2.gz RKJTVCQWVPUGKA-GXTWGEPZSA-N 1 0 383.470 -0.079 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975416 1071588155 /nfs/dbraw/zinc/58/81/55/1071588155.db2.gz RKJTVCQWVPUGKA-JSGCOSHPSA-N 1 0 383.470 -0.079 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975417 1071588222 /nfs/dbraw/zinc/58/82/22/1071588222.db2.gz RKJTVCQWVPUGKA-OCCSQVGLSA-N 1 0 383.470 -0.079 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001654975418 1071588740 /nfs/dbraw/zinc/58/87/40/1071588740.db2.gz RKJTVCQWVPUGKA-TZMCWYRMSA-N 1 0 383.470 -0.079 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@@H+]([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001654975636 1071588870 /nfs/dbraw/zinc/58/88/70/1071588870.db2.gz VHGHIIHBVPLTLT-ARFHVFGLSA-N 1 0 383.470 -0.021 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001654975637 1071588507 /nfs/dbraw/zinc/58/85/07/1071588507.db2.gz VHGHIIHBVPLTLT-BZUAXINKSA-N 1 0 383.470 -0.021 20 0 GBADRO NS(=O)(=O)C[C@H]1CC[N@@H+]([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001654975638 1071588348 /nfs/dbraw/zinc/58/83/48/1071588348.db2.gz VHGHIIHBVPLTLT-HRCADAONSA-N 1 0 383.470 -0.021 20 0 GBADRO NS(=O)(=O)C[C@@H]1CC[N@@H+]([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001654975639 1071588814 /nfs/dbraw/zinc/58/88/14/1071588814.db2.gz VHGHIIHBVPLTLT-OWCLPIDISA-N 1 0 383.470 -0.021 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057100 1071589459 /nfs/dbraw/zinc/58/94/59/1071589459.db2.gz CZIBPWAAVYOGIN-BNOWGMLFSA-N 1 0 392.456 -0.431 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057101 1071589354 /nfs/dbraw/zinc/58/93/54/1071589354.db2.gz CZIBPWAAVYOGIN-FPMFFAJLSA-N 1 0 392.456 -0.431 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1OC ZINC001655057102 1071589546 /nfs/dbraw/zinc/58/95/46/1071589546.db2.gz CZIBPWAAVYOGIN-IACUBPJLSA-N 1 0 392.456 -0.431 20 0 GBADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1OC ZINC001655057103 1071589532 /nfs/dbraw/zinc/58/95/32/1071589532.db2.gz CZIBPWAAVYOGIN-UBHSHLNASA-N 1 0 392.456 -0.431 20 0 GBADRO CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001655058024 1071589476 /nfs/dbraw/zinc/58/94/76/1071589476.db2.gz YRIHKUFBZIJOIJ-HOTGVXAUSA-N 1 0 376.457 -0.176 20 0 GBADRO CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001655058025 1071589611 /nfs/dbraw/zinc/58/96/11/1071589611.db2.gz YRIHKUFBZIJOIJ-HZPDHXFCSA-N 1 0 376.457 -0.176 20 0 GBADRO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001655058026 1071589328 /nfs/dbraw/zinc/58/93/28/1071589328.db2.gz YRIHKUFBZIJOIJ-IYBDPMFKSA-N 1 0 376.457 -0.176 20 0 GBADRO NC(=O)[C@H]1C[N@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@H]1C(N)=O ZINC001655060700 1071589388 /nfs/dbraw/zinc/58/93/88/1071589388.db2.gz GCWCNPOJAINHEQ-BETUJISGSA-N 1 0 388.449 -0.133 20 0 GBADRO NC(=O)[C@@H]1C[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@H]1C(N)=O ZINC001655060702 1071589244 /nfs/dbraw/zinc/58/92/44/1071589244.db2.gz GCWCNPOJAINHEQ-CHWSQXEVSA-N 1 0 388.449 -0.133 20 0 GBADRO NC(=O)[C@H]1C[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@@H]1C(N)=O ZINC001655060703 1071589264 /nfs/dbraw/zinc/58/92/64/1071589264.db2.gz GCWCNPOJAINHEQ-STQMWFEESA-N 1 0 388.449 -0.133 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001655081733 1071589198 /nfs/dbraw/zinc/58/91/98/1071589198.db2.gz NBLMDQHIHGLBEW-AWEZNQCLSA-N 1 0 395.522 -0.144 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001655081734 1071589590 /nfs/dbraw/zinc/58/95/90/1071589590.db2.gz NBLMDQHIHGLBEW-CQSZACIVSA-N 1 0 395.522 -0.144 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001655116671 1071590095 /nfs/dbraw/zinc/59/00/95/1071590095.db2.gz OJOZUPMBUXNASL-IPYPFGDCSA-N 1 0 397.497 -0.466 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001655116672 1071590526 /nfs/dbraw/zinc/59/05/26/1071590526.db2.gz OJOZUPMBUXNASL-NFAWXSAZSA-N 1 0 397.497 -0.466 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001655116673 1071590500 /nfs/dbraw/zinc/59/05/00/1071590500.db2.gz OJOZUPMBUXNASL-UMVBOHGHSA-N 1 0 397.497 -0.466 20 0 GBADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001655116674 1071590027 /nfs/dbraw/zinc/59/00/27/1071590027.db2.gz OJOZUPMBUXNASL-VNHYZAJKSA-N 1 0 397.497 -0.466 20 0 GBADRO C[NH+](C)CC1(O)CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001655212651 1071590376 /nfs/dbraw/zinc/59/03/76/1071590376.db2.gz XXUSIMAKNJUCHN-UHFFFAOYSA-N 1 0 398.529 -0.619 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001655271505 1071591105 /nfs/dbraw/zinc/59/11/05/1071591105.db2.gz BXQRURGPQLMARL-UHFFFAOYSA-N 1 0 387.506 -0.936 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001655293585 1071592165 /nfs/dbraw/zinc/59/21/65/1071592165.db2.gz WMGWSKCRHFRLJC-CALCHBBNSA-N 1 0 394.453 -0.434 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001655293586 1071592272 /nfs/dbraw/zinc/59/22/72/1071592272.db2.gz WMGWSKCRHFRLJC-IAGOWNOFSA-N 1 0 394.453 -0.434 20 0 GBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001655293587 1071591856 /nfs/dbraw/zinc/59/18/56/1071591856.db2.gz WMGWSKCRHFRLJC-IRXDYDNUSA-N 1 0 394.453 -0.434 20 0 GBADRO CO[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@](C)(CO)C1 ZINC001655302816 1071592047 /nfs/dbraw/zinc/59/20/47/1071592047.db2.gz KKZORELHTZRGGV-PBHICJAKSA-N 1 0 385.486 -0.536 20 0 GBADRO CO[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@](C)(CO)C1 ZINC001655302817 1071592073 /nfs/dbraw/zinc/59/20/73/1071592073.db2.gz KKZORELHTZRGGV-RHSMWYFYSA-N 1 0 385.486 -0.536 20 0 GBADRO CO[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@](C)(CO)C1 ZINC001655302818 1071591876 /nfs/dbraw/zinc/59/18/76/1071591876.db2.gz KKZORELHTZRGGV-WMLDXEAASA-N 1 0 385.486 -0.536 20 0 GBADRO CO[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@](C)(CO)C1 ZINC001655302819 1071592009 /nfs/dbraw/zinc/59/20/09/1071592009.db2.gz KKZORELHTZRGGV-YOEHRIQHSA-N 1 0 385.486 -0.536 20 0 GBADRO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001655337656 1071593010 /nfs/dbraw/zinc/59/30/10/1071593010.db2.gz JDNZLTKIXXUCBF-HNNXBMFYSA-N 1 0 396.517 -0.342 20 0 GBADRO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001655337657 1071592981 /nfs/dbraw/zinc/59/29/81/1071592981.db2.gz JDNZLTKIXXUCBF-OAHLLOKOSA-N 1 0 396.517 -0.342 20 0 GBADRO NC(=O)C1([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CCS(=O)(=O)CC1 ZINC001655387024 1071593581 /nfs/dbraw/zinc/59/35/81/1071593581.db2.gz WEGJDOFWXCTIFE-GFCCVEGCSA-N 1 0 381.454 -0.070 20 0 GBADRO NC(=O)C1([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CCS(=O)(=O)CC1 ZINC001655387025 1071593443 /nfs/dbraw/zinc/59/34/43/1071593443.db2.gz WEGJDOFWXCTIFE-LBPRGKRZSA-N 1 0 381.454 -0.070 20 0 GBADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395422 1071593844 /nfs/dbraw/zinc/59/38/44/1071593844.db2.gz CRVKZUGEYFBHPZ-BIENJYKASA-N 1 0 390.440 -0.593 20 0 GBADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395423 1071593989 /nfs/dbraw/zinc/59/39/89/1071593989.db2.gz CRVKZUGEYFBHPZ-KSMMKXTCSA-N 1 0 390.440 -0.593 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC001655402928 1071593553 /nfs/dbraw/zinc/59/35/53/1071593553.db2.gz MJKGAPONGAUURH-KRWDZBQOSA-N 1 0 396.469 -0.068 20 0 GBADRO COc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC001655402929 1071593675 /nfs/dbraw/zinc/59/36/75/1071593675.db2.gz MJKGAPONGAUURH-QGZVFWFLSA-N 1 0 396.469 -0.068 20 0 GBADRO CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001655447636 1071594532 /nfs/dbraw/zinc/59/45/32/1071594532.db2.gz ROGIBYPPPDGPDI-ZDUSSCGKSA-N 1 0 399.560 -0.455 20 0 GBADRO NC(=O)C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCOCC1 ZINC001655468824 1071594296 /nfs/dbraw/zinc/59/42/96/1071594296.db2.gz CLVDIJHLNFHQNT-UHFFFAOYSA-N 1 0 395.460 -0.371 20 0 GBADRO O=C(CC[NH+]1CCC(Cc2nn[nH]n2)CC1)N1CCN(c2ncccn2)CC1 ZINC001655486048 1071595695 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395.529 -0.010 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001655527454 1071595521 /nfs/dbraw/zinc/59/55/21/1071595521.db2.gz HNLGOQKUXCVNQO-HOTGVXAUSA-N 1 0 395.529 -0.010 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001655527455 1071595781 /nfs/dbraw/zinc/59/57/81/1071595781.db2.gz HNLGOQKUXCVNQO-HZPDHXFCSA-N 1 0 395.529 -0.010 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001655527456 1071595475 /nfs/dbraw/zinc/59/54/75/1071595475.db2.gz HNLGOQKUXCVNQO-JKSUJKDBSA-N 1 0 395.529 -0.010 20 0 GBADRO CN1CCN(c2ncc(C[NH2+]C3CCN(CCS(C)(=O)=O)CC3)cn2)CC1 ZINC001655528872 1071595618 /nfs/dbraw/zinc/59/56/18/1071595618.db2.gz KWIKJSQLPGTERF-UHFFFAOYSA-N 1 0 396.561 -0.173 20 0 GBADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC001655532489 1071595576 /nfs/dbraw/zinc/59/55/76/1071595576.db2.gz FIRASGABZANDDL-UHFFFAOYSA-N 1 0 389.504 -0.601 20 0 GBADRO 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20 0 GBADRO Cc1nn(CCS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(=O)o1 ZINC001655972376 1071602571 /nfs/dbraw/zinc/60/25/71/1071602571.db2.gz ZMYQSWRAAUHNAQ-MRXNPFEDSA-N 1 0 396.469 -0.169 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC001656007770 1071603236 /nfs/dbraw/zinc/60/32/36/1071603236.db2.gz XEJOLAMWPVZFJO-UHFFFAOYSA-N 1 0 391.515 -0.001 20 0 GBADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001656147062 1071604524 /nfs/dbraw/zinc/60/45/24/1071604524.db2.gz DSXJINRIGYOCAQ-CTTWBBHYSA-N 1 0 382.461 -0.634 20 0 GBADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001656147063 1071604649 /nfs/dbraw/zinc/60/46/49/1071604649.db2.gz DSXJINRIGYOCAQ-SPJHXALWSA-N 1 0 382.461 -0.634 20 0 GBADRO NC(=O)Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)nn1 ZINC001656155814 1071604497 /nfs/dbraw/zinc/60/44/97/1071604497.db2.gz ARZKNLXKAJICKB-UHFFFAOYSA-N 1 0 386.865 -0.125 20 0 GBADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC001656274790 1071605296 /nfs/dbraw/zinc/60/52/96/1071605296.db2.gz NXMNUFMQLAKSQH-KSSFIOAISA-N 1 0 394.497 -0.420 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC1 ZINC001656344616 1071606900 /nfs/dbraw/zinc/60/69/00/1071606900.db2.gz WUFFTRDCKNCMAO-CHWSQXEVSA-N 1 0 397.563 -0.402 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCC1 ZINC001656344617 1071606873 /nfs/dbraw/zinc/60/68/73/1071606873.db2.gz WUFFTRDCKNCMAO-OLZOCXBDSA-N 1 0 397.563 -0.402 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC1 ZINC001656344618 1071606860 /nfs/dbraw/zinc/60/68/60/1071606860.db2.gz WUFFTRDCKNCMAO-QWHCGFSZSA-N 1 0 397.563 -0.402 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCC1 ZINC001656344619 1071606635 /nfs/dbraw/zinc/60/66/35/1071606635.db2.gz WUFFTRDCKNCMAO-STQMWFEESA-N 1 0 397.563 -0.402 20 0 GBADRO Cc1nnc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001656346098 1071606741 /nfs/dbraw/zinc/60/67/41/1071606741.db2.gz LRNPOYHMCBECGX-QCNOEVLYSA-N 1 0 380.474 -0.219 20 0 GBADRO CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001656346101 1071606882 /nfs/dbraw/zinc/60/68/82/1071606882.db2.gz LSIWZIPQLITAPW-RFQIPJPRSA-N 1 0 375.491 -0.672 20 0 GBADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001656346324 1071606692 /nfs/dbraw/zinc/60/66/92/1071606692.db2.gz TWUAHIMQUNNHJI-YJNKXOJESA-N 1 0 390.488 -0.029 20 0 GBADRO CCN(C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)C1CC1 ZINC001656346388 1071606857 /nfs/dbraw/zinc/60/68/57/1071606857.db2.gz VUHPVPCFYKSUKX-LQKXBSAESA-N 1 0 380.489 -0.095 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001656346447 1071606831 /nfs/dbraw/zinc/60/68/31/1071606831.db2.gz YJBJPSIWLZQNSL-REWJHTLYSA-N 1 0 376.461 -0.146 20 0 GBADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001656346467 1071606842 /nfs/dbraw/zinc/60/68/42/1071606842.db2.gz ZFIPWELNWHJJCM-XZDPQHSOSA-N 1 0 390.488 -0.626 20 0 GBADRO O=C(C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)N1CCN(c2cnccn2)CC1 ZINC001656351162 1071606852 /nfs/dbraw/zinc/60/68/52/1071606852.db2.gz JOPJTBCYOKUHMH-HNNXBMFYSA-N 1 0 388.472 -0.912 20 0 GBADRO O=C(C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)N1CCN(c2cnccn2)CC1 ZINC001656351163 1071606883 /nfs/dbraw/zinc/60/68/83/1071606883.db2.gz JOPJTBCYOKUHMH-OAHLLOKOSA-N 1 0 388.472 -0.912 20 0 GBADRO COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001656388510 1071607475 /nfs/dbraw/zinc/60/74/75/1071607475.db2.gz PYDBMYVEYOQTET-CVEARBPZSA-N 1 0 376.457 -0.279 20 0 GBADRO COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001656388511 1071607382 /nfs/dbraw/zinc/60/73/82/1071607382.db2.gz PYDBMYVEYOQTET-HOTGVXAUSA-N 1 0 376.457 -0.279 20 0 GBADRO COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001656388512 1071607362 /nfs/dbraw/zinc/60/73/62/1071607362.db2.gz PYDBMYVEYOQTET-HZPDHXFCSA-N 1 0 376.457 -0.279 20 0 GBADRO COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001656388513 1071607372 /nfs/dbraw/zinc/60/73/72/1071607372.db2.gz PYDBMYVEYOQTET-JKSUJKDBSA-N 1 0 376.457 -0.279 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CCNC(=O)C2CC2)cn1 ZINC001656405438 1071607399 /nfs/dbraw/zinc/60/73/99/1071607399.db2.gz WNVLFOKWPULDFO-LJCCNALRSA-N 1 0 387.484 -0.133 20 0 GBADRO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001656411380 1071607486 /nfs/dbraw/zinc/60/74/86/1071607486.db2.gz BABFPAXFJPNLBJ-FXUDXRNXSA-N 1 0 390.488 -0.802 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(C)(C)CS(N)(=O)=O ZINC001656447887 1071608004 /nfs/dbraw/zinc/60/80/04/1071608004.db2.gz UEMHCJAWUUYWCM-UHFFFAOYSA-N 1 0 395.551 -0.345 20 0 GBADRO C[C@](Cn1cccn1)([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC001656451174 1071608148 /nfs/dbraw/zinc/60/81/48/1071608148.db2.gz PJVAKBFHNUJSHK-GOSISDBHSA-N 1 0 386.460 -0.754 20 0 GBADRO C[C@@](Cn1cccn1)([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC001656451175 1071608085 /nfs/dbraw/zinc/60/80/85/1071608085.db2.gz PJVAKBFHNUJSHK-SFHVURJKSA-N 1 0 386.460 -0.754 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC001656472465 1071608915 /nfs/dbraw/zinc/60/89/15/1071608915.db2.gz AUZTWSCOLUJDIL-HNNXBMFYSA-N 1 0 391.515 -0.328 20 0 GBADRO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC001656472469 1071608768 /nfs/dbraw/zinc/60/87/68/1071608768.db2.gz AUZTWSCOLUJDIL-OAHLLOKOSA-N 1 0 391.515 -0.328 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001656475189 1071608955 /nfs/dbraw/zinc/60/89/55/1071608955.db2.gz JMSWYLWEJRHKHH-DLTWYDFYSA-N 1 0 389.518 -0.633 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)CC1=O ZINC001656477503 1071608902 /nfs/dbraw/zinc/60/89/02/1071608902.db2.gz HATMVOVWFCVKPG-AWEZNQCLSA-N 1 0 398.485 -0.757 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)CC1=O ZINC001656477506 1071608642 /nfs/dbraw/zinc/60/86/42/1071608642.db2.gz HATMVOVWFCVKPG-CQSZACIVSA-N 1 0 398.485 -0.757 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)C2(C(=O)OC)CCC2)CC1=O ZINC001656478303 1071608919 /nfs/dbraw/zinc/60/89/19/1071608919.db2.gz LSQFVZGKDVCKIL-CYBMUJFWSA-N 1 0 391.490 -0.819 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)C2(C(=O)OC)CCC2)CC1=O ZINC001656478304 1071608969 /nfs/dbraw/zinc/60/89/69/1071608969.db2.gz LSQFVZGKDVCKIL-ZDUSSCGKSA-N 1 0 391.490 -0.819 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cccc3nonc32)CC1=O ZINC001656480147 1071608995 /nfs/dbraw/zinc/60/89/95/1071608995.db2.gz VYJVDXWDANRUGW-GFCCVEGCSA-N 1 0 397.457 -0.320 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cccc3nonc32)CC1=O ZINC001656480151 1071608737 /nfs/dbraw/zinc/60/87/37/1071608737.db2.gz VYJVDXWDANRUGW-LBPRGKRZSA-N 1 0 397.457 -0.320 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001656484076 1071608718 /nfs/dbraw/zinc/60/87/18/1071608718.db2.gz LOHDYFRQKNCVJY-AXHMDWHKSA-N 1 0 392.500 -0.412 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001656491541 1071609307 /nfs/dbraw/zinc/60/93/07/1071609307.db2.gz JBQYIBGIQNDRES-HLPPOEQASA-N 1 0 380.489 -0.380 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001656492094 1071609526 /nfs/dbraw/zinc/60/95/26/1071609526.db2.gz YNWJUIYBPLCUND-QKPAOTATSA-N 1 0 378.477 -0.367 20 0 GBADRO C[NH+]1CCN(C2CCN(S(=O)(=O)CCCCS(N)(=O)=O)CC2)CC1 ZINC001656506991 1071609419 /nfs/dbraw/zinc/60/94/19/1071609419.db2.gz FZUQTGFDJKWNPP-UHFFFAOYSA-N 1 0 382.552 -0.903 20 0 GBADRO O=C(CC[N@H+]1C[C@H](CCO)[C@H](CO)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001656540135 1071610328 /nfs/dbraw/zinc/61/03/28/1071610328.db2.gz DFRIZVYGUSVEOF-KBPBESRZSA-N 1 0 382.461 -0.415 20 0 GBADRO O=C(CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001656540136 1071610136 /nfs/dbraw/zinc/61/01/36/1071610136.db2.gz DFRIZVYGUSVEOF-KGLIPLIRSA-N 1 0 382.461 -0.415 20 0 GBADRO O=C(CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001656540137 1071610206 /nfs/dbraw/zinc/61/02/06/1071610206.db2.gz DFRIZVYGUSVEOF-UONOGXRCSA-N 1 0 382.461 -0.415 20 0 GBADRO O=C(CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC001656540138 1071610267 /nfs/dbraw/zinc/61/02/67/1071610267.db2.gz DFRIZVYGUSVEOF-ZIAGYGMSSA-N 1 0 382.461 -0.415 20 0 GBADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001656541442 1071610214 /nfs/dbraw/zinc/61/02/14/1071610214.db2.gz WMGGVOAADOHPGF-DARAHFNDSA-N 1 0 399.513 -0.178 20 0 GBADRO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](CCO)[C@H](CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001656541444 1071610181 /nfs/dbraw/zinc/61/01/81/1071610181.db2.gz WMGGVOAADOHPGF-SDADXPQNSA-N 1 0 399.513 -0.178 20 0 GBADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001656541446 1071610104 /nfs/dbraw/zinc/61/01/04/1071610104.db2.gz WMGGVOAADOHPGF-UGQVUOCMSA-N 1 0 399.513 -0.178 20 0 GBADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CCO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC001656541448 1071610111 /nfs/dbraw/zinc/61/01/11/1071610111.db2.gz WMGGVOAADOHPGF-WMHQRMGPSA-N 1 0 399.513 -0.178 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(CCOC3=O)C2)cc1 ZINC001656568221 1071610117 /nfs/dbraw/zinc/61/01/17/1071610117.db2.gz PWBYGLANFUVJDS-KRWDZBQOSA-N 1 0 381.454 -0.368 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@]3(CCOC3=O)C2)cc1 ZINC001656568222 1071610240 /nfs/dbraw/zinc/61/02/40/1071610240.db2.gz PWBYGLANFUVJDS-QGZVFWFLSA-N 1 0 381.454 -0.368 20 0 GBADRO NC(=O)Cn1cc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)nn1 ZINC001656570608 1071610916 /nfs/dbraw/zinc/61/09/16/1071610916.db2.gz SDEPIERBYXQLIG-UHFFFAOYSA-N 1 0 385.472 -0.018 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001656570915 1071611023 /nfs/dbraw/zinc/61/10/23/1071611023.db2.gz FYNVXXNZEBIUQL-XJFOESAGSA-N 1 0 376.461 -0.065 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC001656675988 1071612344 /nfs/dbraw/zinc/61/23/44/1071612344.db2.gz PZKVXQVZQRYJKM-CYBMUJFWSA-N 1 0 376.504 -0.009 20 0 GBADRO C[C@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC001656675989 1071612265 /nfs/dbraw/zinc/61/22/65/1071612265.db2.gz PZKVXQVZQRYJKM-ZDUSSCGKSA-N 1 0 376.504 -0.009 20 0 GBADRO Cn1nccc1C1(O)CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001656724391 1071613194 /nfs/dbraw/zinc/61/31/94/1071613194.db2.gz QYISOCPITLIZAA-UHFFFAOYSA-N 1 0 385.534 -0.329 20 0 GBADRO NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC001656778072 1071613131 /nfs/dbraw/zinc/61/31/31/1071613131.db2.gz VQOPOJNJOIFLEL-NWDGAFQWSA-N 1 0 375.472 -0.836 20 0 GBADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001656778187 1071613265 /nfs/dbraw/zinc/61/32/65/1071613265.db2.gz XUKQTJMTAFKBSU-QWHCGFSZSA-N 1 0 389.499 -0.576 20 0 GBADRO CN1CCN(c2ncc(C[NH2+]Cc3ccc(C(=O)NCC(N)=O)cc3)cn2)CC1 ZINC001656798995 1071613843 /nfs/dbraw/zinc/61/38/43/1071613843.db2.gz VYROSOALCAKEQL-UHFFFAOYSA-N 1 0 397.483 -0.267 20 0 GBADRO Cc1nc(N2CCN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)CC2)n[nH]1 ZINC001656802392 1071613700 /nfs/dbraw/zinc/61/37/00/1071613700.db2.gz DLHCCKUZXWJDKL-UHFFFAOYSA-N 1 0 396.521 -0.001 20 0 GBADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2C1 ZINC001656814725 1071613777 /nfs/dbraw/zinc/61/37/77/1071613777.db2.gz WBDCCMMVKPDUQO-LXTVHRRPSA-N 1 0 381.502 -0.157 20 0 GBADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2C1 ZINC001656822148 1071614569 /nfs/dbraw/zinc/61/45/69/1071614569.db2.gz KPGFQFTZJRMQTH-YNLUIRMOSA-N 1 0 383.514 -0.261 20 0 GBADRO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001656823122 1071614334 /nfs/dbraw/zinc/61/43/34/1071614334.db2.gz WZIREBOOWPTQTL-QXSJWSMHSA-N 1 0 380.489 -0.284 20 0 GBADRO CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1)C1CC1 ZINC001656832788 1071614452 /nfs/dbraw/zinc/61/44/52/1071614452.db2.gz IRDOOMRCJJGAMM-YQFWSFKMSA-N 1 0 392.500 -0.190 20 0 GBADRO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1 ZINC001656832974 1071614613 /nfs/dbraw/zinc/61/46/13/1071614613.db2.gz LCUWMVQYNXMUJY-BARDWOONSA-N 1 0 393.488 -0.486 20 0 GBADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@H]2C1 ZINC001656833394 1071614710 /nfs/dbraw/zinc/61/47/10/1071614710.db2.gz PNSIJGUQBGHSNG-SYAUCNOPSA-N 1 0 388.472 -0.241 20 0 GBADRO CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001656833440 1071614364 /nfs/dbraw/zinc/61/43/64/1071614364.db2.gz QRQUSMRTNJLHCL-CBBWQLFWSA-N 1 0 387.502 -0.766 20 0 GBADRO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)CC1 ZINC001656833599 1071614350 /nfs/dbraw/zinc/61/43/50/1071614350.db2.gz UZDMJONXOBGTMY-BARDWOONSA-N 1 0 383.514 -0.287 20 0 GBADRO CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC([NH2+]C3CCOCC3)C2)cn1C ZINC001656905628 1071615593 /nfs/dbraw/zinc/61/55/93/1071615593.db2.gz CPKUKEZVOSGPMD-UHFFFAOYSA-N 1 0 399.469 -0.088 20 0 GBADRO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001656906097 1071615454 /nfs/dbraw/zinc/61/54/54/1071615454.db2.gz YWPKQGCRTFWRNO-GFCCVEGCSA-N 1 0 381.520 -0.950 20 0 GBADRO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC([NH2+]C3CCOCC3)C2)C1 ZINC001656906098 1071615277 /nfs/dbraw/zinc/61/52/77/1071615277.db2.gz YWPKQGCRTFWRNO-LBPRGKRZSA-N 1 0 381.520 -0.950 20 0 GBADRO CNC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC001656954095 1071616131 /nfs/dbraw/zinc/61/61/31/1071616131.db2.gz XWWOESOCMMJFTH-AWEZNQCLSA-N 1 0 397.505 -0.580 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](CC[NH+](C)C)C3)cnc21 ZINC001656956261 1071616211 /nfs/dbraw/zinc/61/62/11/1071616211.db2.gz CNURHPCSGCZIFU-LLVKDONJSA-N 1 0 381.458 -0.004 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](CC[NH+](C)C)C3)cnc21 ZINC001656956262 1071616293 /nfs/dbraw/zinc/61/62/93/1071616293.db2.gz CNURHPCSGCZIFU-NSHDSACASA-N 1 0 381.458 -0.004 20 0 GBADRO CNC(=O)C1(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CCOCC1 ZINC001656982627 1071617759 /nfs/dbraw/zinc/61/77/59/1071617759.db2.gz FVKTVWQGSQHLKW-UHFFFAOYSA-N 1 0 387.506 -0.365 20 0 GBADRO COCCCNC(=O)C1CC[NH+](CC(=O)NC2CCN(C(C)=O)CC2)CC1 ZINC001657041771 1071618425 /nfs/dbraw/zinc/61/84/25/1071618425.db2.gz LHXPDUWIVCASFM-UHFFFAOYSA-N 1 0 382.505 -0.022 20 0 GBADRO COc1cc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC001657064494 1071619259 /nfs/dbraw/zinc/61/92/59/1071619259.db2.gz NAHCHFFSRSXQHO-JTQLQIEISA-N 1 0 380.850 -0.292 20 0 GBADRO COc1cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC001657064501 1071619213 /nfs/dbraw/zinc/61/92/13/1071619213.db2.gz NAHCHFFSRSXQHO-SNVBAGLBSA-N 1 0 380.850 -0.292 20 0 GBADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001657104905 1071619141 /nfs/dbraw/zinc/61/91/41/1071619141.db2.gz LJWKMCKZPOACJR-UHFFFAOYSA-N 1 0 375.516 -0.067 20 0 GBADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC001657141002 1071619889 /nfs/dbraw/zinc/61/98/89/1071619889.db2.gz BOSRZQIIEBGMQC-UHFFFAOYSA-N 1 0 382.533 -0.938 20 0 GBADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001657163019 1071619765 /nfs/dbraw/zinc/61/97/65/1071619765.db2.gz DINBVUZSLXBXPJ-UHFFFAOYSA-N 1 0 384.911 -0.091 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+]C2(CO)CCOCC2)cc1 ZINC001657182127 1071619790 /nfs/dbraw/zinc/61/97/90/1071619790.db2.gz SIHYVZHVAZLTNB-UHFFFAOYSA-N 1 0 385.486 -0.486 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001657210693 1071620403 /nfs/dbraw/zinc/62/04/03/1071620403.db2.gz DDUWPDULUOKOIK-UHFFFAOYSA-N 1 0 388.515 -0.656 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)C2)CC1 ZINC001657211108 1071620409 /nfs/dbraw/zinc/62/04/09/1071620409.db2.gz KIYCBWLXQAZILE-UHFFFAOYSA-N 1 0 382.486 -0.196 20 0 GBADRO NC(=O)Cn1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC001657271479 1071622586 /nfs/dbraw/zinc/62/25/86/1071622586.db2.gz QLDBMPXVGHCNLS-UHFFFAOYSA-N 1 0 385.472 -0.121 20 0 GBADRO CC[NH+]1CCC(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001657314989 1071622475 /nfs/dbraw/zinc/62/24/75/1071622475.db2.gz IMIBLTIXTKWFEU-INIZCTEOSA-N 1 0 393.575 -0.147 20 0 GBADRO CC[NH+]1CCC(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001657314990 1071622487 /nfs/dbraw/zinc/62/24/87/1071622487.db2.gz IMIBLTIXTKWFEU-MRXNPFEDSA-N 1 0 393.575 -0.147 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001657348897 1071623012 /nfs/dbraw/zinc/62/30/12/1071623012.db2.gz XBHIABYYBCYVPQ-INIZCTEOSA-N 1 0 397.505 -0.519 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001657348898 1071622932 /nfs/dbraw/zinc/62/29/32/1071622932.db2.gz XBHIABYYBCYVPQ-MRXNPFEDSA-N 1 0 397.505 -0.519 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001657362679 1071623025 /nfs/dbraw/zinc/62/30/25/1071623025.db2.gz VDOHAKKTRGLEBY-UHFFFAOYSA-N 1 0 397.563 -0.432 20 0 GBADRO Cn1cc(C(=O)NCC2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)cn1 ZINC001657384824 1071623760 /nfs/dbraw/zinc/62/37/60/1071623760.db2.gz JDGKRYJJMLOTAW-UHFFFAOYSA-N 1 0 384.502 -0.198 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC34CC[NH+](C)CC4)cnc21 ZINC001657386028 1071623716 /nfs/dbraw/zinc/62/37/16/1071623716.db2.gz LRUDEEKPDHCLMC-UHFFFAOYSA-N 1 0 379.442 -0.107 20 0 GBADRO CN(C)S(=O)(=O)CCS(=O)(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001657397428 1071623676 /nfs/dbraw/zinc/62/36/76/1071623676.db2.gz HBMYJFFXXYQNAQ-UHFFFAOYSA-N 1 0 376.504 -0.139 20 0 GBADRO C[N@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527235 1071625043 /nfs/dbraw/zinc/62/50/43/1071625043.db2.gz SQCJPJHMYQDIMY-CEXWTWQISA-N 1 0 393.484 -0.007 20 0 GBADRO C[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527236 1071625128 /nfs/dbraw/zinc/62/51/28/1071625128.db2.gz SQCJPJHMYQDIMY-GBESFXJTSA-N 1 0 393.484 -0.007 20 0 GBADRO C[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527237 1071625143 /nfs/dbraw/zinc/62/51/43/1071625143.db2.gz SQCJPJHMYQDIMY-GUDVDZBRSA-N 1 0 393.484 -0.007 20 0 GBADRO C[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001657527238 1071625218 /nfs/dbraw/zinc/62/52/18/1071625218.db2.gz SQCJPJHMYQDIMY-IPMKNSEASA-N 1 0 393.484 -0.007 20 0 GBADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001657706779 1071625159 /nfs/dbraw/zinc/62/51/59/1071625159.db2.gz JCBIHOCUSBMPQC-DOTOQJQBSA-N 1 0 391.534 -0.233 20 0 GBADRO O=S(=O)(c1ccc(N2CC[NH+](C[C@H](O)C3CC3)CC2)nc1)N1CCOCC1 ZINC001657732744 1071625794 /nfs/dbraw/zinc/62/57/94/1071625794.db2.gz KZTJSXGYUUISFB-KRWDZBQOSA-N 1 0 396.513 -0.005 20 0 GBADRO O=S(=O)(c1ccc(N2CC[NH+](C[C@@H](O)C3CC3)CC2)nc1)N1CCOCC1 ZINC001657732745 1071625914 /nfs/dbraw/zinc/62/59/14/1071625914.db2.gz KZTJSXGYUUISFB-QGZVFWFLSA-N 1 0 396.513 -0.005 20 0 GBADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)C1 ZINC001657735346 1071625757 /nfs/dbraw/zinc/62/57/57/1071625757.db2.gz HMOBDGVCBZNBHD-CABCVRRESA-N 1 0 384.454 -0.119 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)[C@@H](N2CCOCC2)C1 ZINC001657735347 1071625836 /nfs/dbraw/zinc/62/58/36/1071625836.db2.gz HMOBDGVCBZNBHD-GJZGRUSLSA-N 1 0 384.454 -0.119 20 0 GBADRO O=S1(=O)C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)[C@H](N2CCOCC2)C1 ZINC001657735348 1071625703 /nfs/dbraw/zinc/62/57/03/1071625703.db2.gz HMOBDGVCBZNBHD-HUUCEWRRSA-N 1 0 384.454 -0.119 20 0 GBADRO O=S1(=O)C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)[C@H](N2CCOCC2)C1 ZINC001657735349 1071625788 /nfs/dbraw/zinc/62/57/88/1071625788.db2.gz HMOBDGVCBZNBHD-LSDHHAIUSA-N 1 0 384.454 -0.119 20 0 GBADRO CC(=O)N1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001657881006 1071625816 /nfs/dbraw/zinc/62/58/16/1071625816.db2.gz UGZXYESMLTUIPD-KRWDZBQOSA-N 1 0 379.505 -0.472 20 0 GBADRO CC(=O)N1CCC(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC001657881192 1071625809 /nfs/dbraw/zinc/62/58/09/1071625809.db2.gz UGZXYESMLTUIPD-QGZVFWFLSA-N 1 0 379.505 -0.472 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)CCC1 ZINC001658075126 1071626633 /nfs/dbraw/zinc/62/66/33/1071626633.db2.gz PAGCGMPOAYCTHT-CYBMUJFWSA-N 1 0 397.563 -0.259 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)CCC1 ZINC001658075128 1071626666 /nfs/dbraw/zinc/62/66/66/1071626666.db2.gz PAGCGMPOAYCTHT-ZDUSSCGKSA-N 1 0 397.563 -0.259 20 0 GBADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1Br ZINC001658098210 1071626668 /nfs/dbraw/zinc/62/66/68/1071626668.db2.gz AFPYTPWSNBNWBC-JTQLQIEISA-N 1 0 390.263 -0.161 20 0 GBADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1Br ZINC001658098212 1071626577 /nfs/dbraw/zinc/62/65/77/1071626577.db2.gz AFPYTPWSNBNWBC-SNVBAGLBSA-N 1 0 390.263 -0.161 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cnc2n(C)c1=O ZINC001658275942 1071626565 /nfs/dbraw/zinc/62/65/65/1071626565.db2.gz PCXJFAXZIBYKGC-NSHDSACASA-N 1 0 390.444 -0.401 20 0 GBADRO Cn1c(=O)c2cc(NC(=O)NCCN3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC001658276278 1071626626 /nfs/dbraw/zinc/62/66/26/1071626626.db2.gz XAHYVTSPBQELSR-UHFFFAOYSA-N 1 0 375.433 -0.999 20 0 GBADRO C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373947 1071626551 /nfs/dbraw/zinc/62/65/51/1071626551.db2.gz VZKPLEORGGJZRP-HNNXBMFYSA-N 1 0 398.529 -0.619 20 0 GBADRO C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCN1CCO ZINC001658373948 1071626438 /nfs/dbraw/zinc/62/64/38/1071626438.db2.gz VZKPLEORGGJZRP-OAHLLOKOSA-N 1 0 398.529 -0.619 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC001658484491 1071626432 /nfs/dbraw/zinc/62/64/32/1071626432.db2.gz JIPMDWINBHNGPK-KRWDZBQOSA-N 1 0 399.513 -0.240 20 0 GBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC001658484492 1071626404 /nfs/dbraw/zinc/62/64/04/1071626404.db2.gz JIPMDWINBHNGPK-QGZVFWFLSA-N 1 0 399.513 -0.240 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488108 1071626619 /nfs/dbraw/zinc/62/66/19/1071626619.db2.gz IQZCZWPOFASVGQ-APXRDBCWSA-N 1 0 397.472 -0.104 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488109 1071626524 /nfs/dbraw/zinc/62/65/24/1071626524.db2.gz IQZCZWPOFASVGQ-KWUTWHQWSA-N 1 0 397.472 -0.104 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488110 1071627102 /nfs/dbraw/zinc/62/71/02/1071627102.db2.gz IQZCZWPOFASVGQ-RWNCWCDWSA-N 1 0 397.472 -0.104 20 0 GBADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001658488111 1071627112 /nfs/dbraw/zinc/62/71/12/1071627112.db2.gz IQZCZWPOFASVGQ-URSRKNFFSA-N 1 0 397.472 -0.104 20 0 GBADRO CC(C)[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001658501053 1071627387 /nfs/dbraw/zinc/62/73/87/1071627387.db2.gz WBYATMHJOPQONP-INIZCTEOSA-N 1 0 398.533 -0.312 20 0 GBADRO CC(C)[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001658501054 1071627333 /nfs/dbraw/zinc/62/73/33/1071627333.db2.gz WBYATMHJOPQONP-MRXNPFEDSA-N 1 0 398.533 -0.312 20 0 GBADRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC001658520358 1071627138 /nfs/dbraw/zinc/62/71/38/1071627138.db2.gz HJKXEZMKEDMHPF-UHFFFAOYSA-N 1 0 389.503 -0.306 20 0 GBADRO COc1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)ccc1OCC(=O)N1CCOCC1 ZINC001658616995 1071627150 /nfs/dbraw/zinc/62/71/50/1071627150.db2.gz FMSKSJYHXUHONA-MUJYYYPQSA-N 1 0 380.441 -0.093 20 0 GBADRO COc1cc(C[NH2+]C[C@@]2(CO)COCCN2C)cc(OC)c1OCC(N)=O ZINC001658617628 1071627477 /nfs/dbraw/zinc/62/74/77/1071627477.db2.gz VJGVPTRXAQCCJQ-GOSISDBHSA-N 1 0 383.445 -0.649 20 0 GBADRO COc1cc(C[NH2+]C[C@]2(CO)COCCN2C)cc(OC)c1OCC(N)=O ZINC001658617629 1071627093 /nfs/dbraw/zinc/62/70/93/1071627093.db2.gz VJGVPTRXAQCCJQ-SFHVURJKSA-N 1 0 383.445 -0.649 20 0 GBADRO COC[C@]1(CO)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658677330 1071627427 /nfs/dbraw/zinc/62/74/27/1071627427.db2.gz XXAGWONXKNHPBL-GOSISDBHSA-N 1 0 399.513 -0.286 20 0 GBADRO COC[C@@]1(CO)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658677332 1071627120 /nfs/dbraw/zinc/62/71/20/1071627120.db2.gz XXAGWONXKNHPBL-SFHVURJKSA-N 1 0 399.513 -0.286 20 0 GBADRO CN(C)S(=O)(=O)n1ccnc1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001658802699 1071628158 /nfs/dbraw/zinc/62/81/58/1071628158.db2.gz VHJRBVLNFWVRIU-UHFFFAOYSA-N 1 0 398.533 -0.157 20 0 GBADRO COC(=O)[C@@]1(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C[C@@H]1S(C)(=O)=O ZINC001658835167 1071628197 /nfs/dbraw/zinc/62/81/97/1071628197.db2.gz BRUZJZLRNJHRFS-XHDPSFHLSA-N 1 0 396.531 -0.197 20 0 GBADRO CC[NH+]1CCC(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001658879271 1071627848 /nfs/dbraw/zinc/62/78/48/1071627848.db2.gz KOFGWYXXBSDGTE-KRWDZBQOSA-N 1 0 386.562 -0.361 20 0 GBADRO CC[NH+]1CCC(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001658879272 1071628203 /nfs/dbraw/zinc/62/82/03/1071628203.db2.gz KOFGWYXXBSDGTE-QGZVFWFLSA-N 1 0 386.562 -0.361 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@H](N4CCCC4=O)CC3)c2c(=O)n(C)c1=O ZINC001658989225 1071628934 /nfs/dbraw/zinc/62/89/34/1071628934.db2.gz KWUYXKHRJMBDOC-AWEZNQCLSA-N 1 0 388.472 -0.089 20 0 GBADRO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)c2c(=O)n(C)c1=O ZINC001658989226 1071628905 /nfs/dbraw/zinc/62/89/05/1071628905.db2.gz KWUYXKHRJMBDOC-CQSZACIVSA-N 1 0 388.472 -0.089 20 0 GBADRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001658989573 1071628594 /nfs/dbraw/zinc/62/85/94/1071628594.db2.gz SOEDTYCHWRCDGV-CYBMUJFWSA-N 1 0 380.470 -0.367 20 0 GBADRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001658989574 1071628762 /nfs/dbraw/zinc/62/87/62/1071628762.db2.gz SOEDTYCHWRCDGV-ZDUSSCGKSA-N 1 0 380.470 -0.367 20 0 GBADRO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cn1 ZINC001659011928 1071628918 /nfs/dbraw/zinc/62/89/18/1071628918.db2.gz ICVFTZWRVJSPJK-JKSUJKDBSA-N 1 0 377.470 -0.101 20 0 GBADRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001659067712 1071628938 /nfs/dbraw/zinc/62/89/38/1071628938.db2.gz FPLFSZFYWBXTCZ-AWEZNQCLSA-N 1 0 376.413 -0.132 20 0 GBADRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001659067713 1071628813 /nfs/dbraw/zinc/62/88/13/1071628813.db2.gz FPLFSZFYWBXTCZ-CQSZACIVSA-N 1 0 376.413 -0.132 20 0 GBADRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001659076275 1071628871 /nfs/dbraw/zinc/62/88/71/1071628871.db2.gz FDVQNFJISCNEND-AWEZNQCLSA-N 1 0 382.486 -0.549 20 0 GBADRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001659076276 1071628776 /nfs/dbraw/zinc/62/87/76/1071628776.db2.gz FDVQNFJISCNEND-CQSZACIVSA-N 1 0 382.486 -0.549 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)C[C@H](O)C1(O)CCOCC1 ZINC001659116521 1071629682 /nfs/dbraw/zinc/62/96/82/1071629682.db2.gz INODZXOKPTZIGA-KBPBESRZSA-N 1 0 378.466 -0.931 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)C[C@H](O)C1(O)CCOCC1 ZINC001659116523 1071629515 /nfs/dbraw/zinc/62/95/15/1071629515.db2.gz INODZXOKPTZIGA-KGLIPLIRSA-N 1 0 378.466 -0.931 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)C1(O)CCOCC1)C[C@H](O)CO ZINC001659116524 1071629472 /nfs/dbraw/zinc/62/94/72/1071629472.db2.gz INODZXOKPTZIGA-UONOGXRCSA-N 1 0 378.466 -0.931 20 0 GBADRO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)C[C@@H](O)C1(O)CCOCC1 ZINC001659116526 1071629462 /nfs/dbraw/zinc/62/94/62/1071629462.db2.gz INODZXOKPTZIGA-ZIAGYGMSSA-N 1 0 378.466 -0.931 20 0 GBADRO CCc1ncc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)n1S(=O)(=O)N(C)C ZINC001659169421 1071629529 /nfs/dbraw/zinc/62/95/29/1071629529.db2.gz YTLGLPQAQOLCDQ-UHFFFAOYSA-N 1 0 398.489 -0.290 20 0 GBADRO CN(C)C(=O)Cn1cnc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)n1 ZINC001659242178 1071629653 /nfs/dbraw/zinc/62/96/53/1071629653.db2.gz QZAHCLQBSVMLHA-UHFFFAOYSA-N 1 0 378.481 -0.390 20 0 GBADRO C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)N1CCO ZINC001659366218 1071630988 /nfs/dbraw/zinc/63/09/88/1071630988.db2.gz JBVWFUGCCCUTAT-GASCZTMLSA-N 1 0 394.476 -0.339 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH+]3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)C2)C1 ZINC001659417449 1071631030 /nfs/dbraw/zinc/63/10/30/1071631030.db2.gz NUEZAVWSKHCWBJ-FGBSKUFISA-N 1 0 396.488 -0.079 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)C2)C1 ZINC001659417450 1071631114 /nfs/dbraw/zinc/63/11/14/1071631114.db2.gz NUEZAVWSKHCWBJ-VYGYDYRJSA-N 1 0 396.488 -0.079 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)C2)C1 ZINC001659417451 1071631130 /nfs/dbraw/zinc/63/11/30/1071631130.db2.gz NUEZAVWSKHCWBJ-WFTHSTBKSA-N 1 0 396.488 -0.079 20 0 GBADRO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)C2)C1 ZINC001659417452 1071631156 /nfs/dbraw/zinc/63/11/56/1071631156.db2.gz NUEZAVWSKHCWBJ-WZFJYNIESA-N 1 0 396.488 -0.079 20 0 GBADRO NC(=O)[C@@H]1C[NH+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1C(N)=O ZINC001659417578 1071631041 /nfs/dbraw/zinc/63/10/41/1071631041.db2.gz QNGWSNKQABKQRN-GHMZBOCLSA-N 1 0 375.454 -0.526 20 0 GBADRO NC(=O)[C@H]1C[NH+](CC(=O)NCCc2nc3ccccc3s2)C[C@@H]1C(N)=O ZINC001659417580 1071631939 /nfs/dbraw/zinc/63/19/39/1071631939.db2.gz QNGWSNKQABKQRN-QWRGUYRKSA-N 1 0 375.454 -0.526 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001659417655 1071631882 /nfs/dbraw/zinc/63/18/82/1071631882.db2.gz SQNLWGCVUQFTDZ-AAVRWANBSA-N 1 0 390.440 -0.808 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001659417656 1071631618 /nfs/dbraw/zinc/63/16/18/1071631618.db2.gz SQNLWGCVUQFTDZ-MQYQWHSLSA-N 1 0 390.440 -0.808 20 0 GBADRO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001659417657 1071631753 /nfs/dbraw/zinc/63/17/53/1071631753.db2.gz SQNLWGCVUQFTDZ-RQJABVFESA-N 1 0 390.440 -0.808 20 0 GBADRO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001659417658 1071631895 /nfs/dbraw/zinc/63/18/95/1071631895.db2.gz SQNLWGCVUQFTDZ-SYQHCUMBSA-N 1 0 390.440 -0.808 20 0 GBADRO CC(C)OCc1cccc(CNC(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 ZINC001659417665 1071631825 /nfs/dbraw/zinc/63/18/25/1071631825.db2.gz SXIULVXHSRZVFA-HOTGVXAUSA-N 1 0 376.457 -0.254 20 0 GBADRO CC(C)OCc1cccc(CNC(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001659417666 1071631865 /nfs/dbraw/zinc/63/18/65/1071631865.db2.gz SXIULVXHSRZVFA-HZPDHXFCSA-N 1 0 376.457 -0.254 20 0 GBADRO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001659417667 1071631928 /nfs/dbraw/zinc/63/19/28/1071631928.db2.gz SXIULVXHSRZVFA-IYBDPMFKSA-N 1 0 376.457 -0.254 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC[N@H+](C)C1 ZINC001659445675 1071631951 /nfs/dbraw/zinc/63/19/51/1071631951.db2.gz YWQAXPVIHIGRNI-GFCCVEGCSA-N 1 0 378.433 -0.270 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC[N@H+](C)C1 ZINC001659445676 1071631908 /nfs/dbraw/zinc/63/19/08/1071631908.db2.gz YWQAXPVIHIGRNI-LBPRGKRZSA-N 1 0 378.433 -0.270 20 0 GBADRO NC(=O)c1cn(C2CC[NH+](CC(=O)N3CCC4(CC3)OCCO4)CC2)nn1 ZINC001659453149 1071631817 /nfs/dbraw/zinc/63/18/17/1071631817.db2.gz BSKLMBHIWGUTKZ-UHFFFAOYSA-N 1 0 378.433 -0.621 20 0 GBADRO C[C@@H](CNC(=O)Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC001659501499 1071632573 /nfs/dbraw/zinc/63/25/73/1071632573.db2.gz ZODIFKPBIDCFAC-INIZCTEOSA-N 1 0 379.509 -0.027 20 0 GBADRO C[C@H](CNC(=O)Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC001659501500 1071632882 /nfs/dbraw/zinc/63/28/82/1071632882.db2.gz ZODIFKPBIDCFAC-MRXNPFEDSA-N 1 0 379.509 -0.027 20 0 GBADRO Cn1cnnc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001659522497 1071632540 /nfs/dbraw/zinc/63/25/40/1071632540.db2.gz PGXWIXJYYCLNOB-UHFFFAOYSA-N 1 0 384.506 -0.182 20 0 GBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001659526237 1071632476 /nfs/dbraw/zinc/63/24/76/1071632476.db2.gz ZWKFNOASAPVYNG-LLVKDONJSA-N 1 0 383.474 -0.011 20 0 GBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001659526239 1071632490 /nfs/dbraw/zinc/63/24/90/1071632490.db2.gz ZWKFNOASAPVYNG-NSHDSACASA-N 1 0 383.474 -0.011 20 0 GBADRO NC(=O)NC(=O)CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001659567976 1071633275 /nfs/dbraw/zinc/63/32/75/1071633275.db2.gz VOMPPERXZIWRAA-UHFFFAOYSA-N 1 0 383.474 -0.833 20 0 GBADRO C[NH+](C)CC1(O)CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001659619166 1071634194 /nfs/dbraw/zinc/63/41/94/1071634194.db2.gz OJZOHMKXAFANAV-UHFFFAOYSA-N 1 0 396.513 -0.388 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)CN2CC[NH+](CCCCCO)CC2)CC1 ZINC001659622760 1071634210 /nfs/dbraw/zinc/63/42/10/1071634210.db2.gz BLHIBSKEHPCACX-UHFFFAOYSA-N 1 0 390.550 -0.693 20 0 GBADRO O=C(C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001659675337 1071633955 /nfs/dbraw/zinc/63/39/55/1071633955.db2.gz LYDRGSYEMURXMG-HOCLYGCPSA-N 1 0 393.465 -0.376 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cn1 ZINC001659676921 1071634229 /nfs/dbraw/zinc/63/42/29/1071634229.db2.gz DNPKXMPUAABWRN-CYBMUJFWSA-N 1 0 396.448 -0.786 20 0 GBADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cn1 ZINC001659676925 1071634112 /nfs/dbraw/zinc/63/41/12/1071634112.db2.gz DNPKXMPUAABWRN-ZDUSSCGKSA-N 1 0 396.448 -0.786 20 0 GBADRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001659789428 1071635649 /nfs/dbraw/zinc/63/56/49/1071635649.db2.gz MNLFMJJGSKVASY-GFCCVEGCSA-N 1 0 377.449 -0.783 20 0 GBADRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001659789437 1071635364 /nfs/dbraw/zinc/63/53/64/1071635364.db2.gz MNLFMJJGSKVASY-LBPRGKRZSA-N 1 0 377.449 -0.783 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CCN2CCOC2=O)CC1 ZINC001659849826 1071636283 /nfs/dbraw/zinc/63/62/83/1071636283.db2.gz KXNYJQZKFBGQKV-UHFFFAOYSA-N 1 0 383.474 -0.295 20 0 GBADRO Cc1nc2sccn2c(=O)c1CC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001659868908 1071636333 /nfs/dbraw/zinc/63/63/33/1071636333.db2.gz SNGLIBKYLFYIHU-UHFFFAOYSA-N 1 0 384.483 -0.371 20 0 GBADRO COC(=O)c1ncccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001659906281 1071636970 /nfs/dbraw/zinc/63/69/70/1071636970.db2.gz YIUINVVDMHXERS-GFCCVEGCSA-N 1 0 384.458 -0.266 20 0 GBADRO COC(=O)c1ncccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001659906282 1071637124 /nfs/dbraw/zinc/63/71/24/1071637124.db2.gz YIUINVVDMHXERS-LBPRGKRZSA-N 1 0 384.458 -0.266 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC001659935356 1071637280 /nfs/dbraw/zinc/63/72/80/1071637280.db2.gz NQPATXKYCPGVDR-UHFFFAOYSA-N 1 0 389.499 -0.052 20 0 GBADRO COC1(OC)CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1O ZINC001659950384 1071637029 /nfs/dbraw/zinc/63/70/29/1071637029.db2.gz FGESBENXZRPIPX-CYBMUJFWSA-N 1 0 398.460 -0.282 20 0 GBADRO COC1(OC)CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC001659950385 1071637231 /nfs/dbraw/zinc/63/72/31/1071637231.db2.gz FGESBENXZRPIPX-ZDUSSCGKSA-N 1 0 398.460 -0.282 20 0 GBADRO NC(=O)C[N@H+](C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC001659982644 1071637947 /nfs/dbraw/zinc/63/79/47/1071637947.db2.gz NIWPRQFKRNIFLW-HNNXBMFYSA-N 1 0 376.413 -0.170 20 0 GBADRO NC(=O)C[N@H+](C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCOCC1 ZINC001659982649 1071638059 /nfs/dbraw/zinc/63/80/59/1071638059.db2.gz NIWPRQFKRNIFLW-OAHLLOKOSA-N 1 0 376.413 -0.170 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC001659991784 1071637982 /nfs/dbraw/zinc/63/79/82/1071637982.db2.gz SIBABLOPRWRMLY-AWEZNQCLSA-N 1 0 383.478 -0.578 20 0 GBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC001659991790 1071637811 /nfs/dbraw/zinc/63/78/11/1071637811.db2.gz SIBABLOPRWRMLY-CQSZACIVSA-N 1 0 383.478 -0.578 20 0 GBADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001660002667 1071638153 /nfs/dbraw/zinc/63/81/53/1071638153.db2.gz LUEONDLVUMDFQJ-HNNXBMFYSA-N 1 0 382.486 -0.503 20 0 GBADRO CC1(C)CNC(=O)[C@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001660002668 1071637817 /nfs/dbraw/zinc/63/78/17/1071637817.db2.gz LUEONDLVUMDFQJ-OAHLLOKOSA-N 1 0 382.486 -0.503 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC001660004652 1071637776 /nfs/dbraw/zinc/63/77/76/1071637776.db2.gz YYARCGSQQHYQCL-AWEZNQCLSA-N 1 0 386.460 -0.874 20 0 GBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC001660004655 1071637930 /nfs/dbraw/zinc/63/79/30/1071637930.db2.gz YYARCGSQQHYQCL-CQSZACIVSA-N 1 0 386.460 -0.874 20 0 GBADRO Cn1ccn2c(CC[NH2+]CC3(S(=O)(=O)NC(C)(C)C)CC3)nnc2c1=O ZINC001660021544 1071638007 /nfs/dbraw/zinc/63/80/07/1071638007.db2.gz MEGMTHJJPGMXTD-UHFFFAOYSA-N 1 0 382.490 -0.189 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001660058523 1071638964 /nfs/dbraw/zinc/63/89/64/1071638964.db2.gz CWMCAFIDGHBWED-CABCVRRESA-N 1 0 396.517 -0.615 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001660058525 1071638937 /nfs/dbraw/zinc/63/89/37/1071638937.db2.gz CWMCAFIDGHBWED-GJZGRUSLSA-N 1 0 396.517 -0.615 20 0 GBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001660058526 1071638986 /nfs/dbraw/zinc/63/89/86/1071638986.db2.gz CWMCAFIDGHBWED-HUUCEWRRSA-N 1 0 396.517 -0.615 20 0 GBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001660058527 1071638712 /nfs/dbraw/zinc/63/87/12/1071638712.db2.gz CWMCAFIDGHBWED-LSDHHAIUSA-N 1 0 396.517 -0.615 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCOC2CCOCC2)CC1 ZINC001660092049 1071638924 /nfs/dbraw/zinc/63/89/24/1071638924.db2.gz UNFWPAAPIZVPOK-UHFFFAOYSA-N 1 0 391.534 -0.002 20 0 GBADRO CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CCC[NH+](C)C)c1 ZINC001660124994 1071639690 /nfs/dbraw/zinc/63/96/90/1071639690.db2.gz NHFDDGATYOMUBH-UHFFFAOYSA-N 1 0 392.503 -0.596 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)c2)C1 ZINC001660152335 1071639513 /nfs/dbraw/zinc/63/95/13/1071639513.db2.gz SXIOCPZGOYTRKL-BRWVUGGUSA-N 1 0 397.497 -0.437 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)c2)C1 ZINC001660152336 1071639632 /nfs/dbraw/zinc/63/96/32/1071639632.db2.gz SXIOCPZGOYTRKL-GVDBMIGSSA-N 1 0 397.497 -0.437 20 0 GBADRO Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC(=O)NC2CC[NH+](C)CC2)cn1 ZINC001660170519 1071639416 /nfs/dbraw/zinc/63/94/16/1071639416.db2.gz JDQWFGAEIAOTCB-INIZCTEOSA-N 1 0 383.518 -0.208 20 0 GBADRO Cn1cc([C@H]2CS(=O)(=O)CCCN2CC(=O)NC2CC[NH+](C)CC2)cn1 ZINC001660170531 1071640391 /nfs/dbraw/zinc/64/03/91/1071640391.db2.gz JDQWFGAEIAOTCB-MRXNPFEDSA-N 1 0 383.518 -0.208 20 0 GBADRO 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CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(COCCO)CC2)CC1 ZINC001660230186 1071640414 /nfs/dbraw/zinc/64/04/14/1071640414.db2.gz NFFCVEWODJEXKH-HNNXBMFYSA-N 1 0 387.477 -0.489 20 0 GBADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(COCCO)CC2)CC1 ZINC001660230187 1071640523 /nfs/dbraw/zinc/64/05/23/1071640523.db2.gz NFFCVEWODJEXKH-OAHLLOKOSA-N 1 0 387.477 -0.489 20 0 GBADRO O=C(CC[NH+]1CCC(O)(COCCO)CC1)N1CCN(c2ncccn2)CC1 ZINC001660230595 1071640243 /nfs/dbraw/zinc/64/02/43/1071640243.db2.gz WYKOMBSCZISDGO-UHFFFAOYSA-N 1 0 393.488 -0.649 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC001660230766 1071640334 /nfs/dbraw/zinc/64/03/34/1071640334.db2.gz APFNNSHHIGYMOE-CVEARBPZSA-N 1 0 393.575 -0.147 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC001660230767 1071640286 /nfs/dbraw/zinc/64/02/86/1071640286.db2.gz APFNNSHHIGYMOE-HOTGVXAUSA-N 1 0 393.575 -0.147 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 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388.490 -0.168 20 0 GBADRO Cc1nn(CCS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(=O)o1 ZINC001660890149 1071647662 /nfs/dbraw/zinc/64/76/62/1071647662.db2.gz CWGGBRUMOQFWNB-LSDHHAIUSA-N 1 0 388.490 -0.168 20 0 GBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(=O)[nH]c1=O ZINC001660891007 1071647614 /nfs/dbraw/zinc/64/76/14/1071647614.db2.gz RRAREGUURVLYFN-CHWSQXEVSA-N 1 0 386.474 -0.468 20 0 GBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(=O)[nH]c1=O ZINC001660891008 1071647750 /nfs/dbraw/zinc/64/77/50/1071647750.db2.gz RRAREGUURVLYFN-OLZOCXBDSA-N 1 0 386.474 -0.468 20 0 GBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(=O)[nH]c1=O ZINC001660891009 1071647900 /nfs/dbraw/zinc/64/79/00/1071647900.db2.gz RRAREGUURVLYFN-QWHCGFSZSA-N 1 0 386.474 -0.468 20 0 GBADRO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(=O)[nH]c1=O ZINC001660891010 1071647942 /nfs/dbraw/zinc/64/79/42/1071647942.db2.gz RRAREGUURVLYFN-STQMWFEESA-N 1 0 386.474 -0.468 20 0 GBADRO 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395.469 -0.134 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001662285184 1071667912 /nfs/dbraw/zinc/66/79/12/1071667912.db2.gz IKDPBNRRDGKXHH-UHFFFAOYSA-N 1 0 379.465 -0.353 20 0 GBADRO COC(=O)[C@@]1(CNC(=O)Nc2ccnn2CC[NH+](C)C)C[C@@H]1S(C)(=O)=O ZINC001662285707 1071667979 /nfs/dbraw/zinc/66/79/79/1071667979.db2.gz WRADMPHUZNOOTK-XHDPSFHLSA-N 1 0 387.462 -0.458 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001662287975 1071668007 /nfs/dbraw/zinc/66/80/07/1071668007.db2.gz JNRCXMRENNLUCE-AYMQEEERSA-N 1 0 382.505 -0.073 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001662287976 1071667830 /nfs/dbraw/zinc/66/78/30/1071667830.db2.gz JNRCXMRENNLUCE-XJIUQZFPSA-N 1 0 382.505 -0.073 20 0 GBADRO O=C1NCCOc2ccc(S(=O)(=O)NCCC[NH+]3CCC(O)CC3)cc21 ZINC001662349147 1071668584 /nfs/dbraw/zinc/66/85/84/1071668584.db2.gz JWYLCRKAPPPYBI-UHFFFAOYSA-N 1 0 383.470 -0.066 20 0 GBADRO 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CCNC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1OC ZINC001662465702 1071669961 /nfs/dbraw/zinc/66/99/61/1071669961.db2.gz FYZVYYAAJFOBNV-KRWDZBQOSA-N 1 0 386.470 -0.151 20 0 GBADRO CCNC(=O)COc1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1OC ZINC001662465703 1071670067 /nfs/dbraw/zinc/67/00/67/1071670067.db2.gz FYZVYYAAJFOBNV-QGZVFWFLSA-N 1 0 386.470 -0.151 20 0 GBADRO C[NH+](C)CCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001662504206 1071670717 /nfs/dbraw/zinc/67/07/17/1071670717.db2.gz IBOVBSSVOQCHHZ-UHFFFAOYSA-N 1 0 380.492 -0.597 20 0 GBADRO COC(=O)[C@@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001662507559 1071670644 /nfs/dbraw/zinc/67/06/44/1071670644.db2.gz YJQPTXQODLEIEP-AWEZNQCLSA-N 1 0 377.507 -0.489 20 0 GBADRO COC(=O)[C@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001662507560 1071670770 /nfs/dbraw/zinc/67/07/70/1071670770.db2.gz YJQPTXQODLEIEP-CQSZACIVSA-N 1 0 377.507 -0.489 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC001662515585 1071671645 /nfs/dbraw/zinc/67/16/45/1071671645.db2.gz CAKKHTIGIUEVHX-IAGOWNOFSA-N 1 0 397.497 -0.437 20 0 GBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCN2CCOC2=O)CC1 ZINC001662524487 1071671559 /nfs/dbraw/zinc/67/15/59/1071671559.db2.gz ZURYVBIYSSTNGB-UHFFFAOYSA-N 1 0 377.463 -0.367 20 0 GBADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001662539755 1071672419 /nfs/dbraw/zinc/67/24/19/1071672419.db2.gz RQJWQQFHPMFFPW-HSZRJFAPSA-N 1 0 379.508 -0.069 20 0 GBADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001662539756 1071672084 /nfs/dbraw/zinc/67/20/84/1071672084.db2.gz RQJWQQFHPMFFPW-QHCPKHFHSA-N 1 0 379.508 -0.069 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001662665611 1071672873 /nfs/dbraw/zinc/67/28/73/1071672873.db2.gz WBDAFHNJRSWZJH-LDDOYCOJSA-N 1 0 379.457 -0.375 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001662665612 1071672931 /nfs/dbraw/zinc/67/29/31/1071672931.db2.gz WBDAFHNJRSWZJH-YRBFXIGRSA-N 1 0 379.457 -0.375 20 0 GBADRO CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001662665683 1071672979 /nfs/dbraw/zinc/67/29/79/1071672979.db2.gz XBFRETLUDYUMPD-CBBWQLFWSA-N 1 0 375.491 -0.975 20 0 GBADRO CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001662665684 1071673034 /nfs/dbraw/zinc/67/30/34/1071673034.db2.gz XBFRETLUDYUMPD-ZQDZILKHSA-N 1 0 375.491 -0.975 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC001662793831 1071674497 /nfs/dbraw/zinc/67/44/97/1071674497.db2.gz KMHXRCYXIKSPMB-UHFFFAOYSA-N 1 0 387.506 -0.287 20 0 GBADRO C[NH+]1CCN(CCNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC001662809927 1071675247 /nfs/dbraw/zinc/67/52/47/1071675247.db2.gz DYDVIRGGHJTODP-UHFFFAOYSA-N 1 0 375.516 -0.243 20 0 GBADRO COCCc1noc(CN(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)n1 ZINC001662817025 1071675045 /nfs/dbraw/zinc/67/50/45/1071675045.db2.gz IGEOFJNRMGLRHO-UHFFFAOYSA-N 1 0 375.495 -0.342 20 0 GBADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CCCCS(N)(=O)=O)CC1 ZINC001662853861 1071675809 /nfs/dbraw/zinc/67/58/09/1071675809.db2.gz SEFNRVYREREPKI-UHFFFAOYSA-N 1 0 384.568 -0.609 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc(N)nc1 ZINC001662881761 1071675921 /nfs/dbraw/zinc/67/59/21/1071675921.db2.gz NMJBZQOLUNUFDM-HNNXBMFYSA-N 1 0 392.485 -0.374 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001662902288 1071676578 /nfs/dbraw/zinc/67/65/78/1071676578.db2.gz PFEVSRPYLBPDHU-CABCVRRESA-N 1 0 381.564 -0.243 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001662902289 1071676564 /nfs/dbraw/zinc/67/65/64/1071676564.db2.gz PFEVSRPYLBPDHU-GJZGRUSLSA-N 1 0 381.564 -0.243 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001662902290 1071676652 /nfs/dbraw/zinc/67/66/52/1071676652.db2.gz PFEVSRPYLBPDHU-HUUCEWRRSA-N 1 0 381.564 -0.243 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001662902291 1071676492 /nfs/dbraw/zinc/67/64/92/1071676492.db2.gz PFEVSRPYLBPDHU-LSDHHAIUSA-N 1 0 381.564 -0.243 20 0 GBADRO CS[C@@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC001662948579 1071676478 /nfs/dbraw/zinc/67/64/78/1071676478.db2.gz NMYKAXREOVFKRR-CHWSQXEVSA-N 1 0 385.577 -0.104 20 0 GBADRO CS[C@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC001662948580 1071676617 /nfs/dbraw/zinc/67/66/17/1071676617.db2.gz NMYKAXREOVFKRR-OLZOCXBDSA-N 1 0 385.577 -0.104 20 0 GBADRO CS[C@@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC001662948581 1071676786 /nfs/dbraw/zinc/67/67/86/1071676786.db2.gz NMYKAXREOVFKRR-QWHCGFSZSA-N 1 0 385.577 -0.104 20 0 GBADRO CS[C@H]1CN(S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC001662948582 1071676518 /nfs/dbraw/zinc/67/65/18/1071676518.db2.gz NMYKAXREOVFKRR-STQMWFEESA-N 1 0 385.577 -0.104 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001662988265 1071677349 /nfs/dbraw/zinc/67/73/49/1071677349.db2.gz NHMFDIFSGZOOQQ-HNNXBMFYSA-N 1 0 380.511 -0.314 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001662988266 1071677499 /nfs/dbraw/zinc/67/74/99/1071677499.db2.gz NHMFDIFSGZOOQQ-OAHLLOKOSA-N 1 0 380.511 -0.314 20 0 GBADRO CC(C)C[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001663035753 1071678105 /nfs/dbraw/zinc/67/81/05/1071678105.db2.gz VKLKGVLUDCPPFM-CVEARBPZSA-N 1 0 389.566 -0.355 20 0 GBADRO CC(C)C[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001663035754 1071678187 /nfs/dbraw/zinc/67/81/87/1071678187.db2.gz VKLKGVLUDCPPFM-HOTGVXAUSA-N 1 0 389.566 -0.355 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001663108305 1071678856 /nfs/dbraw/zinc/67/88/56/1071678856.db2.gz AANWGSXBACNJEI-AWEZNQCLSA-N 1 0 397.563 -0.577 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001663108306 1071678692 /nfs/dbraw/zinc/67/86/92/1071678692.db2.gz AANWGSXBACNJEI-CQSZACIVSA-N 1 0 397.563 -0.577 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001663109785 1071678764 /nfs/dbraw/zinc/67/87/64/1071678764.db2.gz SLSYVPZLHWNLHQ-UHFFFAOYSA-N 1 0 383.536 -0.968 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001663110076 1071678612 /nfs/dbraw/zinc/67/86/12/1071678612.db2.gz XBXWQVGQUHVOGX-AWEZNQCLSA-N 1 0 382.548 -0.034 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001663110088 1071678794 /nfs/dbraw/zinc/67/87/94/1071678794.db2.gz XBXWQVGQUHVOGX-CQSZACIVSA-N 1 0 382.548 -0.034 20 0 GBADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC001663110157 1071678723 /nfs/dbraw/zinc/67/87/23/1071678723.db2.gz YEXLCYAPUQOMDO-UHFFFAOYSA-N 1 0 391.515 -0.152 20 0 GBADRO CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC001663117187 1071678844 /nfs/dbraw/zinc/67/88/44/1071678844.db2.gz IBFPEXQDWUTFFL-AWEZNQCLSA-N 1 0 391.490 -0.818 20 0 GBADRO CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC001663117188 1071678706 /nfs/dbraw/zinc/67/87/06/1071678706.db2.gz IBFPEXQDWUTFFL-CQSZACIVSA-N 1 0 391.490 -0.818 20 0 GBADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001663131128 1071679452 /nfs/dbraw/zinc/67/94/52/1071679452.db2.gz SRRROUGCJJTZJU-UHFFFAOYSA-N 1 0 399.535 -0.928 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC)nn2)CC1 ZINC001663133126 1071679497 /nfs/dbraw/zinc/67/94/97/1071679497.db2.gz CVYSWIDRLDRQHM-UHFFFAOYSA-N 1 0 377.449 -0.146 20 0 GBADRO CNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC001663133259 1071679399 /nfs/dbraw/zinc/67/93/99/1071679399.db2.gz DTWYKYVKALBCRS-CYBMUJFWSA-N 1 0 377.449 -0.100 20 0 GBADRO CNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC001663133260 1071679429 /nfs/dbraw/zinc/67/94/29/1071679429.db2.gz DTWYKYVKALBCRS-ZDUSSCGKSA-N 1 0 377.449 -0.100 20 0 GBADRO NC(=O)c1cn(C2CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)nn1 ZINC001663151737 1071680227 /nfs/dbraw/zinc/68/02/27/1071680227.db2.gz ZTZTZJIKLLQDIY-INIZCTEOSA-N 1 0 382.490 -0.170 20 0 GBADRO CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCCCN2CCC[C@H]2C(N)=O)C1 ZINC001663198064 1071680099 /nfs/dbraw/zinc/68/00/99/1071680099.db2.gz NKOWEHPMJQIVEB-ZDUSSCGKSA-N 1 0 390.506 -0.135 20 0 GBADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)CCCCS(N)(=O)=O ZINC001663332236 1071682255 /nfs/dbraw/zinc/68/22/55/1071682255.db2.gz FDLZIBUNDRSMEL-AWEZNQCLSA-N 1 0 397.563 -0.040 20 0 GBADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)CCCCS(N)(=O)=O ZINC001663332237 1071682413 /nfs/dbraw/zinc/68/24/13/1071682413.db2.gz FDLZIBUNDRSMEL-CQSZACIVSA-N 1 0 397.563 -0.040 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC001663421164 1071683646 /nfs/dbraw/zinc/68/36/46/1071683646.db2.gz RSFAMTRHESRRBN-UHFFFAOYSA-N 1 0 397.563 -0.863 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 ZINC001663486132 1071685179 /nfs/dbraw/zinc/68/51/79/1071685179.db2.gz WRPMBVFFDJEHSI-AWEZNQCLSA-N 1 0 380.474 -0.039 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 ZINC001663486133 1071685771 /nfs/dbraw/zinc/68/57/71/1071685771.db2.gz WRPMBVFFDJEHSI-CQSZACIVSA-N 1 0 380.474 -0.039 20 0 GBADRO CC[N@H+](CCO)CCNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001663535783 1071685879 /nfs/dbraw/zinc/68/58/79/1071685879.db2.gz LSLWNKPIAUHVJM-UHFFFAOYSA-N 1 0 380.511 -0.312 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001663564017 1071686774 /nfs/dbraw/zinc/68/67/74/1071686774.db2.gz SOUQRSOFVWTLFR-CALCHBBNSA-N 1 0 397.501 -0.265 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001663564018 1071686633 /nfs/dbraw/zinc/68/66/33/1071686633.db2.gz SOUQRSOFVWTLFR-IAGOWNOFSA-N 1 0 397.501 -0.265 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001663564019 1071686727 /nfs/dbraw/zinc/68/67/27/1071686727.db2.gz SOUQRSOFVWTLFR-IRXDYDNUSA-N 1 0 397.501 -0.265 20 0 GBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)CC1=O ZINC001663687187 1071688161 /nfs/dbraw/zinc/68/81/61/1071688161.db2.gz FRVVAPLCNSNBLK-JTQLQIEISA-N 1 0 379.870 -0.480 20 0 GBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2c[nH]nc2Cl)CC1=O ZINC001663687188 1071688071 /nfs/dbraw/zinc/68/80/71/1071688071.db2.gz FRVVAPLCNSNBLK-SNVBAGLBSA-N 1 0 379.870 -0.480 20 0 GBADRO O=C(NCC[N@@H+](C[C@@H](O)CN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001663756913 1071690106 /nfs/dbraw/zinc/69/01/06/1071690106.db2.gz LZBWTMMRIAOZBO-FPCVCCKLSA-N 1 0 379.457 -0.356 20 0 GBADRO O=C(NCC[N@@H+](C[C@H](O)CN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001663756914 1071690056 /nfs/dbraw/zinc/69/00/56/1071690056.db2.gz LZBWTMMRIAOZBO-JJXSEGSLSA-N 1 0 379.457 -0.356 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001663835301 1071692278 /nfs/dbraw/zinc/69/22/78/1071692278.db2.gz YFVKMMFTSOUKMU-JOCQHMNTSA-N 1 0 378.520 -0.085 20 0 GBADRO C[NH+]1CCC(CNS(=O)(=O)c2cccc(C(N)=O)c2)(N2CCOCC2)CC1 ZINC001663862193 1071692810 /nfs/dbraw/zinc/69/28/10/1071692810.db2.gz XIQOJKGULHIHIR-UHFFFAOYSA-N 1 0 396.513 -0.140 20 0 GBADRO COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC001663921427 1071694479 /nfs/dbraw/zinc/69/44/79/1071694479.db2.gz OIVDBNAHVZYRLN-CYBMUJFWSA-N 1 0 377.463 -0.893 20 0 GBADRO COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC001663921428 1071694147 /nfs/dbraw/zinc/69/41/47/1071694147.db2.gz OIVDBNAHVZYRLN-ZDUSSCGKSA-N 1 0 377.463 -0.893 20 0 GBADRO Cn1ncnc1C1(O)CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001663955988 1071694968 /nfs/dbraw/zinc/69/49/68/1071694968.db2.gz AFHOQRHARJTETQ-UHFFFAOYSA-N 1 0 386.522 -0.934 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(=O)[nH]c1=O ZINC001663961485 1071694814 /nfs/dbraw/zinc/69/48/14/1071694814.db2.gz VFJQSMRHRSOVNN-UHFFFAOYSA-N 1 0 386.474 -0.391 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001663973815 1071695576 /nfs/dbraw/zinc/69/55/76/1071695576.db2.gz PHGUXMUTPSQFEX-HNNXBMFYSA-N 1 0 384.506 -0.323 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001663973816 1071695839 /nfs/dbraw/zinc/69/58/39/1071695839.db2.gz PHGUXMUTPSQFEX-OAHLLOKOSA-N 1 0 384.506 -0.323 20 0 GBADRO CN(CC[NH2+]CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664081166 1071697900 /nfs/dbraw/zinc/69/79/00/1071697900.db2.gz DHXJFZFCQLTXAS-HLUFSKSISA-N 1 0 399.513 -0.897 20 0 GBADRO CN(CC[NH2+]CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664081167 1071697698 /nfs/dbraw/zinc/69/76/98/1071697698.db2.gz DHXJFZFCQLTXAS-UZVBGSJOSA-N 1 0 399.513 -0.897 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001664081569 1071697797 /nfs/dbraw/zinc/69/77/97/1071697797.db2.gz LUFZZGVTBXHWFX-XYJFISCASA-N 1 0 380.489 -0.460 20 0 GBADRO CN(CC[NH2+]CC(=O)NC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664082011 1071697857 /nfs/dbraw/zinc/69/78/57/1071697857.db2.gz ZXMZMUNYYCVSJP-HLUFSKSISA-N 1 0 399.513 -0.991 20 0 GBADRO CN(CC[NH2+]CC(=O)NC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664082012 1071698612 /nfs/dbraw/zinc/69/86/12/1071698612.db2.gz ZXMZMUNYYCVSJP-UZVBGSJOSA-N 1 0 399.513 -0.991 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC([NH2+]C4CCOCC4)C3)cnc21 ZINC001664162504 1071700374 /nfs/dbraw/zinc/70/03/74/1071700374.db2.gz RWVQQXDUXKMTLN-UHFFFAOYSA-N 1 0 395.441 -0.824 20 0 GBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)CCC[NH+](C)C ZINC001664193227 1071700976 /nfs/dbraw/zinc/70/09/76/1071700976.db2.gz OHYIQIREHANQEN-UHFFFAOYSA-N 1 0 379.504 -0.074 20 0 GBADRO COC(=O)C1(CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC001664193323 1071701321 /nfs/dbraw/zinc/70/13/21/1071701321.db2.gz RKHQWIHORJNUTM-UHFFFAOYSA-N 1 0 375.491 -0.149 20 0 GBADRO COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)n[nH]1 ZINC001664193535 1071701209 /nfs/dbraw/zinc/70/12/09/1071701209.db2.gz ZFEQXPAYOPAZHO-UHFFFAOYSA-N 1 0 387.462 -0.533 20 0 GBADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC001664207640 1071700858 /nfs/dbraw/zinc/70/08/58/1071700858.db2.gz ADZVZVHCFFWRDO-UHFFFAOYSA-N 1 0 390.425 -0.026 20 0 GBADRO C[NH+](C)CCN1CCN(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC001664225453 1071701156 /nfs/dbraw/zinc/70/11/56/1071701156.db2.gz HKPHKCZDQCYVMK-UHFFFAOYSA-N 1 0 390.506 -0.359 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC001664322874 1071703208 /nfs/dbraw/zinc/70/32/08/1071703208.db2.gz PJLCUOFRYKKQJX-APPDUMDISA-N 1 0 396.469 -0.020 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC001664322875 1071703149 /nfs/dbraw/zinc/70/31/49/1071703149.db2.gz PJLCUOFRYKKQJX-DIFFPNOSSA-N 1 0 396.469 -0.020 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC001664322876 1071703240 /nfs/dbraw/zinc/70/32/40/1071703240.db2.gz PJLCUOFRYKKQJX-GTNSWQLSSA-N 1 0 396.469 -0.020 20 0 GBADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[C@@]1(C)NC(=O)NC1=O ZINC001664322977 1071703215 /nfs/dbraw/zinc/70/32/15/1071703215.db2.gz PJLCUOFRYKKQJX-PIGZYNQJSA-N 1 0 396.469 -0.020 20 0 GBADRO Cn1c2ccc(S(=O)(=O)N3CCC(O)(C[NH+](C)C)CC3)cc2n(C)c1=O ZINC001664356928 1071704440 /nfs/dbraw/zinc/70/44/40/1071704440.db2.gz NXWHITAVGVAJHP-UHFFFAOYSA-N 1 0 382.486 -0.046 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC(C)(C)CNS(C)(=O)=O ZINC001664357204 1071704473 /nfs/dbraw/zinc/70/44/73/1071704473.db2.gz QMDCTBSSCUAQRP-UHFFFAOYSA-N 1 0 395.551 -0.332 20 0 GBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC(O)(C[NH+](C)C)CC3)cnc21 ZINC001664357599 1071704430 /nfs/dbraw/zinc/70/44/30/1071704430.db2.gz UEXPXVAHLFFSBZ-UHFFFAOYSA-N 1 0 397.457 -0.889 20 0 GBADRO NS(=O)(=O)CCCCS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001664382056 1071704653 /nfs/dbraw/zinc/70/46/53/1071704653.db2.gz DGFOWLPETHDHQT-UHFFFAOYSA-N 1 0 397.563 -0.135 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)cc2[nH]c1=O ZINC001664426785 1071705929 /nfs/dbraw/zinc/70/59/29/1071705929.db2.gz LTCPZIRTPDXEOE-GFCCVEGCSA-N 1 0 394.453 -0.252 20 0 GBADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc2[nH]c1=O ZINC001664426786 1071705744 /nfs/dbraw/zinc/70/57/44/1071705744.db2.gz LTCPZIRTPDXEOE-LBPRGKRZSA-N 1 0 394.453 -0.252 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)C2)CC1 ZINC001664513013 1071707143 /nfs/dbraw/zinc/70/71/43/1071707143.db2.gz DZXGODRRXKECSB-UHFFFAOYSA-N 1 0 392.481 -0.077 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3cccc(-c4nnnn4C)c3)C2)CC1 ZINC001664513462 1071707513 /nfs/dbraw/zinc/70/75/13/1071707513.db2.gz OAWXQBCCFONHHN-UHFFFAOYSA-N 1 0 391.501 -0.113 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC001664541761 1071707956 /nfs/dbraw/zinc/70/79/56/1071707956.db2.gz OHKWZYYZICJCDR-GOOCMWNKSA-N 1 0 379.548 -0.349 20 0 GBADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc4c(c3)CS(=O)(=O)C4)C2)CC1 ZINC001664544551 1071707917 /nfs/dbraw/zinc/70/79/17/1071707917.db2.gz URPBEMJRVCOKFV-UHFFFAOYSA-N 1 0 399.538 -0.017 20 0 GBADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1c(CNC(=O)OC(C)(C)C)cnn1C ZINC001664640070 1071710794 /nfs/dbraw/zinc/71/07/94/1071710794.db2.gz MYKUNUSSHKQXSI-UHFFFAOYSA-N 1 0 390.510 -0.070 20 0 GBADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC001664640390 1071710570 /nfs/dbraw/zinc/71/05/70/1071710570.db2.gz SAIBMHXOIHAVHF-CYBMUJFWSA-N 1 0 392.522 -0.448 20 0 GBADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)N(C)C)CC1 ZINC001664640391 1071710786 /nfs/dbraw/zinc/71/07/86/1071710786.db2.gz SAIBMHXOIHAVHF-ZDUSSCGKSA-N 1 0 392.522 -0.448 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001664695906 1071711592 /nfs/dbraw/zinc/71/15/92/1071711592.db2.gz CDYURLIGIFZROS-UHFFFAOYSA-N 1 0 398.489 -0.308 20 0 GBADRO O=C(NCC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001664730453 1071712136 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/nfs/dbraw/zinc/74/65/94/1071746594.db2.gz VNIXRKKTDYOWMI-UHFFFAOYSA-N 1 0 384.506 -0.299 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCCO4)C2)CC1 ZINC001666429333 1071747419 /nfs/dbraw/zinc/74/74/19/1071747419.db2.gz FOLOZFRBKIEXGX-UHFFFAOYSA-N 1 0 394.497 -0.181 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C2)CC1 ZINC001666429413 1071747391 /nfs/dbraw/zinc/74/73/91/1071747391.db2.gz GKAOHGMKTINYSO-UHFFFAOYSA-N 1 0 381.564 -0.149 20 0 GBADRO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001666487908 1071749437 /nfs/dbraw/zinc/74/94/37/1071749437.db2.gz JAHZCYLFTQVVRF-UHFFFAOYSA-N 1 0 376.465 -0.415 20 0 GBADRO CC(C)[C@H](CNC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)[NH+]1CCN(C)CC1 ZINC001666493571 1071749483 /nfs/dbraw/zinc/74/94/83/1071749483.db2.gz ODNUUZWXZITVER-AWEZNQCLSA-N 1 0 390.492 -0.169 20 0 GBADRO CC(C)[C@@H](CNC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)[NH+]1CCN(C)CC1 ZINC001666493572 1071749164 /nfs/dbraw/zinc/74/91/64/1071749164.db2.gz ODNUUZWXZITVER-CQSZACIVSA-N 1 0 390.492 -0.169 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001666513197 1071750238 /nfs/dbraw/zinc/75/02/38/1071750238.db2.gz KGOHKQAUTSNJDE-CQSZACIVSA-N 1 0 381.477 -0.003 20 0 GBADRO Cn1cnnc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001666623790 1071752192 /nfs/dbraw/zinc/75/21/92/1071752192.db2.gz RCRAHQVHXRSIAK-UHFFFAOYSA-N 1 0 386.522 -0.080 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)CC1 ZINC001666669805 1071752202 /nfs/dbraw/zinc/75/22/02/1071752202.db2.gz MSFDVACEQADLCK-HOTGVXAUSA-N 1 0 388.472 -0.121 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001666669806 1071752372 /nfs/dbraw/zinc/75/23/72/1071752372.db2.gz MSFDVACEQADLCK-HZPDHXFCSA-N 1 0 388.472 -0.121 20 0 GBADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001666669807 1071752404 /nfs/dbraw/zinc/75/24/04/1071752404.db2.gz MSFDVACEQADLCK-IYBDPMFKSA-N 1 0 388.472 -0.121 20 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20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001667118923 1071757156 /nfs/dbraw/zinc/75/71/56/1071757156.db2.gz IRSQTZTWHWIYJZ-LLVKDONJSA-N 1 0 395.469 -0.134 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001667118924 1071756869 /nfs/dbraw/zinc/75/68/69/1071756869.db2.gz IRSQTZTWHWIYJZ-NSHDSACASA-N 1 0 395.469 -0.134 20 0 GBADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)CC2)c1 ZINC001667127349 1071756910 /nfs/dbraw/zinc/75/69/10/1071756910.db2.gz DYVRHSHCEQJQDY-UHFFFAOYSA-N 1 0 392.503 -0.567 20 0 GBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC001667177940 1071757894 /nfs/dbraw/zinc/75/78/94/1071757894.db2.gz HYNVKCYKLQTIKA-UHFFFAOYSA-N 1 0 391.472 -0.113 20 0 GBADRO COCCNS(=O)(=O)c1ccc(NC(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC001667201671 1071757745 /nfs/dbraw/zinc/75/77/45/1071757745.db2.gz OMEUNDVMFBGNEQ-UHFFFAOYSA-N 1 0 399.517 -0.020 20 0 GBADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cn1 ZINC001667217057 1071757911 /nfs/dbraw/zinc/75/79/11/1071757911.db2.gz NBYHDKOLDFCGES-XJKSGUPXSA-N 1 0 384.458 -0.168 20 0 GBADRO COC(=O)Cn1ccc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC001667254751 1071757724 /nfs/dbraw/zinc/75/77/24/1071757724.db2.gz MYJKDSKHLMQNMF-UHFFFAOYSA-N 1 0 394.476 -0.026 20 0 GBADRO O=C(Cn1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)n1)N1CCOCC1 ZINC001667263724 1071758442 /nfs/dbraw/zinc/75/84/42/1071758442.db2.gz IMJKTKNXMRUIQP-HNNXBMFYSA-N 1 0 394.476 -0.290 20 0 GBADRO O=C(Cn1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)n1)N1CCOCC1 ZINC001667263725 1071758386 /nfs/dbraw/zinc/75/83/86/1071758386.db2.gz IMJKTKNXMRUIQP-OAHLLOKOSA-N 1 0 394.476 -0.290 20 0 GBADRO CC(C)[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]CCN1C(=O)CCC1=O ZINC001667479084 1071759908 /nfs/dbraw/zinc/75/99/08/1071759908.db2.gz XSGOJBBHEVLGKV-OIPACUDHSA-N 1 0 381.473 -0.083 20 0 GBADRO CC(C)[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]CCN1C(=O)CCC1=O ZINC001667479085 1071759942 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Cn1cnnc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001668073143 1071764138 /nfs/dbraw/zinc/76/41/38/1071764138.db2.gz WRUADYTZCVBZJA-AWEZNQCLSA-N 1 0 380.474 -0.618 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001668148884 1071764738 /nfs/dbraw/zinc/76/47/38/1071764738.db2.gz WSYKEDWTNUVAAH-PVHWUHCKSA-N 1 0 392.500 -0.415 20 0 GBADRO CC(=O)N1CCN(C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001668148885 1071764996 /nfs/dbraw/zinc/76/49/96/1071764996.db2.gz WSYKEDWTNUVAAH-QZFZTSDASA-N 1 0 392.500 -0.415 20 0 GBADRO C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001668148948 1071764967 /nfs/dbraw/zinc/76/49/67/1071764967.db2.gz YMDQENKLSYDYKQ-LMRQPLJMSA-N 1 0 382.461 -0.490 20 0 GBADRO C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001668148949 1071765247 /nfs/dbraw/zinc/76/52/47/1071765247.db2.gz YMDQENKLSYDYKQ-TWJWRFFLSA-N 1 0 382.461 -0.490 20 0 GBADRO C[C@H](CC[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001668219651 1071765692 /nfs/dbraw/zinc/76/56/92/1071765692.db2.gz VUDSOTSOZJXMQD-FPCVCCKLSA-N 1 0 380.489 -0.223 20 0 GBADRO C[C@@H](CC[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001668219652 1071766061 /nfs/dbraw/zinc/76/60/61/1071766061.db2.gz VUDSOTSOZJXMQD-JJXSEGSLSA-N 1 0 380.489 -0.223 20 0 GBADRO C[NH+]1CCN(CCNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC001668222860 1071766103 /nfs/dbraw/zinc/76/61/03/1071766103.db2.gz SJWQBDBZSQCHTD-UHFFFAOYSA-N 1 0 376.461 -0.339 20 0 GBADRO Cc1nc2n(n1)C[C@@H](NC(=O)NCC1(N3CCOCC3)CC[NH+](C)CC1)CC2 ZINC001668313526 1071766732 /nfs/dbraw/zinc/76/67/32/1071766732.db2.gz KZMXZYWPGJQGJG-INIZCTEOSA-N 1 0 391.520 -0.003 20 0 GBADRO Cc1nc2n(n1)C[C@H](NC(=O)NCC1(N3CCOCC3)CC[NH+](C)CC1)CC2 ZINC001668313527 1071766509 /nfs/dbraw/zinc/76/65/09/1071766509.db2.gz KZMXZYWPGJQGJG-MRXNPFEDSA-N 1 0 391.520 -0.003 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC001668344293 1071767718 /nfs/dbraw/zinc/76/77/18/1071767718.db2.gz FDKLMHXENVHLRV-INIZCTEOSA-N 1 0 389.460 -0.570 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC001668344294 1071767711 /nfs/dbraw/zinc/76/77/11/1071767711.db2.gz FDKLMHXENVHLRV-MRXNPFEDSA-N 1 0 389.460 -0.570 20 0 GBADRO Cn1cnn(-c2ccc(NC(=O)NCC[N@H+](C)CCOCCO)cc2)c1=O ZINC001668363756 1071767771 /nfs/dbraw/zinc/76/77/71/1071767771.db2.gz KAZPEWCFJGUSAB-UHFFFAOYSA-N 1 0 378.433 -0.367 20 0 GBADRO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001668378009 1071767396 /nfs/dbraw/zinc/76/73/96/1071767396.db2.gz OAEXRFJZDYANBW-YVEFUNNKSA-N 1 0 381.433 -0.056 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@]23COC(=O)N2CCOC3)CC1 ZINC001668400141 1071767574 /nfs/dbraw/zinc/76/75/74/1071767574.db2.gz JAHHCDQVGMLOIH-GOSISDBHSA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@]23COC(=O)N2CCOC3)CC1 ZINC001668400142 1071767478 /nfs/dbraw/zinc/76/74/78/1071767478.db2.gz JAHHCDQVGMLOIH-SFHVURJKSA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(=O)N=S(C)(C)=O)CC1 ZINC001668400503 1071767537 /nfs/dbraw/zinc/76/75/37/1071767537.db2.gz QTZIHMWXUNRXLU-UHFFFAOYSA-N 1 0 375.495 -0.518 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001668403903 1071767760 /nfs/dbraw/zinc/76/77/60/1071767760.db2.gz LFUWHHYQKAUIHS-UHFFFAOYSA-N 1 0 393.492 -0.453 20 0 GBADRO C[NH+]1CCN(CCNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC001668460713 1071768504 /nfs/dbraw/zinc/76/85/04/1071768504.db2.gz FOOUKZWEIFOQKN-UHFFFAOYSA-N 1 0 385.490 -0.738 20 0 GBADRO CCO[C@H](CNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C[NH+](C)C ZINC001668461362 1071768509 /nfs/dbraw/zinc/76/85/09/1071768509.db2.gz OHPHSPGXXVDBBW-CYBMUJFWSA-N 1 0 388.490 -0.019 20 0 GBADRO CCO[C@@H](CNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C[NH+](C)C ZINC001668461363 1071768564 /nfs/dbraw/zinc/76/85/64/1071768564.db2.gz OHPHSPGXXVDBBW-ZDUSSCGKSA-N 1 0 388.490 -0.019 20 0 GBADRO CCN(CC[NH2+]CC(=O)NCC(=O)N1CCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001668502464 1071769117 /nfs/dbraw/zinc/76/91/17/1071769117.db2.gz PMIJUGYCOPWQNX-LCEIHVTHSA-N 1 0 392.500 -0.414 20 0 GBADRO CCN(CC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001668502469 1071769317 /nfs/dbraw/zinc/76/93/17/1071769317.db2.gz PVINFSJXACVLCT-QBYUYEEZSA-N 1 0 382.505 -0.168 20 0 GBADRO CCN(CC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001668502470 1071769462 /nfs/dbraw/zinc/76/94/62/1071769462.db2.gz PVINFSJXACVLCT-WBTNSWJXSA-N 1 0 382.505 -0.168 20 0 GBADRO CCN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001668506740 1071769052 /nfs/dbraw/zinc/76/90/52/1071769052.db2.gz ILAGDBGWEDOYLC-OFQRWUPVSA-N 1 0 382.461 -0.582 20 0 GBADRO CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCC[NH+]2CCCC2)(C(N)=O)C1 ZINC001668576878 1071770265 /nfs/dbraw/zinc/77/02/65/1071770265.db2.gz GCQQIRNDQUUQFM-UHFFFAOYSA-N 1 0 390.506 -0.134 20 0 GBADRO CC[NH+]1CCN(CCNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)CC1 ZINC001668612332 1071771061 /nfs/dbraw/zinc/77/10/61/1071771061.db2.gz WUQQVHCLGQXNTJ-UHFFFAOYSA-N 1 0 395.469 -0.132 20 0 GBADRO C[NH+]1CCN(c2ccccc2CNC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001668647418 1071771087 /nfs/dbraw/zinc/77/10/87/1071771087.db2.gz ZNRSKFDRCVGMEH-UHFFFAOYSA-N 1 0 398.471 -0.227 20 0 GBADRO CS(=O)(=O)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC001668651185 1071771948 /nfs/dbraw/zinc/77/19/48/1071771948.db2.gz RVBJLQBIMQVIMG-AWEZNQCLSA-N 1 0 385.490 -0.009 20 0 GBADRO CS(=O)(=O)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001668651187 1071771459 /nfs/dbraw/zinc/77/14/59/1071771459.db2.gz RVBJLQBIMQVIMG-CQSZACIVSA-N 1 0 385.490 -0.009 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC1(C)CCOCC1 ZINC001668847018 1071773284 /nfs/dbraw/zinc/77/32/84/1071773284.db2.gz NFBQLROSEUMPNC-UHFFFAOYSA-N 1 0 391.534 -0.145 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1cnc(N)c(C)c1 ZINC001668847056 1071773602 /nfs/dbraw/zinc/77/36/02/1071773602.db2.gz OIHBCGDXOGXRIL-UHFFFAOYSA-N 1 0 385.490 -0.617 20 0 GBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCC[C@H]1OC ZINC001668847625 1071773325 /nfs/dbraw/zinc/77/33/25/1071773325.db2.gz XCHCBAHZMLOATL-CABCVRRESA-N 1 0 377.507 -0.394 20 0 GBADRO Cc1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1S(N)(=O)=O ZINC001668858830 1071773629 /nfs/dbraw/zinc/77/36/29/1071773629.db2.gz SGGBWOZQOAYCMZ-WMLDXEAASA-N 1 0 398.485 -0.010 20 0 GBADRO C[C@@H](CS(C)(=O)=O)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668906551 1071774250 /nfs/dbraw/zinc/77/42/50/1071774250.db2.gz RXDAJRCYVTZCKU-AWEZNQCLSA-N 1 0 376.523 -0.485 20 0 GBADRO C[C@H](CS(C)(=O)=O)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668906552 1071774461 /nfs/dbraw/zinc/77/44/61/1071774461.db2.gz RXDAJRCYVTZCKU-CQSZACIVSA-N 1 0 376.523 -0.485 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001668942389 1071774413 /nfs/dbraw/zinc/77/44/13/1071774413.db2.gz CGRIOVNLGYUEEH-HNNXBMFYSA-N 1 0 390.550 -0.501 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001668942391 1071774441 /nfs/dbraw/zinc/77/44/41/1071774441.db2.gz CGRIOVNLGYUEEH-OAHLLOKOSA-N 1 0 390.550 -0.501 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(S(N)(=O)=O)CCC2)CC1 ZINC001668942475 1071774173 /nfs/dbraw/zinc/77/41/73/1071774173.db2.gz CRBOBOCSLYVTGR-AWEZNQCLSA-N 1 0 375.539 -0.230 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(S(N)(=O)=O)CCC2)CC1 ZINC001668942476 1071774077 /nfs/dbraw/zinc/77/40/77/1071774077.db2.gz CRBOBOCSLYVTGR-CQSZACIVSA-N 1 0 375.539 -0.230 20 0 GBADRO C[C@H](CNC(=O)NCc1nnc2c(=O)n(C)ccn12)C[NH+]1CCN(C)CC1 ZINC001668943341 1071774490 /nfs/dbraw/zinc/77/44/90/1071774490.db2.gz KNZGLKVMNGBDTJ-CYBMUJFWSA-N 1 0 376.465 -0.889 20 0 GBADRO C[C@@H](CNC(=O)NCc1nnc2c(=O)n(C)ccn12)C[NH+]1CCN(C)CC1 ZINC001668943342 1071774264 /nfs/dbraw/zinc/77/42/64/1071774264.db2.gz KNZGLKVMNGBDTJ-ZDUSSCGKSA-N 1 0 376.465 -0.889 20 0 GBADRO C[C@H](CNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC001668944508 1071774510 /nfs/dbraw/zinc/77/45/10/1071774510.db2.gz UMDJXEKZWKJPJT-CYBMUJFWSA-N 1 0 378.477 -0.034 20 0 GBADRO C[C@@H](CNC(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC001668944509 1071774006 /nfs/dbraw/zinc/77/40/06/1071774006.db2.gz UMDJXEKZWKJPJT-ZDUSSCGKSA-N 1 0 378.477 -0.034 20 0 GBADRO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC[C@@H]1CCCO1 ZINC001668950957 1071774450 /nfs/dbraw/zinc/77/44/50/1071774450.db2.gz QGURJBKECUEOJZ-DJMNWTKCSA-N 1 0 381.473 -0.405 20 0 GBADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC[C@H]1CCCO1 ZINC001668950958 1071774126 /nfs/dbraw/zinc/77/41/26/1071774126.db2.gz QGURJBKECUEOJZ-INZACHKQSA-N 1 0 381.473 -0.405 20 0 GBADRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC[C@@H]1CCCO1 ZINC001668950959 1071774209 /nfs/dbraw/zinc/77/42/09/1071774209.db2.gz QGURJBKECUEOJZ-KRXFSNMCSA-N 1 0 381.473 -0.405 20 0 GBADRO 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ZINC001669088084 1071776120 /nfs/dbraw/zinc/77/61/20/1071776120.db2.gz BSFWRNRFEJQCSQ-OAHLLOKOSA-N 1 0 382.465 -0.386 20 0 GBADRO C[NH+](C)CCn1ccc(NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)n1 ZINC001669111909 1071775937 /nfs/dbraw/zinc/77/59/37/1071775937.db2.gz VHMDSEROSBWQRA-UHFFFAOYSA-N 1 0 380.496 -0.376 20 0 GBADRO CS(=O)(=O)C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC001669128137 1071776744 /nfs/dbraw/zinc/77/67/44/1071776744.db2.gz OGTNPJNHSCQBQB-KBPBESRZSA-N 1 0 390.506 -0.971 20 0 GBADRO CS(=O)(=O)C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC001669128138 1071776661 /nfs/dbraw/zinc/77/66/61/1071776661.db2.gz OGTNPJNHSCQBQB-KGLIPLIRSA-N 1 0 390.506 -0.971 20 0 GBADRO CS(=O)(=O)C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC001669128139 1071776888 /nfs/dbraw/zinc/77/68/88/1071776888.db2.gz OGTNPJNHSCQBQB-UONOGXRCSA-N 1 0 390.506 -0.971 20 0 GBADRO CS(=O)(=O)C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC001669128140 1071776983 /nfs/dbraw/zinc/77/69/83/1071776983.db2.gz OGTNPJNHSCQBQB-ZIAGYGMSSA-N 1 0 390.506 -0.971 20 0 GBADRO CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CS(C)(=O)=O ZINC001669128782 1071776879 /nfs/dbraw/zinc/77/68/79/1071776879.db2.gz XCOWNSHVOVXVSX-CYBMUJFWSA-N 1 0 376.523 -0.056 20 0 GBADRO CC(C)(CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CS(C)(=O)=O ZINC001669128783 1071776813 /nfs/dbraw/zinc/77/68/13/1071776813.db2.gz XCOWNSHVOVXVSX-ZDUSSCGKSA-N 1 0 376.523 -0.056 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC001669137012 1071776856 /nfs/dbraw/zinc/77/68/56/1071776856.db2.gz FDGPDJKMMFOOQN-HNNXBMFYSA-N 1 0 376.523 -0.531 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC001669137013 1071776938 /nfs/dbraw/zinc/77/69/38/1071776938.db2.gz FDGPDJKMMFOOQN-OAHLLOKOSA-N 1 0 376.523 -0.531 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001669138023 1071776770 /nfs/dbraw/zinc/77/67/70/1071776770.db2.gz LUHWKBGFWNUQFT-UHFFFAOYSA-N 1 0 390.492 -0.703 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)NCCCO)CC2)CC1 ZINC001669138556 1071776714 /nfs/dbraw/zinc/77/67/14/1071776714.db2.gz QAPOYOVFPHXEAO-UHFFFAOYSA-N 1 0 383.537 -0.066 20 0 GBADRO O=C(Cn1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1)N1CCOCC1 ZINC001669261989 1071779257 /nfs/dbraw/zinc/77/92/57/1071779257.db2.gz JVLVQBPBZXQUDQ-HNNXBMFYSA-N 1 0 394.476 -0.290 20 0 GBADRO O=C(Cn1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1)N1CCOCC1 ZINC001669261995 1071779469 /nfs/dbraw/zinc/77/94/69/1071779469.db2.gz JVLVQBPBZXQUDQ-OAHLLOKOSA-N 1 0 394.476 -0.290 20 0 GBADRO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001669272675 1071779239 /nfs/dbraw/zinc/77/92/39/1071779239.db2.gz HRRURXPASIVVFZ-BBRMVZONSA-N 1 0 375.491 -0.664 20 0 GBADRO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001669272676 1071779443 /nfs/dbraw/zinc/77/94/43/1071779443.db2.gz HRRURXPASIVVFZ-CJNGLKHVSA-N 1 0 375.491 -0.664 20 0 GBADRO O=C(NC[C@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001669272677 1071779205 /nfs/dbraw/zinc/77/92/05/1071779205.db2.gz