smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CCOCC3)n(CC[NH+]3CCCCC3)c2c(=O)[nH]c1=O ZINC000000625768 483395150 /nfs/dbraw/zinc/39/51/50/483395150.db2.gz ZSBIXDYYIAEKPZ-UHFFFAOYSA-N 1 0 362.434 -0.254 50 0 FBAARO CN1CCc2c3ccccc3n(C[C@H](O)C[NH+](CCO)CCO)c2C1=O ZINC000000803229 485137569 /nfs/dbraw/zinc/13/75/69/485137569.db2.gz MYFCPDLICZLDEE-CQSZACIVSA-N 1 0 361.442 -0.083 50 0 FBAARO CN1CCc2c3ccccc3n(C[C@@H](O)C[NH+](CCO)CCO)c2C1=O ZINC000000803230 210225319 /nfs/dbraw/zinc/22/53/19/210225319.db2.gz MYFCPDLICZLDEE-AWEZNQCLSA-N 1 0 361.442 -0.083 50 0 FBAARO Cn1c2ncn(CC[N@H+](CCO)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000850394 483395405 /nfs/dbraw/zinc/39/54/05/483395405.db2.gz XXVDVZFDOWMKLD-UHFFFAOYSA-N 1 0 357.414 -0.072 50 0 FBAARO CC[NH+](CC)C[C@H](O)COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000001764550 219417720 /nfs/dbraw/zinc/41/77/20/219417720.db2.gz AAYKKHPOQWVXNI-NSHDSACASA-N 1 0 353.423 -0.810 50 0 FBAARO CC[NH+](CC)C[C@@H](O)COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000001764552 204018755 /nfs/dbraw/zinc/01/87/55/204018755.db2.gz AAYKKHPOQWVXNI-LLVKDONJSA-N 1 0 353.423 -0.810 50 0 FBAARO Cn1c2nc(NCC[NH3+])n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000001840590 204021144 /nfs/dbraw/zinc/02/11/44/204021144.db2.gz MHGZASNZECGFEF-NSHDSACASA-N 1 0 374.401 -0.766 50 0 FBAARO Cn1c2nc(NCC[NH3+])n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000001840591 210373806 /nfs/dbraw/zinc/37/38/06/210373806.db2.gz MHGZASNZECGFEF-LLVKDONJSA-N 1 0 374.401 -0.766 50 0 FBAARO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002384977 204036215 /nfs/dbraw/zinc/03/62/15/204036215.db2.gz QADCERNTBWTXFV-JSGCOSHPSA-N 1 0 360.418 -0.130 50 0 endogenous,in-vitro FBAARO CCOCCn1c(N2CC[NH+](CC)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002533868 483400899 /nfs/dbraw/zinc/40/08/99/483400899.db2.gz UAPMHMSOCAWUER-UHFFFAOYSA-N 1 0 350.423 -0.398 50 0 FBAARO CC[NH+](CC)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000002757020 204055117 /nfs/dbraw/zinc/05/51/17/204055117.db2.gz UNPJCEJITCNLSK-UHFFFAOYSA-N 1 0 350.423 -0.718 50 0 FBAARO C[NH+](C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003217967 484969679 /nfs/dbraw/zinc/96/96/79/484969679.db2.gz CEXOYMFTNPMPLA-UHFFFAOYSA-N 1 0 371.459 -0.236 50 0 FBAARO COCCC[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000003283056 484972334 /nfs/dbraw/zinc/97/23/34/484972334.db2.gz MVEFTGWAQOQCQT-UHFFFAOYSA-N 1 0 360.414 -0.014 50 0 FBAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000003839141 204111326 /nfs/dbraw/zinc/11/13/26/204111326.db2.gz QFSMMXJBEBXTJP-UHFFFAOYSA-N 1 0 354.414 -0.108 50 0 in-vivo FBAARO OCC[NH+]1CCOCCOCCOCCOCCOCCOCC1 ZINC000003895806 483581020 /nfs/dbraw/zinc/58/10/20/483581020.db2.gz NWQYCKNSHCBKDQ-UHFFFAOYSA-N 1 0 351.440 -0.606 50 0 FBAARO COc1cc2[nH]c(=O)n(CCC(=O)NCC[NH+](C)C)c(=O)c2cc1OC ZINC000003906629 