HRRURXPASIVVFZ-CZUORRHYSA-N 1 0 375.491 -0.664 20 0 GBADRO O=C(NC[C@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001669272678 1071779495 /nfs/dbraw/zinc/77/94/95/1071779495.db2.gz HRRURXPASIVVFZ-XJKSGUPXSA-N 1 0 375.491 -0.664 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC001669353671 1071781059 /nfs/dbraw/zinc/78/10/59/1071781059.db2.gz AXWOFAYFWVBILL-UHFFFAOYSA-N 1 0 376.461 -0.469 20 0 GBADRO C[C@H](C[NH2+]CC(=O)NCC(=O)N1CCCC1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001669357844 1071781065 /nfs/dbraw/zinc/78/10/65/1071781065.db2.gz REXSCNYESPVNDS-YQBONMRBSA-N 1 0 378.473 -0.757 20 0 GBADRO O=C(Cn1cc(NC(=O)NCC[NH+]2CCC(O)CC2)cn1)N1CCOCC1 ZINC001669457541 1071782353 /nfs/dbraw/zinc/78/23/53/1071782353.db2.gz BRAFUXHQXGGVPG-UHFFFAOYSA-N 1 0 380.449 -0.680 20 0 GBADRO C[NH+]1CCN(CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC001669457799 1071782389 /nfs/dbraw/zinc/78/23/89/1071782389.db2.gz FITFAPXCLAIYQL-UHFFFAOYSA-N 1 0 379.465 -0.889 20 0 GBADRO CC(=O)N1CCC(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001669618647 1071784081 /nfs/dbraw/zinc/78/40/81/1071784081.db2.gz SWRYAKVYGDTZPO-BMMUQAPUSA-N 1 0 392.500 -0.369 20 0 GBADRO CC(=O)OCCCS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001669726064 1071785333 /nfs/dbraw/zinc/78/53/33/1071785333.db2.gz GJPZCFMXYTUCAH-UHFFFAOYSA-N 1 0 377.507 -0.344 20 0 GBADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)C2=O)n(C)n1 ZINC001669730307 1071785417 /nfs/dbraw/zinc/78/54/17/1071785417.db2.gz CRJXNYIBAJRBGQ-KBPBESRZSA-N 1 0 378.477 -0.022 20 0 GBADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)C2=O)n(C)n1 ZINC001669730310 1071785725 /nfs/dbraw/zinc/78/57/25/1071785725.db2.gz CRJXNYIBAJRBGQ-UONOGXRCSA-N 1 0 378.477 -0.022 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC001669792155 1071786127 /nfs/dbraw/zinc/78/61/27/1071786127.db2.gz XIROAWUIUXLPQO-UHFFFAOYSA-N 1 0 387.506 -0.250 20 0 GBADRO CNC(=O)Cn1cc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC001669806461 1071786166 /nfs/dbraw/zinc/78/61/66/1071786166.db2.gz ZRRVHNOGZCKGAW-UHFFFAOYSA-N 1 0 379.465 -0.257 20 0 GBADRO COc1ncnc(N(C)C)c1NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001669928565 1071787621 /nfs/dbraw/zinc/78/76/21/1071787621.db2.gz NPSRDBFQWLODJB-YVEFUNNKSA-N 1 0 380.449 -0.102 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(O)(C(N)=O)CC2)CC1 ZINC001669936254 1071787930 /nfs/dbraw/zinc/78/79/30/1071787930.db2.gz HQPCRMYASFRABS-UHFFFAOYSA-N 1 0 397.520 -0.365 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](CO)Cc1cnn(C)c1 ZINC001670065174 1071788333 /nfs/dbraw/zinc/78/83/33/1071788333.db2.gz CNLWQXUMLRUJOG-INIZCTEOSA-N 1 0 398.533 -0.075 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](CO)Cc1cnn(C)c1 ZINC001670065175 1071788619 /nfs/dbraw/zinc/78/86/19/1071788619.db2.gz CNLWQXUMLRUJOG-MRXNPFEDSA-N 1 0 398.533 -0.075 20 0 GBADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(=O)[nH]c1=O ZINC001670292710 1071789710 /nfs/dbraw/zinc/78/97/10/1071789710.db2.gz NAOLEDXFWNMHPI-UHFFFAOYSA-N 1 0 386.474 -0.345 20 0 GBADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)CC1 ZINC001670350676 1071790426 /nfs/dbraw/zinc/79/04/26/1071790426.db2.gz DSXSYMNDLCXEHQ-UHFFFAOYSA-N 1 0 392.522 -0.170 20 0 GBADRO NC(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001670368086 1072268466 /nfs/dbraw/zinc/26/84/66/1072268466.db2.gz QVJKGJCCSCKQIU-INIZCTEOSA-N 1 0 390.488 -0.224 20 0 GBADRO NC(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cn1 ZINC001670368087 1072269038 /nfs/dbraw/zinc/26/90/38/1072269038.db2.gz QVJKGJCCSCKQIU-MRXNPFEDSA-N 1 0 390.488 -0.224 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)c2)CC1 ZINC001670468414 1072381269 /nfs/dbraw/zinc/38/12/69/1072381269.db2.gz KZLLFANOCJUNHK-HOTGVXAUSA-N 1 0 388.472 -0.121 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)c2)CC1 ZINC001670468415 1072380711 /nfs/dbraw/zinc/38/07/11/1072380711.db2.gz KZLLFANOCJUNHK-HZPDHXFCSA-N 1 0 388.472 -0.121 20 0 GBADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C(N)=O)[C@H](C(N)=O)C3)c2)CC1 ZINC001670468416 1072380656 /nfs/dbraw/zinc/38/06/56/1072380656.db2.gz KZLLFANOCJUNHK-IYBDPMFKSA-N 1 0 388.472 -0.121 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001670485738 1072391782 /nfs/dbraw/zinc/39/17/82/1072391782.db2.gz HROQHJLJSVMMDM-CABCVRRESA-N 1 0 389.518 -0.397 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001670485739 1072392101 /nfs/dbraw/zinc/39/21/01/1072392101.db2.gz HROQHJLJSVMMDM-GJZGRUSLSA-N 1 0 389.518 -0.397 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001670485740 1072391860 /nfs/dbraw/zinc/39/18/60/1072391860.db2.gz HROQHJLJSVMMDM-HUUCEWRRSA-N 1 0 389.518 -0.397 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001670485741 1072392058 /nfs/dbraw/zinc/39/20/58/1072392058.db2.gz HROQHJLJSVMMDM-LSDHHAIUSA-N 1 0 389.518 -0.397 20 0 GBADRO Cn1ccn2c(CNC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nnc2c1=O ZINC001670485964 1072391894 /nfs/dbraw/zinc/39/18/94/1072391894.db2.gz KFKIAZVCVXLBCE-KBPBESRZSA-N 1 0 389.460 -0.395 20 0 GBADRO Cn1ccn2c(CNC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nnc2c1=O ZINC001670485965 1072392162 /nfs/dbraw/zinc/39/21/62/1072392162.db2.gz KFKIAZVCVXLBCE-KGLIPLIRSA-N 1 0 389.460 -0.395 20 0 GBADRO Cn1ccn2c(CNC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nnc2c1=O ZINC001670485966 1072392143 /nfs/dbraw/zinc/39/21/43/1072392143.db2.gz KFKIAZVCVXLBCE-UONOGXRCSA-N 1 0 389.460 -0.395 20 0 GBADRO Cn1ccn2c(CNC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nnc2c1=O ZINC001670485967 1072392038 /nfs/dbraw/zinc/39/20/38/1072392038.db2.gz KFKIAZVCVXLBCE-ZIAGYGMSSA-N 1 0 389.460 -0.395 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nn1 ZINC001670486257 1072391949 /nfs/dbraw/zinc/39/19/49/1072391949.db2.gz NBZSEUBYXGCDIL-CVEARBPZSA-N 1 0 393.492 -0.166 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nn1 ZINC001670486259 1072392127 /nfs/dbraw/zinc/39/21/27/1072392127.db2.gz NBZSEUBYXGCDIL-HOTGVXAUSA-N 1 0 393.492 -0.166 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC001670486261 1072392118 /nfs/dbraw/zinc/39/21/18/1072392118.db2.gz NBZSEUBYXGCDIL-HZPDHXFCSA-N 1 0 393.492 -0.166 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nn1 ZINC001670486263 1072392160 /nfs/dbraw/zinc/39/21/60/1072392160.db2.gz NBZSEUBYXGCDIL-JKSUJKDBSA-N 1 0 393.492 -0.166 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001670487023 1072391753 /nfs/dbraw/zinc/39/17/53/1072391753.db2.gz YMUQFLOFPZMXBU-BPLDGKMQSA-N 1 0 376.523 -0.009 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001670487024 1072392156 /nfs/dbraw/zinc/39/21/56/1072392156.db2.gz YMUQFLOFPZMXBU-SNPRPXQTSA-N 1 0 376.523 -0.009 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001670487025 1072391931 /nfs/dbraw/zinc/39/19/31/1072391931.db2.gz YMUQFLOFPZMXBU-VHDGCEQUSA-N 1 0 376.523 -0.009 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001670487026 1072391740 /nfs/dbraw/zinc/39/17/40/1072391740.db2.gz YMUQFLOFPZMXBU-YUELXQCFSA-N 1 0 376.523 -0.009 20 0 GBADRO O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001670501412 1072394666 /nfs/dbraw/zinc/39/46/66/1072394666.db2.gz PSOXPUJBEYNFBE-RZLSGREXSA-N 1 0 380.445 -0.926 20 0 GBADRO O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001670501413 1072394532 /nfs/dbraw/zinc/39/45/32/1072394532.db2.gz PSOXPUJBEYNFBE-TTZDDIAXSA-N 1 0 380.445 -0.926 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001670591115 1072452814 /nfs/dbraw/zinc/45/28/14/1072452814.db2.gz UWKNONRYKLISIU-HNNXBMFYSA-N 1 0 387.550 -0.311 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001670591116 1072452915 /nfs/dbraw/zinc/45/29/15/1072452915.db2.gz UWKNONRYKLISIU-OAHLLOKOSA-N 1 0 387.550 -0.311 20 0 GBADRO C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001670598283 1072453497 /nfs/dbraw/zinc/45/34/97/1072453497.db2.gz PLWKQKHITJUHOJ-BFHYXJOUSA-N 1 0 384.506 -0.002 20 0 GBADRO C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001670598285 1072453529 /nfs/dbraw/zinc/45/35/29/1072453529.db2.gz PLWKQKHITJUHOJ-IHRRRGAJSA-N 1 0 384.506 -0.002 20 0 GBADRO C[C@H](NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001670598287 1072453472 /nfs/dbraw/zinc/45/34/72/1072453472.db2.gz PLWKQKHITJUHOJ-MELADBBJSA-N 1 0 384.506 -0.002 20 0 GBADRO C[C@H](NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001670598289 1072453431 /nfs/dbraw/zinc/45/34/31/1072453431.db2.gz PLWKQKHITJUHOJ-MJBXVCDLSA-N 1 0 384.506 -0.002 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC001670621080 1072456849 /nfs/dbraw/zinc/45/68/49/1072456849.db2.gz LGWUQZNOJUIQAV-KBPBESRZSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC001670621081 1072456859 /nfs/dbraw/zinc/45/68/59/1072456859.db2.gz LGWUQZNOJUIQAV-KGLIPLIRSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC001670621082 1072456525 /nfs/dbraw/zinc/45/65/25/1072456525.db2.gz LGWUQZNOJUIQAV-UONOGXRCSA-N 1 0 376.523 -0.103 20 0 GBADRO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC001670621083 1072456914 /nfs/dbraw/zinc/45/69/14/1072456914.db2.gz LGWUQZNOJUIQAV-ZIAGYGMSSA-N 1 0 376.523 -0.103 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001670698917 1072468654 /nfs/dbraw/zinc/46/86/54/1072468654.db2.gz WNHUZNUOLXLLGL-CVEARBPZSA-N 1 0 381.521 -0.003 20 0 GBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001670698919 1072468374 /nfs/dbraw/zinc/46/83/74/1072468374.db2.gz WNHUZNUOLXLLGL-HOTGVXAUSA-N 1 0 381.521 -0.003 20 0 GBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001670698921 1072468548 /nfs/dbraw/zinc/46/85/48/1072468548.db2.gz WNHUZNUOLXLLGL-HZPDHXFCSA-N 1 0 381.521 -0.003 20 0 GBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001670698923 1072468310 /nfs/dbraw/zinc/46/83/10/1072468310.db2.gz WNHUZNUOLXLLGL-JKSUJKDBSA-N 1 0 381.521 -0.003 20 0 GBADRO CN(CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)S(=O)(=O)c1cccs1 ZINC001670753212 1072395155 /nfs/dbraw/zinc/39/51/55/1072395155.db2.gz OZCAHSQMVFUCHY-GFCCVEGCSA-N 1 0 376.504 -0.266 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC001670780396 1073608716 /nfs/dbraw/zinc/60/87/16/1073608716.db2.gz USUZJIZFOLLRHY-ZDUSSCGKSA-N 1 0 385.490 -0.496 20 0 GBADRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)NC(=O)NC1CC1 ZINC001670824218 1073904732 /nfs/dbraw/zinc/90/47/32/1073904732.db2.gz GEUAGKAETZQGJL-CORIIIEPSA-N 1 0 380.445 -0.736 20 0 GBADRO Cn1ncnc1C1(O)CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC001671191332 1071234447 /nfs/dbraw/zinc/23/44/47/1071234447.db2.gz RMWVSXDGMUVZAX-UHFFFAOYSA-N 1 0 375.433 -0.437 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CC(N)=O)C1CCOCC1 ZINC001671203473 1071293782 /nfs/dbraw/zinc/29/37/82/1071293782.db2.gz RBDDRRNNDZMOJA-UHFFFAOYSA-N 1 0 387.506 -0.283 20 0 GBADRO C[NH+](C)C1CCN(CCNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001671245522 1071500711 /nfs/dbraw/zinc/50/07/11/1071500711.db2.gz MGLIVBANKMQSGF-UHFFFAOYSA-N 1 0 376.523 -0.749 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001671267644 1071791165 /nfs/dbraw/zinc/79/11/65/1071791165.db2.gz DIUPBCOBCVPBDU-BBRMVZONSA-N 1 0 390.488 -0.082 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001671267645 1071791563 /nfs/dbraw/zinc/79/15/63/1071791563.db2.gz DIUPBCOBCVPBDU-CJNGLKHVSA-N 1 0 390.488 -0.082 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC001671267646 1071791127 /nfs/dbraw/zinc/79/11/27/1071791127.db2.gz DIUPBCOBCVPBDU-CZUORRHYSA-N 1 0 390.488 -0.082 20 0 GBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC001671267647 1071791303 /nfs/dbraw/zinc/79/13/03/1071791303.db2.gz DIUPBCOBCVPBDU-XJKSGUPXSA-N 1 0 390.488 -0.082 20 0 GBADRO COC(=O)[C@@]1(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1S(C)(=O)=O ZINC001671291214 1071791148 /nfs/dbraw/zinc/79/11/48/1071791148.db2.gz XGKJZFCZWQBEDE-SWLSCSKDSA-N 1 0 387.462 -0.458 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001671326769 1071791684 /nfs/dbraw/zinc/79/16/84/1071791684.db2.gz VZVZRHLANWHSJR-DEOSSOPVSA-N 1 0 392.551 -0.041 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001671326770 1071791638 /nfs/dbraw/zinc/79/16/38/1071791638.db2.gz VZVZRHLANWHSJR-XMMPIXPASA-N 1 0 392.551 -0.041 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001671327075 1071791633 /nfs/dbraw/zinc/79/16/33/1071791633.db2.gz GOUSYXBYVXZGMZ-RZLSGREXSA-N 1 0 380.445 -0.830 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)n2)CC1 ZINC001671328603 1071791230 /nfs/dbraw/zinc/79/12/30/1071791230.db2.gz CTVXGYNLHGVJLF-CYBMUJFWSA-N 1 0 383.478 -0.484 20 0 GBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)n2)CC1 ZINC001671328604 1071791485 /nfs/dbraw/zinc/79/14/85/1071791485.db2.gz CTVXGYNLHGVJLF-ZDUSSCGKSA-N 1 0 383.478 -0.484 20 0 GBADRO CNC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nn1 ZINC001671425992 1071792976 /nfs/dbraw/zinc/79/29/76/1071792976.db2.gz PDASQPXEXLXVSV-AWEZNQCLSA-N 1 0 391.476 -0.246 20 0 GBADRO CNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nn1 ZINC001671426193 1071792843 /nfs/dbraw/zinc/79/28/43/1071792843.db2.gz PDASQPXEXLXVSV-CQSZACIVSA-N 1 0 391.476 -0.246 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001671441665 1071793162 /nfs/dbraw/zinc/79/31/62/1071793162.db2.gz GJSKZIBIJYZYPG-HNNXBMFYSA-N 1 0 399.517 -0.365 20 0 GBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001671441667 1071792920 /nfs/dbraw/zinc/79/29/20/1071792920.db2.gz GJSKZIBIJYZYPG-OAHLLOKOSA-N 1 0 399.517 -0.365 20 0 GBADRO CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001671484852 1071793053 /nfs/dbraw/zinc/79/30/53/1071793053.db2.gz RHUYGZGLYPNEPN-ZNMIVQPWSA-N 1 0 377.507 -0.202 20 0 GBADRO CS(=O)(=O)N1CC(CS(=O)(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001671498973 1071792815 /nfs/dbraw/zinc/79/28/15/1071792815.db2.gz ZZLPFQSSQAOOJS-FVQHAEBGSA-N 1 0 399.538 -0.072 20 0 GBADRO CCS(=O)(=O)N1CCC(CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001671514229 1071793923 /nfs/dbraw/zinc/79/39/23/1071793923.db2.gz KMJLBJALAPDUDY-UHFFFAOYSA-N 1 0 376.523 -0.196 20 0 GBADRO Cn1ccn2c(CCNS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)nnc2c1=O ZINC001671579748 1071795951 /nfs/dbraw/zinc/79/59/51/1071795951.db2.gz KAZQSEUIAYRYEL-INIZCTEOSA-N 1 0 380.474 -0.624 20 0 GBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC001671691347 1071797098 /nfs/dbraw/zinc/79/70/98/1071797098.db2.gz KVEDRFDWZDSDSA-UHFFFAOYSA-N 1 0 391.515 -0.328 20 0 GBADRO C[NH+](C)CC1(O)CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 ZINC001671696560 1071797064 /nfs/dbraw/zinc/79/70/64/1071797064.db2.gz RHFPDGXGBNXIRF-UHFFFAOYSA-N 1 0 383.470 -0.114 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCC2CS(=O)(=O)C2)(N2CCOCC2)CC1 ZINC001671728427 1071797812 /nfs/dbraw/zinc/79/78/12/1071797812.db2.gz QWQVBXBITHTUBS-UHFFFAOYSA-N 1 0 388.534 -0.483 20 0 GBADRO C[C@@]1(C[NH2+]CC(=O)N2CCNC(=O)C2)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001671762472 1071798540 /nfs/dbraw/zinc/79/85/40/1071798540.db2.gz FHGDSPMRPGUIHR-HOERASLDSA-N 1 0 390.484 -0.804 20 0 GBADRO C[C@]1(C[NH2+]CC(=O)N2CCNC(=O)C2)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001671762473 1071798669 /nfs/dbraw/zinc/79/86/69/1071798669.db2.gz FHGDSPMRPGUIHR-YQXNLMQOSA-N 1 0 390.484 -0.804 20 0 GBADRO CNS(=O)(=O)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001671781580 1071798572 /nfs/dbraw/zinc/79/85/72/1071798572.db2.gz AAFUOFGBTVRERM-UHFFFAOYSA-N 1 0 375.495 -0.949 20 0 GBADRO CC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001671846369 1071799105 /nfs/dbraw/zinc/79/91/05/1071799105.db2.gz GAEMGEIVYUMTFM-KCQAQPDRSA-N 1 0 382.461 -0.549 20 0 GBADRO CC[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 ZINC001671862453 1071800371 /nfs/dbraw/zinc/80/03/71/1071800371.db2.gz HOMOTRHRUOZGIW-UHFFFAOYSA-N 1 0 377.474 -0.327 20 0 GBADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC001671894539 1071799866 /nfs/dbraw/zinc/79/98/66/1071799866.db2.gz WZNDPPZLKSFEIA-UHFFFAOYSA-N 1 0 387.444 -0.019 20 0 GBADRO C[NH+](C)CCn1nccc1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001671894611 1071799858 /nfs/dbraw/zinc/79/98/58/1071799858.db2.gz ZOACYLLXCMODCP-UHFFFAOYSA-N 1 0 377.449 -0.601 20 0 GBADRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCOCC1 ZINC001671949382 1071801340 /nfs/dbraw/zinc/80/13/40/1071801340.db2.gz RIHONJCDUFZJFE-MCIONIFRSA-N 1 0 375.491 -0.642 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)CC1 ZINC001671986460 1071801890 /nfs/dbraw/zinc/80/18/90/1071801890.db2.gz VZPRJTPBCQFHHS-LSDHHAIUSA-N 1 0 379.548 -0.680 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001672020180 1071803593 /nfs/dbraw/zinc/80/35/93/1071803593.db2.gz OJDLVOZKZHQKHQ-CAOSSQGBSA-N 1 0 388.534 -0.055 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001672020182 1071803510 /nfs/dbraw/zinc/80/35/10/1071803510.db2.gz OJDLVOZKZHQKHQ-JONQDZQNSA-N 1 0 388.534 -0.055 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001672020184 1071803645 /nfs/dbraw/zinc/80/36/45/1071803645.db2.gz OJDLVOZKZHQKHQ-VGWMRTNUSA-N 1 0 388.534 -0.055 20 0 GBADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001672020186 1071803444 /nfs/dbraw/zinc/80/34/44/1071803444.db2.gz OJDLVOZKZHQKHQ-YHUYYLMFSA-N 1 0 388.534 -0.055 20 0 GBADRO C[N@@H+]1CCN(CCNC(=O)NCCCCn2cc(C(N)=O)nn2)CC1(C)C ZINC001672096146 1071805704 /nfs/dbraw/zinc/80/57/04/1071805704.db2.gz YGTBCKCEBAKGJI-UHFFFAOYSA-N 1 0 380.497 -0.518 20 0 GBADRO CN(CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001672161308 1071806614 /nfs/dbraw/zinc/80/66/14/1071806614.db2.gz YQAJIXHRSKQXBX-CQSZACIVSA-N 1 0 388.465 -0.188 20 0 GBADRO C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCN1c1cnccn1 ZINC001672206158 1071807747 /nfs/dbraw/zinc/80/77/47/1071807747.db2.gz YBJLGKKJPZZSJX-INIZCTEOSA-N 1 0 382.534 -0.046 20 0 GBADRO C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCN1c1cnccn1 ZINC001672206159 1071807576 /nfs/dbraw/zinc/80/75/76/1071807576.db2.gz YBJLGKKJPZZSJX-MRXNPFEDSA-N 1 0 382.534 -0.046 20 0 GBADRO C[NH+](C)Cc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC001672206707 1071807596 /nfs/dbraw/zinc/80/75/96/1071807596.db2.gz ZWVKSBXPZSZFRR-UHFFFAOYSA-N 1 0 394.461 -0.200 20 0 GBADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001672246039 1071807533 /nfs/dbraw/zinc/80/75/33/1071807533.db2.gz YUJNUJDRIYKQSG-UONOGXRCSA-N 1 0 382.552 -1.000 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]C3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001672267695 1071808488 /nfs/dbraw/zinc/80/84/88/1071808488.db2.gz CMLYRHMGNLAITH-UHFFFAOYSA-N 1 0 386.474 -0.994 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001672269381 1071808676 /nfs/dbraw/zinc/80/86/76/1071808676.db2.gz ZWDPAMIVJVRBDG-UHFFFAOYSA-N 1 0 383.536 -0.512 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001672272674 1071809046 /nfs/dbraw/zinc/80/90/46/1071809046.db2.gz QZQUCGUVUKHDOV-AWEZNQCLSA-N 1 0 383.536 -0.512 20 0 GBADRO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001672272675 1071808616 /nfs/dbraw/zinc/80/86/16/1071808616.db2.gz QZQUCGUVUKHDOV-CQSZACIVSA-N 1 0 383.536 -0.512 20 0 GBADRO Cc1cc(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1S(N)(=O)=O ZINC001672325731 1071809580 /nfs/dbraw/zinc/80/95/80/1071809580.db2.gz FHDVLZZCBRESSU-CYBMUJFWSA-N 1 0 397.501 -0.096 20 0 GBADRO Cc1cc(CNC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1S(N)(=O)=O ZINC001672325732 1071809672 /nfs/dbraw/zinc/80/96/72/1071809672.db2.gz FHDVLZZCBRESSU-ZDUSSCGKSA-N 1 0 397.501 -0.096 20 0 GBADRO COc1cc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1OCC[NH+](C)C ZINC001672390044 1071809611 /nfs/dbraw/zinc/80/96/11/1071809611.db2.gz ZFJPFRNXOQEFLW-UHFFFAOYSA-N 1 0 393.444 -0.203 20 0 GBADRO C[NH+](C)CCn1nccc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001672406469 1071809616 /nfs/dbraw/zinc/80/96/16/1071809616.db2.gz RXHMIGQYVPJXGR-UHFFFAOYSA-N 1 0 397.465 -0.899 20 0 GBADRO NC(=O)COc1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001672423769 1071810308 /nfs/dbraw/zinc/81/03/08/1071810308.db2.gz SNYMOJUFYYIFRP-KBXCAEBGSA-N 1 0 378.429 -0.102 20 0 GBADRO CC(=O)NCCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C1 ZINC001672425261 1071810680 /nfs/dbraw/zinc/81/06/80/1071810680.db2.gz VLEYNTJGNRKMOQ-LUMDGCDRSA-N 1 0 377.485 -0.047 20 0 GBADRO NC(=O)NC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001672455270 1071810549 /nfs/dbraw/zinc/81/05/49/1071810549.db2.gz DMHWCVLMDJOVEV-IJEWVQPXSA-N 1 0 377.489 -0.046 20 0 GBADRO O=C(C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)NC1CC1 ZINC001672458940 1071810525 /nfs/dbraw/zinc/81/05/25/1071810525.db2.gz ALXXZEZSRITXEJ-BCDMZGRMSA-N 1 0 376.501 -0.141 20 0 GBADRO O=C(NCC[NH+]1CCC(NCc2cnon2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001672459133 1071810565 /nfs/dbraw/zinc/81/05/65/1071810565.db2.gz IRFUYBZZQOJCAN-RRQGHBQHSA-N 1 0 379.461 -0.209 20 0 GBADRO Cn1[nH]c(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)nc1=O ZINC001672464104 1071810248 /nfs/dbraw/zinc/81/02/48/1071810248.db2.gz KNFYSMLLFLWCDL-KFWWJZLASA-N 1 0 378.477 -0.654 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001672464215 1071810472 /nfs/dbraw/zinc/81/04/72/1071810472.db2.gz MNUHZYRBGOYDKR-KFWWJZLASA-N 1 0 381.477 -0.820 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001672638209 1071811394 /nfs/dbraw/zinc/81/13/94/1071811394.db2.gz ACXHLAHRXCPNHW-UHFFFAOYSA-N 1 0 388.472 -0.092 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001672644833 1071811194 /nfs/dbraw/zinc/81/11/94/1071811194.db2.gz ZEILKXFXOIJYKN-GASCZTMLSA-N 1 0 388.472 -0.203 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001672644839 1071811625 /nfs/dbraw/zinc/81/16/25/1071811625.db2.gz ZEILKXFXOIJYKN-GJZGRUSLSA-N 1 0 388.472 -0.203 20 0 GBADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001672644841 1071811727 /nfs/dbraw/zinc/81/17/27/1071811727.db2.gz ZEILKXFXOIJYKN-HUUCEWRRSA-N 1 0 388.472 -0.203 20 0 GBADRO Cc1cc(NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)no1 ZINC001672649976 1071811459 /nfs/dbraw/zinc/81/14/59/1071811459.db2.gz NFUVIAPASWHIQA-RBUCKAEESA-N 1 0 378.429 -0.245 20 0 GBADRO COC(=O)c1cn(CCNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)nn1 ZINC001672651804 1071811331 /nfs/dbraw/zinc/81/13/31/1071811331.db2.gz IMVMADMDYOCOTI-UHFFFAOYSA-N 1 0 380.449 -0.182 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCS2(=O)=O)(N2CCOCC2)CC1 ZINC001672719966 1071812270 /nfs/dbraw/zinc/81/22/70/1071812270.db2.gz RSSRYVQTGXEAPA-HNNXBMFYSA-N 1 0 388.534 -0.341 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@H]2CCCS2(=O)=O)(N2CCOCC2)CC1 ZINC001672719967 1071812180 /nfs/dbraw/zinc/81/21/80/1071812180.db2.gz RSSRYVQTGXEAPA-OAHLLOKOSA-N 1 0 388.534 -0.341 20 0 GBADRO CNC(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)nn1 ZINC001672788094 1071813071 /nfs/dbraw/zinc/81/30/71/1071813071.db2.gz VTNVWJGOAHELJY-UHFFFAOYSA-N 1 0 391.476 -0.246 20 0 GBADRO CCOC(=O)COCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001672839854 1071813267 /nfs/dbraw/zinc/81/32/67/1071813267.db2.gz ONZMKDUCMRYUBL-GOOCMWNKSA-N 1 0 384.477 -0.051 20 0 GBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC001672879234 1071814203 /nfs/dbraw/zinc/81/42/03/1071814203.db2.gz OVPCOMUILHHRDO-GFCCVEGCSA-N 1 0 381.458 -0.220 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC001672879235 1071813732 /nfs/dbraw/zinc/81/37/32/1071813732.db2.gz OVPCOMUILHHRDO-LBPRGKRZSA-N 1 0 381.458 -0.220 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCCCS(N)(=O)=O)(N2CCOCC2)CC1 ZINC001673140842 1071561334 /nfs/dbraw/zinc/56/13/34/1071561334.db2.gz WYLUHZQRDYKEJY-UHFFFAOYSA-N 1 0 391.538 -0.849 20 0 GBADRO NS(=O)(=O)CCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001673140934 1071562038 /nfs/dbraw/zinc/56/20/38/1071562038.db2.gz ZXZLNSPJIQXXCT-UHFFFAOYSA-N 1 0 375.495 -0.995 20 0 GBADRO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001673167393 1071815710 /nfs/dbraw/zinc/81/57/10/1071815710.db2.gz WOVOJUYUVKRTPI-CABCVRRESA-N 1 0 391.476 -0.029 20 0 GBADRO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001673167394 1071816043 /nfs/dbraw/zinc/81/60/43/1071816043.db2.gz WOVOJUYUVKRTPI-GJZGRUSLSA-N 1 0 391.476 -0.029 20 0 GBADRO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001673167395 1071815647 /nfs/dbraw/zinc/81/56/47/1071815647.db2.gz WOVOJUYUVKRTPI-HUUCEWRRSA-N 1 0 391.476 -0.029 20 0 GBADRO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001673167396 1071815833 /nfs/dbraw/zinc/81/58/33/1071815833.db2.gz WOVOJUYUVKRTPI-LSDHHAIUSA-N 1 0 391.476 -0.029 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)CC[N@H+](C)C1 ZINC001673167408 1071815677 /nfs/dbraw/zinc/81/56/77/1071815677.db2.gz WVCWSADARQEQPY-CYBMUJFWSA-N 1 0 393.448 -0.523 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)CC[N@H+](C)C1 ZINC001673167410 1071815970 /nfs/dbraw/zinc/81/59/70/1071815970.db2.gz WVCWSADARQEQPY-ZDUSSCGKSA-N 1 0 393.448 -0.523 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@H](C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001673293210 1071816677 /nfs/dbraw/zinc/81/66/77/1071816677.db2.gz CFEKRDOUJXVGHJ-HLUFSKSISA-N 1 0 392.456 -0.831 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H](C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001673293211 1071816710 /nfs/dbraw/zinc/81/67/10/1071816710.db2.gz CFEKRDOUJXVGHJ-UZVBGSJOSA-N 1 0 392.456 -0.831 20 0 GBADRO Cn1nccc1CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCO1 ZINC001673293306 1071816700 /nfs/dbraw/zinc/81/67/00/1071816700.db2.gz FJADYQIVSSAYQZ-LEUOFYLZSA-N 1 0 378.473 -0.169 20 0 GBADRO Cn1nccc1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCO1 ZINC001673293307 1071816804 /nfs/dbraw/zinc/81/68/04/1071816804.db2.gz FJADYQIVSSAYQZ-XOYOTBSWSA-N 1 0 378.473 -0.169 20 0 GBADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001673293730 1071816379 /nfs/dbraw/zinc/81/63/79/1071816379.db2.gz LSRJKSCUOYLGMI-KNCOVGOOSA-N 1 0 380.445 -0.830 20 0 GBADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001673293731 1071816789 /nfs/dbraw/zinc/81/67/89/1071816789.db2.gz LSRJKSCUOYLGMI-RZLSGREXSA-N 1 0 380.445 -0.830 20 0 GBADRO CC(C)S(=O)(=O)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673351788 1071816477 /nfs/dbraw/zinc/81/64/77/1071816477.db2.gz YFTZVZFBGZRCCI-UHFFFAOYSA-N 1 0 390.550 -0.095 20 0 GBADRO C[N@@H+]1C[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)[C@H](c2ccccc2)C1 ZINC001673447848 1071817706 /nfs/dbraw/zinc/81/77/06/1071817706.db2.gz AZKMJPOXTPQKDC-CVEARBPZSA-N 1 0 384.502 -0.064 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC001673617954 1071819544 /nfs/dbraw/zinc/81/95/44/1071819544.db2.gz AJVAZYVXDSXLDB-HNNXBMFYSA-N 1 0 384.477 -0.634 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC001673617955 1071819478 /nfs/dbraw/zinc/81/94/78/1071819478.db2.gz AJVAZYVXDSXLDB-OAHLLOKOSA-N 1 0 384.477 -0.634 20 0 GBADRO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673625615 1071819761 /nfs/dbraw/zinc/81/97/61/1071819761.db2.gz RYFOJNVVRJGTGT-DLBZAZTESA-N 1 0 384.521 -0.036 20 0 GBADRO C[C@@H](O)C[C@@H]1COCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673625901 1071819746 /nfs/dbraw/zinc/81/97/46/1071819746.db2.gz RYFOJNVVRJGTGT-IAGOWNOFSA-N 1 0 384.521 -0.036 20 0 GBADRO C[C@H](O)C[C@H]1COCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673625905 1071819787 /nfs/dbraw/zinc/81/97/87/1071819787.db2.gz RYFOJNVVRJGTGT-IRXDYDNUSA-N 1 0 384.521 -0.036 20 0 GBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673625908 1071819721 /nfs/dbraw/zinc/81/97/21/1071819721.db2.gz RYFOJNVVRJGTGT-SJORKVTESA-N 1 0 384.521 -0.036 20 0 GBADRO CCS(=O)(=O)CCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001673626855 1071819512 /nfs/dbraw/zinc/81/95/12/1071819512.db2.gz XQKHFUKSMURKJY-UHFFFAOYSA-N 1 0 390.550 -0.093 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CNC(=O)C1 ZINC001673641840 1071819622 /nfs/dbraw/zinc/81/96/22/1071819622.db2.gz BEBRVCBHMOWPOZ-CVEARBPZSA-N 1 0 375.473 -0.289 20 0 GBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CNC(=O)C1 ZINC001673641841 1071819610 /nfs/dbraw/zinc/81/96/10/1071819610.db2.gz BEBRVCBHMOWPOZ-HOTGVXAUSA-N 1 0 375.473 -0.289 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2)CC1 ZINC001673653464 1071819712 /nfs/dbraw/zinc/81/97/12/1071819712.db2.gz RSDPPCCGSIUREO-SJORKVTESA-N 1 0 376.457 -0.057 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001673672873 1071819242 /nfs/dbraw/zinc/81/92/42/1071819242.db2.gz ZVCRVOOPNMDPDJ-GJRWTSMGSA-N 1 0 378.473 -0.013 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001673672876 1071819293 /nfs/dbraw/zinc/81/92/93/1071819293.db2.gz ZVCRVOOPNMDPDJ-NXEZDXNNSA-N 1 0 378.473 -0.013 20 0 GBADRO Cn1cc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC001673683418 1071819491 /nfs/dbraw/zinc/81/94/91/1071819491.db2.gz VSGCUKRLCVUQIZ-BMFAXAFESA-N 1 0 378.473 -0.085 20 0 GBADRO Cn1cc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC001673683419 1071819794 /nfs/dbraw/zinc/81/97/94/1071819794.db2.gz VSGCUKRLCVUQIZ-IMBTUZDBSA-N 1 0 378.473 -0.085 20 0 GBADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@](CO)([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001673694254 1071819421 /nfs/dbraw/zinc/81/94/21/1071819421.db2.gz IUBXFIHMGIZQBE-ZUMXRPEOSA-N 1 0 380.445 -0.951 20 0 GBADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@](CO)([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001673694256 1071819279 /nfs/dbraw/zinc/81/92/79/1071819279.db2.gz IUBXFIHMGIZQBE-ZXTQRBJTSA-N 1 0 380.445 -0.951 20 0 GBADRO O=C(NC1(C[NH2+]CCN2CCNC2=O)CCOCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001673735898 1071819691 /nfs/dbraw/zinc/81/96/91/1071819691.db2.gz HKBJUCVPZJDSMY-LEOABGAYSA-N 1 0 378.473 -0.310 20 0 GBADRO CN1CC[C@@H]([NH2+]CC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCOCC2)C1=O ZINC001673736740 1071819657 /nfs/dbraw/zinc/81/96/57/1071819657.db2.gz YXGPDZPUAFAMIE-CAOSSQGBSA-N 1 0 381.473 -0.476 20 0 GBADRO CN1CC[C@H]([NH2+]CC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCOCC2)C1=O ZINC001673736741 1071819688 /nfs/dbraw/zinc/81/96/88/1071819688.db2.gz YXGPDZPUAFAMIE-YHUYYLMFSA-N 1 0 381.473 -0.476 20 0 GBADRO C[C@H]([NH2+]CC1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCOCC1)C(=O)NC(N)=O ZINC001673736769 1071819431 /nfs/dbraw/zinc/81/94/31/1071819431.db2.gz ZSWIWDAUMZWUNE-XDQVBPFNSA-N 1 0 382.461 -0.360 20 0 GBADRO C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCOCC1)C(=O)NC(N)=O ZINC001673736770 1071819782 /nfs/dbraw/zinc/81/97/82/1071819782.db2.gz ZSWIWDAUMZWUNE-ZOBORPQBSA-N 1 0 382.461 -0.360 20 0 GBADRO NS(=O)(=O)c1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cs1 ZINC001673850391 1071821417 /nfs/dbraw/zinc/82/14/17/1071821417.db2.gz OEGWLQRHXKCUNK-SMDDNHRTSA-N 1 0 390.487 -0.257 20 0 GBADRO COc1ccc([C@@H](CNC(=O)N2CC3(C2)NC(=O)NC3=O)[NH+](C)C)cc1OC ZINC001673909827 1071821525 /nfs/dbraw/zinc/82/15/25/1071821525.db2.gz QBPMVZUCOWXAOK-GFCCVEGCSA-N 1 0 391.428 -0.090 20 0 GBADRO COc1ccc([C@H](CNC(=O)N2CC3(C2)NC(=O)NC3=O)[NH+](C)C)cc1OC ZINC001673909828 1071821231 /nfs/dbraw/zinc/82/12/31/1071821231.db2.gz QBPMVZUCOWXAOK-LBPRGKRZSA-N 1 0 391.428 -0.090 20 0 GBADRO COCCn1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)ccc1=O ZINC001673999835 1071821545 /nfs/dbraw/zinc/82/15/45/1071821545.db2.gz UPYXWHXDPXVSJR-MAUKXSAKSA-N 1 0 380.445 -0.158 20 0 GBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCCCS(N)(=O)=O)c2)CC1 ZINC001674000444 1071821285 /nfs/dbraw/zinc/82/12/85/1071821285.db2.gz FJHJWSYCKUIMMG-UHFFFAOYSA-N 1 0 383.518 -0.088 20 0 GBADRO NS(=O)(=O)CCCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001674000911 1071821431 /nfs/dbraw/zinc/82/14/31/1071821431.db2.gz RXHJHVKPHFQPNH-UHFFFAOYSA-N 1 0 399.521 -0.643 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCCS(N)(=O)=O)CC1 ZINC001674000974 1071821502 /nfs/dbraw/zinc/82/15/02/1071821502.db2.gz UJJJRADUULRUFA-UHFFFAOYSA-N 1 0 391.538 -0.409 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)NCCCS(N)(=O)=O)cc2)CC1 ZINC001674005805 1071822146 /nfs/dbraw/zinc/82/21/46/1071822146.db2.gz VUTNEKBYUDLUEJ-UHFFFAOYSA-N 1 0 383.518 -0.041 20 0 GBADRO CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)n1 ZINC001674069642 1071822297 /nfs/dbraw/zinc/82/22/97/1071822297.db2.gz VXVQJKQGIVQMDC-SUMWQHHRSA-N 1 0 380.449 -0.682 20 0 GBADRO Cn1ccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)n1 ZINC001674087434 1071822223 /nfs/dbraw/zinc/82/22/23/1071822223.db2.gz HVNMHMVGZAOGCL-BHYGNILZSA-N 1 0 378.473 -0.085 20 0 GBADRO C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)C(=O)NC(N)=O ZINC001674088389 1071822439 /nfs/dbraw/zinc/82/24/39/1071822439.db2.gz SPWKDRURXNHGPA-XDQVBPFNSA-N 1 0 382.461 -0.672 20 0 GBADRO C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)C(=O)NC(N)=O ZINC001674088391 1071822249 /nfs/dbraw/zinc/82/22/49/1071822249.db2.gz SPWKDRURXNHGPA-ZOBORPQBSA-N 1 0 382.461 -0.672 20 0 GBADRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)NC1CC1 ZINC001674088838 1071822128 /nfs/dbraw/zinc/82/21/28/1071822128.db2.gz YGHSNOIGVOARPL-JLJPHGGASA-N 1 0 381.473 -0.740 20 0 GBADRO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001674143783 1071823368 /nfs/dbraw/zinc/82/33/68/1071823368.db2.gz SCPKSLFKSVDIQY-ZDUSSCGKSA-N 1 0 394.428 -0.214 20 0 GBADRO C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC001674161217 1071823191 /nfs/dbraw/zinc/82/31/91/1071823191.db2.gz NAFXHYJIOWJJFY-ABAIWWIYSA-N 1 0 387.481 -0.093 20 0 GBADRO C[C@@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC001674161218 1071823282 /nfs/dbraw/zinc/82/32/82/1071823282.db2.gz NAFXHYJIOWJJFY-IAQYHMDHSA-N 1 0 387.481 -0.093 20 0 GBADRO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC001674161219 1071822874 /nfs/dbraw/zinc/82/28/74/1071822874.db2.gz NAFXHYJIOWJJFY-NHYWBVRUSA-N 1 0 387.481 -0.093 20 0 GBADRO C[C@H](NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC001674161220 1071822956 /nfs/dbraw/zinc/82/29/56/1071822956.db2.gz NAFXHYJIOWJJFY-XHDPSFHLSA-N 1 0 387.481 -0.093 20 0 GBADRO CN(C)S(=O)(=O)N1CC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001674181529 1071824093 /nfs/dbraw/zinc/82/40/93/1071824093.db2.gz MPIZLGRCYSSOQH-UHFFFAOYSA-N 1 0 385.494 -0.238 20 0 GBADRO C[NH+]1CCC(n2cc(NC(=O)NC[C@]34COCCN3C(=O)COC4)cn2)CC1 ZINC001674181627 1071824074 /nfs/dbraw/zinc/82/40/74/1071824074.db2.gz PFIKTPUCXXULQE-GOSISDBHSA-N 1 0 392.460 -0.101 20 0 GBADRO C[NH+]1CCC(n2cc(NC(=O)NC[C@@]34COCCN3C(=O)COC4)cn2)CC1 ZINC001674181628 1071824177 /nfs/dbraw/zinc/82/41/77/1071824177.db2.gz PFIKTPUCXXULQE-SFHVURJKSA-N 1 0 392.460 -0.101 20 0 GBADRO Cn1cc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C(N)=O)n1 ZINC001674184622 1071824084 /nfs/dbraw/zinc/82/40/84/1071824084.db2.gz WJRVUFYWGFAJNW-UHFFFAOYSA-N 1 0 379.465 -0.563 20 0 GBADRO Cn1cc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(C(N)=O)n1 ZINC001674187903 1071824099 /nfs/dbraw/zinc/82/40/99/1071824099.db2.gz PQCHBRHCFDZERP-UHFFFAOYSA-N 1 0 377.449 -0.143 20 0 GBADRO C[C@@H](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001674235930 1071824058 /nfs/dbraw/zinc/82/40/58/1071824058.db2.gz AWLVXKHCAPRHIQ-XZDPQHSOSA-N 1 0 380.489 -0.238 20 0 GBADRO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC001674347812 1071824891 /nfs/dbraw/zinc/82/48/91/1071824891.db2.gz PBDKTUVRXUYYQR-UHFFFAOYSA-N 1 0 384.524 -0.545 20 0 GBADRO NS(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001674347987 1071824770 /nfs/dbraw/zinc/82/47/70/1071824770.db2.gz VTPAKHROIZUVJN-XJKSGUPXSA-N 1 0 384.458 -0.319 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NCCn2cc(C(=O)OC)nn2)CC1 ZINC001674348865 1071824911 /nfs/dbraw/zinc/82/49/11/1071824911.db2.gz YQCHXVZOQUXABM-UHFFFAOYSA-N 1 0 381.481 -0.218 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001674386896 1071826443 /nfs/dbraw/zinc/82/64/43/1071826443.db2.gz CMIOENUZBNIKRR-UZVBGSJOSA-N 1 0 376.457 -0.068 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001674394246 1071825903 /nfs/dbraw/zinc/82/59/03/1071825903.db2.gz BQPXPQWTNRYSMD-HNNXBMFYSA-N 1 0 396.492 -0.894 20 0 GBADRO CCOC(=O)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC12COC2 ZINC001674394256 1071826499 /nfs/dbraw/zinc/82/64/99/1071826499.db2.gz BWDWXCXFVLBVSX-KBPBESRZSA-N 1 0 382.461 -0.453 20 0 GBADRO CCOC(=O)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC12COC2 ZINC001674394257 1071826533 /nfs/dbraw/zinc/82/65/33/1071826533.db2.gz BWDWXCXFVLBVSX-KGLIPLIRSA-N 1 0 382.461 -0.453 20 0 GBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001674394274 1071826511 /nfs/dbraw/zinc/82/65/11/1071826511.db2.gz BZZSFAMIGHYOEZ-HOCLYGCPSA-N 1 0 394.520 -0.680 20 0 GBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001674394275 1071826003 /nfs/dbraw/zinc/82/60/03/1071826003.db2.gz BZZSFAMIGHYOEZ-ZBFHGGJFSA-N 1 0 394.520 -0.680 20 0 GBADRO CCN(CC)C(=O)CN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001674394980 1071826523 /nfs/dbraw/zinc/82/65/23/1071826523.db2.gz KFDQEXNDBZFAPW-INIZCTEOSA-N 1 0 396.536 -0.478 20 0 GBADRO Cn1ccnc1C(NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC001674395202 1071825960 /nfs/dbraw/zinc/82/59/60/1071825960.db2.gz MAZDGIVNYLQLJW-ZDUSSCGKSA-N 1 0 388.476 -0.118 20 0 GBADRO COC(=O)[C@]12CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C[C@H]1COCC2 ZINC001674395269 1071825977 /nfs/dbraw/zinc/82/59/77/1071825977.db2.gz NDTFORBRHMADIT-SUNYJGFJSA-N 1 0 382.461 -0.453 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001674395300 1071826130 /nfs/dbraw/zinc/82/61/30/1071826130.db2.gz NKRDDBLQEQGQBI-OLZOCXBDSA-N 1 0 377.449 -0.600 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001674395301 1071826378 /nfs/dbraw/zinc/82/63/78/1071826378.db2.gz NKRDDBLQEQGQBI-STQMWFEESA-N 1 0 377.449 -0.600 20 0 GBADRO COCCNC(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001674395531 1071825786 /nfs/dbraw/zinc/82/57/86/1071825786.db2.gz OXFLWFRHRYFUJQ-HNNXBMFYSA-N 1 0 383.493 -0.490 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2nnc3c(=O)n(C)ccn23)C1 ZINC001674395621 1071826414 /nfs/dbraw/zinc/82/64/14/1071826414.db2.gz RQTLTDCELVVBJJ-CYBMUJFWSA-N 1 0 377.449 -0.416 20 0 GBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nnc3c(=O)n(C)ccn23)C1 ZINC001674395622 1071825889 /nfs/dbraw/zinc/82/58/89/1071825889.db2.gz RQTLTDCELVVBJJ-ZDUSSCGKSA-N 1 0 377.449 -0.416 20 0 GBADRO C[C@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)NC(=O)NC1=O ZINC001674395695 1071826545 /nfs/dbraw/zinc/82/65/45/1071826545.db2.gz QWKKILBDNDBWDT-SCLBCKFNSA-N 1 0 394.476 -0.654 20 0 GBADRO C[C@@]1(C2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)NC(=O)NC1=O ZINC001674395698 1071825879 /nfs/dbraw/zinc/82/58/79/1071825879.db2.gz QWKKILBDNDBWDT-UGSOOPFHSA-N 1 0 394.476 -0.654 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001674395789 1071826266 /nfs/dbraw/zinc/82/62/66/1071826266.db2.gz RLBXGEXJBXOXDW-WMLDXEAASA-N 1 0 386.518 -0.064 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001674395790 1071825934 /nfs/dbraw/zinc/82/59/34/1071825934.db2.gz RLBXGEXJBXOXDW-YOEHRIQHSA-N 1 0 386.518 -0.064 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCCC1 ZINC001674395842 1071825756 /nfs/dbraw/zinc/82/57/56/1071825756.db2.gz RYJHWPSZZQHKMF-ZDUSSCGKSA-N 1 0 375.495 -0.949 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001674396266 1071825864 /nfs/dbraw/zinc/82/58/64/1071825864.db2.gz ZWPUFEWQBGLIMN-CABCVRRESA-N 1 0 379.465 -0.543 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001674396267 1071826516 /nfs/dbraw/zinc/82/65/16/1071826516.db2.gz ZWPUFEWQBGLIMN-GJZGRUSLSA-N 1 0 379.465 -0.543 20 0 GBADRO O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001674422837 1071826056 /nfs/dbraw/zinc/82/60/56/1071826056.db2.gz YBLGAFAPSOYZEK-CABCVRRESA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001674422838 1071826451 /nfs/dbraw/zinc/82/64/51/1071826451.db2.gz YBLGAFAPSOYZEK-GJZGRUSLSA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001674422839 1071826217 /nfs/dbraw/zinc/82/62/17/1071826217.db2.gz YBLGAFAPSOYZEK-HUUCEWRRSA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001674422840 1071825670 /nfs/dbraw/zinc/82/56/70/1071825670.db2.gz YBLGAFAPSOYZEK-LSDHHAIUSA-N 1 0 388.476 -0.151 20 0 GBADRO NS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001674454551 1071827184 /nfs/dbraw/zinc/82/71/84/1071827184.db2.gz AWAJYWRXSXKJTO-WMLDXEAASA-N 1 0 398.485 -0.641 20 0 GBADRO Cn1c2cc(NC(=O)NCC3(O)CC[NH+](C)CC3)ccc2c(=O)n(C)c1=O 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/nfs/dbraw/zinc/83/22/19/1071832219.db2.gz KILHPVUUJDMVRB-HNNXBMFYSA-N 1 0 391.476 -0.029 20 0 GBADRO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001674956912 1071832294 /nfs/dbraw/zinc/83/22/94/1071832294.db2.gz KILHPVUUJDMVRB-OAHLLOKOSA-N 1 0 391.476 -0.029 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001674968775 1071833389 /nfs/dbraw/zinc/83/33/89/1071833389.db2.gz XZECPVARFWOMRN-KBPBESRZSA-N 1 0 385.509 -0.232 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001674988379 1071833506 /nfs/dbraw/zinc/83/35/06/1071833506.db2.gz XGPZDNQHMRLDLK-AWEZNQCLSA-N 1 0 375.539 -0.407 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001674988380 1071833421 /nfs/dbraw/zinc/83/34/21/1071833421.db2.gz XGPZDNQHMRLDLK-CQSZACIVSA-N 1 0 375.539 -0.407 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)CC1 ZINC001675072708 1071834645 /nfs/dbraw/zinc/83/46/45/1071834645.db2.gz 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COC(=O)CCNC(=O)CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001675099405 1071835108 /nfs/dbraw/zinc/83/51/08/1071835108.db2.gz OJHMVPNWKCRXIA-CQSZACIVSA-N 1 0 397.476 -0.996 20 0 GBADRO NS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001675256815 1071836124 /nfs/dbraw/zinc/83/61/24/1071836124.db2.gz OIUPQRYZCIHMKW-XJKSGUPXSA-N 1 0 384.458 -0.319 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC001675275475 1071835903 /nfs/dbraw/zinc/83/59/03/1071835903.db2.gz IFAHUDWDYJVLRX-GFCCVEGCSA-N 1 0 376.479 -0.843 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC001675275482 1071836069 /nfs/dbraw/zinc/83/60/69/1071836069.db2.gz IFAHUDWDYJVLRX-LBPRGKRZSA-N 1 0 376.479 -0.843 20 0 GBADRO CS(=O)(=O)N1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001675276261 1071835966 /nfs/dbraw/zinc/83/59/66/1071835966.db2.gz OQSVFBCBMQDERL-ZDUSSCGKSA-N 1 0 375.495 -0.951 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(S(N)(=O)=O)CC3)cn2)CC1 ZINC001675367155 1071837445 /nfs/dbraw/zinc/83/74/45/1071837445.db2.gz IDXVGJQSLVXFPN-UHFFFAOYSA-N 1 0 396.517 -0.156 20 0 GBADRO COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC001675452077 1071837392 /nfs/dbraw/zinc/83/73/92/1071837392.db2.gz JHCJDZLPIONUCT-CYBMUJFWSA-N 1 0 392.460 -0.032 20 0 GBADRO COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC001675452078 1071837676 /nfs/dbraw/zinc/83/76/76/1071837676.db2.gz JHCJDZLPIONUCT-ZDUSSCGKSA-N 1 0 392.460 -0.032 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCC2N=NC(=O)N2C2CC2)(N2CCOCC2)CC1 ZINC001675469157 1071838508 /nfs/dbraw/zinc/83/85/08/1071838508.db2.gz LRTJVKPDWWCZDY-UHFFFAOYSA-N 1 0 393.492 -0.086 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)Nc3n[nH]nc3C(=O)NC3CC3)CC2)CC1 ZINC001675469844 1071838407 /nfs/dbraw/zinc/83/84/07/1071838407.db2.gz FDLCAWQXVAPERZ-UHFFFAOYSA-N 1 0 376.465 -0.059 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001675482568 1071838526 /nfs/dbraw/zinc/83/85/26/1071838526.db2.gz FNEWCBGNBVABPT-CYBMUJFWSA-N 1 0 397.501 -0.362 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001675482569 1071838491 /nfs/dbraw/zinc/83/84/91/1071838491.db2.gz FNEWCBGNBVABPT-ZDUSSCGKSA-N 1 0 397.501 -0.362 20 0 GBADRO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001675527742 1071838278 /nfs/dbraw/zinc/83/82/78/1071838278.db2.gz PXNBIBUGZCJBCE-ORXBUVRYSA-N 1 0 390.484 -0.060 20 0 GBADRO O=C(NCCN1CCNC1=S)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001675542408 1071838066 /nfs/dbraw/zinc/83/80/66/1071838066.db2.gz VMUOPSOJVBCFEA-HNNXBMFYSA-N 1 0 384.550 -0.728 20 0 GBADRO O=C(NCCN1CCNC1=S)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001675542417 1071838036 /nfs/dbraw/zinc/83/80/36/1071838036.db2.gz VMUOPSOJVBCFEA-OAHLLOKOSA-N 1 0 384.550 -0.728 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001675618042 1071839221 /nfs/dbraw/zinc/83/92/21/1071839221.db2.gz ONOPLVQYVARJNV-UHFFFAOYSA-N 1 0 378.481 -0.763 20 0 GBADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1nnc2n1CCNC2=O ZINC001675618047 1071839042 /nfs/dbraw/zinc/83/90/42/1071839042.db2.gz OOUVUXKKDGAQQW-UHFFFAOYSA-N 1 0 377.449 -0.725 20 0 GBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1nnc2n1CCNC2=O ZINC001675618311 1071840194 /nfs/dbraw/zinc/84/01/94/1071840194.db2.gz SDDAMMIIKAXQKM-LBPRGKRZSA-N 1 0 377.449 -0.584 20 0 GBADRO CS(=O)(=O)C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001675768158 1071840240 /nfs/dbraw/zinc/84/02/40/1071840240.db2.gz KEEMKMXBXNGMEI-KRWDZBQOSA-N 1 0 398.529 -0.097 20 0 GBADRO CS(=O)(=O)C[C@H](O)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001675768159 1071840345 /nfs/dbraw/zinc/84/03/45/1071840345.db2.gz KEEMKMXBXNGMEI-QGZVFWFLSA-N 1 0 398.529 -0.097 20 0 GBADRO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC(=O)NC1CC1 ZINC001675771992 1071840291 /nfs/dbraw/zinc/84/02/91/1071840291.db2.gz ONSRYEPCSJSPOQ-GVUKAEIUSA-N 1 0 376.457 -0.118 20 0 GBADRO O=C(N[C@H]1C[C@H](C[NH2+]CCN2CCCS2(=O)=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001675771996 1071840339 /nfs/dbraw/zinc/84/03/39/1071840339.db2.gz OTBUAYAMWVAAFX-HQGJOLIPSA-N 1 0 383.514 -0.070 20 0 GBADRO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCOCC1 ZINC001675772183 1071840154 /nfs/dbraw/zinc/84/01/54/1071840154.db2.gz RRMAWPRGMNFHND-IQWQSGHPSA-N 1 0 381.473 -0.619 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(O)(C(N)=O)CC3)cn2)CC1 ZINC001675787873 1071840431 /nfs/dbraw/zinc/84/04/31/1071840431.db2.gz LGHPGKLJBSGMBB-UHFFFAOYSA-N 1 0 390.488 -0.255 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)CS(C)(=O)=O)cn2)CC1 ZINC001675788232 1071841107 /nfs/dbraw/zinc/84/11/07/1071841107.db2.gz SGNOMDPTNLAXLZ-HNNXBMFYSA-N 1 0 399.517 -0.572 20 0 GBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)cn2)CC1 ZINC001675788233 1071841130 /nfs/dbraw/zinc/84/11/30/1071841130.db2.gz SGNOMDPTNLAXLZ-OAHLLOKOSA-N 1 0 399.517 -0.572 20 0 GBADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC001675791917 1071840907 /nfs/dbraw/zinc/84/09/07/1071840907.db2.gz OOGKFWIZMYMTLB-UHFFFAOYSA-N 1 0 376.483 -0.039 20 0 GBADRO C[C@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001675940704 1071842212 /nfs/dbraw/zinc/84/22/12/1071842212.db2.gz AJUGCKUESCDOJE-ORIJERBGSA-N 1 0 382.461 -0.536 20 0 GBADRO C[C@@H](CCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001675940713 1071842024 /nfs/dbraw/zinc/84/20/24/1071842024.db2.gz AJUGCKUESCDOJE-RZLSGREXSA-N 1 0 382.461 -0.536 20 0 GBADRO C[C@@H](CCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001675941791 1071841928 /nfs/dbraw/zinc/84/19/28/1071841928.db2.gz MNJBBXCXCKDFHP-JHMDWKRSSA-N 1 0 390.484 -0.118 20 0 GBADRO C[C@H](CCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001675941792 1071841784 /nfs/dbraw/zinc/84/17/84/1071841784.db2.gz MNJBBXCXCKDFHP-OWGXSOMWSA-N 1 0 390.484 -0.118 20 0 GBADRO CS(=O)(=O)CCn1cccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1=O ZINC001675947720 1071842637 /nfs/dbraw/zinc/84/26/37/1071842637.db2.gz LWFHDEGKOAFZNP-QWHCGFSZSA-N 1 0 384.458 -0.824 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC001675948788 1071842832 /nfs/dbraw/zinc/84/28/32/1071842832.db2.gz XYUCNTXERPMVAV-UHFFFAOYSA-N 1 0 386.474 -0.529 20 0 GBADRO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001675956212 1071843056 /nfs/dbraw/zinc/84/30/56/1071843056.db2.gz SLOUKOAOYWKZOK-KRWDZBQOSA-N 1 0 384.502 -0.056 20 0 GBADRO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001675956213 1071843077 /nfs/dbraw/zinc/84/30/77/1071843077.db2.gz SLOUKOAOYWKZOK-QGZVFWFLSA-N 1 0 384.502 -0.056 20 0 GBADRO CNC(=O)Cn1nc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1C ZINC001675967327 1071842675 /nfs/dbraw/zinc/84/26/75/1071842675.db2.gz QCXPWYOALCJDPR-SUMWQHHRSA-N 1 0 380.449 -0.715 20 0 GBADRO CC(C)(C)NS(=O)(=O)C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC001676030846 1071843488 /nfs/dbraw/zinc/84/34/88/1071843488.db2.gz KAADUHSVAWVZHJ-CYBMUJFWSA-N 1 0 376.523 -0.007 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@H]3CCCC[N@@H+]3CCO)nnc2c1=O ZINC001676117972 1071845308 /nfs/dbraw/zinc/84/53/08/1071845308.db2.gz NHRFPCHULFPAFJ-CYBMUJFWSA-N 1 0 377.449 -0.884 20 0 GBADRO Cn1ccn2c(CCNC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)nnc2c1=O ZINC001676117973 1071845150 /nfs/dbraw/zinc/84/51/50/1071845150.db2.gz NHRFPCHULFPAFJ-ZDUSSCGKSA-N 1 0 377.449 -0.884 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001676129515 1071844967 /nfs/dbraw/zinc/84/49/67/1071844967.db2.gz NAOGAVGOWSBAHZ-AWEZNQCLSA-N 1 0 375.539 -0.407 20 0 GBADRO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001676129516 1071845405 /nfs/dbraw/zinc/84/54/05/1071845405.db2.gz NAOGAVGOWSBAHZ-CQSZACIVSA-N 1 0 375.539 -0.407 20 0 GBADRO C[C@H]1CN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001676148035 1071845441 /nfs/dbraw/zinc/84/54/41/1071845441.db2.gz POMHVQROTWCMJR-KBPBESRZSA-N 1 0 388.476 -0.415 20 0 GBADRO C[C@@H]1CN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001676148036 1071845617 /nfs/dbraw/zinc/84/56/17/1071845617.db2.gz POMHVQROTWCMJR-KGLIPLIRSA-N 1 0 388.476 -0.415 20 0 GBADRO C[C@H]1CN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001676148137 1071845604 /nfs/dbraw/zinc/84/56/04/1071845604.db2.gz POMHVQROTWCMJR-UONOGXRCSA-N 1 0 388.476 -0.415 20 0 GBADRO C[C@@H]1CN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001676148138 1071845110 /nfs/dbraw/zinc/84/51/10/1071845110.db2.gz POMHVQROTWCMJR-ZIAGYGMSSA-N 1 0 388.476 -0.415 20 0 GBADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001676155544 1071846152 /nfs/dbraw/zinc/84/61/52/1071846152.db2.gz HLIVKRQAADNBSX-CYBMUJFWSA-N 1 0 397.567 -0.631 20 0 GBADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)N=S(C)(C)=O ZINC001676155546 1071846137 /nfs/dbraw/zinc/84/61/37/1071846137.db2.gz HLIVKRQAADNBSX-ZDUSSCGKSA-N 1 0 397.567 -0.631 20 0 GBADRO COc1cc(CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1OCC(N)=O ZINC001676158135 1071847259 /nfs/dbraw/zinc/84/72/59/1071847259.db2.gz SKBMRLZNLKWYNJ-AWEZNQCLSA-N 1 0 393.488 -0.006 20 0 GBADRO COc1cc(CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1OCC(N)=O ZINC001676158136 1071847284 /nfs/dbraw/zinc/84/72/84/1071847284.db2.gz SKBMRLZNLKWYNJ-CQSZACIVSA-N 1 0 393.488 -0.006 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC001676172051 1071847568 /nfs/dbraw/zinc/84/75/68/1071847568.db2.gz UGJFINPZVPJBDA-UHFFFAOYSA-N 1 0 393.366 -0.233 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001676189547 1071847198 /nfs/dbraw/zinc/84/71/98/1071847198.db2.gz UFCFCGZGMAZBMH-UHFFFAOYSA-N 1 0 390.550 -0.357 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001676189735 1071847341 /nfs/dbraw/zinc/84/73/41/1071847341.db2.gz VSKHZLNEYRCWEF-INIZCTEOSA-N 1 0 389.566 -0.015 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001676189736 1071847182 /nfs/dbraw/zinc/84/71/82/1071847182.db2.gz VSKHZLNEYRCWEF-MRXNPFEDSA-N 1 0 389.566 -0.015 20 0 GBADRO CCN1CC[NH+](CCCCNC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001676189792 1071847428 /nfs/dbraw/zinc/84/74/28/1071847428.db2.gz WYSSPCFUCIFUDA-UHFFFAOYSA-N 1 0 378.481 -0.762 20 0 GBADRO CO[C@]1(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CCS(=O)(=O)C1 ZINC001676218958 1071847225 /nfs/dbraw/zinc/84/72/25/1071847225.db2.gz LTULALHLWUWVTG-KRWDZBQOSA-N 1 0 388.534 -0.389 20 0 GBADRO CO[C@@]1(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CCS(=O)(=O)C1 ZINC001676218959 1071847767 /nfs/dbraw/zinc/84/77/67/1071847767.db2.gz LTULALHLWUWVTG-QGZVFWFLSA-N 1 0 388.534 -0.389 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NCC3(S(N)(=O)=O)CC3)ccn2)CC1 ZINC001676244765 1071848810 /nfs/dbraw/zinc/84/88/10/1071848810.db2.gz KCESMOQJOPUQAY-UHFFFAOYSA-N 1 0 382.490 -0.546 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@]3(O)CCS(=O)(=O)C3)ccn2)CC1 ZINC001676245496 1071848384 /nfs/dbraw/zinc/84/83/84/1071848384.db2.gz RQBZBTQOHOOOJZ-KRWDZBQOSA-N 1 0 397.501 -0.818 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@]3(O)CCS(=O)(=O)C3)ccn2)CC1 ZINC001676245497 1071848716 /nfs/dbraw/zinc/84/87/16/1071848716.db2.gz RQBZBTQOHOOOJZ-QGZVFWFLSA-N 1 0 397.501 -0.818 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)NC(C)(C)CNS(C)(=O)=O)ccn2)CC1 ZINC001676245692 1071848253 /nfs/dbraw/zinc/84/82/53/1071848253.db2.gz UKVPIXNCTFUIGZ-UHFFFAOYSA-N 1 0 398.533 -0.040 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(S(N)(=O)=O)CC3)cn2)CC1 ZINC001676325293 1071849437 /nfs/dbraw/zinc/84/94/37/1071849437.db2.gz HKMXPRFYNFJJGT-UHFFFAOYSA-N 1 0 382.490 -0.546 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC(C)(C)CNS(C)(=O)=O)CC1 ZINC001676331417 1071849600 /nfs/dbraw/zinc/84/96/00/1071849600.db2.gz AEMWUWRTGYEEII-UHFFFAOYSA-N 1 0 398.533 -0.040 20 0 GBADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001676338212 1071849467 /nfs/dbraw/zinc/84/94/67/1071849467.db2.gz NSJBRCOMNZEOHG-CVEARBPZSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001676338213 1071849523 /nfs/dbraw/zinc/84/95/23/1071849523.db2.gz NSJBRCOMNZEOHG-HOTGVXAUSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001676338214 1071849501 /nfs/dbraw/zinc/84/95/01/1071849501.db2.gz NSJBRCOMNZEOHG-HZPDHXFCSA-N 1 0 380.489 -0.088 20 0 GBADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001676338215 1071850733 /nfs/dbraw/zinc/85/07/33/1071850733.db2.gz NSJBRCOMNZEOHG-JKSUJKDBSA-N 1 0 380.489 -0.088 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001676338585 1071850705 /nfs/dbraw/zinc/85/07/05/1071850705.db2.gz YEPWDAGILOCUDK-IPYPFGDCSA-N 1 0 384.477 -0.005 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001676338586 1071850541 /nfs/dbraw/zinc/85/05/41/1071850541.db2.gz YEPWDAGILOCUDK-KCQAQPDRSA-N 1 0 384.477 -0.005 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001676338587 1071850884 /nfs/dbraw/zinc/85/08/84/1071850884.db2.gz YEPWDAGILOCUDK-VNHYZAJKSA-N 1 0 384.477 -0.005 20 0 GBADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001676338588 1071850601 /nfs/dbraw/zinc/85/06/01/1071850601.db2.gz YEPWDAGILOCUDK-YDHLFZDLSA-N 1 0 384.477 -0.005 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001676353077 1071850727 /nfs/dbraw/zinc/85/07/27/1071850727.db2.gz NGHWWFCBQNURJO-UHFFFAOYSA-N 1 0 388.494 -0.399 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)CC2)C1 ZINC001676353115 1071850790 /nfs/dbraw/zinc/85/07/90/1071850790.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 0 399.521 -0.729 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)CC2)C1 ZINC001676353116 1071850763 /nfs/dbraw/zinc/85/07/63/1071850763.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 0 399.521 -0.729 20 0 GBADRO O=C(NCC[NH+]1CCC(O)CC1)NCCS(=O)(=O)NCc1ccccc1 ZINC001676353555 1071850333 /nfs/dbraw/zinc/85/03/33/1071850333.db2.gz FVNFIOGTULYCLO-UHFFFAOYSA-N 1 0 384.502 -0.138 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001676451292 1071851768 /nfs/dbraw/zinc/85/17/68/1071851768.db2.gz ASHKUCLAXTVDFX-UHFFFAOYSA-N 1 0 390.554 -0.760 20 0 GBADRO CC(C)[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)[NH+]1CCN(C)CC1 ZINC001676456865 1071851471 /nfs/dbraw/zinc/85/14/71/1071851471.db2.gz AUEVIQXSCBYDQK-INIZCTEOSA-N 1 0 394.524 -0.272 20 0 GBADRO CC(C)[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)[NH+]1CCN(C)CC1 ZINC001676456868 1071852712 /nfs/dbraw/zinc/85/27/12/1071852712.db2.gz AUEVIQXSCBYDQK-MRXNPFEDSA-N 1 0 394.524 -0.272 20 0 GBADRO CC(C)[C@@H](CNC(=O)NCc1nnc2n1CCNC2=O)[NH+]1CCN(C)CC1 ZINC001676466749 1071852470 /nfs/dbraw/zinc/85/24/70/1071852470.db2.gz UFNJITIDDDOBKE-CYBMUJFWSA-N 1 0 378.481 -0.907 20 0 GBADRO CC(C)[C@H](CNC(=O)NCc1nnc2n1CCNC2=O)[NH+]1CCN(C)CC1 ZINC001676466750 1071852383 /nfs/dbraw/zinc/85/23/83/1071852383.db2.gz UFNJITIDDDOBKE-ZDUSSCGKSA-N 1 0 378.481 -0.907 20 0 GBADRO CCS(=O)(=O)NCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001676531843 1071852727 /nfs/dbraw/zinc/85/27/27/1071852727.db2.gz ONCJBHRTXYZZDA-UHFFFAOYSA-N 1 0 389.522 -0.559 20 0 GBADRO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001676533818 1071852677 /nfs/dbraw/zinc/85/26/77/1071852677.db2.gz HJDSEXOGLGAUJX-KRWDZBQOSA-N 1 0 382.486 -0.105 20 0 GBADRO O=C(NC[C@]1(O)CCS(=O)(=O)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001676533819 1071852831 /nfs/dbraw/zinc/85/28/31/1071852831.db2.gz HJDSEXOGLGAUJX-QGZVFWFLSA-N 1 0 382.486 -0.105 20 0 GBADRO CC1(C)NC(=O)N(CC[NH2+][C@H](CO)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1=O ZINC001676534544 1071852312 /nfs/dbraw/zinc/85/23/12/1071852312.db2.gz CGQBNHRSWOXADC-CBBWQLFWSA-N 1 0 378.473 -0.014 20 0 GBADRO CC1(C)NC(=O)N(CC[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1=O ZINC001676534545 1071852179 /nfs/dbraw/zinc/85/21/79/1071852179.db2.gz CGQBNHRSWOXADC-LXTVHRRPSA-N 1 0 378.473 -0.014 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001676545300 1071852689 /nfs/dbraw/zinc/85/26/89/1071852689.db2.gz GXOYUKJNZNLGMK-IYJVBRSBSA-N 1 0 388.538 -0.152 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001676545307 1071852135 /nfs/dbraw/zinc/85/21/35/1071852135.db2.gz GXOYUKJNZNLGMK-PTFIGZPYSA-N 1 0 388.538 -0.152 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001676545310 1071852231 /nfs/dbraw/zinc/85/22/31/1071852231.db2.gz GXOYUKJNZNLGMK-RMKBEBRYSA-N 1 0 388.538 -0.152 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001676545314 1071852268 /nfs/dbraw/zinc/85/22/68/1071852268.db2.gz GXOYUKJNZNLGMK-RXBISOJRSA-N 1 0 388.538 -0.152 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001676546215 1071852113 /nfs/dbraw/zinc/85/21/13/1071852113.db2.gz KJDWMADJDCFNHE-CYBMUJFWSA-N 1 0 389.522 -0.561 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001676546217 1071852643 /nfs/dbraw/zinc/85/26/43/1071852643.db2.gz KJDWMADJDCFNHE-ZDUSSCGKSA-N 1 0 389.522 -0.561 20 0 GBADRO O=C(NC[C@H](CO)[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676555595 1071853493 /nfs/dbraw/zinc/85/34/93/1071853493.db2.gz WRYIJBBCJLCGRF-IQVDAOPISA-N 1 0 398.463 -0.113 20 0 GBADRO O=C(NC[C@@H](CO)[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676555596 1071853409 /nfs/dbraw/zinc/85/34/09/1071853409.db2.gz WRYIJBBCJLCGRF-KVGGFXGBSA-N 1 0 398.463 -0.113 20 0 GBADRO NC(=O)c1cccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001676560187 1071853761 /nfs/dbraw/zinc/85/37/61/1071853761.db2.gz QDMNYQVFDFZMMJ-LUKYLMHMSA-N 1 0 377.441 -0.596 20 0 GBADRO NC(=O)c1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001676560188 1071853440 /nfs/dbraw/zinc/85/34/40/1071853440.db2.gz QDMNYQVFDFZMMJ-VVLHAWIVSA-N 1 0 377.441 -0.596 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC001676578317 1071853443 /nfs/dbraw/zinc/85/34/43/1071853443.db2.gz ILHKLKZBSRSSNS-HNNXBMFYSA-N 1 0 392.522 -0.553 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC001676578318 1071853909 /nfs/dbraw/zinc/85/39/09/1071853909.db2.gz ILHKLKZBSRSSNS-OAHLLOKOSA-N 1 0 392.522 -0.553 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1 ZINC001676578801 1071853446 /nfs/dbraw/zinc/85/34/46/1071853446.db2.gz QNIZDSSGQMVHTH-XHSDSOJGSA-N 1 0 389.518 -0.059 20 0 GBADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O ZINC001676583866 1071853918 /nfs/dbraw/zinc/85/39/18/1071853918.db2.gz OBNYGLCOLJOAKO-DGAVXFQQSA-N 1 0 382.461 -0.659 20 0 GBADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O ZINC001676583867 1071853751 /nfs/dbraw/zinc/85/37/51/1071853751.db2.gz OBNYGLCOLJOAKO-SYQHCUMBSA-N 1 0 382.461 -0.659 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001676586086 1071853354 /nfs/dbraw/zinc/85/33/54/1071853354.db2.gz ANYOEOZSBUJSKB-CYBMUJFWSA-N 1 0 379.465 -0.578 20 0 GBADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001676586087 1071853394 /nfs/dbraw/zinc/85/33/94/1071853394.db2.gz ANYOEOZSBUJSKB-ZDUSSCGKSA-N 1 0 379.465 -0.578 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@H+](C)C1 ZINC001676588003 1071853944 /nfs/dbraw/zinc/85/39/44/1071853944.db2.gz NEIJCFPVDRXADR-CHWSQXEVSA-N 1 0 378.433 -0.493 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@H+](C)C1 ZINC001676588015 1071853424 /nfs/dbraw/zinc/85/34/24/1071853424.db2.gz NEIJCFPVDRXADR-OLZOCXBDSA-N 1 0 378.433 -0.493 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@H+](C)C1 ZINC001676588018 1071853801 /nfs/dbraw/zinc/85/38/01/1071853801.db2.gz NEIJCFPVDRXADR-QWHCGFSZSA-N 1 0 378.433 -0.493 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC[N@H+](C)C1 ZINC001676588020 1071853641 /nfs/dbraw/zinc/85/36/41/1071853641.db2.gz NEIJCFPVDRXADR-STQMWFEESA-N 1 0 378.433 -0.493 20 0 GBADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(O)(C(N)=O)CC3)cc2)CC1 ZINC001676607123 1071853456 /nfs/dbraw/zinc/85/34/56/1071853456.db2.gz YITXEYAILBXOEQ-UHFFFAOYSA-N 1 0 389.500 -0.044 20 0 GBADRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2nnc3n2CCNC3=O)cc1 ZINC001676619636 1071854493 /nfs/dbraw/zinc/85/44/93/1071854493.db2.gz UBLCTLOWTSUHGS-UHFFFAOYSA-N 1 0 387.444 -0.039 20 0 GBADRO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001676620034 1071854726 /nfs/dbraw/zinc/85/47/26/1071854726.db2.gz XYPBYZNUJYACKO-KRWDZBQOSA-N 1 0 385.486 -0.024 20 0 GBADRO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001676620035 1071854724 /nfs/dbraw/zinc/85/47/24/1071854724.db2.gz XYPBYZNUJYACKO-QGZVFWFLSA-N 1 0 385.486 -0.024 20 0 GBADRO C[NH+]1CCN(c2cc(CNC(=O)N(CCO)CCOCCO)ccn2)CC1 ZINC001676656152 1071855474 /nfs/dbraw/zinc/85/54/74/1071855474.db2.gz HQJAJMUCBZQWIG-UHFFFAOYSA-N 1 0 381.477 -0.654 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC[N@H+](C)C1 ZINC001676741639 1071855603 /nfs/dbraw/zinc/85/56/03/1071855603.db2.gz SLQDYYDASZVQLF-JTQLQIEISA-N 1 0 390.487 -0.358 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC[N@H+](C)C1 ZINC001676741640 1071855380 /nfs/dbraw/zinc/85/53/80/1071855380.db2.gz SLQDYYDASZVQLF-SNVBAGLBSA-N 1 0 390.487 -0.358 20 0 GBADRO C[NH+]1CCN(c2ccc(CNC(=O)N(CCO)CCOCCO)cn2)CC1 ZINC001676746532 1071855448 /nfs/dbraw/zinc/85/54/48/1071855448.db2.gz FEKRKPRAZACSHU-UHFFFAOYSA-N 1 0 381.477 -0.654 20 0 GBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001676757087 1071855505 /nfs/dbraw/zinc/85/55/05/1071855505.db2.gz WPDRKVSSABESCQ-UHFFFAOYSA-N 1 0 399.459 -0.409 20 0 GBADRO CN1CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC[N@H+](C)CC1 ZINC001676804838 1071856217 /nfs/dbraw/zinc/85/62/17/1071856217.db2.gz OHSDWBVKBQOQOM-AWEZNQCLSA-N 1 0 384.506 -0.046 20 0 GBADRO CN1CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC[N@H+](C)CC1 ZINC001676804839 1071856407 /nfs/dbraw/zinc/85/64/07/1071856407.db2.gz OHSDWBVKBQOQOM-CQSZACIVSA-N 1 0 384.506 -0.046 20 0 GBADRO CNS(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)nc1 ZINC001676810784 1071856504 /nfs/dbraw/zinc/85/65/04/1071856504.db2.gz RNTWSEXCGYORLR-BLLLJJGKSA-N 1 0 399.473 -0.663 20 0 GBADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001676841849 1071857079 /nfs/dbraw/zinc/85/70/79/1071857079.db2.gz WXTRKAINPNWRTN-BETUJISGSA-N 1 0 377.449 -0.274 20 0 GBADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@@H](C)O1 ZINC001676841851 1071857348 /nfs/dbraw/zinc/85/73/48/1071857348.db2.gz WXTRKAINPNWRTN-CHWSQXEVSA-N 1 0 377.449 -0.274 20 0 GBADRO C[C@H]1C[NH+](CCCNC(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001676841853 1071857394 /nfs/dbraw/zinc/85/73/94/1071857394.db2.gz WXTRKAINPNWRTN-STQMWFEESA-N 1 0 377.449 -0.274 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCC(=O)N2CCOCC2)(N2CCOCC2)CC1 ZINC001676846510 1071857204 /nfs/dbraw/zinc/85/72/04/1071857204.db2.gz YFSCZTCWAYUJKO-UHFFFAOYSA-N 1 0 397.520 -0.669 20 0 GBADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001676863274 1071857409 /nfs/dbraw/zinc/85/74/09/1071857409.db2.gz WSOUKUYEAKMNID-UHFFFAOYSA-N 1 0 397.567 -0.631 20 0 GBADRO C[C@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)N1CC[NH+](C)CC1 ZINC001676865602 1071857416 /nfs/dbraw/zinc/85/74/16/1071857416.db2.gz MFGHTSXGGSEJGK-CYBMUJFWSA-N 1 0 378.481 -0.641 20 0 GBADRO C[C@@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)N1CC[NH+](C)CC1 ZINC001676865603 1071857470 /nfs/dbraw/zinc/85/74/70/1071857470.db2.gz MFGHTSXGGSEJGK-ZDUSSCGKSA-N 1 0 378.481 -0.641 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@H](O)CS(C)(=O)=O)cc2)CC1 ZINC001676882182 1071857444 /nfs/dbraw/zinc/85/74/44/1071857444.db2.gz SMDFTGCPQOCFLQ-KRWDZBQOSA-N 1 0 398.529 -0.314 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@H](O)CS(C)(=O)=O)cc2)CC1 ZINC001676882183 1071857433 /nfs/dbraw/zinc/85/74/33/1071857433.db2.gz SMDFTGCPQOCFLQ-QGZVFWFLSA-N 1 0 398.529 -0.314 20 0 GBADRO O=C(NCc1nnc2n1CCNC2=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001677025464 1071858027 /nfs/dbraw/zinc/85/80/27/1071858027.db2.gz ZOTMPBNVJZANPW-UHFFFAOYSA-N 1 0 384.444 -0.120 20 0 GBADRO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001677031698 1071858889 /nfs/dbraw/zinc/85/88/89/1071858889.db2.gz GDXVAQJLGOPTOE-CZUORRHYSA-N 1 0 384.477 -0.194 20 0 GBADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677099265 1071859645 /nfs/dbraw/zinc/85/96/45/1071859645.db2.gz JQIPPPNVTUQCNF-LNORHHCFSA-N 1 0 391.472 -0.203 20 0 GBADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677099266 1071859823 /nfs/dbraw/zinc/85/98/23/1071859823.db2.gz JQIPPPNVTUQCNF-YQBONMRBSA-N 1 0 391.472 -0.203 20 0 GBADRO CN(C[C@H](O)C[NH2+]Cc1cc2n(n1)CCC2)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001677099283 1071860064 /nfs/dbraw/zinc/86/00/64/1071860064.db2.gz JXMPGRWGFACHEG-HNONPPJISA-N 1 0 378.473 -0.210 20 0 GBADRO CN(C[C@@H](O)C[NH2+]Cc1cc2n(n1)CCC2)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001677099284 1071859700 /nfs/dbraw/zinc/85/97/00/1071859700.db2.gz JXMPGRWGFACHEG-XDKFSHSGSA-N 1 0 378.473 -0.210 20 0 GBADRO Cc1nnc(NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001677100398 1071860141 /nfs/dbraw/zinc/86/01/41/1071860141.db2.gz ZKGDYYWLFUBGRI-JWOJSXKRSA-N 1 0 395.485 -0.383 20 0 GBADRO Cc1nnc(NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001677100401 1071859712 /nfs/dbraw/zinc/85/97/12/1071859712.db2.gz ZKGDYYWLFUBGRI-VPLWTHEFSA-N 1 0 395.485 -0.383 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC001677101449 1071860097 /nfs/dbraw/zinc/86/00/97/1071860097.db2.gz GYYSPXBFILXRGB-HNNXBMFYSA-N 1 0 390.550 -0.360 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC001677102672 1071859564 /nfs/dbraw/zinc/85/95/64/1071859564.db2.gz YNFIFLLYYHVUAT-UHFFFAOYSA-N 1 0 376.523 -0.749 20 0 GBADRO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1C[N@H+](C)CCN1C ZINC001677145393 1071859550 /nfs/dbraw/zinc/85/95/50/1071859550.db2.gz NEBARFLTANLXHW-CMPLNLGQSA-N 1 0 375.520 -0.171 20 0 GBADRO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1C[N@H+](C)CCN1C ZINC001677145394 1071860008 /nfs/dbraw/zinc/86/00/08/1071860008.db2.gz NEBARFLTANLXHW-JQWIXIFHSA-N 1 0 375.520 -0.171 20 0 GBADRO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1C[N@H+](C)CCN1C ZINC001677145395 1071859580 /nfs/dbraw/zinc/85/95/80/1071859580.db2.gz NEBARFLTANLXHW-PWSUYJOCSA-N 1 0 375.520 -0.171 20 0 GBADRO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1C[N@H+](C)CCN1C ZINC001677145396 1071859607 /nfs/dbraw/zinc/85/96/07/1071859607.db2.gz NEBARFLTANLXHW-ZYHUDNBSSA-N 1 0 375.520 -0.171 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001677149337 1071860962 /nfs/dbraw/zinc/86/09/62/1071860962.db2.gz XJNQCBZNRMUAIL-KBPBESRZSA-N 1 0 375.495 -0.923 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001677149338 1071860779 /nfs/dbraw/zinc/86/07/79/1071860779.db2.gz XJNQCBZNRMUAIL-KGLIPLIRSA-N 1 0 375.495 -0.923 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001677149339 1071860720 /nfs/dbraw/zinc/86/07/20/1071860720.db2.gz XJNQCBZNRMUAIL-UONOGXRCSA-N 1 0 375.495 -0.923 20 0 GBADRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001677149340 1071861044 /nfs/dbraw/zinc/86/10/44/1071861044.db2.gz XJNQCBZNRMUAIL-ZIAGYGMSSA-N 1 0 375.495 -0.923 20 0 GBADRO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCC[NH+]1CCC(O)CC1 ZINC001677150074 1071861257 /nfs/dbraw/zinc/86/12/57/1071861257.db2.gz UMOFRXYRBBBMHH-UHFFFAOYSA-N 1 0 381.477 -0.003 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1COCC[C@H]1O ZINC001677157053 1071861005 /nfs/dbraw/zinc/86/10/05/1071861005.db2.gz CILZKLARRRPANS-HZPDHXFCSA-N 1 0 378.477 -0.172 20 0 GBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001677157562 1071861109 /nfs/dbraw/zinc/86/11/09/1071861109.db2.gz HBBWWGDBWDSGCJ-AWEZNQCLSA-N 1 0 376.523 -0.485 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001677157563 1071861292 /nfs/dbraw/zinc/86/12/92/1071861292.db2.gz HBBWWGDBWDSGCJ-CQSZACIVSA-N 1 0 376.523 -0.485 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001677157857 1071860609 /nfs/dbraw/zinc/86/06/09/1071860609.db2.gz LISXPVMJDCITGM-BFYDXBDKSA-N 1 0 388.534 -0.342 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001677157858 1071861225 /nfs/dbraw/zinc/86/12/25/1071861225.db2.gz LISXPVMJDCITGM-HLLBOEOZSA-N 1 0 388.534 -0.342 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001677157859 1071860802 /nfs/dbraw/zinc/86/08/02/1071860802.db2.gz LISXPVMJDCITGM-INMHGKMJSA-N 1 0 388.534 -0.342 20 0 GBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001677157860 1071860930 /nfs/dbraw/zinc/86/09/30/1071860930.db2.gz LISXPVMJDCITGM-VYDXJSESSA-N 1 0 388.534 -0.342 20 0 GBADRO CC(C)NC(=O)NCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677164543 1071861335 /nfs/dbraw/zinc/86/13/35/1071861335.db2.gz IMGVCYNCUKQQAK-JHMPBIJASA-N 1 0 382.505 -0.132 20 0 GBADRO CC(C)NC(=O)NCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677164544 1071861128 /nfs/dbraw/zinc/86/11/28/1071861128.db2.gz IMGVCYNCUKQQAK-NEXGVSGLSA-N 1 0 382.505 -0.132 20 0 GBADRO CN(C[C@H](O)C[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001677173717 1071860684 /nfs/dbraw/zinc/86/06/84/1071860684.db2.gz BIPMHWNRXBAIJD-TUVASFSCSA-N 1 0 382.461 -0.753 20 0 GBADRO CN(C[C@@H](O)C[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001677173718 1071861202 /nfs/dbraw/zinc/86/12/02/1071861202.db2.gz BIPMHWNRXBAIJD-YJNKXOJESA-N 1 0 382.461 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O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677377451 1071863079 /nfs/dbraw/zinc/86/30/79/1071863079.db2.gz JVQIHEOPINSFLY-HUUCEWRRSA-N 1 0 393.492 -0.138 20 0 GBADRO O=C(NCc1nc([C@H]2CCCO2)n[nH]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677377452 1071862902 /nfs/dbraw/zinc/86/29/02/1071862902.db2.gz JVQIHEOPINSFLY-LSDHHAIUSA-N 1 0 393.492 -0.138 20 0 GBADRO CCN(CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001677432814 1071863638 /nfs/dbraw/zinc/86/36/38/1071863638.db2.gz DFSIAOJDMBYQGL-GOEBONIOSA-N 1 0 392.522 -0.817 20 0 GBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001677437151 1071863617 /nfs/dbraw/zinc/86/36/17/1071863617.db2.gz XZWYKAUOHIIZNB-SOUVJXGZSA-N 1 0 385.509 -0.241 20 0 GBADRO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001677443100 1071863819 /nfs/dbraw/zinc/86/38/19/1071863819.db2.gz WJNOLCRQZJZCOU-CQSZACIVSA-N 1 0 399.492 -0.569 20 0 GBADRO CCS(=O)(=O)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001677457274 1071863676 /nfs/dbraw/zinc/86/36/76/1071863676.db2.gz KXBQGCKZUFLMNF-HNNXBMFYSA-N 1 0 390.550 -0.095 20 0 GBADRO CCS(=O)(=O)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001677457275 1071863999 /nfs/dbraw/zinc/86/39/99/1071863999.db2.gz KXBQGCKZUFLMNF-OAHLLOKOSA-N 1 0 390.550 -0.095 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)[C@H](C)C1 ZINC001677465133 1071864522 /nfs/dbraw/zinc/86/45/22/1071864522.db2.gz KFYOAVXGQKZYOF-ILXRZTDVSA-N 1 0 379.523 -0.172 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)[C@H](C)C1 ZINC001677465134 1071864740 /nfs/dbraw/zinc/86/47/40/1071864740.db2.gz KFYOAVXGQKZYOF-KFWWJZLASA-N 1 0 379.523 -0.172 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)[C@@H](C)C1 ZINC001677465135 1071864784 /nfs/dbraw/zinc/86/47/84/1071864784.db2.gz KFYOAVXGQKZYOF-KKUMJFAQSA-N 1 0 379.523 -0.172 20 0 GBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)[C@@H](C)C1 ZINC001677465136 1071864439 /nfs/dbraw/zinc/86/44/39/1071864439.db2.gz KFYOAVXGQKZYOF-ZNMIVQPWSA-N 1 0 379.523 -0.172 20 0 GBADRO CN(CCOCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677502449 1071865053 /nfs/dbraw/zinc/86/50/53/1071865053.db2.gz XPXPFVIPEDXZIJ-JHMPBIJASA-N 1 0 386.514 -0.091 20 0 GBADRO CN(CCOCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001677502450 1071864916 /nfs/dbraw/zinc/86/49/16/1071864916.db2.gz XPXPFVIPEDXZIJ-NEXGVSGLSA-N 1 0 386.514 -0.091 20 0 GBADRO C[C@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)C[NH+]1CCN(C)CC1 ZINC001677507954 1071865004 /nfs/dbraw/zinc/86/50/04/1071865004.db2.gz CHZLIEZTNIJXEK-CYBMUJFWSA-N 1 0 378.477 -0.062 20 0 GBADRO C[C@@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)C[NH+]1CCN(C)CC1 ZINC001677507955 1071864886 /nfs/dbraw/zinc/86/48/86/1071864886.db2.gz CHZLIEZTNIJXEK-ZDUSSCGKSA-N 1 0 378.477 -0.062 20 0 GBADRO C[C@@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C[NH+]1CCN(C)CC1 ZINC001677508974 1071864859 /nfs/dbraw/zinc/86/48/59/1071864859.db2.gz LIIJETHBTJPUFC-AWEZNQCLSA-N 1 0 392.508 -0.393 20 0 GBADRO C[C@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C[NH+]1CCN(C)CC1 ZINC001677508977 1071864449 /nfs/dbraw/zinc/86/44/49/1071864449.db2.gz LIIJETHBTJPUFC-CQSZACIVSA-N 1 0 392.508 -0.393 20 0 GBADRO C[C@H](CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CN1CC[NH+](C)CC1 ZINC001677510068 1071865027 /nfs/dbraw/zinc/86/50/27/1071865027.db2.gz SRVDDPGVGWOSNW-CYBMUJFWSA-N 1 0 397.567 -0.774 20 0 GBADRO C[C@@H](CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CN1CC[NH+](C)CC1 ZINC001677510069 1071864930 /nfs/dbraw/zinc/86/49/30/1071864930.db2.gz SRVDDPGVGWOSNW-ZDUSSCGKSA-N 1 0 397.567 -0.774 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCCS(C)(=O)=O)(N2CCOCC2)CC1 ZINC001677532103 1071864963 /nfs/dbraw/zinc/86/49/63/1071864963.db2.gz RVYQWBBQJUWHSL-UHFFFAOYSA-N 1 0 376.523 -0.483 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)CC(N)=O)CC2)CC[N@@H+]1C ZINC001677656981 1071866449 /nfs/dbraw/zinc/86/64/49/1071866449.db2.gz RZHVOVSEGCUZDI-DRRHNWJESA-N 1 0 380.489 -0.286 20 0 GBADRO Cn1nnnc1C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001677657766 1071866495 /nfs/dbraw/zinc/86/64/95/1071866495.db2.gz TXZHZJNPBVEJLQ-AWEZNQCLSA-N 1 0 378.481 -0.314 20 0 GBADRO Cn1nnnc1C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001677657767 1071866556 /nfs/dbraw/zinc/86/65/56/1071866556.db2.gz TXZHZJNPBVEJLQ-CQSZACIVSA-N 1 0 378.481 -0.314 20 0 GBADRO CN(C)S(=O)(=O)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001677658040 1071866617 /nfs/dbraw/zinc/86/66/17/1071866617.db2.gz YTYHVMQFOUQCNE-CYBMUJFWSA-N 1 0 389.522 -0.703 20 0 GBADRO CN(C)S(=O)(=O)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001677658041 1071866579 /nfs/dbraw/zinc/86/65/79/1071866579.db2.gz YTYHVMQFOUQCNE-ZDUSSCGKSA-N 1 0 389.522 -0.703 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001677660851 1071866248 /nfs/dbraw/zinc/86/62/48/1071866248.db2.gz BKLLHIBAGXDEHW-KBPBESRZSA-N 1 0 391.476 -0.353 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001677660852 1071866537 /nfs/dbraw/zinc/86/65/37/1071866537.db2.gz BKLLHIBAGXDEHW-KGLIPLIRSA-N 1 0 391.476 -0.353 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001677660853 1071866508 /nfs/dbraw/zinc/86/65/08/1071866508.db2.gz BKLLHIBAGXDEHW-UONOGXRCSA-N 1 0 391.476 -0.353 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001677660854 1071866322 /nfs/dbraw/zinc/86/63/22/1071866322.db2.gz BKLLHIBAGXDEHW-ZIAGYGMSSA-N 1 0 391.476 -0.353 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](CO)C1 ZINC001677661281 1071866629 /nfs/dbraw/zinc/86/66/29/1071866629.db2.gz IGBCKVTZYDXTRH-KFWWJZLASA-N 1 0 399.492 -0.678 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001677661282 1071866711 /nfs/dbraw/zinc/86/67/11/1071866711.db2.gz IGBCKVTZYDXTRH-RBSFLKMASA-N 1 0 399.492 -0.678 20 0 GBADRO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC001677661283 1071866610 /nfs/dbraw/zinc/86/66/10/1071866610.db2.gz IGBCKVTZYDXTRH-RRFJBIMHSA-N 1 0 399.492 -0.678 20 0 GBADRO CCOC(=O)N1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H](CO)C1 ZINC001677661284 1071866460 /nfs/dbraw/zinc/86/64/60/1071866460.db2.gz IGBCKVTZYDXTRH-ZNMIVQPWSA-N 1 0 399.492 -0.678 20 0 GBADRO CN1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001677671775 1071866376 /nfs/dbraw/zinc/86/63/76/1071866376.db2.gz XMTRXZUTNDTTKP-UHFFFAOYSA-N 1 0 397.567 -0.629 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCC(O)(C(N)=O)CC2)CC1 ZINC001677696815 1071866567 /nfs/dbraw/zinc/86/65/67/1071866567.db2.gz NBXNZYGNDDQTQM-UHFFFAOYSA-N 1 0 376.461 -0.645 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001677750180 1071867379 /nfs/dbraw/zinc/86/73/79/1071867379.db2.gz FDOAQFDYVOAYAG-AWEZNQCLSA-N 1 0 397.501 -0.274 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001677750181 1071867265 /nfs/dbraw/zinc/86/72/65/1071867265.db2.gz FDOAQFDYVOAYAG-CQSZACIVSA-N 1 0 397.501 -0.274 20 0 GBADRO COCC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CC1 ZINC001677751953 1071867522 /nfs/dbraw/zinc/86/75/22/1071867522.db2.gz HRHUFLOZITZSJP-AWEZNQCLSA-N 1 0 378.495 -0.943 20 0 GBADRO COCC[NH+]1CCC(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CC1 ZINC001677751954 1071867659 /nfs/dbraw/zinc/86/76/59/1071867659.db2.gz HRHUFLOZITZSJP-CQSZACIVSA-N 1 0 378.495 -0.943 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC001677880392 1071868202 /nfs/dbraw/zinc/86/82/02/1071868202.db2.gz CAHJZCRLQJPVSO-CABCVRRESA-N 1 0 383.493 -0.836 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1 ZINC001677880394 1071868683 /nfs/dbraw/zinc/86/86/83/1071868683.db2.gz CAHJZCRLQJPVSO-GJZGRUSLSA-N 1 0 383.493 -0.836 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC001677880397 1071868560 /nfs/dbraw/zinc/86/85/60/1071868560.db2.gz CAHJZCRLQJPVSO-HUUCEWRRSA-N 1 0 383.493 -0.836 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1 ZINC001677880399 1071868615 /nfs/dbraw/zinc/86/86/15/1071868615.db2.gz CAHJZCRLQJPVSO-LSDHHAIUSA-N 1 0 383.493 -0.836 20 0 GBADRO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001677891217 1071868120 /nfs/dbraw/zinc/86/81/20/1071868120.db2.gz OAKAKWVVIMSHEA-QLFBSQMISA-N 1 0 384.477 -0.194 20 0 GBADRO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001677891218 1071868635 /nfs/dbraw/zinc/86/86/35/1071868635.db2.gz OAKAKWVVIMSHEA-RBSFLKMASA-N 1 0 384.477 -0.194 20 0 GBADRO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)cn1 ZINC001677957950 1071869261 /nfs/dbraw/zinc/86/92/61/1071869261.db2.gz ZJCSDUKJKWXVFH-CJNGLKHVSA-N 1 0 396.517 -0.081 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H](O)CS(C)(=O)=O)CC1 ZINC001678018306 1071869827 /nfs/dbraw/zinc/86/98/27/1071869827.db2.gz CIQRRRFECINFKW-AWEZNQCLSA-N 1 0 385.490 -0.962 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H](O)CS(C)(=O)=O)CC1 ZINC001678018307 1071869908 /nfs/dbraw/zinc/86/99/08/1071869908.db2.gz CIQRRRFECINFKW-CQSZACIVSA-N 1 0 385.490 -0.962 20 0 GBADRO NC(=O)c1cccc(CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001678036445 1071870100 /nfs/dbraw/zinc/87/01/00/1071870100.db2.gz XMYAJJAOKVHWEX-QFBILLFUSA-N 1 0 376.457 -0.147 20 0 GBADRO CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001678051058 1071869994 /nfs/dbraw/zinc/86/99/94/1071869994.db2.gz RUXXTAMSEYDKPR-UHFFFAOYSA-N 1 0 387.510 -0.163 20 0 GBADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@H](O)CS(C)(=O)=O)CC2)CC1 ZINC001678101170 1071870744 /nfs/dbraw/zinc/87/07/44/1071870744.db2.gz JDXDBQHHJOKPGO-HNNXBMFYSA-N 1 0 376.523 -0.750 20 0 GBADRO CN1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)CS(C)(=O)=O)CC2)CC1 ZINC001678101171 1071870730 /nfs/dbraw/zinc/87/07/30/1071870730.db2.gz JDXDBQHHJOKPGO-OAHLLOKOSA-N 1 0 376.523 -0.750 20 0 GBADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001678101398 1071871081 /nfs/dbraw/zinc/87/10/81/1071871081.db2.gz KARAKOPNKVPAOV-CYBMUJFWSA-N 1 0 390.893 -0.016 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001678208566 1071870869 /nfs/dbraw/zinc/87/08/69/1071870869.db2.gz KUUKUGBXDPBBPH-KBXCAEBGSA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001678208567 1071871016 /nfs/dbraw/zinc/87/10/16/1071871016.db2.gz KUUKUGBXDPBBPH-KDOFPFPSSA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001678208568 1071870798 /nfs/dbraw/zinc/87/07/98/1071870798.db2.gz KUUKUGBXDPBBPH-KSSFIOAISA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001678208569 1071870757 /nfs/dbraw/zinc/87/07/57/1071870757.db2.gz KUUKUGBXDPBBPH-RDTXWAMCSA-N 1 0 397.476 -0.551 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001678208848 1071870918 /nfs/dbraw/zinc/87/09/18/1071870918.db2.gz RJBDLTOEXVLVGY-KBPBESRZSA-N 1 0 389.522 -0.751 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001678208849 1071870717 /nfs/dbraw/zinc/87/07/17/1071870717.db2.gz RJBDLTOEXVLVGY-KGLIPLIRSA-N 1 0 389.522 -0.751 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001678208850 1071870687 /nfs/dbraw/zinc/87/06/87/1071870687.db2.gz RJBDLTOEXVLVGY-UONOGXRCSA-N 1 0 389.522 -0.751 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001678208851 1071871891 /nfs/dbraw/zinc/87/18/91/1071871891.db2.gz RJBDLTOEXVLVGY-ZIAGYGMSSA-N 1 0 389.522 -0.751 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)c2ccccc2)CC1 ZINC001678221683 1071871979 /nfs/dbraw/zinc/87/19/79/1071871979.db2.gz DHXPDIRMSHVABT-DLBZAZTESA-N 1 0 398.529 -0.320 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)c2ccccc2)CC1 ZINC001678221688 1071871911 /nfs/dbraw/zinc/87/19/11/1071871911.db2.gz DHXPDIRMSHVABT-IAGOWNOFSA-N 1 0 398.529 -0.320 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)c2ccccc2)CC1 ZINC001678221689 1071871972 /nfs/dbraw/zinc/87/19/72/1071871972.db2.gz DHXPDIRMSHVABT-IRXDYDNUSA-N 1 0 398.529 -0.320 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)c2ccccc2)CC1 ZINC001678221690 1071871877 /nfs/dbraw/zinc/87/18/77/1071871877.db2.gz DHXPDIRMSHVABT-SJORKVTESA-N 1 0 398.529 -0.320 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)c2ccccc2)CC1 ZINC001678223881 1071872045 /nfs/dbraw/zinc/87/20/45/1071872045.db2.gz ZSYAZPZPRILQPP-KRWDZBQOSA-N 1 0 389.500 -0.003 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)c2ccccc2)CC1 ZINC001678223882 1071871996 /nfs/dbraw/zinc/87/19/96/1071871996.db2.gz ZSYAZPZPRILQPP-QGZVFWFLSA-N 1 0 389.500 -0.003 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2(S(N)(=O)=O)CC2)c1 ZINC001678232799 1071872076 /nfs/dbraw/zinc/87/20/76/1071872076.db2.gz HNNZMKPOTKKKBK-UHFFFAOYSA-N 1 0 397.501 -0.402 20 0 GBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC(O)(C(N)=O)CC3)c2)CC1 ZINC001678233128 1071872026 /nfs/dbraw/zinc/87/20/26/1071872026.db2.gz LUTPZDUURVTTGV-UHFFFAOYSA-N 1 0 389.500 -0.044 20 0 GBADRO COCCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001678233845 1071871777 /nfs/dbraw/zinc/87/17/77/1071871777.db2.gz ZXTRJSVYEKMDNQ-UHFFFAOYSA-N 1 0 398.551 -0.156 20 0 GBADRO O=C(NCc1nnnn1C1CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001678292757 1071872856 /nfs/dbraw/zinc/87/28/56/1071872856.db2.gz MLIFPSWJLDBLSD-AWEZNQCLSA-N 1 0 378.481 -0.396 20 0 GBADRO O=C(NCc1nnnn1C1CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001678292758 1071872840 /nfs/dbraw/zinc/87/28/40/1071872840.db2.gz MLIFPSWJLDBLSD-CQSZACIVSA-N 1 0 378.481 -0.396 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001678298527 1071872958 /nfs/dbraw/zinc/87/29/58/1071872958.db2.gz TVZUGWKPVHAQQU-HNNXBMFYSA-N 1 0 398.508 -0.732 20 0 GBADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001678298528 1071872705 /nfs/dbraw/zinc/87/27/05/1071872705.db2.gz TVZUGWKPVHAQQU-OAHLLOKOSA-N 1 0 398.508 -0.732 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001678298911 1071872871 /nfs/dbraw/zinc/87/28/71/1071872871.db2.gz YXIXHTJSFDCEQV-CYBMUJFWSA-N 1 0 391.538 -0.444 20 0 GBADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001678298923 1071872909 /nfs/dbraw/zinc/87/29/09/1071872909.db2.gz YXIXHTJSFDCEQV-ZDUSSCGKSA-N 1 0 391.538 -0.444 20 0 GBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1n[nH]nc1C(=O)N1CCCC1 ZINC001678307818 1071873475 /nfs/dbraw/zinc/87/34/75/1071873475.db2.gz HUUXIFPCPMRTIW-LLVKDONJSA-N 1 0 378.437 -0.376 20 0 GBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1n[nH]nc1C(=O)N1CCCC1 ZINC001678307819 1071873653 /nfs/dbraw/zinc/87/36/53/1071873653.db2.gz HUUXIFPCPMRTIW-NSHDSACASA-N 1 0 378.437 -0.376 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001678309713 1071873499 /nfs/dbraw/zinc/87/34/99/1071873499.db2.gz IJQXHWNLHMVVKG-HNNXBMFYSA-N 1 0 391.538 -0.979 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001678309714 1071873709 /nfs/dbraw/zinc/87/37/09/1071873709.db2.gz IJQXHWNLHMVVKG-OAHLLOKOSA-N 1 0 391.538 -0.979 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC[N@H+](C)C1 ZINC001678314712 1071873516 /nfs/dbraw/zinc/87/35/16/1071873516.db2.gz GIYVSZMWZJGQII-AWEZNQCLSA-N 1 0 383.493 -0.715 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC[N@H+](C)C1 ZINC001678314713 1071873441 /nfs/dbraw/zinc/87/34/41/1071873441.db2.gz GIYVSZMWZJGQII-CQSZACIVSA-N 1 0 383.493 -0.715 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001678333596 1071874581 /nfs/dbraw/zinc/87/45/81/1071874581.db2.gz ATBDBPLLRBMRQY-HRCADAONSA-N 1 0 378.473 -0.403 20 0 GBADRO COCC[N@H+](C)CCNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001678362011 1071874975 /nfs/dbraw/zinc/87/49/75/1071874975.db2.gz WSEDSMFRXJVUOM-UHFFFAOYSA-N 1 0 381.355 -0.111 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001678378409 1071875109 /nfs/dbraw/zinc/87/51/09/1071875109.db2.gz ZQPBTBFTGAUFKD-CVEARBPZSA-N 1 0 388.534 -0.054 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001678378410 1071874929 /nfs/dbraw/zinc/87/49/29/1071874929.db2.gz ZQPBTBFTGAUFKD-HOTGVXAUSA-N 1 0 388.534 -0.054 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001678378411 1071874959 /nfs/dbraw/zinc/87/49/59/1071874959.db2.gz ZQPBTBFTGAUFKD-HZPDHXFCSA-N 1 0 388.534 -0.054 20 0 GBADRO O=C(NCCS(=O)(=O)NCC1CCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001678378412 1071874533 /nfs/dbraw/zinc/87/45/33/1071874533.db2.gz ZQPBTBFTGAUFKD-JKSUJKDBSA-N 1 0 388.534 -0.054 20 0 GBADRO NS(=O)(=O)C1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC001678382347 1071875869 /nfs/dbraw/zinc/87/58/69/1071875869.db2.gz LBNBJYDBIZAOFD-UHFFFAOYSA-N 1 0 382.486 -0.174 20 0 GBADRO C[C@@H]1[C@H](C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC[N@@H+]1C ZINC001678397478 1071875582 /nfs/dbraw/zinc/87/55/82/1071875582.db2.gz HRZCIQDTIHYILD-KLHDSHLOSA-N 1 0 389.500 -0.057 20 0 GBADRO C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1C[N@H+](C)CCN1C ZINC001678399728 1071875793 /nfs/dbraw/zinc/87/57/93/1071875793.db2.gz BXJJXVKDWGLIAV-GXTWGEPZSA-N 1 0 388.494 -0.973 20 0 GBADRO C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1C[N@H+](C)CCN1C ZINC001678399735 1071875938 /nfs/dbraw/zinc/87/59/38/1071875938.db2.gz BXJJXVKDWGLIAV-JSGCOSHPSA-N 1 0 388.494 -0.973 20 0 GBADRO C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1C[N@H+](C)CCN1C ZINC001678399738 1071875656 /nfs/dbraw/zinc/87/56/56/1071875656.db2.gz BXJJXVKDWGLIAV-OCCSQVGLSA-N 1 0 388.494 -0.973 20 0 GBADRO C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1C[N@H+](C)CCN1C ZINC001678399740 1071876070 /nfs/dbraw/zinc/87/60/70/1071876070.db2.gz BXJJXVKDWGLIAV-TZMCWYRMSA-N 1 0 388.494 -0.973 20 0 GBADRO C[C@H]1CC[N@H+](CC(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001678407591 1071876846 /nfs/dbraw/zinc/87/68/46/1071876846.db2.gz OBYIYWIATQORFU-CNRFMZSYSA-N 1 0 377.485 -0.169 20 0 GBADRO C[C@@H]1CC[N@H+](CC(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC001678407592 1071876931 /nfs/dbraw/zinc/87/69/31/1071876931.db2.gz OBYIYWIATQORFU-NTCWUJLTSA-N 1 0 377.485 -0.169 20 0 GBADRO C[NH+](C)CCOCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001678407610 1071876690 /nfs/dbraw/zinc/87/66/90/1071876690.db2.gz PAKOEFQLQCENQT-NMNMXBMNSA-N 1 0 381.473 -0.932 20 0 GBADRO O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C12CC[NH+](CC1)C2 ZINC001678407653 1071876634 /nfs/dbraw/zinc/87/66/34/1071876634.db2.gz QRKWHTYRZPAQEY-LEOABGAYSA-N 1 0 375.469 -0.415 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001678423419 1071877466 /nfs/dbraw/zinc/87/74/66/1071877466.db2.gz SOPRXAVUVSUINS-DLBZAZTESA-N 1 0 392.504 -0.237 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001678423420 1071877424 /nfs/dbraw/zinc/87/74/24/1071877424.db2.gz SOPRXAVUVSUINS-IAGOWNOFSA-N 1 0 392.504 -0.237 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H](O)[C@H](CO)C1 ZINC001678423421 1071877635 /nfs/dbraw/zinc/87/76/35/1071877635.db2.gz SOPRXAVUVSUINS-IRXDYDNUSA-N 1 0 392.504 -0.237 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001678423422 1071877716 /nfs/dbraw/zinc/87/77/16/1071877716.db2.gz SOPRXAVUVSUINS-SJORKVTESA-N 1 0 392.504 -0.237 20 0 GBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC001678439987 1071877729 /nfs/dbraw/zinc/87/77/29/1071877729.db2.gz QNCPDGGZSMQXRC-UHFFFAOYSA-N 1 0 394.476 -0.784 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1=O ZINC001678445942 1071878649 /nfs/dbraw/zinc/87/86/49/1071878649.db2.gz ZSNUTKDPGKTGPW-CUYVQJCZSA-N 1 0 393.488 -0.053 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1=O ZINC001678445943 1071878425 /nfs/dbraw/zinc/87/84/25/1071878425.db2.gz ZSNUTKDPGKTGPW-GJRWTSMGSA-N 1 0 393.488 -0.053 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1=O ZINC001678445944 1071878250 /nfs/dbraw/zinc/87/82/50/1071878250.db2.gz ZSNUTKDPGKTGPW-GPINWOSQSA-N 1 0 393.488 -0.053 20 0 GBADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1=O ZINC001678445945 1071878352 /nfs/dbraw/zinc/87/83/52/1071878352.db2.gz ZSNUTKDPGKTGPW-QZNHQWIBSA-N 1 0 393.488 -0.053 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)c2ccccc2)CC1 ZINC001678519297 1071879531 /nfs/dbraw/zinc/87/95/31/1071879531.db2.gz YYNLVBPBJZAGFQ-MSOLQXFVSA-N 1 0 387.488 -0.073 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H](O)Cn2ccnn2)c2ccccc2)CC1 ZINC001678519298 1071879482 /nfs/dbraw/zinc/87/94/82/1071879482.db2.gz YYNLVBPBJZAGFQ-QZTJIDSGSA-N 1 0 387.488 -0.073 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)c2ccccc2)CC1 ZINC001678519299 1071879182 /nfs/dbraw/zinc/87/91/82/1071879182.db2.gz YYNLVBPBJZAGFQ-ROUUACIJSA-N 1 0 387.488 -0.073 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H](O)Cn2ccnn2)c2ccccc2)CC1 ZINC001678519300 1071879671 /nfs/dbraw/zinc/87/96/71/1071879671.db2.gz YYNLVBPBJZAGFQ-ZWKOTPCHSA-N 1 0 387.488 -0.073 20 0 GBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC[C@H](O)CS(C)(=O)=O)c2)CC1 ZINC001678529276 1071879698 /nfs/dbraw/zinc/87/96/98/1071879698.db2.gz KIMFZLCAQFGDSR-KRWDZBQOSA-N 1 0 398.529 -0.361 20 0 GBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NC[C@@H](O)CS(C)(=O)=O)c2)CC1 ZINC001678529277 1071879086 /nfs/dbraw/zinc/87/90/86/1071879086.db2.gz KIMFZLCAQFGDSR-QGZVFWFLSA-N 1 0 398.529 -0.361 20 0 GBADRO COC(=O)C1(O)CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC001678533990 1071879402 /nfs/dbraw/zinc/87/94/02/1071879402.db2.gz SAZFZBPQZAYQRB-UHFFFAOYSA-N 1 0 378.429 -0.593 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CCNC2=O)c1 ZINC001678534030 1071879257 /nfs/dbraw/zinc/87/92/57/1071879257.db2.gz UBHCWNODTKRGCO-UHFFFAOYSA-N 1 0 376.461 -0.198 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCCN2C(=O)CCC2=O)(N2CCOCC2)CC1 ZINC001678582942 1071879666 /nfs/dbraw/zinc/87/96/66/1071879666.db2.gz JGGMBTVUYNTKFO-UHFFFAOYSA-N 1 0 395.504 -0.379 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC(C)(C)CNS(C)(=O)=O)CC1 ZINC001678589539 1071879138 /nfs/dbraw/zinc/87/91/38/1071879138.db2.gz RSXMGEWLMUEZLJ-UHFFFAOYSA-N 1 0 391.538 -0.444 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(C)(C)CS(N)(=O)=O)CC1 ZINC001678589678 1071879653 /nfs/dbraw/zinc/87/96/53/1071879653.db2.gz TUXBLBJOGHDHHU-UHFFFAOYSA-N 1 0 391.538 -0.457 20 0 GBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001678589734 1071879052 /nfs/dbraw/zinc/87/90/52/1071879052.db2.gz VXBNYGGVEOLAOB-HUUCEWRRSA-N 1 0 381.477 -0.772 20 0 GBADRO CCNS(=O)(=O)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001678605217 1071880584 /nfs/dbraw/zinc/88/05/84/1071880584.db2.gz VBFCTXDXGMRDRK-UHFFFAOYSA-N 1 0 391.538 -0.979 20 0 GBADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001678619823 1071880255 /nfs/dbraw/zinc/88/02/55/1071880255.db2.gz WQJGEGPDOBYYPW-UHFFFAOYSA-N 1 0 379.465 -0.290 20 0 GBADRO CCNC(=O)N1CC[C@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001678635139 1071880228 /nfs/dbraw/zinc/88/02/28/1071880228.db2.gz XKHVAEKIPDNNHZ-INIZCTEOSA-N 1 0 396.536 -0.114 20 0 GBADRO CCNC(=O)N1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001678635148 1071880561 /nfs/dbraw/zinc/88/05/61/1071880561.db2.gz XKHVAEKIPDNNHZ-MRXNPFEDSA-N 1 0 396.536 -0.114 20 0 GBADRO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001678662025 1071881584 /nfs/dbraw/zinc/88/15/84/1071881584.db2.gz CCRMPNZTXGTGIJ-INIZCTEOSA-N 1 0 390.550 -0.359 20 0 GBADRO CS(=O)(=O)CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001678662026 1071881198 /nfs/dbraw/zinc/88/11/98/1071881198.db2.gz CCRMPNZTXGTGIJ-MRXNPFEDSA-N 1 0 390.550 -0.359 20 0 GBADRO C[C@@H]1CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001678663420 1071881146 /nfs/dbraw/zinc/88/11/46/1071881146.db2.gz XERISYWCUGHVCR-CABCVRRESA-N 1 0 390.550 -0.408 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663421 1071881522 /nfs/dbraw/zinc/88/15/22/1071881522.db2.gz XERISYWCUGHVCR-GJZGRUSLSA-N 1 0 390.550 -0.408 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663422 1071881069 /nfs/dbraw/zinc/88/10/69/1071881069.db2.gz XERISYWCUGHVCR-HUUCEWRRSA-N 1 0 390.550 -0.408 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001678663423 1071881475 /nfs/dbraw/zinc/88/14/75/1071881475.db2.gz XERISYWCUGHVCR-LSDHHAIUSA-N 1 0 390.550 -0.408 20 0 GBADRO CS(=O)(=O)NCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001678677468 1071881509 /nfs/dbraw/zinc/88/15/09/1071881509.db2.gz XLJMVJDLYYDTQF-UHFFFAOYSA-N 1 0 375.495 -0.949 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC001678713537 1071882290 /nfs/dbraw/zinc/88/22/90/1071882290.db2.gz NQHCGURCWXQZJX-ZDUSSCGKSA-N 1 0 394.563 -0.491 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H](O)[C@@H](CO)C1 ZINC001678723436 1071882385 /nfs/dbraw/zinc/88/23/85/1071882385.db2.gz VKWQAPNQNUKMCM-CVEARBPZSA-N 1 0 378.477 -0.627 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H](O)[C@H](CO)C1 ZINC001678723437 1071882334 /nfs/dbraw/zinc/88/23/34/1071882334.db2.gz VKWQAPNQNUKMCM-HOTGVXAUSA-N 1 0 378.477 -0.627 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H](CO)[C@H](O)C1 ZINC001678723438 1071882111 /nfs/dbraw/zinc/88/21/11/1071882111.db2.gz VKWQAPNQNUKMCM-HZPDHXFCSA-N 1 0 378.477 -0.627 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@@H](O)[C@H](CO)C1 ZINC001678723439 1071882136 /nfs/dbraw/zinc/88/21/36/1071882136.db2.gz VKWQAPNQNUKMCM-JKSUJKDBSA-N 1 0 378.477 -0.627 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001678763817 1071882181 /nfs/dbraw/zinc/88/21/81/1071882181.db2.gz PVUIEPDQUUSIRK-UHFFFAOYSA-N 1 0 389.518 -0.130 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)CC2 ZINC001678775138 1071882225 /nfs/dbraw/zinc/88/22/25/1071882225.db2.gz FDUUGOHAXDBDHO-CHWSQXEVSA-N 1 0 380.449 -0.515 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)CC2 ZINC001678775139 1071882197 /nfs/dbraw/zinc/88/21/97/1071882197.db2.gz FDUUGOHAXDBDHO-OLZOCXBDSA-N 1 0 380.449 -0.515 20 0 GBADRO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)CC2 ZINC001678775140 1071882079 /nfs/dbraw/zinc/88/20/79/1071882079.db2.gz FDUUGOHAXDBDHO-QWHCGFSZSA-N 1 0 380.449 -0.515 20 0 GBADRO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)CC2 ZINC001678775141 1071882460 /nfs/dbraw/zinc/88/24/60/1071882460.db2.gz FDUUGOHAXDBDHO-STQMWFEESA-N 1 0 380.449 -0.515 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678782325 1071882348 /nfs/dbraw/zinc/88/23/48/1071882348.db2.gz HIJNETDDKGIYFE-AWEZNQCLSA-N 1 0 390.492 -0.167 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678782326 1071882519 /nfs/dbraw/zinc/88/25/19/1071882519.db2.gz HIJNETDDKGIYFE-CQSZACIVSA-N 1 0 390.492 -0.167 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678791198 1071882570 /nfs/dbraw/zinc/88/25/70/1071882570.db2.gz TUUAIWFQZPPACL-CYBMUJFWSA-N 1 0 376.465 -0.510 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001678791199 1071882122 /nfs/dbraw/zinc/88/21/22/1071882122.db2.gz TUUAIWFQZPPACL-ZDUSSCGKSA-N 1 0 376.465 -0.510 20 0 GBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791683 1071883436 /nfs/dbraw/zinc/88/34/36/1071883436.db2.gz YRSNIRWPIFVFQS-ILXRZTDVSA-N 1 0 385.509 -0.375 20 0 GBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001678791685 1071883504 /nfs/dbraw/zinc/88/35/04/1071883504.db2.gz YRSNIRWPIFVFQS-KKUMJFAQSA-N 1 0 385.509 -0.375 20 0 GBADRO CCOC(=O)Cn1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)n1 ZINC001678824372 1071883231 /nfs/dbraw/zinc/88/32/31/1071883231.db2.gz GRLIHPCIJUZQLP-SUMWQHHRSA-N 1 0 381.433 -0.207 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)(N2CCOCC2)CC1 ZINC001678892720 1071884310 /nfs/dbraw/zinc/88/43/10/1071884310.db2.gz UQBVPXKNGMNNBM-CABCVRRESA-N 1 0 383.493 -0.885 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)(N2CCOCC2)CC1 ZINC001678892721 1071884107 /nfs/dbraw/zinc/88/41/07/1071884107.db2.gz UQBVPXKNGMNNBM-GJZGRUSLSA-N 1 0 383.493 -0.885 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)(N2CCOCC2)CC1 ZINC001678892722 1071884321 /nfs/dbraw/zinc/88/43/21/1071884321.db2.gz UQBVPXKNGMNNBM-HUUCEWRRSA-N 1 0 383.493 -0.885 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)(N2CCOCC2)CC1 ZINC001678892723 1071884292 /nfs/dbraw/zinc/88/42/92/1071884292.db2.gz UQBVPXKNGMNNBM-LSDHHAIUSA-N 1 0 383.493 -0.885 20 0 GBADRO CNC(=O)c1ccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)nn1 ZINC001678939535 1071884258 /nfs/dbraw/zinc/88/42/58/1071884258.db2.gz NVIIEVLOVLKSHM-UHFFFAOYSA-N 1 0 377.449 -0.242 20 0 GBADRO CCCN1C[C@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956395 1071884421 /nfs/dbraw/zinc/88/44/21/1071884421.db2.gz DAMDNEZFOPQQHP-DLBZAZTESA-N 1 0 381.521 -0.049 20 0 GBADRO CCCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956396 1071884277 /nfs/dbraw/zinc/88/42/77/1071884277.db2.gz DAMDNEZFOPQQHP-IAGOWNOFSA-N 1 0 381.521 -0.049 20 0 GBADRO CCCN1C[C@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956397 1071884395 /nfs/dbraw/zinc/88/43/95/1071884395.db2.gz DAMDNEZFOPQQHP-IRXDYDNUSA-N 1 0 381.521 -0.049 20 0 GBADRO CCCN1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1=O ZINC001678956398 1071884406 /nfs/dbraw/zinc/88/44/06/1071884406.db2.gz DAMDNEZFOPQQHP-SJORKVTESA-N 1 0 381.521 -0.049 20 0 GBADRO CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956557 1071884358 /nfs/dbraw/zinc/88/43/58/1071884358.db2.gz IFVHNVHUILNCAO-CVEARBPZSA-N 1 0 386.468 -0.065 20 0 GBADRO CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956558 1071884071 /nfs/dbraw/zinc/88/40/71/1071884071.db2.gz IFVHNVHUILNCAO-HOTGVXAUSA-N 1 0 386.468 -0.065 20 0 GBADRO CCOC(=O)[C@H](F)C1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956559 1071884008 /nfs/dbraw/zinc/88/40/08/1071884008.db2.gz IFVHNVHUILNCAO-HZPDHXFCSA-N 1 0 386.468 -0.065 20 0 GBADRO CCOC(=O)[C@H](F)C1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956560 1071884224 /nfs/dbraw/zinc/88/42/24/1071884224.db2.gz IFVHNVHUILNCAO-JKSUJKDBSA-N 1 0 386.468 -0.065 20 0 GBADRO CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956706 1071884185 /nfs/dbraw/zinc/88/41/85/1071884185.db2.gz LXCADCITDUXISH-DLBZAZTESA-N 1 0 396.536 -0.162 20 0 GBADRO CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956707 1071884861 /nfs/dbraw/zinc/88/48/61/1071884861.db2.gz LXCADCITDUXISH-IAGOWNOFSA-N 1 0 396.536 -0.162 20 0 GBADRO CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956708 1071885022 /nfs/dbraw/zinc/88/50/22/1071885022.db2.gz LXCADCITDUXISH-IRXDYDNUSA-N 1 0 396.536 -0.162 20 0 GBADRO CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001678956709 1071884934 /nfs/dbraw/zinc/88/49/34/1071884934.db2.gz LXCADCITDUXISH-SJORKVTESA-N 1 0 396.536 -0.162 20 0 GBADRO CCn1cc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)[nH]c1=O ZINC001678957396 1071884916 /nfs/dbraw/zinc/88/49/16/1071884916.db2.gz ZCGLILBJDGTAEU-HNNXBMFYSA-N 1 0 394.476 -0.826 20 0 GBADRO CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(=O)[nH]c1=O ZINC001678957397 1071885323 /nfs/dbraw/zinc/88/53/23/1071885323.db2.gz ZCGLILBJDGTAEU-OAHLLOKOSA-N 1 0 394.476 -0.826 20 0 GBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001678957435 1071885349 /nfs/dbraw/zinc/88/53/49/1071885349.db2.gz ZVWQIBNFZWOIDX-ARFHVFGLSA-N 1 0 381.477 -0.467 20 0 GBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001678957436 1071885411 /nfs/dbraw/zinc/88/54/11/1071885411.db2.gz ZVWQIBNFZWOIDX-HRCADAONSA-N 1 0 381.477 -0.467 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001678959105 1071884989 /nfs/dbraw/zinc/88/49/89/1071884989.db2.gz ILUBXAUJGOODBU-KFWWJZLASA-N 1 0 386.518 -0.065 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)C1 ZINC001678959106 1071885388 /nfs/dbraw/zinc/88/53/88/1071885388.db2.gz ILUBXAUJGOODBU-ZNMIVQPWSA-N 1 0 386.518 -0.065 20 0 GBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC001678959962 1071884891 /nfs/dbraw/zinc/88/48/91/1071884891.db2.gz UICORMHIVOAIJR-HNNXBMFYSA-N 1 0 383.493 -0.896 20 0 GBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(C(=O)NCCO)CC2)C1 ZINC001678959963 1071884877 /nfs/dbraw/zinc/88/48/77/1071884877.db2.gz UICORMHIVOAIJR-OAHLLOKOSA-N 1 0 383.493 -0.896 20 0 GBADRO COCc1nnc2n1CCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC001678960176 1071885268 /nfs/dbraw/zinc/88/52/68/1071885268.db2.gz XFJZOZYDCIRKPU-CYBMUJFWSA-N 1 0 379.465 -0.463 20 0 GBADRO COCc1nnc2n1CCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC001678960177 1071884866 /nfs/dbraw/zinc/88/48/66/1071884866.db2.gz XFJZOZYDCIRKPU-ZDUSSCGKSA-N 1 0 379.465 -0.463 20 0 GBADRO CNS(=O)(=O)C1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC001678970132 1071884954 /nfs/dbraw/zinc/88/49/54/1071884954.db2.gz NRDAYRRWBYFJQJ-UHFFFAOYSA-N 1 0 375.539 -0.263 20 0 GBADRO Cn1ncnc1C1(O)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC001678983054 1071884874 /nfs/dbraw/zinc/88/48/74/1071884874.db2.gz SUFAQJMJKIEPKW-CABCVRRESA-N 1 0 378.477 -0.204 20 0 GBADRO Cn1ncnc1C1(O)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC001678983055 1071884981 /nfs/dbraw/zinc/88/49/81/1071884981.db2.gz SUFAQJMJKIEPKW-GJZGRUSLSA-N 1 0 378.477 -0.204 20 0 GBADRO Cn1ncnc1C1(O)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC001678983056 1071885073 /nfs/dbraw/zinc/88/50/73/1071885073.db2.gz SUFAQJMJKIEPKW-HUUCEWRRSA-N 1 0 378.477 -0.204 20 0 GBADRO Cn1ncnc1C1(O)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC001678983057 1071884851 /nfs/dbraw/zinc/88/48/51/1071884851.db2.gz SUFAQJMJKIEPKW-LSDHHAIUSA-N 1 0 378.477 -0.204 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC001679022125 1071885182 /nfs/dbraw/zinc/88/51/82/1071885182.db2.gz LGXYHVZPGSDYFD-UHFFFAOYSA-N 1 0 378.539 -0.237 20 0 GBADRO CS(=O)(=O)CCOCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001679026730 1071884971 /nfs/dbraw/zinc/88/49/71/1071884971.db2.gz MXORINHIVWXBCM-UHFFFAOYSA-N 1 0 377.507 -0.010 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)CC1 ZINC001679048459 1071886047 /nfs/dbraw/zinc/88/60/47/1071886047.db2.gz BLKLIWOXSDMDPQ-UHFFFAOYSA-N 1 0 376.461 -0.423 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+](C)C1 ZINC001679083960 1071886069 /nfs/dbraw/zinc/88/60/69/1071886069.db2.gz ISIYGFMQJPOQDD-CHWSQXEVSA-N 1 0 376.479 -0.986 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC[N@H+](C)C1 ZINC001679083967 1071886115 /nfs/dbraw/zinc/88/61/15/1071886115.db2.gz ISIYGFMQJPOQDD-OLZOCXBDSA-N 1 0 376.479 -0.986 20 0 GBADRO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+](C)C1 ZINC001679083969 1071885829 /nfs/dbraw/zinc/88/58/29/1071885829.db2.gz ISIYGFMQJPOQDD-QWHCGFSZSA-N 1 0 376.479 -0.986 20 0 GBADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@H+](C)C1 ZINC001679083970 1071886232 /nfs/dbraw/zinc/88/62/32/1071886232.db2.gz ISIYGFMQJPOQDD-STQMWFEESA-N 1 0 376.479 -0.986 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC001679097076 1071885965 /nfs/dbraw/zinc/88/59/65/1071885965.db2.gz WUIRLEBKLPKPFD-AWEZNQCLSA-N 1 0 393.492 -0.043 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC001679097079 1071886186 /nfs/dbraw/zinc/88/61/86/1071886186.db2.gz WUIRLEBKLPKPFD-CQSZACIVSA-N 1 0 393.492 -0.043 20 0 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ZINC001679098055 1071886304 /nfs/dbraw/zinc/88/63/04/1071886304.db2.gz WNVWQIXZJUNWEM-CQSZACIVSA-N 1 0 390.492 -0.847 20 0 GBADRO C[C@@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)C[NH+]1CCN(C)CC1 ZINC001679098153 1071886265 /nfs/dbraw/zinc/88/62/65/1071886265.db2.gz YIHVZVCKBFJKHI-AWEZNQCLSA-N 1 0 380.497 -0.660 20 0 GBADRO C[C@H](CNC(=O)NCCCCn1cc(C(N)=O)nn1)C[NH+]1CCN(C)CC1 ZINC001679098154 1071886191 /nfs/dbraw/zinc/88/61/91/1071886191.db2.gz YIHVZVCKBFJKHI-CQSZACIVSA-N 1 0 380.497 -0.660 20 0 GBADRO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC001679175428 1071886893 /nfs/dbraw/zinc/88/68/93/1071886893.db2.gz GDMGGFRWXQDUSZ-HNNXBMFYSA-N 1 0 383.493 -0.788 20 0 GBADRO COC(=O)c1cc(C2CN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)[nH]n1 ZINC001679272399 1071888472 /nfs/dbraw/zinc/88/84/72/1071888472.db2.gz SPHMRXLRCBMZMW-GFCCVEGCSA-N 1 0 392.460 -0.108 20 0 GBADRO COC(=O)c1cc(C2CN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)[nH]n1 ZINC001679272400 1071888819 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CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001681553104 1071922253 /nfs/dbraw/zinc/92/22/53/1071922253.db2.gz RPRCFLXASBMKOM-OLZOCXBDSA-N 1 0 379.552 -0.302 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001681553106 1071922228 /nfs/dbraw/zinc/92/22/28/1071922228.db2.gz RPRCFLXASBMKOM-QWHCGFSZSA-N 1 0 379.552 -0.302 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001681553107 1071922175 /nfs/dbraw/zinc/92/21/75/1071922175.db2.gz RPRCFLXASBMKOM-STQMWFEESA-N 1 0 379.552 -0.302 20 0 GBADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC2(C1)NC(=O)NC2=O ZINC001681600498 1071922081 /nfs/dbraw/zinc/92/20/81/1071922081.db2.gz GSXROKHGEFUFNT-HNNXBMFYSA-N 1 0 387.440 -0.119 20 0 GBADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC2(C1)NC(=O)NC2=O ZINC001681600500 1071922258 /nfs/dbraw/zinc/92/22/58/1071922258.db2.gz GSXROKHGEFUFNT-OAHLLOKOSA-N 1 0 387.440 -0.119 20 0 GBADRO C[NH+](C)CCOCCNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001681741862 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C[NH+]1CCC(CNC(=O)N2CCC[C@H](CNC(N)=O)C2)(N2CCOCC2)CC1 ZINC001681984183 1071926866 /nfs/dbraw/zinc/92/68/66/1071926866.db2.gz GMKUCWGAEZZRMT-MRXNPFEDSA-N 1 0 396.536 -0.127 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001681985289 1071926688 /nfs/dbraw/zinc/92/66/88/1071926688.db2.gz PFQIKLALNFRTIS-HNNXBMFYSA-N 1 0 388.534 -0.389 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC001681985297 1071927005 /nfs/dbraw/zinc/92/70/05/1071927005.db2.gz PFQIKLALNFRTIS-OAHLLOKOSA-N 1 0 388.534 -0.389 20 0 GBADRO CNC(=O)[C@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001681985576 1071926753 /nfs/dbraw/zinc/92/67/53/1071926753.db2.gz QYEBBMYVRNSXQZ-INIZCTEOSA-N 1 0 381.521 -0.049 20 0 GBADRO CNC(=O)[C@@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001681985577 1071927022 /nfs/dbraw/zinc/92/70/22/1071927022.db2.gz QYEBBMYVRNSXQZ-MRXNPFEDSA-N 1 0 381.521 -0.049 20 0 GBADRO C[C@@H](CCS(C)(=O)=O)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001681986139 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CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001682712447 1071939750 /nfs/dbraw/zinc/93/97/50/1071939750.db2.gz JVNRLJWMZXOUCR-KBPBESRZSA-N 1 0 389.522 -0.703 20 0 GBADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001682712448 1071939900 /nfs/dbraw/zinc/93/99/00/1071939900.db2.gz JVNRLJWMZXOUCR-KGLIPLIRSA-N 1 0 389.522 -0.703 20 0 GBADRO CC(C)(C)OC(=O)N1CC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001682713198 1071940064 /nfs/dbraw/zinc/94/00/64/1071940064.db2.gz SMBJATPYXSPODF-ZDUSSCGKSA-N 1 0 399.492 -0.393 20 0 GBADRO NS(=O)(=O)CCCCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001682736198 1071939937 /nfs/dbraw/zinc/93/99/37/1071939937.db2.gz GDVRDQIUIGSFHF-MRXNPFEDSA-N 1 0 384.502 -0.227 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCCS(N)(=O)=O)CC1 ZINC001682737072 1071940021 /nfs/dbraw/zinc/94/00/21/1071940021.db2.gz YRGOWOWKQWRCDU-UHFFFAOYSA-N 1 0 377.511 -0.749 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC001682742637 1071939995 /nfs/dbraw/zinc/93/99/95/1071939995.db2.gz IXUPFEVEFPUZOU-KBPBESRZSA-N 1 0 388.476 -0.153 20 0 GBADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC001682742638 1071939814 /nfs/dbraw/zinc/93/98/14/1071939814.db2.gz IXUPFEVEFPUZOU-UONOGXRCSA-N 1 0 388.476 -0.153 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC001682743655 1071939843 /nfs/dbraw/zinc/93/98/43/1071939843.db2.gz OCFFVPUMMOFZQA-ILXRZTDVSA-N 1 0 388.476 -0.201 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@@H](C)C1 ZINC001682743656 1071939775 /nfs/dbraw/zinc/93/97/75/1071939775.db2.gz OCFFVPUMMOFZQA-KKUMJFAQSA-N 1 0 388.476 -0.201 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC001682743657 1071940618 /nfs/dbraw/zinc/94/06/18/1071940618.db2.gz OCFFVPUMMOFZQA-QLFBSQMISA-N 1 0 388.476 -0.201 20 0 GBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H](C)C1 ZINC001682743658 1071940809 /nfs/dbraw/zinc/94/08/09/1071940809.db2.gz OCFFVPUMMOFZQA-SOUVJXGZSA-N 1 0 388.476 -0.201 20 0 GBADRO CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001682841061 1071940768 /nfs/dbraw/zinc/94/07/68/1071940768.db2.gz PAWIFOPVMFIQRB-UHFFFAOYSA-N 1 0 389.522 -0.607 20 0 GBADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001682846547 1071941645 /nfs/dbraw/zinc/94/16/45/1071941645.db2.gz LOAAPTRZFMXALZ-UHFFFAOYSA-N 1 0 379.461 -0.066 20 0 GBADRO CN(OCC(F)(F)F)C(=O)CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001682870981 1071941351 /nfs/dbraw/zinc/94/13/51/1071941351.db2.gz HVQZEPIMWCHUPY-SMDDNHRTSA-N 1 0 398.382 -0.536 20 0 GBADRO COc1ccc(CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001682877857 1071941702 /nfs/dbraw/zinc/94/17/02/1071941702.db2.gz YHETVHPQLIYZIN-CYBMUJFWSA-N 1 0 399.517 -0.222 20 0 GBADRO COc1ccc(CNC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001682877858 1071941271 /nfs/dbraw/zinc/94/12/71/1071941271.db2.gz YHETVHPQLIYZIN-ZDUSSCGKSA-N 1 0 399.517 -0.222 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@H]2C)CC[N@@H+]1C ZINC001682892495 1071941559 /nfs/dbraw/zinc/94/15/59/1071941559.db2.gz ATUSTXYNHIUJOH-LXTVHRRPSA-N 1 0 388.534 -0.381 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C2)CC[N@@H+]1C ZINC001682909048 1071941448 /nfs/dbraw/zinc/94/14/48/1071941448.db2.gz KLZLSEQJMGQSDL-QKPAOTATSA-N 1 0 382.505 -0.168 20 0 GBADRO CN1CCN(C(=O)C2CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC001682924854 1071942346 /nfs/dbraw/zinc/94/23/46/1071942346.db2.gz YVFDNZLNIFRMHP-UHFFFAOYSA-N 1 0 381.521 -0.096 20 0 GBADRO C[N@@H+]1CC[C@@H]1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001682991856 1071942246 /nfs/dbraw/zinc/94/22/46/1071942246.db2.gz IKNVSHQNDFFAML-CYBMUJFWSA-N 1 0 396.469 -0.166 20 0 GBADRO C[N@@H+]1CC[C@H]1CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001682991857 1071942286 /nfs/dbraw/zinc/94/22/86/1071942286.db2.gz IKNVSHQNDFFAML-ZDUSSCGKSA-N 1 0 396.469 -0.166 20 0 GBADRO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055066 1071944052 /nfs/dbraw/zinc/94/40/52/1071944052.db2.gz SBPPEHVSLQXUMR-GXTWGEPZSA-N 1 0 399.517 -0.224 20 0 GBADRO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055067 1071943936 /nfs/dbraw/zinc/94/39/36/1071943936.db2.gz SBPPEHVSLQXUMR-JSGCOSHPSA-N 1 0 399.517 -0.224 20 0 GBADRO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055068 1071943905 /nfs/dbraw/zinc/94/39/05/1071943905.db2.gz SBPPEHVSLQXUMR-OCCSQVGLSA-N 1 0 399.517 -0.224 20 0 GBADRO COc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1S(N)(=O)=O ZINC001683055069 1071943656 /nfs/dbraw/zinc/94/36/56/1071943656.db2.gz SBPPEHVSLQXUMR-TZMCWYRMSA-N 1 0 399.517 -0.224 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C2)CC[N@@H+]1C ZINC001683059770 1071943979 /nfs/dbraw/zinc/94/39/79/1071943979.db2.gz OQLMHXGQSUXMDS-LXTVHRRPSA-N 1 0 388.534 -0.252 20 0 GBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)C1 ZINC001683098258 1071944721 /nfs/dbraw/zinc/94/47/21/1071944721.db2.gz CRISKQHRTHTSOF-HNNXBMFYSA-N 1 0 392.508 -0.421 20 0 GBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)C1 ZINC001683098259 1071944693 /nfs/dbraw/zinc/94/46/93/1071944693.db2.gz CRISKQHRTHTSOF-OAHLLOKOSA-N 1 0 392.508 -0.421 20 0 GBADRO C[NH+](C)CCOC1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001683098792 1071944840 /nfs/dbraw/zinc/94/48/40/1071944840.db2.gz UUSBNWHZWUABCG-UHFFFAOYSA-N 1 0 381.481 -0.091 20 0 GBADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001683103021 1071944872 /nfs/dbraw/zinc/94/48/72/1071944872.db2.gz PBCNNRGZQIWXEA-UHFFFAOYSA-N 1 0 393.492 -0.089 20 0 GBADRO C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC001683146746 1071945276 /nfs/dbraw/zinc/94/52/76/1071945276.db2.gz AGIDCYKYQYPDFJ-CYBMUJFWSA-N 1 0 381.481 -0.323 20 0 GBADRO C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1N=NC(=O)N1C ZINC001683146747 1071945411 /nfs/dbraw/zinc/94/54/11/1071945411.db2.gz AGIDCYKYQYPDFJ-ZDUSSCGKSA-N 1 0 381.481 -0.323 20 0 GBADRO CNC(=O)NC1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001683146881 1071945522 /nfs/dbraw/zinc/94/55/22/1071945522.db2.gz COKSKEHPSQUJDZ-UHFFFAOYSA-N 1 0 396.536 -0.114 20 0 GBADRO CN(CCN1CCOCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683147074 1071945594 /nfs/dbraw/zinc/94/55/94/1071945594.db2.gz HVRLOXZVWFSBQX-UHFFFAOYSA-N 1 0 383.537 -0.243 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@H](OCCO)C2)(N2CCOCC2)CC1 ZINC001683147280 1071945532 /nfs/dbraw/zinc/94/55/32/1071945532.db2.gz MDCXXTFMVIUBHU-KRWDZBQOSA-N 1 0 384.521 -0.034 20 0 GBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@@H](OCCO)C2)(N2CCOCC2)CC1 ZINC001683147281 1071945312 /nfs/dbraw/zinc/94/53/12/1071945312.db2.gz MDCXXTFMVIUBHU-QGZVFWFLSA-N 1 0 384.521 -0.034 20 0 GBADRO CNC(=O)N[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001683147710 1071945671 /nfs/dbraw/zinc/94/56/71/1071945671.db2.gz VJEZIBCNEOJFJA-HNNXBMFYSA-N 1 0 382.509 -0.504 20 0 GBADRO CNC(=O)N[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001683147711 1071945468 /nfs/dbraw/zinc/94/54/68/1071945468.db2.gz VJEZIBCNEOJFJA-OAHLLOKOSA-N 1 0 382.509 -0.504 20 0 GBADRO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)n1 ZINC001683153733 1071945420 /nfs/dbraw/zinc/94/54/20/1071945420.db2.gz TXSPXXJBGCMDNP-SZOQZIPDSA-N 1 0 381.433 -0.267 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC001683170099 1071946176 /nfs/dbraw/zinc/94/61/76/1071946176.db2.gz DIOQVIHGPBOYRK-MSOLQXFVSA-N 1 0 390.484 -0.122 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC001683170100 1071946122 /nfs/dbraw/zinc/94/61/22/1071946122.db2.gz DIOQVIHGPBOYRK-QZTJIDSGSA-N 1 0 390.484 -0.122 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC001683170101 1071946216 /nfs/dbraw/zinc/94/62/16/1071946216.db2.gz DIOQVIHGPBOYRK-ROUUACIJSA-N 1 0 390.484 -0.122 20 0 GBADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC001683170102 1071946211 /nfs/dbraw/zinc/94/62/11/1071946211.db2.gz DIOQVIHGPBOYRK-ZWKOTPCHSA-N 1 0 390.484 -0.122 20 0 GBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001683175881 1071946237 /nfs/dbraw/zinc/94/62/37/1071946237.db2.gz LJUCTDUJTMIVOY-KKUMJFAQSA-N 1 0 384.477 -0.194 20 0 GBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001683175882 1071946049 /nfs/dbraw/zinc/94/60/49/1071946049.db2.gz LJUCTDUJTMIVOY-SOUVJXGZSA-N 1 0 384.477 -0.194 20 0 GBADRO NS(=O)(=O)CCOCCNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001683176297 1071946265 /nfs/dbraw/zinc/94/62/65/1071946265.db2.gz FUVWBQVSMIQOTD-UHFFFAOYSA-N 1 0 382.486 -0.181 20 0 GBADRO NS(=O)(=O)CCOCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001683176936 1071946287 /nfs/dbraw/zinc/94/62/87/1071946287.db2.gz OYKHSJBTJULVGH-UHFFFAOYSA-N 1 0 378.495 -0.766 20 0 GBADRO CCN1C(=S)N=NC1CCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001683205117 1071946977 /nfs/dbraw/zinc/94/69/77/1071946977.db2.gz ONHWOSDIXQQVME-BLLLJJGKSA-N 1 0 384.506 -0.346 20 0 GBADRO CO[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001683231193 1071947144 /nfs/dbraw/zinc/94/71/44/1071947144.db2.gz FOLXKHYLBCGDFV-KBUPBQIOSA-N 1 0 389.518 -0.508 20 0 GBADRO CO[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001683231492 1071946963 /nfs/dbraw/zinc/94/69/63/1071946963.db2.gz RRKMZZLXNXLULQ-KBUPBQIOSA-N 1 0 380.489 -0.463 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2OC)CC[N@@H+]1C ZINC001683231552 1071948037 /nfs/dbraw/zinc/94/80/37/1071948037.db2.gz UJBZOZDEUYEGBH-GBJTYRQASA-N 1 0 389.518 -0.507 20 0 GBADRO CO[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001683231559 1071947518 /nfs/dbraw/zinc/94/75/18/1071947518.db2.gz URIQRRAHQXVURP-IXYNUQLISA-N 1 0 392.456 -0.308 20 0 GBADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)COCc1ccnn1C ZINC001683253348 1071948022 /nfs/dbraw/zinc/94/80/22/1071948022.db2.gz BNUYXKTYEGCMAU-MWQQHZPXSA-N 1 0 393.488 -0.381 20 0 GBADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCCCNC(N)=O ZINC001683261808 1071947950 /nfs/dbraw/zinc/94/79/50/1071947950.db2.gz WWCMGGGUVYYMKW-KBUPBQIOSA-N 1 0 383.493 -0.493 20 0 GBADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCc2nnnn2CC1 ZINC001683262017 1071947553 /nfs/dbraw/zinc/94/75/53/1071947553.db2.gz DUBPJVOLOZIVPY-CVEARBPZSA-N 1 0 392.508 -0.526 20 0 GBADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCc2nnnn2CC1 ZINC001683262018 1071947849 /nfs/dbraw/zinc/94/78/49/1071947849.db2.gz DUBPJVOLOZIVPY-HOTGVXAUSA-N 1 0 392.508 -0.526 20 0 GBADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCc2nnnn2CC1 ZINC001683262019 1071947532 /nfs/dbraw/zinc/94/75/32/1071947532.db2.gz DUBPJVOLOZIVPY-HZPDHXFCSA-N 1 0 392.508 -0.526 20 0 GBADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCc2nnnn2CC1 ZINC001683262020 1071947634 /nfs/dbraw/zinc/94/76/34/1071947634.db2.gz DUBPJVOLOZIVPY-JKSUJKDBSA-N 1 0 392.508 -0.526 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 ZINC001683262199 1071947579 /nfs/dbraw/zinc/94/75/79/1071947579.db2.gz JXHZQUWQCPGCRI-AWEZNQCLSA-N 1 0 390.492 -0.107 20 0 GBADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 ZINC001683262200 1071948050 /nfs/dbraw/zinc/94/80/50/1071948050.db2.gz JXHZQUWQCPGCRI-CQSZACIVSA-N 1 0 390.492 -0.107 20 0 GBADRO CNS(=O)(=O)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001683272435 1071948575 /nfs/dbraw/zinc/94/85/75/1071948575.db2.gz NYSFLYMTIUMGMA-UHFFFAOYSA-N 1 0 384.506 -0.428 20 0 GBADRO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001683282197 1071948433 /nfs/dbraw/zinc/94/84/33/1071948433.db2.gz XVKIWCWSJRRJIO-QKPAOTATSA-N 1 0 382.505 -0.038 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nn1 ZINC001683285760 1071949129 /nfs/dbraw/zinc/94/91/29/1071949129.db2.gz FJAYLUNPWHFEQY-AWEZNQCLSA-N 1 0 379.465 -0.290 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nn1 ZINC001683285762 1071949121 /nfs/dbraw/zinc/94/91/21/1071949121.db2.gz FJAYLUNPWHFEQY-CQSZACIVSA-N 1 0 379.465 -0.290 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nn1 ZINC001683285931 1071949253 /nfs/dbraw/zinc/94/92/53/1071949253.db2.gz HBBNMVHLEVCNFP-CABCVRRESA-N 1 0 379.465 -0.602 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nn1 ZINC001683285934 1071949327 /nfs/dbraw/zinc/94/93/27/1071949327.db2.gz HBBNMVHLEVCNFP-GJZGRUSLSA-N 1 0 379.465 -0.602 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nn1 ZINC001683285936 1071949205 /nfs/dbraw/zinc/94/92/05/1071949205.db2.gz HBBNMVHLEVCNFP-HUUCEWRRSA-N 1 0 379.465 -0.602 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nn1 ZINC001683285938 1071949430 /nfs/dbraw/zinc/94/94/30/1071949430.db2.gz HBBNMVHLEVCNFP-LSDHHAIUSA-N 1 0 379.465 -0.602 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001683285946 1071949189 /nfs/dbraw/zinc/94/91/89/1071949189.db2.gz HGUORUQMWHCXLD-UHFFFAOYSA-N 1 0 381.481 -0.308 20 0 GBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001683286519 1071949051 /nfs/dbraw/zinc/94/90/51/1071949051.db2.gz OWJLTNDQGZOWPU-UHFFFAOYSA-N 1 0 380.497 -0.564 20 0 GBADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC001683286863 1071949163 /nfs/dbraw/zinc/94/91/63/1071949163.db2.gz VUULMZZFNINUJT-UHFFFAOYSA-N 1 0 394.524 -0.128 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCC(=O)NCC(F)(F)F)(N2CCOCC2)CC1 ZINC001683327952 1071950061 /nfs/dbraw/zinc/95/00/61/1071950061.db2.gz BVVVSRDEBRPOQD-UHFFFAOYSA-N 1 0 395.426 -0.239 20 0 GBADRO CN(CC(=O)N1CCOCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683329122 1071950074 /nfs/dbraw/zinc/95/00/74/1071950074.db2.gz KLCMEEZLHQMSQC-UHFFFAOYSA-N 1 0 397.520 -0.717 20 0 GBADRO CN(C)C(=O)[C@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001683329127 1071949930 /nfs/dbraw/zinc/94/99/30/1071949930.db2.gz KNMQWQXUCCUFAA-INIZCTEOSA-N 1 0 381.521 -0.097 20 0 GBADRO CN(C)C(=O)[C@@H]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC001683329128 1071949855 /nfs/dbraw/zinc/94/98/55/1071949855.db2.gz KNMQWQXUCCUFAA-MRXNPFEDSA-N 1 0 381.521 -0.097 20 0 GBADRO COCC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001683329527 1071950081 /nfs/dbraw/zinc/95/00/81/1071950081.db2.gz MYAKZHCMPBIGKE-UHFFFAOYSA-N 1 0 397.520 -0.717 20 0 GBADRO CCN(CCS(C)(=O)=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683329586 1071949804 /nfs/dbraw/zinc/94/98/04/1071949804.db2.gz OADSSHGABXCZNO-UHFFFAOYSA-N 1 0 390.550 -0.141 20 0 GBADRO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683330284 1071949904 /nfs/dbraw/zinc/94/99/04/1071949904.db2.gz VFHFHTXNAKAGEM-HNNXBMFYSA-N 1 0 390.550 -0.143 20 0 GBADRO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001683330285 1071950116 /nfs/dbraw/zinc/95/01/16/1071950116.db2.gz VFHFHTXNAKAGEM-OAHLLOKOSA-N 1 0 390.550 -0.143 20 0 GBADRO C[NH+]1CCC(CNC(=O)N(CCO)C2CCOCC2)(N2CCOCC2)CC1 ZINC001683330546 1071950102 /nfs/dbraw/zinc/95/01/02/1071950102.db2.gz ZPBYSSMJWWXZHJ-UHFFFAOYSA-N 1 0 384.521 -0.034 20 0 GBADRO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 ZINC001683330865 1071950052 /nfs/dbraw/zinc/95/00/52/1071950052.db2.gz LQOWNZPSSLEKJF-LXTVHRRPSA-N 1 0 384.477 -0.907 20 0 GBADRO O=C(CCNC(=O)N1C[C@H](O)[C@@H](CO)C1)N1CCN(c2ccccn2)CC1 ZINC001683372920 1071950555 /nfs/dbraw/zinc/95/05/55/1071950555.db2.gz NVRILTBULRMVGZ-CABCVRRESA-N 1 0 377.445 -0.885 20 0 GBADRO O=C(CCNC(=O)N1C[C@H](O)[C@H](CO)C1)N1CCN(c2ccccn2)CC1 ZINC001683372921 1071950868 /nfs/dbraw/zinc/95/08/68/1071950868.db2.gz NVRILTBULRMVGZ-GJZGRUSLSA-N 1 0 377.445 -0.885 20 0 GBADRO O=C(CCNC(=O)N1C[C@H](CO)[C@H](O)C1)N1CCN(c2ccccn2)CC1 ZINC001683372922 1071950719 /nfs/dbraw/zinc/95/07/19/1071950719.db2.gz NVRILTBULRMVGZ-HUUCEWRRSA-N 1 0 377.445 -0.885 20 0 GBADRO O=C(CCNC(=O)N1C[C@@H](O)[C@H](CO)C1)N1CCN(c2ccccn2)CC1 ZINC001683372924 1071950579 /nfs/dbraw/zinc/95/05/79/1071950579.db2.gz NVRILTBULRMVGZ-LSDHHAIUSA-N 1 0 377.445 -0.885 20 0 GBADRO CN(CCS(N)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001683378527 1071950655 /nfs/dbraw/zinc/95/06/55/1071950655.db2.gz QNVFTIMIAXMYBA-UHFFFAOYSA-N 1 0 384.506 -0.476 20 0 GBADRO NS(=O)(=O)C1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001683378931 1071950474 /nfs/dbraw/zinc/95/04/74/1071950474.db2.gz YFOFKGWSPZJYPP-UHFFFAOYSA-N 1 0 382.490 -0.724 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC001683415904 1071951600 /nfs/dbraw/zinc/95/16/00/1071951600.db2.gz IKXARJLRURACQU-CYBMUJFWSA-N 1 0 375.433 -0.737 20 0 GBADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001683415905 1071951378 /nfs/dbraw/zinc/95/13/78/1071951378.db2.gz IKXARJLRURACQU-ZDUSSCGKSA-N 1 0 375.433 -0.737 20 0 GBADRO CC(C)(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CS(N)(=O)=O ZINC001683421975 1071951238 /nfs/dbraw/zinc/95/12/38/1071951238.db2.gz FAKUXYUSCHESCQ-UHFFFAOYSA-N 1 0 389.522 -0.749 20 0 GBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC001683429958 1071951507 /nfs/dbraw/zinc/95/15/07/1071951507.db2.gz XFQGISPTKYSUKJ-UHFFFAOYSA-N 1 0 399.473 -0.511 20 0 GBADRO Nc1n[nH]c(CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC001683464650 1071953004 /nfs/dbraw/zinc/95/30/04/1071953004.db2.gz JOYZEJHZKBTYKV-UHFFFAOYSA-N 1 0 378.481 -0.089 20 0 GBADRO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001683481244 1071953090 /nfs/dbraw/zinc/95/30/90/1071953090.db2.gz ALLWWWOYGXXDAW-DFGXFYAUSA-N 1 0 383.489 -0.256 20 0 GBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCS(N)(=O)=O ZINC001683490469 1071953752 /nfs/dbraw/zinc/95/37/52/1071953752.db2.gz NBJITRFUXGFBHB-KRWDZBQOSA-N 1 0 384.502 -0.057 20 0 GBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCS(N)(=O)=O ZINC001683490471 1071954038 /nfs/dbraw/zinc/95/40/38/1071954038.db2.gz NBJITRFUXGFBHB-QGZVFWFLSA-N 1 0 384.502 -0.057 20 0 GBADRO CC(=O)NC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)CCCC1 ZINC001683491352 1071954059 /nfs/dbraw/zinc/95/40/59/1071954059.db2.gz CPBCIZTXKVYNFA-MIGQKNRLSA-N 1 0 380.489 -0.537 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CNC(=O)C3CCCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001683491465 1071953811 /nfs/dbraw/zinc/95/38/11/1071953811.db2.gz DHSOKGZEZTVSQA-MIGQKNRLSA-N 1 0 380.489 -0.679 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCn3ccnn3)C[C@@H]2O)CC[N@@H+]1C ZINC001683491705 1071953847 /nfs/dbraw/zinc/95/38/47/1071953847.db2.gz IXLWORDZZPOWFH-JJXSEGSLSA-N 1 0 378.477 -0.524 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)COCc3cccnc3)C[C@@H]2O)CC[N@@H+]1C ZINC001683491924 1071953878 /nfs/dbraw/zinc/95/38/78/1071953878.db2.gz NQFRTLAJPIJDKU-DZUCGIPZSA-N 1 0 376.457 -0.374 20 0 GBADRO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001683492089 1071954083 /nfs/dbraw/zinc/95/40/83/1071954083.db2.gz QEUBFJMSLQARTF-CBZIJGRNSA-N 1 0 376.457 -0.201 20 0 GBADRO CC(C)CC(=O)NCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001683492512 1071954069 /nfs/dbraw/zinc/95/40/69/1071954069.db2.gz YOIHGGBVQLYWRC-FPCVCCKLSA-N 1 0 382.505 -0.433 20 0 GBADRO CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001683495352 1071954030 /nfs/dbraw/zinc/95/40/30/1071954030.db2.gz JYPWZUVFRMXXLU-FPCVCCKLSA-N 1 0 382.505 -0.337 20 0 GBADRO CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1O ZINC001683495436 1071953672 /nfs/dbraw/zinc/95/36/72/1071953672.db2.gz NAXCULOCLBGPNQ-XOUADPBQSA-N 1 0 391.472 -0.150 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CCCNC(=O)C3CC3)[C@@H](O)C2)CC[N@@H+]1C ZINC001683510703 1071954467 /nfs/dbraw/zinc/95/44/67/1071954467.db2.gz RNFXWDRUKXYLRS-MIGQKNRLSA-N 1 0 380.489 -0.679 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CN(C)C(=O)C3CC3)[C@@H](O)C2)CC[N@@H+]1C ZINC001683510853 1071954481 /nfs/dbraw/zinc/95/44/81/1071954481.db2.gz SUKMYGWWNURXJC-JJXSEGSLSA-N 1 0 380.489 -0.727 20 0 GBADRO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1O ZINC001683513980 1071954458 /nfs/dbraw/zinc/95/44/58/1071954458.db2.gz AXLJUVDBSCINIW-WZSRKYPNSA-N 1 0 377.485 -0.026 20 0 GBADRO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1O ZINC001683514077 1071954723 /nfs/dbraw/zinc/95/47/23/1071954723.db2.gz FRXNQKSUKXUESX-WZSRKYPNSA-N 1 0 377.485 -0.026 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001683514601 1071954752 /nfs/dbraw/zinc/95/47/52/1071954752.db2.gz KOHLHWKVTIZDST-QXSJWSMHSA-N 1 0 380.489 -0.548 20 0 GBADRO C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2O)CCC1 ZINC001683521047 1071954427 /nfs/dbraw/zinc/95/44/27/1071954427.db2.gz XAYUTYBNXDZRGC-ARKGTOAJSA-N 1 0 381.473 -0.790 20 0 GBADRO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001683542065 1071955448 /nfs/dbraw/zinc/95/54/48/1071955448.db2.gz IFRQSDVBTUGGBV-UKBAYJJMSA-N 1 0 391.468 -0.217 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001683544091 1071955206 /nfs/dbraw/zinc/95/52/06/1071955206.db2.gz ATGSWJMNJZWRKO-GOSISDBHSA-N 1 0 377.445 -0.150 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001683544092 1071955462 /nfs/dbraw/zinc/95/54/62/1071955462.db2.gz ATGSWJMNJZWRKO-SFHVURJKSA-N 1 0 377.445 -0.150 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC001683545137 1071955163 /nfs/dbraw/zinc/95/51/63/1071955163.db2.gz RMKNKKUQGRNKMK-UHFFFAOYSA-N 1 0 389.456 -0.006 20 0 GBADRO CC(C)C[C@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(=O)N1CCOCC1 ZINC001683560991 1071956028 /nfs/dbraw/zinc/95/60/28/1071956028.db2.gz NXQQXRJCCPOXLT-INIZCTEOSA-N 1 0 397.520 -0.325 20 0 GBADRO CC(C)C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C(=O)N1CCOCC1 ZINC001683561388 1071955913 /nfs/dbraw/zinc/95/59/13/1071955913.db2.gz USSRYUAFUDUMRD-INIZCTEOSA-N 1 0 399.536 -0.079 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CCCCc3c[nH]nn3)[C@@H](O)C2)CC[N@@H+]1C ZINC001683585897 1071956625 /nfs/dbraw/zinc/95/66/25/1071956625.db2.gz JDUISSPCFNHMQN-MIGQKNRLSA-N 1 0 378.477 -0.454 20 0 GBADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001683591405 1071957188 /nfs/dbraw/zinc/95/71/88/1071957188.db2.gz FDZZMCYATBDOAA-CABCVRRESA-N 1 0 398.508 -0.732 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001683591406 1071956741 /nfs/dbraw/zinc/95/67/41/1071956741.db2.gz FDZZMCYATBDOAA-GJZGRUSLSA-N 1 0 398.508 -0.732 20 0 GBADRO CNC(=O)NC[C@@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001683591407 1071957034 /nfs/dbraw/zinc/95/70/34/1071957034.db2.gz FDZZMCYATBDOAA-HUUCEWRRSA-N 1 0 398.508 -0.732 20 0 GBADRO CNC(=O)NC[C@H]1COCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001683591408 1071957162 /nfs/dbraw/zinc/95/71/62/1071957162.db2.gz FDZZMCYATBDOAA-LSDHHAIUSA-N 1 0 398.508 -0.732 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)CS(N)(=O)=O ZINC001683591756 1071956590 /nfs/dbraw/zinc/95/65/90/1071956590.db2.gz QAQUQIYQOBUVNP-CYBMUJFWSA-N 1 0 391.538 -0.457 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)CS(N)(=O)=O ZINC001683591757 1071957146 /nfs/dbraw/zinc/95/71/46/1071957146.db2.gz QAQUQIYQOBUVNP-ZDUSSCGKSA-N 1 0 391.538 -0.457 20 0 GBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001683595726 1071956774 /nfs/dbraw/zinc/95/67/74/1071956774.db2.gz QABHUBGWKRSODI-AWEZNQCLSA-N 1 0 394.476 -0.419 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001683595727 1071956849 /nfs/dbraw/zinc/95/68/49/1071956849.db2.gz QABHUBGWKRSODI-CQSZACIVSA-N 1 0 394.476 -0.419 20 0 GBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC(C)(C)CNS(C)(=O)=O 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1071957744 /nfs/dbraw/zinc/95/77/44/1071957744.db2.gz KVYUJFYQFKTPSM-JJXSEGSLSA-N 1 0 377.489 -0.229 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)COCc3ccncc3)[C@@H](O)C2)CC[N@@H+]1C ZINC001683637310 1071958855 /nfs/dbraw/zinc/95/88/55/1071958855.db2.gz CUQSREOPQJCEBI-DZUCGIPZSA-N 1 0 376.457 -0.374 20 0 GBADRO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2O)CC1 ZINC001683641836 1071958555 /nfs/dbraw/zinc/95/85/55/1071958555.db2.gz QKFGKAAQITUCIW-ARKGTOAJSA-N 1 0 381.473 -0.932 20 0 GBADRO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cn1 ZINC001683641847 1071958649 /nfs/dbraw/zinc/95/86/49/1071958649.db2.gz QRGNEPCWWRELGE-JJXSEGSLSA-N 1 0 375.473 -0.447 20 0 GBADRO NC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001683669373 1071958948 /nfs/dbraw/zinc/95/89/48/1071958948.db2.gz OOSUDEWZXMWZOB-DLBZAZTESA-N 1 0 396.536 -0.127 20 0 GBADRO NC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001683669374 1071959741 /nfs/dbraw/zinc/95/97/41/1071959741.db2.gz OOSUDEWZXMWZOB-IAGOWNOFSA-N 1 0 396.536 -0.127 20 0 GBADRO NC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001683669375 1071959492 /nfs/dbraw/zinc/95/94/92/1071959492.db2.gz OOSUDEWZXMWZOB-IRXDYDNUSA-N 1 0 396.536 -0.127 20 0 GBADRO NC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001683669376 1071959357 /nfs/dbraw/zinc/95/93/57/1071959357.db2.gz OOSUDEWZXMWZOB-SJORKVTESA-N 1 0 396.536 -0.127 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CNC(=O)c3ccccc3)[C@@H](O)C2)CC[N@@H+]1C ZINC001683671766 1071959479 /nfs/dbraw/zinc/95/94/79/1071959479.db2.gz IEJFUESAXHZTRG-DZUCGIPZSA-N 1 0 388.468 -0.556 20 0 GBADRO Cn1ccn2c(CNC(=O)N3CCC([N@H+](C)CCCO)CC3)nnc2c1=O ZINC001683683179 1071959712 /nfs/dbraw/zinc/95/97/12/1071959712.db2.gz FXBKPQCVXUONCQ-UHFFFAOYSA-N 1 0 377.449 -0.584 20 0 GBADRO C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1O)CC(C)(C)C ZINC001683697166 1071959673 /nfs/dbraw/zinc/95/96/73/1071959673.db2.gz OXLAREXQWOXJSH-BARDWOONSA-N 1 0 382.505 -0.446 20 0 GBADRO C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)CCCCC1 ZINC001683697302 1071959598 /nfs/dbraw/zinc/95/95/98/1071959598.db2.gz ULTVABNASYWFDP-BARDWOONSA-N 1 0 380.489 -0.692 20 0 GBADRO C[C@@]1(c2cccc(CNC(=O)NCC[NH+]3CCC(O)CC3)c2)NC(=O)NC1=O ZINC001683703026 1071960448 /nfs/dbraw/zinc/96/04/48/1071960448.db2.gz CLDFLXQVVBFYEI-IBGZPJMESA-N 1 0 389.456 -0.003 20 0 GBADRO C[C@]1(c2cccc(CNC(=O)NCC[NH+]3CCC(O)CC3)c2)NC(=O)NC1=O ZINC001683703027 1071960438 /nfs/dbraw/zinc/96/04/38/1071960438.db2.gz CLDFLXQVVBFYEI-LJQANCHMSA-N 1 0 389.456 -0.003 20 0 GBADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001683737828 1071961190 /nfs/dbraw/zinc/96/11/90/1071961190.db2.gz LJLQLKNJOVJPAJ-UHFFFAOYSA-N 1 0 379.465 -0.336 20 0 GBADRO C[C@]1(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)NC(=O)NC1=O ZINC001683758638 1071961669 /nfs/dbraw/zinc/96/16/69/1071961669.db2.gz OYOWQNFMAGSOBS-KBXCAEBGSA-N 1 0 375.429 -0.393 20 0 GBADRO C[C@@]1(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)NC(=O)NC1=O ZINC001683758643 1071961858 /nfs/dbraw/zinc/96/18/58/1071961858.db2.gz OYOWQNFMAGSOBS-KSSFIOAISA-N 1 0 375.429 -0.393 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001683785958 1071961749 /nfs/dbraw/zinc/96/17/49/1071961749.db2.gz BCNHTAYCBILBRJ-GJZGRUSLSA-N 1 0 377.555 -0.161 20 0 GBADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001683785959 1071961787 /nfs/dbraw/zinc/96/17/87/1071961787.db2.gz BCNHTAYCBILBRJ-LSDHHAIUSA-N 1 0 377.555 -0.161 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001683801364 1071961908 /nfs/dbraw/zinc/96/19/08/1071961908.db2.gz GSIFYNHMKMQLOD-KBUPBQIOSA-N 1 0 386.518 -0.675 20 0 GBADRO CCS(=O)(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001683808072 1071961634 /nfs/dbraw/zinc/96/16/34/1071961634.db2.gz CQSBAULWJUQUJO-KBUPBQIOSA-N 1 0 386.518 -0.675 20 0 GBADRO COCCn1nnc2c1CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C2 ZINC001683840343 1071962795 /nfs/dbraw/zinc/96/27/95/1071962795.db2.gz APIVPVZYGWSVQB-HNNXBMFYSA-N 1 0 379.465 -0.668 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840411 1071962371 /nfs/dbraw/zinc/96/23/71/1071962371.db2.gz CBSVOFBGTBHJSK-JYJNAYRXSA-N 1 0 397.520 -0.101 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840412 1071962525 /nfs/dbraw/zinc/96/25/25/1071962525.db2.gz CBSVOFBGTBHJSK-OAGGEKHMSA-N 1 0 397.520 -0.101 20 0 GBADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840413 1071962543 /nfs/dbraw/zinc/96/25/43/1071962543.db2.gz CBSVOFBGTBHJSK-PMPSAXMXSA-N 1 0 397.520 -0.101 20 0 GBADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840414 1071962503 /nfs/dbraw/zinc/96/25/03/1071962503.db2.gz CBSVOFBGTBHJSK-XHSDSOJGSA-N 1 0 397.520 -0.101 20 0 GBADRO COCCO[C@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840568 1071962471 /nfs/dbraw/zinc/96/24/71/1071962471.db2.gz HFVAWDAHZUYRMP-JYJNAYRXSA-N 1 0 386.493 -0.618 20 0 GBADRO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840569 1071962488 /nfs/dbraw/zinc/96/24/88/1071962488.db2.gz HFVAWDAHZUYRMP-OAGGEKHMSA-N 1 0 386.493 -0.618 20 0 GBADRO COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840570 1071962571 /nfs/dbraw/zinc/96/25/71/1071962571.db2.gz HFVAWDAHZUYRMP-PMPSAXMXSA-N 1 0 386.493 -0.618 20 0 GBADRO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001683840571 1071962590 /nfs/dbraw/zinc/96/25/90/1071962590.db2.gz HFVAWDAHZUYRMP-XHSDSOJGSA-N 1 0 386.493 -0.618 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001683840937 1071962417 /nfs/dbraw/zinc/96/24/17/1071962417.db2.gz LWWJTRKQOCTTLZ-HNNXBMFYSA-N 1 0 380.493 -0.227 20 0 GBADRO COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)O1 ZINC001683841299 1071962394 /nfs/dbraw/zinc/96/23/94/1071962394.db2.gz REGZCVYUWQNXEP-LUKYLMHMSA-N 1 0 398.504 -0.069 20 0 GBADRO COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)O1 ZINC001683841300 1071962436 /nfs/dbraw/zinc/96/24/36/1071962436.db2.gz REGZCVYUWQNXEP-MWDXBVQZSA-N 1 0 398.504 -0.069 20 0 GBADRO COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)O1 ZINC001683841301 1071962647 /nfs/dbraw/zinc/96/26/47/1071962647.db2.gz REGZCVYUWQNXEP-NXOAAHMSSA-N 1 0 398.504 -0.069 20 0 GBADRO COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)O1 ZINC001683841302 1071962664 /nfs/dbraw/zinc/96/26/64/1071962664.db2.gz REGZCVYUWQNXEP-QAETUUGQSA-N 1 0 398.504 -0.069 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c2ccccc2)CC1 ZINC001683882928 1071963200 /nfs/dbraw/zinc/96/32/00/1071963200.db2.gz IIYLZIVHPWUAEU-DOTOQJQBSA-N 1 0 388.472 -0.096 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)c2ccccc2)CC1 ZINC001683882929 1071963264 /nfs/dbraw/zinc/96/32/64/1071963264.db2.gz IIYLZIVHPWUAEU-NVXWUHKLSA-N 1 0 388.472 -0.096 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c2ccccc2)CC1 ZINC001683882930 1071963210 /nfs/dbraw/zinc/96/32/10/1071963210.db2.gz IIYLZIVHPWUAEU-RDJZCZTQSA-N 1 0 388.472 -0.096 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)c2ccccc2)CC1 ZINC001683882931 1071963192 /nfs/dbraw/zinc/96/31/92/1071963192.db2.gz IIYLZIVHPWUAEU-WBVHZDCISA-N 1 0 388.472 -0.096 20 0 GBADRO C[NH+]1CCN(C[C@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c2ccccc2)CC1 ZINC001683883416 1071963278 /nfs/dbraw/zinc/96/32/78/1071963278.db2.gz OPJOJVAJJDQGKF-BBWFWOEESA-N 1 0 385.468 -0.111 20 0 GBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c2ccccc2)CC1 ZINC001683883417 1071963344 /nfs/dbraw/zinc/96/33/44/1071963344.db2.gz OPJOJVAJJDQGKF-IXDOHACOSA-N 1 0 385.468 -0.111 20 0 GBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC001683892101 1071963242 /nfs/dbraw/zinc/96/32/42/1071963242.db2.gz DTOZGLZFZZSTQZ-GASCZTMLSA-N 1 0 387.440 -0.608 20 0 GBADRO Cn1nnnc1CCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001683897639 1071963248 /nfs/dbraw/zinc/96/32/48/1071963248.db2.gz TXBXYZGERWKLGZ-UHFFFAOYSA-N 1 0 388.476 -0.067 20 0 GBADRO O=C(NCc1nnnn1-c1ccccc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001683970277 1071964485 /nfs/dbraw/zinc/96/44/85/1071964485.db2.gz HIRGBLGVOCJHAK-MAUKXSAKSA-N 1 0 387.444 -0.313 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001683980569 1071964771 /nfs/dbraw/zinc/96/47/71/1071964771.db2.gz FIENQTBQCLPBQI-KBUPBQIOSA-N 1 0 388.534 -0.238 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1C ZINC001683980679 1071964620 /nfs/dbraw/zinc/96/46/20/1071964620.db2.gz JJHKQIXXJKHQMX-KBUPBQIOSA-N 1 0 388.534 -0.061 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC001683995579 1071965287 /nfs/dbraw/zinc/96/52/87/1071965287.db2.gz BFCMCOZDKOIRSM-NSHDSACASA-N 1 0 382.494 -0.708 20 0 GBADRO C[C@]1(C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)NC(=O)NC1=O ZINC001683996272 1071965408 /nfs/dbraw/zinc/96/54/08/1071965408.db2.gz KXRSRPLMSIWSMJ-FHSNZYRGSA-N 1 0 394.476 -0.512 20 0 GBADRO C[C@@]1(C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)NC(=O)NC1=O ZINC001683996282 1071965364 /nfs/dbraw/zinc/96/53/64/1071965364.db2.gz KXRSRPLMSIWSMJ-LXIYXOSZSA-N 1 0 394.476 -0.512 20 0 GBADRO C[C@@]1(C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)NC(=O)NC1=O ZINC001683996285 1071965374 /nfs/dbraw/zinc/96/53/74/1071965374.db2.gz KXRSRPLMSIWSMJ-VBHSOAQHSA-N 1 0 394.476 -0.512 20 0 GBADRO C[C@]1(C[C@@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)NC(=O)NC1=O ZINC001683996287 1071965444 /nfs/dbraw/zinc/96/54/44/1071965444.db2.gz KXRSRPLMSIWSMJ-ZJNRKIDTSA-N 1 0 394.476 -0.512 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001683996438 1071965357 /nfs/dbraw/zinc/96/53/57/1071965357.db2.gz PBYICBAYPZQAHX-ZDUSSCGKSA-N 1 0 375.495 -0.964 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001683996760 1071965307 /nfs/dbraw/zinc/96/53/07/1071965307.db2.gz RZIHETGHNCCABT-AWEZNQCLSA-N 1 0 384.477 -0.326 20 0 GBADRO COC(=O)c1cc(C2CN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)[nH]n1 ZINC001683996815 1071965270 /nfs/dbraw/zinc/96/52/70/1071965270.db2.gz TZKXUTIFKMDBOE-AWEZNQCLSA-N 1 0 378.433 -0.355 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001683997024 1071965389 /nfs/dbraw/zinc/96/53/89/1071965389.db2.gz UIWCEEVOTYPSGV-DKUMPPAJSA-N 1 0 386.518 -0.019 20 0 GBADRO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCCNc1cc[nH+]cc1 ZINC001684001896 1071965395 /nfs/dbraw/zinc/96/53/95/1071965395.db2.gz AOILWIBXOLMWNQ-UHFFFAOYSA-N 1 0 398.467 -0.011 20 0 GBADRO C[NH+]1CCC(O)(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001684009413 1071965350 /nfs/dbraw/zinc/96/53/50/1071965350.db2.gz KAODQZLGHRYIFL-UHFFFAOYSA-N 1 0 391.472 -0.825 20 0 GBADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019833 1071965975 /nfs/dbraw/zinc/96/59/75/1071965975.db2.gz SYNMYWWIQZAJHE-CABCVRRESA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019834 1071965984 /nfs/dbraw/zinc/96/59/84/1071965984.db2.gz SYNMYWWIQZAJHE-GJZGRUSLSA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019835 1071966135 /nfs/dbraw/zinc/96/61/35/1071966135.db2.gz SYNMYWWIQZAJHE-HUUCEWRRSA-N 1 0 388.476 -0.151 20 0 GBADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001684019836 1071966073 /nfs/dbraw/zinc/96/60/73/1071966073.db2.gz SYNMYWWIQZAJHE-LSDHHAIUSA-N 1 0 388.476 -0.151 20 0 GBADRO CC1(C)CN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC[N@@H+]1CCO ZINC001684020557 1071966043 /nfs/dbraw/zinc/96/60/43/1071966043.db2.gz ZBZBVDDKDISCDH-AWEZNQCLSA-N 1 0 388.476 -0.199 20 0 GBADRO CC1(C)CN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC[N@@H+]1CCO ZINC001684020558 1071966007 /nfs/dbraw/zinc/96/60/07/1071966007.db2.gz ZBZBVDDKDISCDH-CQSZACIVSA-N 1 0 388.476 -0.199 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001684023813 1071966764 /nfs/dbraw/zinc/96/67/64/1071966764.db2.gz DWOSRIXWVHYNEO-AWEZNQCLSA-N 1 0 375.491 -0.521 20 0 GBADRO O=C(NCC1(O)CCS(=O)(=O)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001684023814 1071967003 /nfs/dbraw/zinc/96/70/03/1071967003.db2.gz DWOSRIXWVHYNEO-CQSZACIVSA-N 1 0 375.491 -0.521 20 0 GBADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001684039650 1071966920 /nfs/dbraw/zinc/96/69/20/1071966920.db2.gz QMFSSEWFCQMSKJ-DZGCQCFKSA-N 1 0 386.493 -0.030 20 0 GBADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001684039655 1071966966 /nfs/dbraw/zinc/96/69/66/1071966966.db2.gz QMFSSEWFCQMSKJ-HIFRSBDPSA-N 1 0 386.493 -0.030 20 0 GBADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001684039657 1071966698 /nfs/dbraw/zinc/96/66/98/1071966698.db2.gz QMFSSEWFCQMSKJ-UKRRQHHQSA-N 1 0 386.493 -0.030 20 0 GBADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001684039658 1071966825 /nfs/dbraw/zinc/96/68/25/1071966825.db2.gz QMFSSEWFCQMSKJ-ZFWWWQNUSA-N 1 0 386.493 -0.030 20 0 GBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCOC[C@H]1O ZINC001684077887 1071967857 /nfs/dbraw/zinc/96/78/57/1071967857.db2.gz AJQBJICKZXMEMU-HZPDHXFCSA-N 1 0 378.477 -0.172 20 0 GBADRO CN(CCS(N)(=O)=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001684079197 1071967842 /nfs/dbraw/zinc/96/78/42/1071967842.db2.gz MFDDMOJSPYSFOU-UHFFFAOYSA-N 1 0 399.521 -0.691 20 0 GBADRO COC(=O)c1cnc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)s1 ZINC001684144549 1071968465 /nfs/dbraw/zinc/96/84/65/1071968465.db2.gz IZBKMYKAZOECAN-MEDUHNTESA-N 1 0 384.458 -0.045 20 0 GBADRO Cn1ccn2c(CCNC(=O)N3CCC(OCC[NH+](C)C)CC3)nnc2c1=O ZINC001684164366 1071968367 /nfs/dbraw/zinc/96/83/67/1071968367.db2.gz PHLTZVYXORFXLR-UHFFFAOYSA-N 1 0 391.476 -0.277 20 0 GBADRO C[C@@H]1CN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1CC(C)(C)O ZINC001684165288 1071969069 /nfs/dbraw/zinc/96/90/69/1071969069.db2.gz XYWWJHIJDLRDPF-CYBMUJFWSA-N 1 0 391.476 -0.543 20 0 GBADRO C[C@H]1CN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1CC(C)(C)O ZINC001684165289 1071969034 /nfs/dbraw/zinc/96/90/34/1071969034.db2.gz XYWWJHIJDLRDPF-ZDUSSCGKSA-N 1 0 391.476 -0.543 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684170037 1071969517 /nfs/dbraw/zinc/96/95/17/1071969517.db2.gz ZCXKBIVWOMSOCM-CHWSQXEVSA-N 1 0 377.449 -0.933 20 0 GBADRO C[C@@H]1CN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)C[N@@H+]1CCO ZINC001684170038 1071969014 /nfs/dbraw/zinc/96/90/14/1071969014.db2.gz ZCXKBIVWOMSOCM-OLZOCXBDSA-N 1 0 377.449 -0.933 20 0 GBADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684170039 1071969424 /nfs/dbraw/zinc/96/94/24/1071969424.db2.gz ZCXKBIVWOMSOCM-QWHCGFSZSA-N 1 0 377.449 -0.933 20 0 GBADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684170040 1071969486 /nfs/dbraw/zinc/96/94/86/1071969486.db2.gz ZCXKBIVWOMSOCM-STQMWFEESA-N 1 0 377.449 -0.933 20 0 GBADRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CC3(C2)NC(=O)NC3=O)cc1 ZINC001684181346 1071969396 /nfs/dbraw/zinc/96/93/96/1071969396.db2.gz YRBFUFFJGIEBNK-UHFFFAOYSA-N 1 0 375.429 -0.227 20 0 GBADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001684184293 1071969167 /nfs/dbraw/zinc/96/91/67/1071969167.db2.gz JNCGFVPKVFMHKG-GOSISDBHSA-N 1 0 396.513 -0.213 20 0 GBADRO C[NH+]1CCN(c2ccccc2CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001684184294 1071969506 /nfs/dbraw/zinc/96/95/06/1071969506.db2.gz JNCGFVPKVFMHKG-SFHVURJKSA-N 1 0 396.513 -0.213 20 0 GBADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001684194224 1071970345 /nfs/dbraw/zinc/97/03/45/1071970345.db2.gz NUSVSFODTWHOTB-UHFFFAOYSA-N 1 0 375.433 -0.329 20 0 GBADRO O=C(NCc1nnc2c(=O)[nH]ccn12)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001684194583 1071970099 /nfs/dbraw/zinc/97/00/99/1071970099.db2.gz SWMWKANQDSKFJK-IBGZPJMESA-N 1 0 397.439 -0.146 20 0 GBADRO O=C(NCc1nnc2c(=O)[nH]ccn12)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001684194584 1071970290 /nfs/dbraw/zinc/97/02/90/1071970290.db2.gz SWMWKANQDSKFJK-LJQANCHMSA-N 1 0 397.439 -0.146 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001684201765 1071969963 /nfs/dbraw/zinc/96/99/63/1071969963.db2.gz NCBUOFGVOFEUTG-UHFFFAOYSA-N 1 0 398.551 -0.422 20 0 GBADRO COCc1nnc2n1CCN(C(=O)N[C@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001684301173 1071972288 /nfs/dbraw/zinc/97/22/88/1071972288.db2.gz COSZFWVDENEQTC-HNNXBMFYSA-N 1 0 393.492 -0.644 20 0 GBADRO COCc1nnc2n1CCN(C(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)C2 ZINC001684301174 1071972703 /nfs/dbraw/zinc/97/27/03/1071972703.db2.gz COSZFWVDENEQTC-OAHLLOKOSA-N 1 0 393.492 -0.644 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001684301376 1071972464 /nfs/dbraw/zinc/97/24/64/1071972464.db2.gz IHYGDUMHUIBGHW-CABCVRRESA-N 1 0 391.538 -0.980 20 0 GBADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001684301377 1071972683 /nfs/dbraw/zinc/97/26/83/1071972683.db2.gz IHYGDUMHUIBGHW-GJZGRUSLSA-N 1 0 391.538 -0.980 20 0 GBADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001684301378 1071972239 /nfs/dbraw/zinc/97/22/39/1071972239.db2.gz IHYGDUMHUIBGHW-HUUCEWRRSA-N 1 0 391.538 -0.980 20 0 GBADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001684301379 1071972764 /nfs/dbraw/zinc/97/27/64/1071972764.db2.gz IHYGDUMHUIBGHW-LSDHHAIUSA-N 1 0 391.538 -0.980 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC001684312772 1071973800 /nfs/dbraw/zinc/97/38/00/1071973800.db2.gz WASJQTNLGQONRU-UHFFFAOYSA-N 1 0 377.511 -0.989 20 0 GBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001684348988 1071973427 /nfs/dbraw/zinc/97/34/27/1071973427.db2.gz JRCWXZNQUAGHHB-GFCCVEGCSA-N 1 0 386.478 -0.598 20 0 GBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001684348989 1071973732 /nfs/dbraw/zinc/97/37/32/1071973732.db2.gz JRCWXZNQUAGHHB-LBPRGKRZSA-N 1 0 386.478 -0.598 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001684365613 1071974344 /nfs/dbraw/zinc/97/43/44/1071974344.db2.gz DTOPUVIBQHEMFE-KBPBESRZSA-N 1 0 399.492 -0.752 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)Cn3cnc(C(N)=O)n3)C2)CC[N@@H+]1C ZINC001684425237 1071974498 /nfs/dbraw/zinc/97/44/98/1071974498.db2.gz DEIUMEKZTANUDS-XJFOESAGSA-N 1 0 391.476 -0.882 20 0 GBADRO COCC(COC)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001684431008 1071975052 /nfs/dbraw/zinc/97/50/52/1071975052.db2.gz FSLXJTXRTAJILX-KRWDZBQOSA-N 1 0 385.553 -0.142 20 0 GBADRO COCC(COC)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC001684431009 1071975344 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C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001686089429 1072029955 /nfs/dbraw/zinc/02/99/55/1072029955.db2.gz HTSAYEMIMOMTJS-KBXIAJHMSA-N 1 0 375.477 -0.175 20 0 GBADRO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001686089430 1072030304 /nfs/dbraw/zinc/03/03/04/1072030304.db2.gz HTSAYEMIMOMTJS-XGUBFFRZSA-N 1 0 375.477 -0.175 20 0 GBADRO CC(C)NS(=O)(=O)NCCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001686095153 1072030786 /nfs/dbraw/zinc/03/07/86/1072030786.db2.gz XHQTYYANWQTFRT-UHFFFAOYSA-N 1 0 391.538 -0.427 20 0 GBADRO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001686096568 1072030610 /nfs/dbraw/zinc/03/06/10/1072030610.db2.gz BNEXRPZZLQMUNW-RDBSUJKOSA-N 1 0 379.461 -0.482 20 0 GBADRO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O ZINC001686096807 1072031059 /nfs/dbraw/zinc/03/10/59/1072031059.db2.gz IZSWIWTYRMHQDH-RDBSUJKOSA-N 1 0 379.461 -0.530 20 0 GBADRO COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)nn1 ZINC001686096849 1072030948 /nfs/dbraw/zinc/03/09/48/1072030948.db2.gz JUAVTNPBSPIBMX-SNPRPXQTSA-N 1 0 377.445 -0.075 20 0 GBADRO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CC[NH+](C)CC1 ZINC001686125220 1072032470 /nfs/dbraw/zinc/03/24/70/1072032470.db2.gz MOEIAQNRXJFYSE-YUELXQCFSA-N 1 0 382.461 -0.299 20 0 GBADRO NC(=O)NC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001686146227 1072034067 /nfs/dbraw/zinc/03/40/67/1072034067.db2.gz VBTFGBHXJMDTHH-BARDWOONSA-N 1 0 375.473 -0.223 20 0 GBADRO NC(=O)NC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001686146228 1072033694 /nfs/dbraw/zinc/03/36/94/1072033694.db2.gz VBTFGBHXJMDTHH-TUVASFSCSA-N 1 0 375.473 -0.223 20 0 GBADRO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CC[NH+](C)CC1 ZINC001686148818 1072033740 /nfs/dbraw/zinc/03/37/40/1072033740.db2.gz HXHCXCVKVCQMBG-MXYBEHONSA-N 1 0 381.477 -0.598 20 0 GBADRO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001686157937 1072034558 /nfs/dbraw/zinc/03/45/58/1072034558.db2.gz KTSLAQJEHJBGSE-RQJABVFESA-N 1 0 379.461 -0.436 20 0 GBADRO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001686157938 1072034663 /nfs/dbraw/zinc/03/46/63/1072034663.db2.gz KTSLAQJEHJBGSE-SYQHCUMBSA-N 1 0 379.461 -0.436 20 0 GBADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C(C)(C)C)C2 ZINC001686158902 1072035197 /nfs/dbraw/zinc/03/51/97/1072035197.db2.gz NZHCCJINFMGUJO-KFWWJZLASA-N 1 0 382.505 -0.025 20 0 GBADRO CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001686162480 1072035267 /nfs/dbraw/zinc/03/52/67/1072035267.db2.gz QHPZITHTMQMCPG-MQYQWHSLSA-N 1 0 379.461 -0.436 20 0 GBADRO Cn1ncnc1COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001686165070 1072036376 /nfs/dbraw/zinc/03/63/76/1072036376.db2.gz OEGYIWGEIPUCPN-KFWWJZLASA-N 1 0 376.461 -0.324 20 0 GBADRO Cn1cnnc1COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001686165139 1072036211 /nfs/dbraw/zinc/03/62/11/1072036211.db2.gz QXUIEGFFEDHOCW-TUVASFSCSA-N 1 0 376.461 -0.469 20 0 GBADRO Cn1cnnc1COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001686165140 1072036336 /nfs/dbraw/zinc/03/63/36/1072036336.db2.gz QXUIEGFFEDHOCW-YJNKXOJESA-N 1 0 376.461 -0.469 20 0 GBADRO CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001686165522 1072036311 /nfs/dbraw/zinc/03/63/11/1072036311.db2.gz BTDOVDQYFJPFCF-DZUCGIPZSA-N 1 0 380.489 -0.319 20 0 GBADRO CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001686165523 1072036191 /nfs/dbraw/zinc/03/61/91/1072036191.db2.gz BTDOVDQYFJPFCF-SVGFKBNWSA-N 1 0 380.489 -0.319 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C)n1 ZINC001686166203 1072036393 /nfs/dbraw/zinc/03/63/93/1072036393.db2.gz RPOFPJPBOMESSV-DGAVXFQQSA-N 1 0 377.449 -0.960 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C)n1 ZINC001686166204 1072035983 /nfs/dbraw/zinc/03/59/83/1072035983.db2.gz RPOFPJPBOMESSV-SYQHCUMBSA-N 1 0 377.449 -0.960 20 0 GBADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O ZINC001686166390 1072036357 /nfs/dbraw/zinc/03/63/57/1072036357.db2.gz VKJIBOQGSWQZEA-TUVASFSCSA-N 1 0 381.477 -0.739 20 0 GBADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O ZINC001686166391 1072036110 /nfs/dbraw/zinc/03/61/10/1072036110.db2.gz VKJIBOQGSWQZEA-YJNKXOJESA-N 1 0 381.477 -0.739 20 0 GBADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COCc2nncn2C)CC[N@@H+]1C ZINC001686172566 1072036056 /nfs/dbraw/zinc/03/60/56/1072036056.db2.gz HDVOXGVAIIRCNX-QCODTGAPSA-N 1 0 390.488 -0.080 20 0 GBADRO COCC(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001686172736 1072035841 /nfs/dbraw/zinc/03/58/41/1072035841.db2.gz NOTDVMVQUVANCO-QCODTGAPSA-N 1 0 380.489 -0.273 20 0 GBADRO COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001686182150 1072036860 /nfs/dbraw/zinc/03/68/60/1072036860.db2.gz IZUUGIJSFIGCME-FPCVCCKLSA-N 1 0 380.489 -0.271 20 0 GBADRO COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001686182151 1072036740 /nfs/dbraw/zinc/03/67/40/1072036740.db2.gz IZUUGIJSFIGCME-JJXSEGSLSA-N 1 0 380.489 -0.271 20 0 GBADRO COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001686182239 1072037211 /nfs/dbraw/zinc/03/72/11/1072037211.db2.gz MSTIWYUXZABDSR-KFWWJZLASA-N 1 0 380.489 -0.129 20 0 GBADRO COCC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC001686182333 1072037260 /nfs/dbraw/zinc/03/72/60/1072037260.db2.gz PVCWAFNWLXUISB-OAGGEKHMSA-N 1 0 380.489 -0.176 20 0 GBADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 ZINC001686185710 1072037926 /nfs/dbraw/zinc/03/79/26/1072037926.db2.gz SKNPNELHTCPSFI-OAGGEKHMSA-N 1 0 379.505 -0.651 20 0 GBADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C ZINC001686185811 1072037992 /nfs/dbraw/zinc/03/79/92/1072037992.db2.gz WPEVQSYJHIJSGY-KFWWJZLASA-N 1 0 378.477 -0.080 20 0 GBADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001686185818 1072037898 /nfs/dbraw/zinc/03/78/98/1072037898.db2.gz WTEJTVOJWJLXOV-MCIONIFRSA-N 1 0 377.445 -0.463 20 0 GBADRO C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)CCC1 ZINC001686187043 1072038509 /nfs/dbraw/zinc/03/85/09/1072038509.db2.gz DIRKCLVWLCSJHP-KFWWJZLASA-N 1 0 377.489 -0.849 20 0 GBADRO C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 ZINC001686187516 1072038447 /nfs/dbraw/zinc/03/84/47/1072038447.db2.gz WAFNZHGAOKOKLK-NIFZNCRKSA-N 1 0 378.473 -0.248 20 0 GBADRO C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)C(N)=O)C3)CC1 ZINC001686188585 1072038506 /nfs/dbraw/zinc/03/85/06/1072038506.db2.gz HRHVDFWJWYAJLV-YUELXQCFSA-N 1 0 380.489 -0.143 20 0 GBADRO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC001686188922 1072038397 /nfs/dbraw/zinc/03/83/97/1072038397.db2.gz WBQYQWNEGUHEHH-BIGJJFBESA-N 1 0 379.461 -0.581 20 0 GBADRO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O)[NH+](C)C ZINC001686188988 1072038462 /nfs/dbraw/zinc/03/84/62/1072038462.db2.gz YYEOABJOLDUYDL-FOCJUVANSA-N 1 0 379.461 -0.628 20 0 GBADRO C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)CC1 ZINC001686189779 1072038577 /nfs/dbraw/zinc/03/85/77/1072038577.db2.gz CDNNZJSNRHWOCE-KFWWJZLASA-N 1 0 378.473 -0.565 20 0 GBADRO C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCC1 ZINC001686190138 1072038582 /nfs/dbraw/zinc/03/85/82/1072038582.db2.gz PXEGWEYNGBOKDY-MQYQWHSLSA-N 1 0 377.445 -0.683 20 0 GBADRO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001686191609 1072038496 /nfs/dbraw/zinc/03/84/96/1072038496.db2.gz XGCSMGUHFMIEAO-WCXIOVBPSA-N 1 0 380.489 -0.176 20 0 GBADRO CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001686194857 1072039408 /nfs/dbraw/zinc/03/94/08/1072039408.db2.gz XFONTWOTPYYJNE-OAGGEKHMSA-N 1 0 379.505 -0.650 20 0 GBADRO CNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001686196532 1072039472 /nfs/dbraw/zinc/03/94/72/1072039472.db2.gz AWQUCHMKKUEPFO-KFWWJZLASA-N 1 0 380.489 -0.271 20 0 GBADRO CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001686196927 1072039522 /nfs/dbraw/zinc/03/95/22/1072039522.db2.gz LYQWINRQJBSUPP-OAGGEKHMSA-N 1 0 380.489 -0.271 20 0 GBADRO C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001686200626 1072039333 /nfs/dbraw/zinc/03/93/33/1072039333.db2.gz DPQJXFJSBDQDPE-MCIONIFRSA-N 1 0 377.445 -0.461 20 0 GBADRO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)CC1=O ZINC001686202100 1072040241 /nfs/dbraw/zinc/04/02/41/1072040241.db2.gz CZWIYBUKMRCMFQ-FPCVCCKLSA-N 1 0 380.489 -0.319 20 0 GBADRO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)CC1=O ZINC001686202101 1072040354 /nfs/dbraw/zinc/04/03/54/1072040354.db2.gz CZWIYBUKMRCMFQ-JJXSEGSLSA-N 1 0 380.489 -0.319 20 0 GBADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(C)(=O)=O)C2 ZINC001686202305 1072039859 /nfs/dbraw/zinc/03/98/59/1072039859.db2.gz LQNAUURCUAHGIK-MCIONIFRSA-N 1 0 375.491 -0.753 20 0 GBADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC001686219071 1072041014 /nfs/dbraw/zinc/04/10/14/1072041014.db2.gz PCUIRRXQLUYHDS-UHFFFAOYSA-N 1 0 375.539 -0.407 20 0 GBADRO CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 ZINC001686225325 1072041615 /nfs/dbraw/zinc/04/16/15/1072041615.db2.gz AJDSJODIRVJKCO-OAGGEKHMSA-N 1 0 379.505 -0.650 20 0 GBADRO CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001686225522 1072041668 /nfs/dbraw/zinc/04/16/68/1072041668.db2.gz DMLPJJJTJXKBIM-MCIONIFRSA-N 1 0 377.445 -0.461 20 0 GBADRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001686238265 1072043005 /nfs/dbraw/zinc/04/30/05/1072043005.db2.gz HQYUPQWJXQQDIU-BNOWGMLFSA-N 1 0 377.445 -0.061 20 0 GBADRO CN(C)C(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001686240842 1072043120 /nfs/dbraw/zinc/04/31/20/1072043120.db2.gz JHGSXZGNQKSIKJ-BMFZPTHFSA-N 1 0 380.489 -0.176 20 0 GBADRO C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001686240849 1072043215 /nfs/dbraw/zinc/04/32/15/1072043215.db2.gz JNRACNGQEWPQRO-JZYAIQKZSA-N 1 0 378.473 -0.533 20 0 GBADRO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)CC1 ZINC001686240912 1072043200 /nfs/dbraw/zinc/04/32/00/1072043200.db2.gz MOCOCABKRCRPHC-KFWWJZLASA-N 1 0 377.489 -0.992 20 0 GBADRO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)CC1 ZINC001686242408 1072043431 /nfs/dbraw/zinc/04/34/31/1072043431.db2.gz IMFQRGCPDWQNRN-UPJWGTAASA-N 1 0 377.445 -0.872 20 0 GBADRO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001686242499 1072042992 /nfs/dbraw/zinc/04/29/92/1072042992.db2.gz MFUZLUDQBAZLSG-NIFZNCRKSA-N 1 0 378.473 -0.391 20 0 GBADRO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O ZINC001686242677 1072043368 /nfs/dbraw/zinc/04/33/68/1072043368.db2.gz SPBMEXSMWOEVEI-MCIONIFRSA-N 1 0 379.461 -0.482 20 0 GBADRO CC(=O)N1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001686242751 1072043385 /nfs/dbraw/zinc/04/33/85/1072043385.db2.gz WNTQWYKQNCVTOB-NCOADZHNSA-N 1 0 380.489 -0.176 20 0 GBADRO CC(=O)N1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)C1 ZINC001686242752 1072043392 /nfs/dbraw/zinc/04/33/92/1072043392.db2.gz WNTQWYKQNCVTOB-WCXIOVBPSA-N 1 0 380.489 -0.176 20 0 GBADRO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001686242847 1072043358 /nfs/dbraw/zinc/04/33/58/1072043358.db2.gz ZYQQSCHPISWKCF-MCIONIFRSA-N 1 0 377.445 -0.461 20 0 GBADRO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001686247999 1072043916 /nfs/dbraw/zinc/04/39/16/1072043916.db2.gz CWTUIDWDTCJIBE-MCIONIFRSA-N 1 0 378.473 -0.029 20 0 GBADRO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)[C@H]1CCCO1 ZINC001686248142 1072043890 /nfs/dbraw/zinc/04/38/90/1072043890.db2.gz IZKIZSOLVGJCDG-LVQVYYBASA-N 1 0 380.489 -0.129 20 0 GBADRO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001686248143 1072043931 /nfs/dbraw/zinc/04/39/31/1072043931.db2.gz IZKIZSOLVGJCDG-WCVJEAGWSA-N 1 0 380.489 -0.129 20 0 GBADRO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH+](C)C ZINC001686249786 1072043961 /nfs/dbraw/zinc/04/39/61/1072043961.db2.gz WBQYQWNEGUHEHH-DGMCESFYSA-N 1 0 379.461 -0.581 20 0 GBADRO COCC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001686249875 1072043867 /nfs/dbraw/zinc/04/38/67/1072043867.db2.gz YWPMKRXXRIQJTP-ZXFNITATSA-N 1 0 382.505 -0.075 20 0 GBADRO C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001686258254 1072043884 /nfs/dbraw/zinc/04/38/84/1072043884.db2.gz RDDWNMVTIQLHDX-JKJDWNRSSA-N 1 0 380.489 -0.286 20 0 GBADRO CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001686258441 1072044060 /nfs/dbraw/zinc/04/40/60/1072044060.db2.gz YSIJBOVHGJCIRD-RBGFHDKUSA-N 1 0 380.489 -0.001 20 0 GBADRO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)[nH]c1=O)[NH+](C)C ZINC001686259913 1072044870 /nfs/dbraw/zinc/04/48/70/1072044870.db2.gz WOGDAEYAGBVOJT-ZZVYKPCYSA-N 1 0 377.445 -0.312 20 0 GBADRO CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001686260844 1072044894 /nfs/dbraw/zinc/04/48/94/1072044894.db2.gz JLYCXILRLLPTDP-MCIONIFRSA-N 1 0 379.461 -0.482 20 0 GBADRO CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001686261225 1072044920 /nfs/dbraw/zinc/04/49/20/1072044920.db2.gz YOHSIKFPABPJJN-MCIONIFRSA-N 1 0 379.461 -0.530 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001686305624 1072045718 /nfs/dbraw/zinc/04/57/18/1072045718.db2.gz HUCSIFAQWBZHOW-RZLSGREXSA-N 1 0 377.441 -0.623 20 0 GBADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001686305625 1072045547 /nfs/dbraw/zinc/04/55/47/1072045547.db2.gz HUCSIFAQWBZHOW-TTZDDIAXSA-N 1 0 377.441 -0.623 20 0 GBADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)CNC(N)=O)C2)CC[N@@H+]1C ZINC001686319571 1072045660 /nfs/dbraw/zinc/04/56/60/1072045660.db2.gz RJIDBDIHFHQEQU-GWOFURMSSA-N 1 0 379.383 -0.500 20 0 GBADRO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001686324583 1072045646 /nfs/dbraw/zinc/04/56/46/1072045646.db2.gz CUCYZYTWZHJXFV-WRWGMCAJSA-N 1 0 378.395 -0.045 20 0 GBADRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001686324635 1072045399 /nfs/dbraw/zinc/04/53/99/1072045399.db2.gz FHLPOAUSAJHWCG-WRWGMCAJSA-N 1 0 378.395 -0.045 20 0 GBADRO O=C(NCc1nnc2n1CCOC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001686337567 1072045217 /nfs/dbraw/zinc/04/52/17/1072045217.db2.gz KMWDDZKLHPNHSO-AWEZNQCLSA-N 1 0 379.465 -0.986 20 0 GBADRO O=C(NCc1nnc2n1CCOC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001686337568 1072045514 /nfs/dbraw/zinc/04/55/14/1072045514.db2.gz KMWDDZKLHPNHSO-CQSZACIVSA-N 1 0 379.465 -0.986 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@H]3CC(C(N)=O)=NO3)cc2)CC1 ZINC001686439512 1072046312 /nfs/dbraw/zinc/04/63/12/1072046312.db2.gz LWLUMPBUUUTRMC-INIZCTEOSA-N 1 0 388.472 -0.090 20 0 GBADRO C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@H]3CC(C(N)=O)=NO3)cc2)CC1 ZINC001686439513 1072046842 /nfs/dbraw/zinc/04/68/42/1072046842.db2.gz LWLUMPBUUUTRMC-MRXNPFEDSA-N 1 0 388.472 -0.090 20 0 GBADRO CCOC(=O)COCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001686509371 1072046943 /nfs/dbraw/zinc/04/69/43/1072046943.db2.gz MAIVHNYPNZHASE-INIZCTEOSA-N 1 0 386.493 -0.338 20 0 GBADRO CCOC(=O)COCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001686509372 1072047002 /nfs/dbraw/zinc/04/70/02/1072047002.db2.gz MAIVHNYPNZHASE-MRXNPFEDSA-N 1 0 386.493 -0.338 20 0 GBADRO COc1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cc1S(N)(=O)=O ZINC001686668293 1072048283 /nfs/dbraw/zinc/04/82/83/1072048283.db2.gz YJUVFCGGGDTRSK-UHFFFAOYSA-N 1 0 386.474 -0.402 20 0 GBADRO C[C@@H]1CN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC[N@@H+]1CC(C)(C)O ZINC001686760260 1072049890 /nfs/dbraw/zinc/04/98/90/1072049890.db2.gz IDSMIFHYADVKNO-CYBMUJFWSA-N 1 0 381.481 -0.356 20 0 GBADRO C[C@H]1CN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC[N@@H+]1CC(C)(C)O ZINC001686760261 1072050246 /nfs/dbraw/zinc/05/02/46/1072050246.db2.gz IDSMIFHYADVKNO-ZDUSSCGKSA-N 1 0 381.481 -0.356 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nn1 ZINC001686760357 1072049769 /nfs/dbraw/zinc/04/97/69/1072049769.db2.gz MLALKGHEUPEFKG-AWEZNQCLSA-N 1 0 379.465 -0.602 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nn1 ZINC001686760358 1072050065 /nfs/dbraw/zinc/05/00/65/1072050065.db2.gz MLALKGHEUPEFKG-CQSZACIVSA-N 1 0 379.465 -0.602 20 0 GBADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001686760514 1072050176 /nfs/dbraw/zinc/05/01/76/1072050176.db2.gz SUABLXGABITSJM-UHFFFAOYSA-N 1 0 394.524 -0.175 20 0 GBADRO CN1CC[NH+](C2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)CC1 ZINC001686761422 1072050257 /nfs/dbraw/zinc/05/02/57/1072050257.db2.gz KQPQALRKTKPIAA-UHFFFAOYSA-N 1 0 392.508 -0.421 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)nn1 ZINC001686761479 1072050302 /nfs/dbraw/zinc/05/03/02/1072050302.db2.gz NRSMSPLNHAZBLP-AWEZNQCLSA-N 1 0 379.465 -0.290 20 0 GBADRO NC(=O)c1cn(CCCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)nn1 ZINC001686761480 1072049963 /nfs/dbraw/zinc/04/99/63/1072049963.db2.gz NRSMSPLNHAZBLP-CQSZACIVSA-N 1 0 379.465 -0.290 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@H](O)COCC2CC2)(N2CCOCC2)CC1 ZINC001686783921 1072050235 /nfs/dbraw/zinc/05/02/35/1072050235.db2.gz CHAOEFQPLSHWLW-KRWDZBQOSA-N 1 0 384.521 -0.130 20 0 GBADRO C[NH+]1CCC(CNC(=O)NC[C@@H](O)COCC2CC2)(N2CCOCC2)CC1 ZINC001686783922 1072049801 /nfs/dbraw/zinc/04/98/01/1072049801.db2.gz CHAOEFQPLSHWLW-QGZVFWFLSA-N 1 0 384.521 -0.130 20 0 GBADRO CN(C)c1n[nH]c(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC001686784002 1072050019 /nfs/dbraw/zinc/05/00/19/1072050019.db2.gz DUMNFTSCOYXNPB-UHFFFAOYSA-N 1 0 380.497 -0.534 20 0 GBADRO Cn1cc([C@H](CO)NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001686784179 1072049827 /nfs/dbraw/zinc/04/98/27/1072049827.db2.gz IHHCSFFGPHDYLG-INIZCTEOSA-N 1 0 380.493 -0.451 20 0 GBADRO Cn1cc([C@@H](CO)NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001686784180 1072050293 /nfs/dbraw/zinc/05/02/93/1072050293.db2.gz IHHCSFFGPHDYLG-MRXNPFEDSA-N 1 0 380.493 -0.451 20 0 GBADRO C[NH+]1CCC(CNC(=O)NCCN2CCNC2=S)(N2CCOCC2)CC1 ZINC001686784213 1072049949 /nfs/dbraw/zinc/04/99/49/1072049949.db2.gz ITNVXBUZOYTDFY-UHFFFAOYSA-N 1 0 384.550 -0.728 20 0 GBADRO Cn1cc([C@@H](O)CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001686784865 1072049785 /nfs/dbraw/zinc/04/97/85/1072049785.db2.gz XDDUGCQXZHZTMP-INIZCTEOSA-N 1 0 380.493 -0.451 20 0 GBADRO Cn1cc([C@H](O)CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC001686784866 1072050153 /nfs/dbraw/zinc/05/01/53/1072050153.db2.gz XDDUGCQXZHZTMP-MRXNPFEDSA-N 1 0 380.493 -0.451 20 0 GBADRO CN(CC1(O)CCOCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001686784867 1072049851 /nfs/dbraw/zinc/04/98/51/1072049851.db2.gz XEYAVJRYGDWUNW-UHFFFAOYSA-N 1 0 384.521 -0.034 20 0 GBADRO CC(C)C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)N1CCOCC1 ZINC001686876126 1072051233 /nfs/dbraw/zinc/05/12/33/1072051233.db2.gz ZHIAPKPZRODYQQ-HOTGVXAUSA-N 1 0 397.520 -0.101 20 0 GBADRO O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001686896395 1072051276 /nfs/dbraw/zinc/05/12/76/1072051276.db2.gz BPJRRDYNUNSUQM-GDZNZVCISA-N 1 0 380.449 -0.319 20 0 GBADRO O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001686896396 1072051586 /nfs/dbraw/zinc/05/15/86/1072051586.db2.gz BPJRRDYNUNSUQM-OGHNNQOOSA-N 1 0 380.449 -0.319 20 0 GBADRO O=C(NCc1ncc2c(n1)CCOC2)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001686966059 1072052313 /nfs/dbraw/zinc/05/23/13/1072052313.db2.gz BRJXAEBDMFTXIX-KBXCAEBGSA-N 1 0 377.445 -0.426 20 0 GBADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001687016969 1072052207 /nfs/dbraw/zinc/05/22/07/1072052207.db2.gz BJHCJAMILBKPPT-KRWDZBQOSA-N 1 0 389.518 -0.274 20 0 GBADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001687016970 1072052577 /nfs/dbraw/zinc/05/25/77/1072052577.db2.gz BJHCJAMILBKPPT-QGZVFWFLSA-N 1 0 389.518 -0.274 20 0 GBADRO O=C(NCc1nnc2n1CCNC2=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001687017896 1072052405 /nfs/dbraw/zinc/05/24/05/1072052405.db2.gz VQZQCGFJJFPGLR-UHFFFAOYSA-N 1 0 391.476 -0.288 20 0 GBADRO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCN1S(C)(=O)=O ZINC001687045244 1072053508 /nfs/dbraw/zinc/05/35/08/1072053508.db2.gz KBYUQMSBCAKMIX-OLZOCXBDSA-N 1 0 375.495 -0.999 20 0 GBADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001687045328 1072053120 /nfs/dbraw/zinc/05/31/20/1072053120.db2.gz MHEURAYUMCQPGP-MCIONIFRSA-N 1 0 389.522 -0.514 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001687045354 1072053479 /nfs/dbraw/zinc/05/34/79/1072053479.db2.gz NDDBTPSMNVLNAY-INIZCTEOSA-N 1 0 395.504 -0.393 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001687045388 1072053418 /nfs/dbraw/zinc/05/34/18/1072053418.db2.gz NRNXVTMQHKCMLD-CABCVRRESA-N 1 0 380.493 -0.085 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001687045389 1072053324 /nfs/dbraw/zinc/05/33/24/1072053324.db2.gz NRNXVTMQHKCMLD-GJZGRUSLSA-N 1 0 380.493 -0.085 20 0 GBADRO CCOC(=O)[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCOC1 ZINC001687045768 1072053262 /nfs/dbraw/zinc/05/32/62/1072053262.db2.gz WQCJMYHBPGOREN-KBXCAEBGSA-N 1 0 384.477 -0.015 20 0 GBADRO CCOC(=O)[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCOC1 ZINC001687045769 1072053385 /nfs/dbraw/zinc/05/33/85/1072053385.db2.gz WQCJMYHBPGOREN-KSSFIOAISA-N 1 0 384.477 -0.015 20 0 GBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC001687045888 1072053531 /nfs/dbraw/zinc/05/35/31/1072053531.db2.gz ZGBOBZVACSMFPN-ZDUSSCGKSA-N 1 0 375.495 -0.949 20 0 GBADRO NC(=O)c1cn(C2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)nn1 ZINC001687117070 1072176150 /nfs/dbraw/zinc/17/61/50/1072176150.db2.gz DCESAMUOJHKBTF-HNNXBMFYSA-N 1 0 391.476 -0.023 20 0 GBADRO NC(=O)c1cn(C2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)nn1 ZINC001687117071 1072176472 /nfs/dbraw/zinc/17/64/72/1072176472.db2.gz DCESAMUOJHKBTF-OAHLLOKOSA-N 1 0 391.476 -0.023 20 0 GBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001687236016 1072525297 /nfs/dbraw/zinc/52/52/97/1072525297.db2.gz XSWCLFHYHFRTHF-KBPBESRZSA-N 1 0 399.492 -0.656 20 0 GBADRO COC(=O)CCNC(=O)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001687281650 1072579029 /nfs/dbraw/zinc/57/90/29/1072579029.db2.gz NSOIESBUANWRBF-UHFFFAOYSA-N 1 0 385.509 -0.277 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC001687346795 1072615847 /nfs/dbraw/zinc/61/58/47/1072615847.db2.gz PDCRUKDMYIMSDL-KRWDZBQOSA-N 1 0 384.477 -0.851 20 0 GBADRO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC001687346796 1072616008 /nfs/dbraw/zinc/61/60/08/1072616008.db2.gz PDCRUKDMYIMSDL-QGZVFWFLSA-N 1 0 384.477 -0.851 20 0 GBADRO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001687375751 1073046142 /nfs/dbraw/zinc/04/61/42/1073046142.db2.gz RCKYOHAUJWXUSU-JKSUJKDBSA-N 1 0 387.440 -0.301 20 0 GBADRO Cn1ccn2c(CCNC(=O)N3CCC([N@H+](C)CCCO)CC3)nnc2c1=O ZINC001687630039 1072236355 /nfs/dbraw/zinc/23/63/55/1072236355.db2.gz MOLLCBWUAYUAHE-UHFFFAOYSA-N 1 0 391.476 -0.541 20 0 GBADRO O=C(CNC(=O)NCc1nnc2c(=O)[nH]ccn12)NCC[NH+]1CCCCCC1 ZINC001687639813 1072054552 /nfs/dbraw/zinc/05/45/52/1072054552.db2.gz KWQWLLMZLZEKIV-UHFFFAOYSA-N 1 0 390.448 -0.791 20 0 GBADRO O=C(NCc1nnc2c(=O)[nH]ccn12)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001687640131 1072054587 /nfs/dbraw/zinc/05/45/87/1072054587.db2.gz VDTGGQYDMXSDLJ-CYBMUJFWSA-N 1 0 375.433 -0.140 20 0 GBADRO O=C(NCc1nnc2c(=O)[nH]ccn12)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001687640144 1072054768 /nfs/dbraw/zinc/05/47/68/1072054768.db2.gz VDTGGQYDMXSDLJ-ZDUSSCGKSA-N 1 0 375.433 -0.140 20 0 GBADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CCOCC1 ZINC001687643159 1072054888 /nfs/dbraw/zinc/05/48/88/1072054888.db2.gz PSSLAGDLGMDOEM-UHFFFAOYSA-N 1 0 384.524 -0.546 20 0 GBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001687649553 1072054715 /nfs/dbraw/zinc/05/47/15/1072054715.db2.gz RCSORLXJRKYBBD-CYBMUJFWSA-N 1 0 381.355 -0.377 20 0 GBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001687649554 1072054877 /nfs/dbraw/zinc/05/48/77/1072054877.db2.gz RCSORLXJRKYBBD-ZDUSSCGKSA-N 1 0 381.355 -0.377 20 0 GBADRO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC001687715810 1072056759 /nfs/dbraw/zinc/05/67/59/1072056759.db2.gz DBEOZNQMTXGNRB-UHFFFAOYSA-N 1 0 386.478 -0.645 20 0 GBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001687716266 1072057024 /nfs/dbraw/zinc/05/70/24/1072057024.db2.gz LCIWPXJVTWANLS-LLVKDONJSA-N 1 0 388.494 -0.664 20 0 GBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001687716267 1072056195 /nfs/dbraw/zinc/05/61/95/1072056195.db2.gz LCIWPXJVTWANLS-NSHDSACASA-N 1 0 388.494 -0.664 20 0 GBADRO CC1(C)NC(=O)N(CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1=O ZINC001687851274 1072059078 /nfs/dbraw/zinc/05/90/78/1072059078.db2.gz XMJXCBRGEYNECP-SCLBCKFNSA-N 1 0 397.476 -0.768 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)NCCCN2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC001687869225 1072059219 /nfs/dbraw/zinc/05/92/19/1072059219.db2.gz ASOZGUYXNWZRFZ-VVLHAWIVSA-N 1 0 393.532 -0.511 20 0 GBADRO CCn1cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(=O)[nH]c1=O ZINC001687882740 1072059933 /nfs/dbraw/zinc/05/99/33/1072059933.db2.gz PDASWRFLGQACEI-AWEZNQCLSA-N 1 0 396.492 -0.140 20 0 GBADRO CC[C@@H]1[C@@H](C(=O)N(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C2CC2)CC[N@@H+]1C ZINC001688502377 1072063583 /nfs/dbraw/zinc/06/35/83/1072063583.db2.gz BLMKRLJUJBPHTP-XUWVNRHRSA-N 1 0 380.489 -0.143 20 0 GBADRO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCCC2)CC[N@@H+]1C ZINC001688792871 1072064715 /nfs/dbraw/zinc/06/47/15/1072064715.db2.gz DUBZMSHNTSONTQ-APIJFGDWSA-N 1 0 380.489 -0.095 20 0 GBADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001688911351 1072065570 /nfs/dbraw/zinc/06/55/70/1072065570.db2.gz JBMFYCSWLUCGHO-GEONZQJFSA-N 1 0 379.457 -0.452 20 0 GBADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001688911352 1072065617 /nfs/dbraw/zinc/06/56/17/1072065617.db2.gz JBMFYCSWLUCGHO-PRFSMCDRSA-N 1 0 379.457 -0.452 20 0 GBADRO C[C@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001688939664 1072065452 /nfs/dbraw/zinc/06/54/52/1072065452.db2.gz YFACMRFVGHOGSF-HZCKCOPHSA-N 1 0 392.500 -0.513 20 0 GBADRO C[C@@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001688939665 1072065501 /nfs/dbraw/zinc/06/55/01/1072065501.db2.gz YFACMRFVGHOGSF-NHVWZDDISA-N 1 0 392.500 -0.513 20 0 GBADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001688940772 1072065763 /nfs/dbraw/zinc/06/57/63/1072065763.db2.gz SBWYVUDHJFBDDA-UGDFAFBOSA-N 1 0 378.473 -0.220 20 0 GBADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001688940773 1072065654 /nfs/dbraw/zinc/06/56/54/1072065654.db2.gz SBWYVUDHJFBDDA-ZCVDQKGDSA-N 1 0 378.473 -0.220 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CCC3)C2)O1 ZINC001689003027 1072065476 /nfs/dbraw/zinc/06/54/76/1072065476.db2.gz LCTTUBWVDWIWGA-XUWVNRHRSA-N 1 0 380.489 -0.190 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CCS(C)(=O)=O)cn1 ZINC001689031958 1072066761 /nfs/dbraw/zinc/06/67/61/1072066761.db2.gz HGQNJDPWYRHCHK-MPTYRVRUSA-N 1 0 382.486 -0.615 20 0 GBADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cnn(C)c1 ZINC001689032291 1072066392 /nfs/dbraw/zinc/06/63/92/1072066392.db2.gz VFEGLJZABSPGIE-KISBBLTOSA-N 1 0 375.473 -0.135 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]2[NH2+]CCOCCO)cn1 ZINC001689032365 1072066219 /nfs/dbraw/zinc/06/62/19/1072066219.db2.gz YCDUTPWPKLZTIH-XLMAVXFVSA-N 1 0 388.472 -0.160 20 0 GBADRO CN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1)C1CC1 ZINC001689033937 1072066850 /nfs/dbraw/zinc/06/68/50/1072066850.db2.gz DXTZXCJRYNIEHM-FXUDXRNXSA-N 1 0 388.472 -0.954 20 0 GBADRO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cnn(C)c1 ZINC001689033962 1072066589 /nfs/dbraw/zinc/06/65/89/1072066589.db2.gz FXSCSXZTTLVXKY-VVLHAWIVSA-N 1 0 393.488 -0.238 20 0 GBADRO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cnn(C)c1 ZINC001689034024 1072066748 /nfs/dbraw/zinc/06/67/48/1072066748.db2.gz IDRKLKQCGAGPLV-BFJAYTPKSA-N 1 0 390.488 -0.706 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1cnn(C)c1 ZINC001689035612 1072066781 /nfs/dbraw/zinc/06/67/81/1072066781.db2.gz DWSZIAAYLKEZEA-XUWVNRHRSA-N 1 0 388.472 -0.194 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001689066955 1072066542 /nfs/dbraw/zinc/06/65/42/1072066542.db2.gz JKPGYHWGQGMHTO-KCYZZUKISA-N 1 0 390.488 -0.009 20 0 GBADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1OCC ZINC001689072484 1072066459 /nfs/dbraw/zinc/06/64/59/1072066459.db2.gz FFRPRXGYMVOWBL-DGXTUMSLSA-N 1 0 396.488 -0.147 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CCn1nc(C)nc1C ZINC001689072822 1072066264 /nfs/dbraw/zinc/06/62/64/1072066264.db2.gz RWTAMMMNSDCFPD-LVQVYYBASA-N 1 0 378.477 -0.531 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001689072934 1072066870 /nfs/dbraw/zinc/06/68/70/1072066870.db2.gz WKAUACJNWYARFR-ARILJUKYSA-N 1 0 382.461 -0.537 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689073011 1072066567 /nfs/dbraw/zinc/06/65/67/1072066567.db2.gz YWCMDNOQSLIOBG-QKPAOTATSA-N 1 0 382.505 -0.134 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001689095507 1072066666 /nfs/dbraw/zinc/06/66/66/1072066666.db2.gz GLTANEYOKREEGV-XSEXMBABSA-N 1 0 382.461 -0.551 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001689100163 1072066187 /nfs/dbraw/zinc/06/61/87/1072066187.db2.gz QJCHRLJWPLDBGY-ZOBORPQBSA-N 1 0 375.491 -0.719 20 0 GBADRO CCOCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001689139518 1072066539 /nfs/dbraw/zinc/06/65/39/1072066539.db2.gz RTTQLOAGYAIRMR-RVSPLBMKSA-N 1 0 380.445 -0.024 20 0 GBADRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(=O)N(CC)C1CC1 ZINC001689186305 1072068417 /nfs/dbraw/zinc/06/84/17/1072068417.db2.gz FTPYINWGWVOPRK-XUWVNRHRSA-N 1 0 380.489 -0.001 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H]([N@H+](CCO)CCn2cncn2)C1 ZINC001689205870 1072068185 /nfs/dbraw/zinc/06/81/85/1072068185.db2.gz JZAPPGQBXBFLKL-RFSXOUPVSA-N 1 0 375.473 -0.013 20 0 GBADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]([N@H+](CCO)CCn2cncn2)C1 ZINC001689205872 1072068272 /nfs/dbraw/zinc/06/82/72/1072068272.db2.gz JZAPPGQBXBFLKL-ZXXIGWHRSA-N 1 0 375.473 -0.013 20 0 GBADRO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001689231205 1072068032 /nfs/dbraw/zinc/06/80/32/1072068032.db2.gz AIHJWGJOKHAPGL-LTIDMASMSA-N 1 0 392.500 -0.332 20 0 GBADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC001689294156 1072068372 /nfs/dbraw/zinc/06/83/72/1072068372.db2.gz UXANVUMKXXYRLO-VQHPVUNQSA-N 1 0 393.532 -0.356 20 0 GBADRO COc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2[NH2+]CCCO)cc1 ZINC001689385770 1072069097 /nfs/dbraw/zinc/06/90/97/1072069097.db2.gz JAXVDBFYRFRLAR-XWTMOSNGSA-N 1 0 391.468 -0.006 20 0 GBADRO Cn1c(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)n(C)c1=O ZINC001689816993 1072070548 /nfs/dbraw/zinc/07/05/48/1072070548.db2.gz XPOXFAQNRVOXKH-NMNMXBMNSA-N 1 0 376.457 -0.555 20 0 GBADRO Cn1[nH]c(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)nc1=O ZINC001690065624 1072073192 /nfs/dbraw/zinc/07/31/92/1072073192.db2.gz FYWBIQLJAGCKMC-KFWWJZLASA-N 1 0 378.477 -0.700 20 0 GBADRO NC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001690123531 1072074086 /nfs/dbraw/zinc/07/40/86/1072074086.db2.gz RILGXERGBLJECR-PWNZVWSESA-N 1 0 380.445 -0.797 20 0 GBADRO NC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001690123532 1072073908 /nfs/dbraw/zinc/07/39/08/1072073908.db2.gz RILGXERGBLJECR-RMRHIDDWSA-N 1 0 380.445 -0.797 20 0 GBADRO O=C(NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690162497 1072073793 /nfs/dbraw/zinc/07/37/93/1072073793.db2.gz JDOBTVYHUZZHLV-RZLSGREXSA-N 1 0 380.445 -0.926 20 0 GBADRO O=C(NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690162498 1072074047 /nfs/dbraw/zinc/07/40/47/1072074047.db2.gz JDOBTVYHUZZHLV-TTZDDIAXSA-N 1 0 380.445 -0.926 20 0 GBADRO O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)Nc1cnccn1 ZINC001690237544 1072073849 /nfs/dbraw/zinc/07/38/49/1072073849.db2.gz FCCQOMVSYCXNKQ-AYMQEEERSA-N 1 0 375.429 -0.343 20 0 GBADRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCC(=O)N1CCCC1 ZINC001690283550 1072073688 /nfs/dbraw/zinc/07/36/88/1072073688.db2.gz PWRIMNKCIVSERS-HMDWEJDISA-N 1 0 390.484 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382.461 -0.678 20 0 GBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001690603700 1072075059 /nfs/dbraw/zinc/07/50/59/1072075059.db2.gz GORXEDXAUULHJG-JHMDWKRSSA-N 1 0 392.500 -0.511 20 0 GBADRO CNC(=O)C1CCN(C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001690603701 1072074715 /nfs/dbraw/zinc/07/47/15/1072074715.db2.gz GORXEDXAUULHJG-OWGXSOMWSA-N 1 0 392.500 -0.511 20 0 GBADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]CC(=O)NCc1cccnc1 ZINC001690606199 1072075134 /nfs/dbraw/zinc/07/51/34/1072075134.db2.gz INQYYWVPDHYKTK-GRZALLJUSA-N 1 0 376.457 -0.156 20 0 GBADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]CC(=O)NCc1cccnc1 ZINC001690606200 1072074821 /nfs/dbraw/zinc/07/48/21/1072074821.db2.gz INQYYWVPDHYKTK-OWIUFQIYSA-N 1 0 376.457 -0.156 20 0 GBADRO CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690657115 1072075077 /nfs/dbraw/zinc/07/50/77/1072075077.db2.gz HHYYQLVHJYDRMR-CNRFMZSYSA-N 1 0 392.500 -0.510 20 0 GBADRO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690657116 1072075208 /nfs/dbraw/zinc/07/52/08/1072075208.db2.gz HHYYQLVHJYDRMR-NTCWUJLTSA-N 1 0 392.500 -0.510 20 0 GBADRO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001690657901 1072075092 /nfs/dbraw/zinc/07/50/92/1072075092.db2.gz XPGMTBORFLSCJV-FPCVCCKLSA-N 1 0 380.489 -0.366 20 0 GBADRO CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001690657902 1072075194 /nfs/dbraw/zinc/07/51/94/1072075194.db2.gz XPGMTBORFLSCJV-JJXSEGSLSA-N 1 0 380.489 -0.366 20 0 GBADRO O=C(C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N1CCNC(=O)C1 ZINC001690726297 1072076546 /nfs/dbraw/zinc/07/65/46/1072076546.db2.gz MUBNWMDGNLJOIT-LDDOYCOJSA-N 1 0 378.473 -0.802 20 0 GBADRO O=C(C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N1CCNC(=O)C1 ZINC001690726298 1072076714 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KAGJDAPLDVLZNE-YQBONMRBSA-N 1 0 394.516 -0.075 20 0 GBADRO C[C@H](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001690864996 1072077462 /nfs/dbraw/zinc/07/74/62/1072077462.db2.gz AWLVXKHCAPRHIQ-MIGQKNRLSA-N 1 0 380.489 -0.238 20 0 GBADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001690957648 1072155317 /nfs/dbraw/zinc/15/53/17/1072155317.db2.gz JFMNJVHQYIUBLR-BBRMVZONSA-N 1 0 390.492 -0.030 20 0 GBADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001690957650 1072155919 /nfs/dbraw/zinc/15/59/19/1072155919.db2.gz JFMNJVHQYIUBLR-CJNGLKHVSA-N 1 0 390.492 -0.030 20 0 GBADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001690957651 1072155905 /nfs/dbraw/zinc/15/59/05/1072155905.db2.gz JFMNJVHQYIUBLR-CZUORRHYSA-N 1 0 390.492 -0.030 20 0 GBADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001690957652 1072155997 /nfs/dbraw/zinc/15/59/97/1072155997.db2.gz JFMNJVHQYIUBLR-XJKSGUPXSA-N 1 0 390.492 -0.030 20 0 GBADRO CC(=O)NC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960223 1072241168 /nfs/dbraw/zinc/24/11/68/1072241168.db2.gz NWNAABJELWBKOZ-CRAIPNDOSA-N 1 0 378.477 -0.437 20 0 GBADRO CC(=O)NC[C@H]1CN(c2nnc(C3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960224 1072240876 /nfs/dbraw/zinc/24/08/76/1072240876.db2.gz NWNAABJELWBKOZ-MAUKXSAKSA-N 1 0 378.477 -0.437 20 0 GBADRO CC(=O)NC[C@@H]1CN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960225 1072240969 /nfs/dbraw/zinc/24/09/69/1072240969.db2.gz NWNAABJELWBKOZ-QAPCUYQASA-N 1 0 378.477 -0.437 20 0 GBADRO CC(=O)NC[C@H]1CN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001690960226 1072241201 /nfs/dbraw/zinc/24/12/01/1072241201.db2.gz NWNAABJELWBKOZ-YJBOKZPZSA-N 1 0 378.477 -0.437 20 0 GBADRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001691020939 1072266876 /nfs/dbraw/zinc/26/68/76/1072266876.db2.gz ONSPLXKJHLINTF-GBJTYRQASA-N 1 0 376.461 -0.004 20 0 GBADRO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691151533 1072207230 /nfs/dbraw/zinc/20/72/30/1072207230.db2.gz NQGYFZGDUAMKSR-ORIJERBGSA-N 1 0 382.461 -0.678 20 0 GBADRO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691151534 1072207176 /nfs/dbraw/zinc/20/71/76/1072207176.db2.gz NQGYFZGDUAMKSR-RZLSGREXSA-N 1 0 382.461 -0.678 20 0 GBADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691156009 1072208426 /nfs/dbraw/zinc/20/84/26/1072208426.db2.gz HJSLXOJCQAVVMP-MPVPIHFYSA-N 1 0 391.468 -0.596 20 0 GBADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691156010 1072208153 /nfs/dbraw/zinc/20/81/53/1072208153.db2.gz HJSLXOJCQAVVMP-XNBKXCLUSA-N 1 0 391.468 -0.596 20 0 GBADRO CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691156062 1072208180 /nfs/dbraw/zinc/20/81/80/1072208180.db2.gz 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/nfs/dbraw/zinc/25/84/31/1072258431.db2.gz OACZESXFBJWCOU-GNIPQWQFSA-N 1 0 382.461 -0.682 20 0 GBADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691400256 1072258285 /nfs/dbraw/zinc/25/82/85/1072258285.db2.gz OACZESXFBJWCOU-ULSDXFBPSA-N 1 0 382.461 -0.682 20 0 GBADRO CN(CC[NH2+]CC(=O)NCC(=O)N1CCCC1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001691400641 1072258381 /nfs/dbraw/zinc/25/83/81/1072258381.db2.gz VLJRXUNYUIIXHB-RLFYNMQTSA-N 1 0 380.489 -0.412 20 0 GBADRO Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n(C)n1 ZINC001691405474 1072259054 /nfs/dbraw/zinc/25/90/54/1072259054.db2.gz BCZLXANZEZLOKI-GRDNDAEWSA-N 1 0 379.461 -0.233 20 0 GBADRO CN(C)S(=O)(=O)CCC[NH2+]CCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691405780 1072258984 /nfs/dbraw/zinc/25/89/84/1072258984.db2.gz GWBPWLUNKKJNHA-SOUVJXGZSA-N 1 0 377.507 -0.633 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001691407716 1072258783 /nfs/dbraw/zinc/25/87/83/1072258783.db2.gz WJJHJDLCQDKFTC-YIYPIFLZSA-N 1 0 381.477 -0.440 20 0 GBADRO COC[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001691422064 1072260844 /nfs/dbraw/zinc/26/08/44/1072260844.db2.gz UMGKPLPAYBQBFS-CXUUEIJPSA-N 1 0 380.445 -0.026 20 0 GBADRO COC[C@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001691422065 1072260876 /nfs/dbraw/zinc/26/08/76/1072260876.db2.gz UMGKPLPAYBQBFS-MYLCLEHYSA-N 1 0 380.445 -0.026 20 0 GBADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691452856 1072551462 /nfs/dbraw/zinc/55/14/62/1072551462.db2.gz HJSLXOJCQAVVMP-IIRGONKGSA-N 1 0 391.468 -0.596 20 0 GBADRO O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691452857 1072551791 /nfs/dbraw/zinc/55/17/91/1072551791.db2.gz HJSLXOJCQAVVMP-YOIFPBPPSA-N 1 0 391.468 -0.596 20 0 GBADRO C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001691453327 1072551823 /nfs/dbraw/zinc/55/18/23/1072551823.db2.gz YFACMRFVGHOGSF-LCZMYARRSA-N 1 0 392.500 -0.513 20 0 GBADRO C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)N(C)C ZINC001691453328 1072551947 /nfs/dbraw/zinc/55/19/47/1072551947.db2.gz YFACMRFVGHOGSF-RQUIDSGVSA-N 1 0 392.500 -0.513 20 0 GBADRO C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)C(=O)N(C)C ZINC001691463011 1072560566 /nfs/dbraw/zinc/56/05/66/1072560566.db2.gz DHGNMEQBWSEDOL-AQGHMYMLSA-N 1 0 380.489 -0.369 20 0 GBADRO C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)C(=O)N(C)C ZINC001691463012 1072560279 /nfs/dbraw/zinc/56/02/79/1072560279.db2.gz DHGNMEQBWSEDOL-IJOLSIAMSA-N 1 0 380.489 -0.369 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001691749581 1071813791 /nfs/dbraw/zinc/81/37/91/1071813791.db2.gz BQPIDPHRWQCHME-NPSOMJIGSA-N 1 0 380.445 -0.972 20 0 GBADRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1OCC ZINC001691749923 1071817794 /nfs/dbraw/zinc/81/77/94/1071817794.db2.gz LFPLTWWSYXJSML-NPSOMJIGSA-N 1 0 382.461 -0.678 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001691759321 1071893000 /nfs/dbraw/zinc/89/30/00/1071893000.db2.gz JTMBDTZWJWXHQR-BHZVOMLSSA-N 1 0 386.514 -0.093 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C[NH2+]CCO ZINC001691759429 1071892831 /nfs/dbraw/zinc/89/28/31/1071892831.db2.gz NFWFYACEEADYML-ZJPYXAASSA-N 1 0 385.505 -0.688 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]CC(=O)Nc1cc(C)no1 ZINC001691766221 1073205947 /nfs/dbraw/zinc/20/59/47/1073205947.db2.gz QRRIKQKYGQTHQC-YIYPIFLZSA-N 1 0 393.444 -0.504 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001691766246 1073217461 /nfs/dbraw/zinc/21/74/61/1073217461.db2.gz RUVWXRVGOCBODL-LXTVHRRPSA-N 1 0 389.518 -0.614 20 0 GBADRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691799460 1072078146 /nfs/dbraw/zinc/07/81/46/1072078146.db2.gz DSXJINRIGYOCAQ-JSLGZRHDSA-N 1 0 382.461 -0.634 20 0 GBADRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691799461 1072078102 /nfs/dbraw/zinc/07/81/02/1072078102.db2.gz DSXJINRIGYOCAQ-WCBJTDJXSA-N 1 0 382.461 -0.634 20 0 GBADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691800732 1072077869 /nfs/dbraw/zinc/07/78/69/1072077869.db2.gz XSZBTGFRQZLSKD-ZDTHTLKFSA-N 1 0 377.485 -0.123 20 0 GBADRO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001691857621 1072078150 /nfs/dbraw/zinc/07/81/50/1072078150.db2.gz WCRDEHUKULGNHI-KNCOVGOOSA-N 1 0 382.461 -0.454 20 0 GBADRO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001691857624 1072078221 /nfs/dbraw/zinc/07/82/21/1072078221.db2.gz WCRDEHUKULGNHI-RZLSGREXSA-N 1 0 382.461 -0.454 20 0 GBADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccc(OC)cc1 ZINC001691887624 1072078684 /nfs/dbraw/zinc/07/86/84/1072078684.db2.gz XOVVUGBVWJECNS-LTIDMASMSA-N 1 0 388.468 -0.163 20 0 GBADRO C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]1CCC[NH2+]Cc1nnnn1C ZINC001691895330 1072078668 /nfs/dbraw/zinc/07/86/68/1072078668.db2.gz FBLFQTHENKBGLC-APIJFGDWSA-N 1 0 393.492 -0.260 20 0 GBADRO CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691901229 1072079263 /nfs/dbraw/zinc/07/92/63/1072079263.db2.gz VKIUSLIUUAKKMA-KSXIZUIISA-N 1 0 396.488 -0.242 20 0 GBADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691902668 1072078527 /nfs/dbraw/zinc/07/85/27/1072078527.db2.gz YQFHTXRAJKHBSR-ORIJERBGSA-N 1 0 382.461 -0.678 20 0 GBADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691902669 1072079165 /nfs/dbraw/zinc/07/91/65/1072079165.db2.gz YQFHTXRAJKHBSR-RZLSGREXSA-N 1 0 382.461 -0.678 20 0 GBADRO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001691970986 1072078733 /nfs/dbraw/zinc/07/87/33/1072078733.db2.gz BBLGAGHGGMXLHM-PNBKFKSVSA-N 1 0 385.472 -0.033 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]CC(=O)NCC2CC2)cn1 ZINC001691971163 1072078608 /nfs/dbraw/zinc/07/86/08/1072078608.db2.gz IWCHTKMOKNRLKP-LJCCNALRSA-N 1 0 387.484 -0.133 20 0 GBADRO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1c1cnn(C)c1 ZINC001691971482 1072078717 /nfs/dbraw/zinc/07/87/17/1072078717.db2.gz UYHKPOKIRYDENN-GGXPGOJBSA-N 1 0 375.473 -0.133 20 0 GBADRO C[N@H+](CCN1C(=O)CNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001691971675 1072079398 /nfs/dbraw/zinc/07/93/98/1072079398.db2.gz AZPUPQYEEGBQMU-HLUFSKSISA-N 1 0 376.457 -0.258 20 0 GBADRO C[N@H+](CCN1C(=O)CNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001691971676 1072078987 /nfs/dbraw/zinc/07/89/87/1072078987.db2.gz AZPUPQYEEGBQMU-UZVBGSJOSA-N 1 0 376.457 -0.258 20 0 GBADRO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691971745 1072079312 /nfs/dbraw/zinc/07/93/12/1072079312.db2.gz CDWCZIRXHRLUHH-ORIJERBGSA-N 1 0 382.461 -0.726 20 0 GBADRO CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001691971746 1072079118 /nfs/dbraw/zinc/07/91/18/1072079118.db2.gz CDWCZIRXHRLUHH-RZLSGREXSA-N 1 0 382.461 -0.726 20 0 GBADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2[NH2+]CCCO)cn1 ZINC001691974633 1072079183 /nfs/dbraw/zinc/07/91/83/1072079183.db2.gz GRFKTMXCHNCVLJ-NNPSNHGLSA-N 1 0 378.473 -0.262 20 0 GBADRO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001691978338 1072079244 /nfs/dbraw/zinc/07/92/44/1072079244.db2.gz BLWSSBQWLIXBIB-FXUDXRNXSA-N 1 0 390.488 -0.658 20 0 GBADRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cnn(C)c1 ZINC001691978803 1072079141 /nfs/dbraw/zinc/07/91/41/1072079141.db2.gz VLBKLZQWRVTOGI-LVQVYYBASA-N 1 0 385.472 -0.413 20 0 GBADRO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001691979784 1072078581 /nfs/dbraw/zinc/07/85/81/1072078581.db2.gz SKURAAIFURTESH-FPCVCCKLSA-N 1 0 378.473 -0.707 20 0 GBADRO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001691979785 1072078556 /nfs/dbraw/zinc/07/85/56/1072078556.db2.gz SKURAAIFURTESH-JJXSEGSLSA-N 1 0 378.473 -0.707 20 0 GBADRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1OCC ZINC001692037640 1072078518 /nfs/dbraw/zinc/07/85/18/1072078518.db2.gz CLPPUXJLTVMNNW-QYXWGXCQSA-N 1 0 383.489 -0.373 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001692042042 1072079049 /nfs/dbraw/zinc/07/90/49/1072079049.db2.gz DRQUAYRFWLKPFM-QKPAOTATSA-N 1 0 379.461 -0.631 20 0 GBADRO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001692042154 1072079288 /nfs/dbraw/zinc/07/92/88/1072079288.db2.gz IRJBKPFSEGDWHB-QKPAOTATSA-N 1 0 382.505 -0.181 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001692072513 1072078699 /nfs/dbraw/zinc/07/86/99/1072078699.db2.gz ZEZGXNBYZBOEDP-QZNHQWIBSA-N 1 0 378.473 -0.802 20 0 GBADRO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC4CCC4)CC[C@@H]3C2)O1 ZINC001692076302 1072078820 /nfs/dbraw/zinc/07/88/20/1072078820.db2.gz IPPPDCPGQGOXFN-LTIDMASMSA-N 1 0 392.500 -0.284 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001692085752 1072080162 /nfs/dbraw/zinc/08/01/62/1072080162.db2.gz DVRRASHOTRGGDD-SYAUCNOPSA-N 1 0 380.489 -0.238 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001692085761 1072080015 /nfs/dbraw/zinc/08/00/15/1072080015.db2.gz FAVCQSIFUPKYSL-SYAUCNOPSA-N 1 0 380.489 -0.238 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001692086185 1072079818 /nfs/dbraw/zinc/07/98/18/1072079818.db2.gz PCZYSLSZEXUWJK-CBBWQLFWSA-N 1 0 381.477 -0.739 20 0 GBADRO CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001692086265 1072080173 /nfs/dbraw/zinc/08/01/73/1072080173.db2.gz QFSFPJBHQSEULT-MQYQWHSLSA-N 1 0 381.477 -0.440 20 0 GBADRO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001692086446 1072080230 /nfs/dbraw/zinc/08/02/30/1072080230.db2.gz YEOJXTMPHGKJBF-JJTUDDRGSA-N 1 0 392.500 -0.271 20 0 GBADRO CC(C)Cc1nnc(N(C)CCNS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001692093763 1072080258 /nfs/dbraw/zinc/08/02/58/1072080258.db2.gz NGRUPWGVABEVJP-INIZCTEOSA-N 1 0 388.538 -0.471 20 0 GBADRO CC(C)Cc1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001692093766 1072079792 /nfs/dbraw/zinc/07/97/92/1072079792.db2.gz NGRUPWGVABEVJP-MRXNPFEDSA-N 1 0 388.538 -0.471 20 0 GBADRO COCCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001692132582 1072079978 /nfs/dbraw/zinc/07/99/78/1072079978.db2.gz AKZCPROVUSDCFD-RVSPLBMKSA-N 1 0 380.445 -0.024 20 0 GBADRO O=C(NCc1nc(C[NH2+]CCn2cncn2)cc(=O)[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001692132661 1072079633 /nfs/dbraw/zinc/07/96/33/1072079633.db2.gz CUNMEMQKQZDXDQ-RBUCKAEESA-N 1 0 385.428 -0.397 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001692233491 1072079998 /nfs/dbraw/zinc/07/99/98/1072079998.db2.gz AKEFCDNQULCVFV-KBPBESRZSA-N 1 0 377.493 -0.426 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001692233492 1072079776 /nfs/dbraw/zinc/07/97/76/1072079776.db2.gz AKEFCDNQULCVFV-KGLIPLIRSA-N 1 0 377.493 -0.426 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001692233493 1072080465 /nfs/dbraw/zinc/08/04/65/1072080465.db2.gz AKEFCDNQULCVFV-UONOGXRCSA-N 1 0 377.493 -0.426 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001692233494 1072079928 /nfs/dbraw/zinc/07/99/28/1072079928.db2.gz AKEFCDNQULCVFV-ZIAGYGMSSA-N 1 0 377.493 -0.426 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+](C)C(C)C ZINC001692235390 1072080448 /nfs/dbraw/zinc/08/04/48/1072080448.db2.gz LOEDDAIZUAVDKY-HNNXBMFYSA-N 1 0 391.520 -0.036 20 0 GBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+](C)C(C)C ZINC001692235391 1072080203 /nfs/dbraw/zinc/08/02/03/1072080203.db2.gz LOEDDAIZUAVDKY-OAHLLOKOSA-N 1 0 391.520 -0.036 20 0 GBADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H]([N@H+](CCO)CCN2CCNC2=O)C1 ZINC001692241177 1072081408 /nfs/dbraw/zinc/08/14/08/1072081408.db2.gz GIKUNHXWARZKRR-HZMVEIRTSA-N 1 0 380.489 -0.136 20 0 GBADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H]([N@H+](CCO)CCN2CCNC2=O)C1 ZINC001692241182 1072081202 /nfs/dbraw/zinc/08/12/02/1072081202.db2.gz GIKUNHXWARZKRR-VQHPVUNQSA-N 1 0 380.489 -0.136 20 0 GBADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2C1 ZINC001692269882 1072080902 /nfs/dbraw/zinc/08/09/02/1072080902.db2.gz BLZGCWJURIUCBN-NFPPBLBISA-N 1 0 376.457 -0.354 20 0 GBADRO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1 ZINC001692281003 1072081164 /nfs/dbraw/zinc/08/11/64/1072081164.db2.gz OAJWFUBGQGXYSY-RQJABVFESA-N 1 0 379.461 -0.876 20 0 GBADRO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1 ZINC001692281053 1072081236 /nfs/dbraw/zinc/08/12/36/1072081236.db2.gz PGISLOQGIFOYNM-BARDWOONSA-N 1 0 386.518 -0.783 20 0 GBADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001692281192 1072081063 /nfs/dbraw/zinc/08/10/63/1072081063.db2.gz VGAANRDMLWDNMV-BARDWOONSA-N 1 0 386.518 -0.830 20 0 GBADRO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCc3cccnc3)CC[C@@H]2C1 ZINC001692281194 1072081439 /nfs/dbraw/zinc/08/14/39/1072081439.db2.gz VHQYMHJXRRCHTG-TWMKSMIVSA-N 1 0 385.468 -0.401 20 0 GBADRO NC(=O)NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692326229 1072081031 /nfs/dbraw/zinc/08/10/31/1072081031.db2.gz QWJBODUEVGJVOS-KNCOVGOOSA-N 1 0 382.461 -0.406 20 0 GBADRO NC(=O)NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692326230 1072080760 /nfs/dbraw/zinc/08/07/60/1072080760.db2.gz QWJBODUEVGJVOS-RZLSGREXSA-N 1 0 382.461 -0.406 20 0 GBADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 ZINC001692470989 1072081110 /nfs/dbraw/zinc/08/11/10/1072081110.db2.gz ZXDNSJNVBXCPBG-AWEZNQCLSA-N 1 0 398.533 -0.153 20 0 GBADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 ZINC001692470999 1072081007 /nfs/dbraw/zinc/08/10/07/1072081007.db2.gz ZXDNSJNVBXCPBG-CQSZACIVSA-N 1 0 398.533 -0.153 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 ZINC001692473217 1072080984 /nfs/dbraw/zinc/08/09/84/1072080984.db2.gz OLCZBAXOVZQIST-AWEZNQCLSA-N 1 0 398.533 -0.153 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 ZINC001692473218 1072081272 /nfs/dbraw/zinc/08/12/72/1072081272.db2.gz OLCZBAXOVZQIST-CQSZACIVSA-N 1 0 398.533 -0.153 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001692477091 1072081499 /nfs/dbraw/zinc/08/14/99/1072081499.db2.gz KSYWCRVKJRCWPU-KBPBESRZSA-N 1 0 390.492 -0.217 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001692477092 1072081336 /nfs/dbraw/zinc/08/13/36/1072081336.db2.gz KSYWCRVKJRCWPU-KGLIPLIRSA-N 1 0 390.492 -0.217 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001692477093 1072080686 /nfs/dbraw/zinc/08/06/86/1072080686.db2.gz KSYWCRVKJRCWPU-UONOGXRCSA-N 1 0 390.492 -0.217 20 0 GBADRO CC(C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001692477094 1072080791 /nfs/dbraw/zinc/08/07/91/1072080791.db2.gz KSYWCRVKJRCWPU-ZIAGYGMSSA-N 1 0 390.492 -0.217 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001692521455 1072082206 /nfs/dbraw/zinc/08/22/06/1072082206.db2.gz FBSRRYBQWULKLJ-GOSISDBHSA-N 1 0 380.493 -0.308 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001692521464 1072082188 /nfs/dbraw/zinc/08/21/88/1072082188.db2.gz FBSRRYBQWULKLJ-SFHVURJKSA-N 1 0 380.493 -0.308 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@]1(O)CCOC1 ZINC001692537797 1072082240 /nfs/dbraw/zinc/08/22/40/1072082240.db2.gz CKUYETLYMYNNEW-KBXCAEBGSA-N 1 0 394.476 -0.912 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@]1(O)CCOC1 ZINC001692537803 1072082105 /nfs/dbraw/zinc/08/21/05/1072082105.db2.gz CKUYETLYMYNNEW-KDOFPFPSSA-N 1 0 394.476 -0.912 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@]1(O)CCOC1 ZINC001692537804 1072082059 /nfs/dbraw/zinc/08/20/59/1072082059.db2.gz CKUYETLYMYNNEW-KSSFIOAISA-N 1 0 394.476 -0.912 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@]1(O)CCOC1 ZINC001692537806 1072082135 /nfs/dbraw/zinc/08/21/35/1072082135.db2.gz CKUYETLYMYNNEW-RDTXWAMCSA-N 1 0 394.476 -0.912 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCN(C(C)C)CC2)n1CCS(C)(=O)=O ZINC001692543947 1072081820 /nfs/dbraw/zinc/08/18/20/1072081820.db2.gz UGXHSOOPIAIJMJ-UHFFFAOYSA-N 1 0 386.522 -0.009 20 0 GBADRO CC(C)NC(=O)c1nnc(N2CCS(=O)CC2)n1CCOCC[NH+](C)C ZINC001692546219 1072082546 /nfs/dbraw/zinc/08/25/46/1072082546.db2.gz BZMPLCPMPDLEDU-UHFFFAOYSA-N 1 0 386.522 -0.437 20 0 GBADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001692702213 1072083968 /nfs/dbraw/zinc/08/39/68/1072083968.db2.gz BNEWPMKAAJTXHA-LLVKDONJSA-N 1 0 375.433 -0.108 20 0 GBADRO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001692702214 1072084100 /nfs/dbraw/zinc/08/41/00/1072084100.db2.gz BNEWPMKAAJTXHA-NSHDSACASA-N 1 0 375.433 -0.108 20 0 GBADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692705070 1072084079 /nfs/dbraw/zinc/08/40/79/1072084079.db2.gz JWDWCMMCIFFITG-GFCCVEGCSA-N 1 0 382.494 -0.329 20 0 GBADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692705085 1072084299 /nfs/dbraw/zinc/08/42/99/1072084299.db2.gz JWDWCMMCIFFITG-LBPRGKRZSA-N 1 0 382.494 -0.329 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001692707283 1072084257 /nfs/dbraw/zinc/08/42/57/1072084257.db2.gz BTJKVZGIKVZQIX-CABCVRRESA-N 1 0 379.509 -0.052 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001692707284 1072085444 /nfs/dbraw/zinc/08/54/44/1072085444.db2.gz BTJKVZGIKVZQIX-GJZGRUSLSA-N 1 0 379.509 -0.052 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001692707285 1072085061 /nfs/dbraw/zinc/08/50/61/1072085061.db2.gz BTJKVZGIKVZQIX-HUUCEWRRSA-N 1 0 379.509 -0.052 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001692707286 1072085042 /nfs/dbraw/zinc/08/50/42/1072085042.db2.gz BTJKVZGIKVZQIX-LSDHHAIUSA-N 1 0 379.509 -0.052 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)[NH+](C)C ZINC001692707343 1072084968 /nfs/dbraw/zinc/08/49/68/1072084968.db2.gz CQMAKHVYFWDOMD-MQYQWHSLSA-N 1 0 375.477 -0.106 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)[NH+](C)C ZINC001692707345 1072085172 /nfs/dbraw/zinc/08/51/72/1072085172.db2.gz CQMAKHVYFWDOMD-RFGFWPKPSA-N 1 0 375.477 -0.106 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001692707347 1072085434 /nfs/dbraw/zinc/08/54/34/1072085434.db2.gz CQMAKHVYFWDOMD-YIYPIFLZSA-N 1 0 375.477 -0.106 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001692707349 1072085396 /nfs/dbraw/zinc/08/53/96/1072085396.db2.gz CQMAKHVYFWDOMD-ZOBORPQBSA-N 1 0 375.477 -0.106 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)[N@H+](C)C1CC1 ZINC001692707820 1072085410 /nfs/dbraw/zinc/08/54/10/1072085410.db2.gz CYAWKYUBUVJGTR-GXTWGEPZSA-N 1 0 375.477 -0.010 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)[N@H+](C)C1CC1 ZINC001692707822 1072085088 /nfs/dbraw/zinc/08/50/88/1072085088.db2.gz CYAWKYUBUVJGTR-JSGCOSHPSA-N 1 0 375.477 -0.010 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)[N@H+](C)C1CC1 ZINC001692707824 1072084812 /nfs/dbraw/zinc/08/48/12/1072084812.db2.gz CYAWKYUBUVJGTR-OCCSQVGLSA-N 1 0 375.477 -0.010 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)[N@H+](C)C1CC1 ZINC001692707826 1072084863 /nfs/dbraw/zinc/08/48/63/1072084863.db2.gz CYAWKYUBUVJGTR-TZMCWYRMSA-N 1 0 375.477 -0.010 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692708258 1072085034 /nfs/dbraw/zinc/08/50/34/1072085034.db2.gz FLEMYGUCAXKLBN-CHWSQXEVSA-N 1 0 399.521 -0.739 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692708259 1072084901 /nfs/dbraw/zinc/08/49/01/1072084901.db2.gz FLEMYGUCAXKLBN-OLZOCXBDSA-N 1 0 399.521 -0.739 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692708260 1072085225 /nfs/dbraw/zinc/08/52/25/1072085225.db2.gz FLEMYGUCAXKLBN-QWHCGFSZSA-N 1 0 399.521 -0.739 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692708261 1072084775 /nfs/dbraw/zinc/08/47/75/1072084775.db2.gz FLEMYGUCAXKLBN-STQMWFEESA-N 1 0 399.521 -0.739 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692711308 1072085240 /nfs/dbraw/zinc/08/52/40/1072085240.db2.gz RTZMEGKZQRKKGG-NEPJUHHUSA-N 1 0 387.510 -0.835 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692711309 1072085076 /nfs/dbraw/zinc/08/50/76/1072085076.db2.gz RTZMEGKZQRKKGG-NWDGAFQWSA-N 1 0 387.510 -0.835 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692711310 1072084933 /nfs/dbraw/zinc/08/49/33/1072084933.db2.gz RTZMEGKZQRKKGG-RYUDHWBXSA-N 1 0 387.510 -0.835 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)[NH+](C)C ZINC001692711311 1072085022 /nfs/dbraw/zinc/08/50/22/1072085022.db2.gz RTZMEGKZQRKKGG-VXGBXAGGSA-N 1 0 387.510 -0.835 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001692712687 1072085099 /nfs/dbraw/zinc/08/50/99/1072085099.db2.gz WILTYVXLAXGFHN-GXTWGEPZSA-N 1 0 393.492 -0.350 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001692712696 1072084801 /nfs/dbraw/zinc/08/48/01/1072084801.db2.gz WILTYVXLAXGFHN-JSGCOSHPSA-N 1 0 393.492 -0.350 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001692712698 1072085163 /nfs/dbraw/zinc/08/51/63/1072085163.db2.gz WILTYVXLAXGFHN-OCCSQVGLSA-N 1 0 393.492 -0.350 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001692712700 1072084919 /nfs/dbraw/zinc/08/49/19/1072084919.db2.gz WILTYVXLAXGFHN-TZMCWYRMSA-N 1 0 393.492 -0.350 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001692713976 1072085322 /nfs/dbraw/zinc/08/53/22/1072085322.db2.gz YXNXGCQTEZYUEA-AGIUHOORSA-N 1 0 377.449 -0.180 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001692713977 1072085191 /nfs/dbraw/zinc/08/51/91/1072085191.db2.gz YXNXGCQTEZYUEA-FRRDWIJNSA-N 1 0 377.449 -0.180 20 0 GBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001692713978 1072084946 /nfs/dbraw/zinc/08/49/46/1072084946.db2.gz YXNXGCQTEZYUEA-JHJVBQTASA-N 1 0 377.449 -0.180 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001692713979 1072085258 /nfs/dbraw/zinc/08/52/58/1072085258.db2.gz YXNXGCQTEZYUEA-UPJWGTAASA-N 1 0 377.449 -0.180 20 0 GBADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001692726217 1072085383 /nfs/dbraw/zinc/08/53/83/1072085383.db2.gz VBMQURCBNLODHO-KBPBESRZSA-N 1 0 391.476 -0.009 20 0 GBADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001692726219 1072084959 /nfs/dbraw/zinc/08/49/59/1072084959.db2.gz VBMQURCBNLODHO-KGLIPLIRSA-N 1 0 391.476 -0.009 20 0 GBADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001692726221 1072084788 /nfs/dbraw/zinc/08/47/88/1072084788.db2.gz VBMQURCBNLODHO-UONOGXRCSA-N 1 0 391.476 -0.009 20 0 GBADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001692726223 1072084893 /nfs/dbraw/zinc/08/48/93/1072084893.db2.gz VBMQURCBNLODHO-ZIAGYGMSSA-N 1 0 391.476 -0.009 20 0 GBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001692728358 1072085000 /nfs/dbraw/zinc/08/50/00/1072085000.db2.gz PVYLAHWRJIRDHM-IGCXYCKISA-N 1 0 398.533 -0.168 20 0 GBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001692728359 1072084752 /nfs/dbraw/zinc/08/47/52/1072084752.db2.gz PVYLAHWRJIRDHM-IIYDPXPESA-N 1 0 398.533 -0.168 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001692728360 1072084724 /nfs/dbraw/zinc/08/47/24/1072084724.db2.gz PVYLAHWRJIRDHM-PBFPGSCMSA-N 1 0 398.533 -0.168 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001692728361 1072085351 /nfs/dbraw/zinc/08/53/51/1072085351.db2.gz PVYLAHWRJIRDHM-XNJGSVPQSA-N 1 0 398.533 -0.168 20 0 GBADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692732587 1072085337 /nfs/dbraw/zinc/08/53/37/1072085337.db2.gz YCJKTBDDAJTHIX-KBPBESRZSA-N 1 0 386.522 -0.186 20 0 GBADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692732592 1072085201 /nfs/dbraw/zinc/08/52/01/1072085201.db2.gz YCJKTBDDAJTHIX-KGLIPLIRSA-N 1 0 386.522 -0.186 20 0 GBADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692732594 1072085181 /nfs/dbraw/zinc/08/51/81/1072085181.db2.gz YCJKTBDDAJTHIX-UONOGXRCSA-N 1 0 386.522 -0.186 20 0 GBADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001692732595 1072085126 /nfs/dbraw/zinc/08/51/26/1072085126.db2.gz YCJKTBDDAJTHIX-ZIAGYGMSSA-N 1 0 386.522 -0.186 20 0 GBADRO C[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001692733085 1072085105 /nfs/dbraw/zinc/08/51/05/1072085105.db2.gz JSLJQUPWJMOYSL-CHWSQXEVSA-N 1 0 377.493 -0.327 20 0 GBADRO C[C@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001692733094 1072085082 /nfs/dbraw/zinc/08/50/82/1072085082.db2.gz JSLJQUPWJMOYSL-OLZOCXBDSA-N 1 0 377.493 -0.327 20 0 GBADRO C[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001692733096 1072084977 /nfs/dbraw/zinc/08/49/77/1072084977.db2.gz JSLJQUPWJMOYSL-QWHCGFSZSA-N 1 0 377.493 -0.327 20 0 GBADRO C[C@@H](Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)[NH+](C)C ZINC001692733098 1072084991 /nfs/dbraw/zinc/08/49/91/1072084991.db2.gz JSLJQUPWJMOYSL-STQMWFEESA-N 1 0 377.493 -0.327 20 0 GBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001692791818 1072085910 /nfs/dbraw/zinc/08/59/10/1072085910.db2.gz RHIKLQYDQGJFMO-DVOMOZLQSA-N 1 0 386.522 -0.056 20 0 GBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001692791821 1072086011 /nfs/dbraw/zinc/08/60/11/1072086011.db2.gz RHIKLQYDQGJFMO-HEHGZKQESA-N 1 0 386.522 -0.056 20 0 GBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001692791823 1072086031 /nfs/dbraw/zinc/08/60/31/1072086031.db2.gz RHIKLQYDQGJFMO-WWGRRREGSA-N 1 0 386.522 -0.056 20 0 GBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001692791825 1072085575 /nfs/dbraw/zinc/08/55/75/1072085575.db2.gz RHIKLQYDQGJFMO-XEZPLFJOSA-N 1 0 386.522 -0.056 20 0 GBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001692802006 1072086550 /nfs/dbraw/zinc/08/65/50/1072086550.db2.gz NYOKERHHVUSVHO-GFCCVEGCSA-N 1 0 399.521 -0.691 20 0 GBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001692802011 1072086831 /nfs/dbraw/zinc/08/68/31/1072086831.db2.gz NYOKERHHVUSVHO-LBPRGKRZSA-N 1 0 399.521 -0.691 20 0 GBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)C1CC1 ZINC001692804033 1072086809 /nfs/dbraw/zinc/08/68/09/1072086809.db2.gz SENLQBFLHSBYBF-NEPJUHHUSA-N 1 0 399.521 -0.693 20 0 GBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001692804036 1072086620 /nfs/dbraw/zinc/08/66/20/1072086620.db2.gz SENLQBFLHSBYBF-NWDGAFQWSA-N 1 0 399.521 -0.693 20 0 GBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)C1CC1 ZINC001692804037 1072086791 /nfs/dbraw/zinc/08/67/91/1072086791.db2.gz SENLQBFLHSBYBF-RYUDHWBXSA-N 1 0 399.521 -0.693 20 0 GBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)[N@H+](C)C1CC1 ZINC001692804039 1072086397 /nfs/dbraw/zinc/08/63/97/1072086397.db2.gz SENLQBFLHSBYBF-VXGBXAGGSA-N 1 0 399.521 -0.693 20 0 GBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001692806173 1072087329 /nfs/dbraw/zinc/08/73/29/1072087329.db2.gz RVLBTXDIZYIBBF-NEPJUHHUSA-N 1 0 392.551 -0.593 20 0 GBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001692806175 1072087537 /nfs/dbraw/zinc/08/75/37/1072087537.db2.gz RVLBTXDIZYIBBF-NWDGAFQWSA-N 1 0 392.551 -0.593 20 0 GBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001692806177 1072087377 /nfs/dbraw/zinc/08/73/77/1072087377.db2.gz RVLBTXDIZYIBBF-RYUDHWBXSA-N 1 0 392.551 -0.593 20 0 GBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001692806178 1072087638 /nfs/dbraw/zinc/08/76/38/1072087638.db2.gz RVLBTXDIZYIBBF-VXGBXAGGSA-N 1 0 392.551 -0.593 20 0 GBADRO Cc1nnc(N(C)CCNS(C)(=O)=O)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001693464352 1072089289 /nfs/dbraw/zinc/08/92/89/1072089289.db2.gz PGQZTZQRCXDRTK-UHFFFAOYSA-N 1 0 388.538 -0.193 20 0 GBADRO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693478066 1072090057 /nfs/dbraw/zinc/09/00/57/1072090057.db2.gz ZPIPKZZERVBPNS-IBGZPJMESA-N 1 0 392.504 -0.272 20 0 GBADRO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693478075 1072089594 /nfs/dbraw/zinc/08/95/94/1072089594.db2.gz ZPIPKZZERVBPNS-LJQANCHMSA-N 1 0 392.504 -0.272 20 0 GBADRO Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693503753 1072090595 /nfs/dbraw/zinc/09/05/95/1072090595.db2.gz XUGFBDVNKUMUQW-CXAGYDPISA-N 1 0 389.464 -0.815 20 0 GBADRO Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693503754 1072090617 /nfs/dbraw/zinc/09/06/17/1072090617.db2.gz XUGFBDVNKUMUQW-DYVFJYSZSA-N 1 0 389.464 -0.815 20 0 GBADRO Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693503755 1072090362 /nfs/dbraw/zinc/09/03/62/1072090362.db2.gz XUGFBDVNKUMUQW-GUYCJALGSA-N 1 0 389.464 -0.815 20 0 GBADRO Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693503756 1072090639 /nfs/dbraw/zinc/09/06/39/1072090639.db2.gz XUGFBDVNKUMUQW-SUMWQHHRSA-N 1 0 389.464 -0.815 20 0 GBADRO Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001693504622 1072090861 /nfs/dbraw/zinc/09/08/61/1072090861.db2.gz LSZLALWANZXNSC-QGZVFWFLSA-N 1 0 392.504 -0.006 20 0 GBADRO Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001693504628 1072090296 /nfs/dbraw/zinc/09/02/96/1072090296.db2.gz LYWUBPYUDMDVAU-AWEZNQCLSA-N 1 0 389.504 -0.002 20 0 GBADRO Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001693504629 1072090389 /nfs/dbraw/zinc/09/03/89/1072090389.db2.gz LYWUBPYUDMDVAU-CQSZACIVSA-N 1 0 389.504 -0.002 20 0 GBADRO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001693505931 1072090268 /nfs/dbraw/zinc/09/02/68/1072090268.db2.gz CDJXRVDPQOFANN-KRWDZBQOSA-N 1 0 393.536 -0.356 20 0 GBADRO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001693505932 1072090583 /nfs/dbraw/zinc/09/05/83/1072090583.db2.gz CDJXRVDPQOFANN-QGZVFWFLSA-N 1 0 393.536 -0.356 20 0 GBADRO Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001693506200 1072090777 /nfs/dbraw/zinc/09/07/77/1072090777.db2.gz FBSMXVJEETUHFC-ZDUSSCGKSA-N 1 0 386.522 -0.175 20 0 GBADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693510037 1072090503 /nfs/dbraw/zinc/09/05/03/1072090503.db2.gz IGHDXRRMRFQXBU-AUUYWEPGSA-N 1 0 391.520 -0.558 20 0 GBADRO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693510049 1072090705 /nfs/dbraw/zinc/09/07/05/1072090705.db2.gz IGHDXRRMRFQXBU-IFXJQAMLSA-N 1 0 391.520 -0.558 20 0 GBADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693510052 1072090524 /nfs/dbraw/zinc/09/05/24/1072090524.db2.gz IGHDXRRMRFQXBU-KUHUBIRLSA-N 1 0 391.520 -0.558 20 0 GBADRO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693510055 1072090840 /nfs/dbraw/zinc/09/08/40/1072090840.db2.gz IGHDXRRMRFQXBU-LIRRHRJNSA-N 1 0 391.520 -0.558 20 0 GBADRO Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001693516576 1072091604 /nfs/dbraw/zinc/09/16/04/1072091604.db2.gz KDTQJHQLIBGGCE-IBGZPJMESA-N 1 0 391.520 -0.602 20 0 GBADRO Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001693516577 1072091165 /nfs/dbraw/zinc/09/11/65/1072091165.db2.gz KDTQJHQLIBGGCE-LJQANCHMSA-N 1 0 391.520 -0.602 20 0 GBADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001693517532 1072091623 /nfs/dbraw/zinc/09/16/23/1072091623.db2.gz GXTCPTFGJPTNDD-GOSISDBHSA-N 1 0 378.477 -0.518 20 0 GBADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001693517533 1072091478 /nfs/dbraw/zinc/09/14/78/1072091478.db2.gz GXTCPTFGJPTNDD-SFHVURJKSA-N 1 0 378.477 -0.518 20 0 GBADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693518784 1072091714 /nfs/dbraw/zinc/09/17/14/1072091714.db2.gz QIAOUXSVYFBJKU-OAHLLOKOSA-N 1 0 375.477 -0.390 20 0 GBADRO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001693518898 1072091447 /nfs/dbraw/zinc/09/14/47/1072091447.db2.gz RUYFRUJCHLPQMU-INIZCTEOSA-N 1 0 392.504 -0.129 20 0 GBADRO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001693518899 1072091994 /nfs/dbraw/zinc/09/19/94/1072091994.db2.gz RUYFRUJCHLPQMU-MRXNPFEDSA-N 1 0 392.504 -0.129 20 0 GBADRO Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001693519106 1072092238 /nfs/dbraw/zinc/09/22/38/1072092238.db2.gz JLMKEFFOBWPIGA-HNNXBMFYSA-N 1 0 388.476 -0.102 20 0 GBADRO Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001693519110 1072092496 /nfs/dbraw/zinc/09/24/96/1072092496.db2.gz JLMKEFFOBWPIGA-OAHLLOKOSA-N 1 0 388.476 -0.102 20 0 GBADRO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519267 1072092638 /nfs/dbraw/zinc/09/26/38/1072092638.db2.gz WFBBQGDTQIVELG-CABCVRRESA-N 1 0 375.477 -0.392 20 0 GBADRO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001693519276 1072092115 /nfs/dbraw/zinc/09/21/15/1072092115.db2.gz WFBBQGDTQIVELG-HUUCEWRRSA-N 1 0 375.477 -0.392 20 0 GBADRO Cc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001693519284 1072092472 /nfs/dbraw/zinc/09/24/72/1072092472.db2.gz WLYYNRYLWHLPHF-UHFFFAOYSA-N 1 0 386.464 -0.816 20 0 GBADRO Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001693521862 1072092604 /nfs/dbraw/zinc/09/26/04/1072092604.db2.gz XSHQQTRUHBDWSC-INIZCTEOSA-N 1 0 378.477 -0.396 20 0 GBADRO Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001693521873 1072092563 /nfs/dbraw/zinc/09/25/63/1072092563.db2.gz XSHQQTRUHBDWSC-MRXNPFEDSA-N 1 0 378.477 -0.396 20 0 GBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693550575 1072092091 /nfs/dbraw/zinc/09/20/91/1072092091.db2.gz CYZLJRAVAWJSNZ-FOIQADDNSA-N 1 0 399.499 -0.003 20 0 GBADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693550581 1072092431 /nfs/dbraw/zinc/09/24/31/1072092431.db2.gz CYZLJRAVAWJSNZ-MGPUTAFESA-N 1 0 399.499 -0.003 20 0 GBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693550584 1072092383 /nfs/dbraw/zinc/09/23/83/1072092383.db2.gz CYZLJRAVAWJSNZ-QRWLVFNGSA-N 1 0 399.499 -0.003 20 0 GBADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693550587 1072092530 /nfs/dbraw/zinc/09/25/30/1072092530.db2.gz CYZLJRAVAWJSNZ-YWZLYKJASA-N 1 0 399.499 -0.003 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001693555432 1072093313 /nfs/dbraw/zinc/09/33/13/1072093313.db2.gz DWMUCRKYNSEBBX-DZGCQCFKSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001693555436 1072093144 /nfs/dbraw/zinc/09/31/44/1072093144.db2.gz DWMUCRKYNSEBBX-HIFRSBDPSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001693555438 1072092976 /nfs/dbraw/zinc/09/29/76/1072092976.db2.gz DWMUCRKYNSEBBX-UKRRQHHQSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001693555439 1072093265 /nfs/dbraw/zinc/09/32/65/1072093265.db2.gz DWMUCRKYNSEBBX-ZFWWWQNUSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001693558750 1072093462 /nfs/dbraw/zinc/09/34/62/1072093462.db2.gz ICLVNFJVUFZLER-DZGCQCFKSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001693558756 1072092987 /nfs/dbraw/zinc/09/29/87/1072092987.db2.gz ICLVNFJVUFZLER-HIFRSBDPSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001693558764 1072093342 /nfs/dbraw/zinc/09/33/42/1072093342.db2.gz ICLVNFJVUFZLER-UKRRQHHQSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001693558769 1072092962 /nfs/dbraw/zinc/09/29/62/1072092962.db2.gz ICLVNFJVUFZLER-ZFWWWQNUSA-N 1 0 375.477 -0.535 20 0 GBADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001693559183 1072093284 /nfs/dbraw/zinc/09/32/84/1072093284.db2.gz KFGCVYMHLBVYKK-HNNXBMFYSA-N 1 0 386.522 -0.485 20 0 GBADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001693559227 1072092919 /nfs/dbraw/zinc/09/29/19/1072092919.db2.gz KFGCVYMHLBVYKK-OAHLLOKOSA-N 1 0 386.522 -0.485 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001693562846 1072093446 /nfs/dbraw/zinc/09/34/46/1072093446.db2.gz KYFXQXNAKIUIBR-CVEARBPZSA-N 1 0 389.504 -0.146 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001693562869 1072093131 /nfs/dbraw/zinc/09/31/31/1072093131.db2.gz KYFXQXNAKIUIBR-HOTGVXAUSA-N 1 0 389.504 -0.146 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001693562873 1072093161 /nfs/dbraw/zinc/09/31/61/1072093161.db2.gz KYFXQXNAKIUIBR-HZPDHXFCSA-N 1 0 389.504 -0.146 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001693562877 1072093173 /nfs/dbraw/zinc/09/31/73/1072093173.db2.gz KYFXQXNAKIUIBR-JKSUJKDBSA-N 1 0 389.504 -0.146 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001693570079 1072093328 /nfs/dbraw/zinc/09/33/28/1072093328.db2.gz SAKGFJGWPORWEC-INIZCTEOSA-N 1 0 389.504 -0.144 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001693570085 1072093025 /nfs/dbraw/zinc/09/30/25/1072093025.db2.gz SAKGFJGWPORWEC-MRXNPFEDSA-N 1 0 389.504 -0.144 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001693573450 1072093425 /nfs/dbraw/zinc/09/34/25/1072093425.db2.gz WKMKTRHAZKTZHZ-KRWDZBQOSA-N 1 0 397.483 -0.157 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001693573451 1072092935 /nfs/dbraw/zinc/09/29/35/1072092935.db2.gz WKMKTRHAZKTZHZ-QGZVFWFLSA-N 1 0 397.483 -0.157 20 0 GBADRO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001693574381 1072093234 /nfs/dbraw/zinc/09/32/34/1072093234.db2.gz YPQFCYOCMYAYCS-UHFFFAOYSA-N 1 0 386.522 -0.221 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001693574419 1072093100 /nfs/dbraw/zinc/09/31/00/1072093100.db2.gz ZPBDIHFSTYEXBH-CXAGYDPISA-N 1 0 393.517 -0.829 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001693574420 1072092949 /nfs/dbraw/zinc/09/29/49/1072092949.db2.gz ZPBDIHFSTYEXBH-DYVFJYSZSA-N 1 0 393.517 -0.829 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001693574421 1072093336 /nfs/dbraw/zinc/09/33/36/1072093336.db2.gz ZPBDIHFSTYEXBH-GUYCJALGSA-N 1 0 393.517 -0.829 20 0 GBADRO Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001693574422 1072093053 /nfs/dbraw/zinc/09/30/53/1072093053.db2.gz ZPBDIHFSTYEXBH-SUMWQHHRSA-N 1 0 393.517 -0.829 20 0 GBADRO C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692066 1072093395 /nfs/dbraw/zinc/09/33/95/1072093395.db2.gz GUZZORJZZCEULA-KBPBESRZSA-N 1 0 396.517 -0.052 20 0 GBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692092 1072092866 /nfs/dbraw/zinc/09/28/66/1072092866.db2.gz GUZZORJZZCEULA-KGLIPLIRSA-N 1 0 396.517 -0.052 20 0 GBADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692093 1072092891 /nfs/dbraw/zinc/09/28/91/1072092891.db2.gz GUZZORJZZCEULA-UONOGXRCSA-N 1 0 396.517 -0.052 20 0 GBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 ZINC001693692095 1072093184 /nfs/dbraw/zinc/09/31/84/1072093184.db2.gz GUZZORJZZCEULA-ZIAGYGMSSA-N 1 0 396.517 -0.052 20 0 GBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693752089 1072093737 /nfs/dbraw/zinc/09/37/37/1072093737.db2.gz PPHNJTCPGPVTLV-ACJLOTCBSA-N 1 0 388.476 -0.588 20 0 GBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693752090 1072094178 /nfs/dbraw/zinc/09/41/78/1072094178.db2.gz PPHNJTCPGPVTLV-FZKQIMNGSA-N 1 0 388.476 -0.588 20 0 GBADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693752091 1072094087 /nfs/dbraw/zinc/09/40/87/1072094087.db2.gz PPHNJTCPGPVTLV-SCLBCKFNSA-N 1 0 388.476 -0.588 20 0 GBADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693752094 1072094005 /nfs/dbraw/zinc/09/40/05/1072094005.db2.gz PPHNJTCPGPVTLV-UGSOOPFHSA-N 1 0 388.476 -0.588 20 0 GBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693756729 1072093859 /nfs/dbraw/zinc/09/38/59/1072093859.db2.gz ZAVLJQCGNMQBGE-ACJLOTCBSA-N 1 0 386.460 -0.531 20 0 GBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693756833 1072094124 /nfs/dbraw/zinc/09/41/24/1072094124.db2.gz ZAVLJQCGNMQBGE-FZKQIMNGSA-N 1 0 386.460 -0.531 20 0 GBADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001693756836 1072093714 /nfs/dbraw/zinc/09/37/14/1072093714.db2.gz ZAVLJQCGNMQBGE-SCLBCKFNSA-N 1 0 386.460 -0.531 20 0 GBADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001693756838 1072094203 /nfs/dbraw/zinc/09/42/03/1072094203.db2.gz ZAVLJQCGNMQBGE-UGSOOPFHSA-N 1 0 386.460 -0.531 20 0 GBADRO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@H](C)[NH+](C)C ZINC001694747886 1072098134 /nfs/dbraw/zinc/09/81/34/1072098134.db2.gz CMOIBJIMLCVJHF-HNNXBMFYSA-N 1 0 381.525 -0.325 20 0 GBADRO CCc1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C[C@@H](C)[NH+](C)C ZINC001694747887 1072098299 /nfs/dbraw/zinc/09/82/99/1072098299.db2.gz CMOIBJIMLCVJHF-OAHLLOKOSA-N 1 0 381.525 -0.325 20 0 GBADRO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001694749891 1072098677 /nfs/dbraw/zinc/09/86/77/1072098677.db2.gz GFIMGWFNYXTPMH-CABCVRRESA-N 1 0 380.493 -0.240 20 0 GBADRO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001694749899 1072098568 /nfs/dbraw/zinc/09/85/68/1072098568.db2.gz GFIMGWFNYXTPMH-GJZGRUSLSA-N 1 0 380.493 -0.240 20 0 GBADRO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001694749900 1072098100 /nfs/dbraw/zinc/09/81/00/1072098100.db2.gz GFIMGWFNYXTPMH-HUUCEWRRSA-N 1 0 380.493 -0.240 20 0 GBADRO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001694749901 1072099465 /nfs/dbraw/zinc/09/94/65/1072099465.db2.gz GFIMGWFNYXTPMH-LSDHHAIUSA-N 1 0 380.493 -0.240 20 0 GBADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)CCOC ZINC001694785808 1072100063 /nfs/dbraw/zinc/10/00/63/1072100063.db2.gz OTZBIPBKBTTYKE-HNNXBMFYSA-N 1 0 390.492 -0.028 20 0 GBADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC[N@H+](C)CCOC ZINC001694785811 1072100089 /nfs/dbraw/zinc/10/00/89/1072100089.db2.gz OTZBIPBKBTTYKE-OAHLLOKOSA-N 1 0 390.492 -0.028 20 0 GBADRO CC[C@H]1CN(c2nnc(C)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001694923331 1072100458 /nfs/dbraw/zinc/10/04/58/1072100458.db2.gz QIALAVRKMOKXCO-INIZCTEOSA-N 1 0 380.493 -0.008 20 0 GBADRO CC[C@@H]1CN(c2nnc(C)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001694923395 1072100544 /nfs/dbraw/zinc/10/05/44/1072100544.db2.gz QIALAVRKMOKXCO-MRXNPFEDSA-N 1 0 380.493 -0.008 20 0 GBADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001695371661 1072101257 /nfs/dbraw/zinc/10/12/57/1072101257.db2.gz RQGBVNPVUWNNGV-CABCVRRESA-N 1 0 375.477 -0.535 20 0 GBADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001695371662 1072101308 /nfs/dbraw/zinc/10/13/08/1072101308.db2.gz RQGBVNPVUWNNGV-GJZGRUSLSA-N 1 0 375.477 -0.535 20 0 GBADRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001695371663 1072101292 /nfs/dbraw/zinc/10/12/92/1072101292.db2.gz RQGBVNPVUWNNGV-HUUCEWRRSA-N 1 0 375.477 -0.535 20 0 GBADRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001695371664 1072101276 /nfs/dbraw/zinc/10/12/76/1072101276.db2.gz RQGBVNPVUWNNGV-LSDHHAIUSA-N 1 0 375.477 -0.535 20 0 GBADRO CCCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001695436519 1072101204 /nfs/dbraw/zinc/10/12/04/1072101204.db2.gz OTDOTWMBHDXIPU-UHFFFAOYSA-N 1 0 377.493 -0.143 20 0 GBADRO CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001695495598 1072101795 /nfs/dbraw/zinc/10/17/95/1072101795.db2.gz DNEUNNFMEMJYCS-HNNXBMFYSA-N 1 0 377.493 -0.192 20 0 GBADRO CCN(C)C(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001695495613 1072101854 /nfs/dbraw/zinc/10/18/54/1072101854.db2.gz DNEUNNFMEMJYCS-OAHLLOKOSA-N 1 0 377.493 -0.192 20 0 GBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2COCCO2)CC1 ZINC001695644964 1072103167 /nfs/dbraw/zinc/10/31/67/1072103167.db2.gz OISZUPFUFAYSFE-INIZCTEOSA-N 1 0 380.493 -0.008 20 0 GBADRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001695664251 1072103277 /nfs/dbraw/zinc/10/32/77/1072103277.db2.gz PKSCMMKIRCSZRV-CQSZACIVSA-N 1 0 390.496 -0.348 20 0 GBADRO CCN1C(=O)[C@@H]2CN(c3nnc(C)n3CCOCC[NH+](C)C)CCN2C1=O ZINC001695775923 1072103328 /nfs/dbraw/zinc/10/33/28/1072103328.db2.gz DRFNZGYQKRTQGL-AWEZNQCLSA-N 1 0 379.465 -0.363 20 0 GBADRO CCN1C(=O)[C@H]2CN(c3nnc(C)n3CCOCC[NH+](C)C)CCN2C1=O ZINC001695775924 1072103194 /nfs/dbraw/zinc/10/31/94/1072103194.db2.gz DRFNZGYQKRTQGL-CQSZACIVSA-N 1 0 379.465 -0.363 20 0 GBADRO CC[N@@H+]1CC[C@H](Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001695827394 1072104045 /nfs/dbraw/zinc/10/40/45/1072104045.db2.gz DWVAIODYMFQLAX-HNNXBMFYSA-N 1 0 389.504 -0.144 20 0 GBADRO CC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC001695827395 1072103772 /nfs/dbraw/zinc/10/37/72/1072103772.db2.gz DWVAIODYMFQLAX-OAHLLOKOSA-N 1 0 389.504 -0.144 20 0 GBADRO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001695864696 1072103843 /nfs/dbraw/zinc/10/38/43/1072103843.db2.gz PLYSHRYQLYKEAK-BEFAXECRSA-N 1 0 392.504 -0.093 20 0 GBADRO CCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001695864699 1072103906 /nfs/dbraw/zinc/10/39/06/1072103906.db2.gz PLYSHRYQLYKEAK-DNVCBOLYSA-N 1 0 392.504 -0.093 20 0 GBADRO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001695864701 1072104162 /nfs/dbraw/zinc/10/41/62/1072104162.db2.gz PLYSHRYQLYKEAK-HNAYVOBHSA-N 1 0 392.504 -0.093 20 0 GBADRO CCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001695864703 1072104075 /nfs/dbraw/zinc/10/40/75/1072104075.db2.gz PLYSHRYQLYKEAK-KXBFYZLASA-N 1 0 392.504 -0.093 20 0 GBADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870351 1072104208 /nfs/dbraw/zinc/10/42/08/1072104208.db2.gz WDLCKLSTVQYRSC-GDBMZVCRSA-N 1 0 379.509 -0.436 20 0 GBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001695870352 1072103864 /nfs/dbraw/zinc/10/38/64/1072103864.db2.gz WDLCKLSTVQYRSC-GOEBONIOSA-N 1 0 379.509 -0.436 20 0 GBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870354 1072104149 /nfs/dbraw/zinc/10/41/49/1072104149.db2.gz WDLCKLSTVQYRSC-HOCLYGCPSA-N 1 0 379.509 -0.436 20 0 GBADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001695870356 1072103975 /nfs/dbraw/zinc/10/39/75/1072103975.db2.gz WDLCKLSTVQYRSC-ZBFHGGJFSA-N 1 0 379.509 -0.436 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001695873141 1072103997 /nfs/dbraw/zinc/10/39/97/1072103997.db2.gz JKLHJMJOGVFGAW-GFCCVEGCSA-N 1 0 376.469 -0.482 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001695873189 1072103854 /nfs/dbraw/zinc/10/38/54/1072103854.db2.gz JKLHJMJOGVFGAW-LBPRGKRZSA-N 1 0 376.469 -0.482 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001695878096 1072104131 /nfs/dbraw/zinc/10/41/31/1072104131.db2.gz SGXQJASHZANBKR-CYBMUJFWSA-N 1 0 396.521 -0.242 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001695878109 1072104080 /nfs/dbraw/zinc/10/40/80/1072104080.db2.gz SGXQJASHZANBKR-ZDUSSCGKSA-N 1 0 396.521 -0.242 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnn(C)n2)C[C@H]1C ZINC001695882577 1072103886 /nfs/dbraw/zinc/10/38/86/1072103886.db2.gz PPOSDKQRTMPQLI-CYBMUJFWSA-N 1 0 388.480 -0.497 20 0 GBADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001695882648 1072103799 /nfs/dbraw/zinc/10/37/99/1072103799.db2.gz PPOSDKQRTMPQLI-ZDUSSCGKSA-N 1 0 388.480 -0.497 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001695886851 1072103914 /nfs/dbraw/zinc/10/39/14/1072103914.db2.gz WULBFYKRWZZIAN-CHWSQXEVSA-N 1 0 399.521 -0.691 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001695886856 1072104097 /nfs/dbraw/zinc/10/40/97/1072104097.db2.gz WULBFYKRWZZIAN-OLZOCXBDSA-N 1 0 399.521 -0.691 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001695886857 1072103779 /nfs/dbraw/zinc/10/37/79/1072103779.db2.gz WULBFYKRWZZIAN-QWHCGFSZSA-N 1 0 399.521 -0.691 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001695886859 1072103814 /nfs/dbraw/zinc/10/38/14/1072103814.db2.gz WULBFYKRWZZIAN-STQMWFEESA-N 1 0 399.521 -0.691 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001695887039 1072103792 /nfs/dbraw/zinc/10/37/92/1072103792.db2.gz HHLVTOGNUIGQJI-KBPBESRZSA-N 1 0 386.522 -0.138 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001695887046 1072103991 /nfs/dbraw/zinc/10/39/91/1072103991.db2.gz HHLVTOGNUIGQJI-KGLIPLIRSA-N 1 0 386.522 -0.138 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001695887048 1072104194 /nfs/dbraw/zinc/10/41/94/1072104194.db2.gz HHLVTOGNUIGQJI-UONOGXRCSA-N 1 0 386.522 -0.138 20 0 GBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001695887051 1072103928 /nfs/dbraw/zinc/10/39/28/1072103928.db2.gz HHLVTOGNUIGQJI-ZIAGYGMSSA-N 1 0 386.522 -0.138 20 0 GBADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001695900797 1072103956 /nfs/dbraw/zinc/10/39/56/1072103956.db2.gz VDFNWAPMVYQATE-IAGOWNOFSA-N 1 0 394.520 -0.026 20 0 GBADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001695929452 1072104114 /nfs/dbraw/zinc/10/41/14/1072104114.db2.gz SJPMVAAWPPAEBJ-IBGZPJMESA-N 1 0 393.536 -0.274 20 0 GBADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001695929458 1072104058 /nfs/dbraw/zinc/10/40/58/1072104058.db2.gz SJPMVAAWPPAEBJ-LJQANCHMSA-N 1 0 393.536 -0.274 20 0 GBADRO CCNC(=O)CN1CCN(c2nnc(C)n2CCCC[NH+]2CCOCC2)CC1 ZINC001695933574 1072104862 /nfs/dbraw/zinc/10/48/62/1072104862.db2.gz ZZHAHFQNJPXUAR-UHFFFAOYSA-N 1 0 393.536 -0.043 20 0 GBADRO CCOCc1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696293609 1072105981 /nfs/dbraw/zinc/10/59/81/1072105981.db2.gz CSZIQXRQVQAXJN-GOSISDBHSA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCC(NC(C)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696293635 1072105943 /nfs/dbraw/zinc/10/59/43/1072105943.db2.gz CSZIQXRQVQAXJN-SFHVURJKSA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696316372 1072106083 /nfs/dbraw/zinc/10/60/83/1072106083.db2.gz UYSGWZZUUNOTCD-CRAIPNDOSA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696316375 1072106108 /nfs/dbraw/zinc/10/61/08/1072106108.db2.gz UYSGWZZUUNOTCD-MAUKXSAKSA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696316377 1072105959 /nfs/dbraw/zinc/10/59/59/1072105959.db2.gz UYSGWZZUUNOTCD-QAPCUYQASA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696316379 1072106009 /nfs/dbraw/zinc/10/60/09/1072106009.db2.gz UYSGWZZUUNOTCD-YJBOKZPZSA-N 1 0 380.493 -0.014 20 0 GBADRO CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696339765 1072106578 /nfs/dbraw/zinc/10/65/78/1072106578.db2.gz XBQQDHATAVBIMU-GOSISDBHSA-N 1 0 396.492 -0.824 20 0 GBADRO CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696339766 1072106464 /nfs/dbraw/zinc/10/64/64/1072106464.db2.gz XBQQDHATAVBIMU-SFHVURJKSA-N 1 0 396.492 -0.824 20 0 GBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[NH+]1CCCC1 ZINC001696344800 1072107369 /nfs/dbraw/zinc/10/73/69/1072107369.db2.gz SUFKHQLSUDUPNI-AWEZNQCLSA-N 1 0 391.476 -0.943 20 0 GBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[NH+]1CCCC1 ZINC001696344802 1072107377 /nfs/dbraw/zinc/10/73/77/1072107377.db2.gz SUFKHQLSUDUPNI-CQSZACIVSA-N 1 0 391.476 -0.943 20 0 GBADRO CCS(=O)(=O)NC1CCN(c2nnc(C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001696492470 1072107848 /nfs/dbraw/zinc/10/78/48/1072107848.db2.gz SZJWTWITPQMEQK-INIZCTEOSA-N 1 0 386.522 -0.439 20 0 GBADRO CCS(=O)(=O)NC1CCN(c2nnc(C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001696492471 1072107764 /nfs/dbraw/zinc/10/77/64/1072107764.db2.gz SZJWTWITPQMEQK-MRXNPFEDSA-N 1 0 386.522 -0.439 20 0 GBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001696596593 1072110151 /nfs/dbraw/zinc/11/01/51/1072110151.db2.gz CTVRLHQBTBZAEK-KBPBESRZSA-N 1 0 375.477 -0.104 20 0 GBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001696596594 1072110214 /nfs/dbraw/zinc/11/02/14/1072110214.db2.gz CTVRLHQBTBZAEK-KGLIPLIRSA-N 1 0 375.477 -0.104 20 0 GBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001696596595 1072110203 /nfs/dbraw/zinc/11/02/03/1072110203.db2.gz CTVRLHQBTBZAEK-UONOGXRCSA-N 1 0 375.477 -0.104 20 0 GBADRO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001696596596 1072110217 /nfs/dbraw/zinc/11/02/17/1072110217.db2.gz CTVRLHQBTBZAEK-ZIAGYGMSSA-N 1 0 375.477 -0.104 20 0 GBADRO C[NH+](C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)CCOCC1 ZINC001696606391 1072110256 /nfs/dbraw/zinc/11/02/56/1072110256.db2.gz ZCJRTGZAUKOJPB-CYBMUJFWSA-N 1 0 391.476 -0.724 20 0 GBADRO C[NH+](C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)C2)CCOCC1 ZINC001696606393 1072110288 /nfs/dbraw/zinc/11/02/88/1072110288.db2.gz ZCJRTGZAUKOJPB-ZDUSSCGKSA-N 1 0 391.476 -0.724 20 0 GBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001696617465 1072110231 /nfs/dbraw/zinc/11/02/31/1072110231.db2.gz MMKUVZNWHMGXRU-AWEZNQCLSA-N 1 0 393.492 -0.596 20 0 GBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001696617466 1072110287 /nfs/dbraw/zinc/11/02/87/1072110287.db2.gz MMKUVZNWHMGXRU-CQSZACIVSA-N 1 0 393.492 -0.596 20 0 GBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001696620139 1072110279 /nfs/dbraw/zinc/11/02/79/1072110279.db2.gz JBCSABZSMBQYLC-CHWSQXEVSA-N 1 0 379.465 -0.881 20 0 GBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001696620140 1072110187 /nfs/dbraw/zinc/11/01/87/1072110187.db2.gz JBCSABZSMBQYLC-OLZOCXBDSA-N 1 0 379.465 -0.881 20 0 GBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001696620141 1072110301 /nfs/dbraw/zinc/11/03/01/1072110301.db2.gz JBCSABZSMBQYLC-QWHCGFSZSA-N 1 0 379.465 -0.881 20 0 GBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001696620142 1072110194 /nfs/dbraw/zinc/11/01/94/1072110194.db2.gz JBCSABZSMBQYLC-STQMWFEESA-N 1 0 379.465 -0.881 20 0 GBADRO Cn1cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001696621561 1072110291 /nfs/dbraw/zinc/11/02/91/1072110291.db2.gz UCEXJWHQSCVQBA-UHFFFAOYSA-N 1 0 390.492 -0.042 20 0 GBADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCS(=O)CC1 ZINC001696622075 1072110163 /nfs/dbraw/zinc/11/01/63/1072110163.db2.gz VPOMNEWEINJFIX-UHFFFAOYSA-N 1 0 379.490 -0.118 20 0 GBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 ZINC001696622216 1072110204 /nfs/dbraw/zinc/11/02/04/1072110204.db2.gz YLMXCZJYNKJBEH-CYBMUJFWSA-N 1 0 379.465 -0.866 20 0 GBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 ZINC001696622220 1072110274 /nfs/dbraw/zinc/11/02/74/1072110274.db2.gz YLMXCZJYNKJBEH-ZDUSSCGKSA-N 1 0 379.465 -0.866 20 0 GBADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC[NH+]1CCCC1 ZINC001696826886 1072111572 /nfs/dbraw/zinc/11/15/72/1072111572.db2.gz NLTOUSRJMQYNSR-UHFFFAOYSA-N 1 0 394.505 -0.184 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCOC(C)(C)C2)C1 ZINC001696875028 1072112633 /nfs/dbraw/zinc/11/26/33/1072112633.db2.gz BKOYDVKVDVFMOF-ACJLOTCBSA-N 1 0 378.477 -0.089 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCOC(C)(C)C2)C1 ZINC001696875029 1072112688 /nfs/dbraw/zinc/11/26/88/1072112688.db2.gz BKOYDVKVDVFMOF-FZKQIMNGSA-N 1 0 378.477 -0.089 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCOC(C)(C)C2)C1 ZINC001696875030 1072112519 /nfs/dbraw/zinc/11/25/19/1072112519.db2.gz BKOYDVKVDVFMOF-SCLBCKFNSA-N 1 0 378.477 -0.089 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCOC(C)(C)C2)C1 ZINC001696875031 1072112550 /nfs/dbraw/zinc/11/25/50/1072112550.db2.gz BKOYDVKVDVFMOF-UGSOOPFHSA-N 1 0 378.477 -0.089 20 0 GBADRO Cn1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC001696875595 1072112612 /nfs/dbraw/zinc/11/26/12/1072112612.db2.gz GNXPQRDNMDXYIT-ACJLOTCBSA-N 1 0 388.476 -0.553 20 0 GBADRO Cn1cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC001696875614 1072112728 /nfs/dbraw/zinc/11/27/28/1072112728.db2.gz GNXPQRDNMDXYIT-FZKQIMNGSA-N 1 0 388.476 -0.553 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001696875834 1072112762 /nfs/dbraw/zinc/11/27/62/1072112762.db2.gz HRQUTQAHHAQQHR-HBUWYVDXSA-N 1 0 378.477 -0.450 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001696875835 1072112713 /nfs/dbraw/zinc/11/27/13/1072112713.db2.gz HRQUTQAHHAQQHR-QWQRMKEZSA-N 1 0 378.477 -0.450 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c(C3CC3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001696876168 1072112830 /nfs/dbraw/zinc/11/28/30/1072112830.db2.gz LPEVLTSNIOJLMD-GOSISDBHSA-N 1 0 378.477 -0.307 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c(C3CC3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001696876174 1072112811 /nfs/dbraw/zinc/11/28/11/1072112811.db2.gz LPEVLTSNIOJLMD-SFHVURJKSA-N 1 0 378.477 -0.307 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001696876664 1072112586 /nfs/dbraw/zinc/11/25/86/1072112586.db2.gz RDVARTKAUUNRRX-CXAGYDPISA-N 1 0 394.501 -0.037 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001696876665 1072112696 /nfs/dbraw/zinc/11/26/96/1072112696.db2.gz RDVARTKAUUNRRX-DYVFJYSZSA-N 1 0 394.501 -0.037 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001696876666 1072112676 /nfs/dbraw/zinc/11/26/76/1072112676.db2.gz RDVARTKAUUNRRX-GUYCJALGSA-N 1 0 394.501 -0.037 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001696876667 1072112824 /nfs/dbraw/zinc/11/28/24/1072112824.db2.gz RDVARTKAUUNRRX-SUMWQHHRSA-N 1 0 394.501 -0.037 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOCC2)C1 ZINC001696876686 1072112664 /nfs/dbraw/zinc/11/26/64/1072112664.db2.gz LJXBHVPVRQKNEH-GOSISDBHSA-N 1 0 387.444 -0.171 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOCC2)C1 ZINC001696876687 1072112817 /nfs/dbraw/zinc/11/28/17/1072112817.db2.gz LJXBHVPVRQKNEH-SFHVURJKSA-N 1 0 387.444 -0.171 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001696877025 1072112671 /nfs/dbraw/zinc/11/26/71/1072112671.db2.gz VDZBLUIEPUJFFJ-KBXCAEBGSA-N 1 0 378.477 -0.450 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001696877026 1072112572 /nfs/dbraw/zinc/11/25/72/1072112572.db2.gz VDZBLUIEPUJFFJ-KDOFPFPSSA-N 1 0 378.477 -0.450 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001696877027 1072112648 /nfs/dbraw/zinc/11/26/48/1072112648.db2.gz VDZBLUIEPUJFFJ-KSSFIOAISA-N 1 0 378.477 -0.450 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001696877028 1072112743 /nfs/dbraw/zinc/11/27/43/1072112743.db2.gz VDZBLUIEPUJFFJ-RDTXWAMCSA-N 1 0 378.477 -0.450 20 0 GBADRO CN1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001696877809 1072112558 /nfs/dbraw/zinc/11/25/58/1072112558.db2.gz CJDDUVAFZKMUCU-IBGZPJMESA-N 1 0 385.472 -0.391 20 0 GBADRO CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001696877810 1072112567 /nfs/dbraw/zinc/11/25/67/1072112567.db2.gz CJDDUVAFZKMUCU-LJQANCHMSA-N 1 0 385.472 -0.391 20 0 GBADRO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccsc3)nnc2N2CCNC(=O)C2)C1 ZINC001696877824 1072113186 /nfs/dbraw/zinc/11/31/86/1072113186.db2.gz CSAKWJIUSPNDGY-KRWDZBQOSA-N 1 0 376.486 -0.067 20 0 GBADRO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccsc3)nnc2N2CCNC(=O)C2)C1 ZINC001696877825 1072113210 /nfs/dbraw/zinc/11/32/10/1072113210.db2.gz CSAKWJIUSPNDGY-QGZVFWFLSA-N 1 0 376.486 -0.067 20 0 GBADRO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696877836 1072113198 /nfs/dbraw/zinc/11/31/98/1072113198.db2.gz DDFQPONMQGOYSR-IBGZPJMESA-N 1 0 394.520 -0.063 20 0 GBADRO CN(CC(=O)N1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696877837 1072113170 /nfs/dbraw/zinc/11/31/70/1072113170.db2.gz DDFQPONMQGOYSR-LJQANCHMSA-N 1 0 394.520 -0.063 20 0 GBADRO CN(CC(=O)N1CCOCC1)c1nnc(CC2CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696878121 1072113285 /nfs/dbraw/zinc/11/32/85/1072113285.db2.gz INVNEVAXQLPXEZ-IBGZPJMESA-N 1 0 392.504 -0.408 20 0 GBADRO CN(CC(=O)N1CCOCC1)c1nnc(CC2CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696878122 1072113179 /nfs/dbraw/zinc/11/31/79/1072113179.db2.gz INVNEVAXQLPXEZ-LJQANCHMSA-N 1 0 392.504 -0.408 20 0 GBADRO CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1=O ZINC001696881702 1072113239 /nfs/dbraw/zinc/11/32/39/1072113239.db2.gz KIUZGHWHJWBBCR-CYBMUJFWSA-N 1 0 393.517 -0.444 20 0 GBADRO CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCSCC2)CC1=O ZINC001696881703 1072113175 /nfs/dbraw/zinc/11/31/75/1072113175.db2.gz KIUZGHWHJWBBCR-ZDUSSCGKSA-N 1 0 393.517 -0.444 20 0 GBADRO CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001696889564 1072113786 /nfs/dbraw/zinc/11/37/86/1072113786.db2.gz LHPLVDRWDHDYDC-CVEARBPZSA-N 1 0 392.504 -0.093 20 0 GBADRO CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001696889565 1072113846 /nfs/dbraw/zinc/11/38/46/1072113846.db2.gz LHPLVDRWDHDYDC-HOTGVXAUSA-N 1 0 392.504 -0.093 20 0 GBADRO CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001696889566 1072113792 /nfs/dbraw/zinc/11/37/92/1072113792.db2.gz LHPLVDRWDHDYDC-HZPDHXFCSA-N 1 0 392.504 -0.093 20 0 GBADRO CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001696889567 1072113864 /nfs/dbraw/zinc/11/38/64/1072113864.db2.gz LHPLVDRWDHDYDC-JKSUJKDBSA-N 1 0 392.504 -0.093 20 0 GBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCC2)CCO1 ZINC001696966858 1072115000 /nfs/dbraw/zinc/11/50/00/1072115000.db2.gz NFROWJGGEOIULC-HNNXBMFYSA-N 1 0 388.476 -0.274 20 0 GBADRO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCC2)CCO1 ZINC001696966865 1072114877 /nfs/dbraw/zinc/11/48/77/1072114877.db2.gz NFROWJGGEOIULC-OAHLLOKOSA-N 1 0 388.476 -0.274 20 0 GBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)CCOC)CCO1 ZINC001696971983 1072116232 /nfs/dbraw/zinc/11/62/32/1072116232.db2.gz ZSGYDLUFJHCAEB-CABCVRRESA-N 1 0 396.492 -0.689 20 0 GBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)CCOC)CCO1 ZINC001696971984 1072115997 /nfs/dbraw/zinc/11/59/97/1072115997.db2.gz ZSGYDLUFJHCAEB-GJZGRUSLSA-N 1 0 396.492 -0.689 20 0 GBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)CCOC)CCO1 ZINC001696971985 1072116178 /nfs/dbraw/zinc/11/61/78/1072116178.db2.gz ZSGYDLUFJHCAEB-HUUCEWRRSA-N 1 0 396.492 -0.689 20 0 GBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)CCOC)CCO1 ZINC001696971986 1072116012 /nfs/dbraw/zinc/11/60/12/1072116012.db2.gz ZSGYDLUFJHCAEB-LSDHHAIUSA-N 1 0 396.492 -0.689 20 0 GBADRO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696983603 1072116081 /nfs/dbraw/zinc/11/60/81/1072116081.db2.gz ISDHYTINERSFIE-GOSISDBHSA-N 1 0 388.476 -0.236 20 0 GBADRO CNC(=O)CCCN(C)c1nnc(-c2cnccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696983604 1072116205 /nfs/dbraw/zinc/11/62/05/1072116205.db2.gz ISDHYTINERSFIE-SFHVURJKSA-N 1 0 388.476 -0.236 20 0 GBADRO CNC(=O)CCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696983830 1072116168 /nfs/dbraw/zinc/11/61/68/1072116168.db2.gz NMACSDHDMOQXIY-ACJLOTCBSA-N 1 0 393.492 -0.742 20 0 GBADRO CNC(=O)CCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696983831 1072116117 /nfs/dbraw/zinc/11/61/17/1072116117.db2.gz NMACSDHDMOQXIY-FZKQIMNGSA-N 1 0 393.492 -0.742 20 0 GBADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001696983832 1072116226 /nfs/dbraw/zinc/11/62/26/1072116226.db2.gz NMACSDHDMOQXIY-SCLBCKFNSA-N 1 0 393.492 -0.742 20 0 GBADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001696983833 1072116102 /nfs/dbraw/zinc/11/61/02/1072116102.db2.gz NMACSDHDMOQXIY-UGSOOPFHSA-N 1 0 393.492 -0.742 20 0 GBADRO CNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001697015109 1072117728 /nfs/dbraw/zinc/11/77/28/1072117728.db2.gz OHVHCZINGYNFIB-KBXCAEBGSA-N 1 0 393.492 -0.690 20 0 GBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001697015110 1072117676 /nfs/dbraw/zinc/11/76/76/1072117676.db2.gz OHVHCZINGYNFIB-KDOFPFPSSA-N 1 0 393.492 -0.690 20 0 GBADRO CNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001697015111 1072117796 /nfs/dbraw/zinc/11/77/96/1072117796.db2.gz OHVHCZINGYNFIB-KSSFIOAISA-N 1 0 393.492 -0.690 20 0 GBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001697015112 1072118121 /nfs/dbraw/zinc/11/81/21/1072118121.db2.gz OHVHCZINGYNFIB-RDTXWAMCSA-N 1 0 393.492 -0.690 20 0 GBADRO CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001697024641 1072118717 /nfs/dbraw/zinc/11/87/17/1072118717.db2.gz PBHMOGOXZCLSPA-CYBMUJFWSA-N 1 0 386.522 -0.138 20 0 GBADRO CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001697024642 1072118786 /nfs/dbraw/zinc/11/87/86/1072118786.db2.gz 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