204115490 /nfs/dbraw/zinc/11/54/90/204115490.db2.gz VKMBSDGQCGGBGP-UHFFFAOYSA-N 1 0 364.402 -0.225 50 0 FBAARO Cn1c2nc(N3CC[NH2+]CC3)n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000004102868 483408600 /nfs/dbraw/zinc/40/86/00/483408600.db2.gz OIUPVAVGNZRYCN-UHFFFAOYSA-N 1 0 370.413 -0.088 50 0 FBAARO Cn1c2nc(N3CC[NH2+]CC3)n(C[C@H](O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000004454249 207019606 /nfs/dbraw/zinc/01/96/06/207019606.db2.gz AQTRKYXTZBTSHZ-ZDUSSCGKSA-N 1 0 370.413 -0.434 50 0 FBAARO Cn1c2nc(N3CC[NH2+]CC3)n(C[C@@H](O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000004454250 207019763 /nfs/dbraw/zinc/01/97/63/207019763.db2.gz AQTRKYXTZBTSHZ-CYBMUJFWSA-N 1 0 370.413 -0.434 50 0 FBAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCC(N)=O ZINC000004488481 483462699 /nfs/dbraw/zinc/46/26/99/483462699.db2.gz PJIPQRIURWWOIN-UHFFFAOYSA-N 1 0 352.420 -0.035 50 0 FBAARO NC(=O)[C@@H]([NH3+])CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000004899883 483412557 /nfs/dbraw/zinc/41/25/57/483412557.db2.gz BFTIPPVTTJTHLM-MNXVOIDGSA-N 1 0 371.507 -0.189 50 0 in-vitro FBAARO Cn1c(=O)c2c(nc(OCCC[NH+](C)C)n2Cc2ccccc2)n(N)c1=O ZINC000005286043 484133554 /nfs/dbraw/zinc/13/35/54/484133554.db2.gz HRFFWGHAKFDHBH-UHFFFAOYSA-N 1 0 372.429 -0.011 50 0 FBAARO Cn1cnc2c1c(=O)n(CC[N@H+](CCO)Cc1ccccc1)c(=O)n2C ZINC000005286118 483999561 /nfs/dbraw/zinc/99/95/61/483999561.db2.gz WDAGGLYXXGNHNH-UHFFFAOYSA-N 1 0 357.414 -0.072 50 0 FBAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005315135 484132933 /nfs/dbraw/zinc/13/29/33/484132933.db2.gz TUYZRXVAEZQUMA-UHFFFAOYSA-N 1 0 354.432 -0.157 50 0 FBAARO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005339538 207094251 /nfs/dbraw/zinc/09/42/51/207094251.db2.gz PFQKOIVACPEQGC-UHFFFAOYSA-N 1 0 354.432 -0.157 50 0 FBAARO [NH3+]CCNC(=O)c1nc(Cn2cc(I)cn2)no1 ZINC000006658040 204258655 /nfs/dbraw/zinc/25/86/55/204258655.db2.gz SISFSYTYCRELEI-UHFFFAOYSA-N 1 0 362.131 -0.393 50 0 FBAARO Cn1c2sc3c(c2c(=O)n(CC(=O)NCC[NH3+])c1=O)CC(C)(C)OC3 ZINC000006760455 207162558 /nfs/dbraw/zinc/16/25/58/207162558.db2.gz YXCLSOACDBTQPU-UHFFFAOYSA-N 1 0 366.443 -0.312 50 0 FBAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000006949197 484272476 /nfs/dbraw/zinc/27/24/76/484272476.db2.gz ZFKSTFSNUBWUNN-CYBMUJFWSA-N 1 0 354.476 -0.024 50 0 FBAARO CCN1CCN(C(=O)[C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000006949200 207181269 /nfs/dbraw/zinc/18/12/69/207181269.db2.gz ZFKSTFSNUBWUNN-ZDUSSCGKSA-N 1 0 354.476 -0.024 50 0 FBAARO NC(=O)C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000008394748 204329736 /nfs/dbraw/zinc/32/97/36/204329736.db2.gz XRTWAVCVLZSPPB-UHFFFAOYSA-N 1 0 368.459 -0.810 50 0 FBAARO Cc1cn2c3c(nc2n1CCO)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000008992709 204351401 /nfs/dbraw/zinc/35/14/01/204351401.db2.gz VYKJIQQQQLTYKY-UHFFFAOYSA-N 1 0 374.445 -0.064 50 0 FBAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCC(C(N)=O)CC1 ZINC000009059747 485110878 /nfs/dbraw/zinc/11/08/78/485110878.db2.gz KNDNZAYTSDABOL-UHFFFAOYSA-N 1 0 373.417 -0.818 50 0 FBAARO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)NCC[NH+](C)C ZINC000009134797 207258762 /nfs/dbraw/zinc/25/87/62/207258762.db2.gz NFFFXDBTRDDCRA-UHFFFAOYSA-N 1 0 356.404 -0.442 50 0 FBAARO CC1(C)Cc2c(sc3[nH]c(=O)n(CC(=O)NCC[NH3+])c(=O)c23)CO1 ZINC000009167000 219875692 /nfs/dbraw/zinc/87/56/92/219875692.db2.gz TZOLXEQJKCLZRY-UHFFFAOYSA-N 1 0 352.416 -0.323 50 0 FBAARO COCCN1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000011813275 660445715 /nfs/dbraw/zinc/44/57/15/660445715.db2.gz XOJGPPUMXINCJD-MRXNPFEDSA-N 1 0 352.479 -0.090 50 0 FBAARO COCCN1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000011813278 660445726 /nfs/dbraw/zinc/44/57/26/660445726.db2.gz XOJGPPUMXINCJD-INIZCTEOSA-N 1 0 352.479 -0.090 50 0 FBAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CCCCO)CC2)CCC1=O ZINC000011839360 483450633 /nfs/dbraw/zinc/45/06/33/483450633.db2.gz KUDYCFHTMRRFMJ-INIZCTEOSA-N 1 0 354.495 -0.297 50 0 FBAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CCCCO)CC2)CCC1=O ZINC000011839361 483451290 /nfs/dbraw/zinc/45/12/90/483451290.db2.gz KUDYCFHTMRRFMJ-MRXNPFEDSA-N 1 0 354.495 -0.297 50 0 FBAARO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998367 206287089 /nfs/dbraw/zinc/28/70/89/206287089.db2.gz RMQWBRQFVKQFJL-UHFFFAOYSA-N 1 0 361.445 -0.407 50 0 FBAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O ZINC000012914277 484516113 /nfs/dbraw/zinc/51/61/13/484516113.db2.gz FIJSPULSOUQARS-UHFFFAOYSA-N 1 0 359.434 -0.428 50 0 FBAARO CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012943854 211010543 /nfs/dbraw/zinc/01/05/43/211010543.db2.gz WSYYSIVNMCXHRU-GFCCVEGCSA-N 1 0 358.464 -0.531 50 0 FBAARO CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000012943861 220045032 /nfs/dbraw/zinc/04/50/32/220045032.db2.gz WSYYSIVNMCXHRU-LBPRGKRZSA-N 1 0 358.464 -0.531 50 0 FBAARO Cc1cccc(OC[C@H](O)CN2C(=[NH2+])N[C@H]3[C@H]2C(=O)N(C)C(=O)N3C)c1 ZINC000013576400 207469573 /nfs/dbraw/zinc/46/95/73/207469573.db2.gz HAEMYHGIGQVDSS-KWCYVHTRSA-N 1 0 361.402 -0.207 50 0 FBAARO C[NH+](C)CCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013675819 483463073 /nfs/dbraw/zinc/46/30/73/483463073.db2.gz XUWMQXDFMHONQQ-UHFFFAOYSA-N 1 0 357.432 -0.098 50 0 FBAARO COc1ccccc1C(=O)N1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014530635 211095338 /nfs/dbraw/zinc/09/53/38/211095338.db2.gz JYNXKYWDYQGVJA-LSDHHAIUSA-N 1 0 374.441 -0.024 50 0 FBAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014746231 204588087 /nfs/dbraw/zinc/58/80/87/204588087.db2.gz ZSKJUOGWXLKDKA-UHFFFAOYSA-N 1 0 362.434 -0.167 50 0 FBAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014747237 483470163 /nfs/dbraw/zinc/47/01/63/483470163.db2.gz WYLQYULREMXGFH-UHFFFAOYSA-N 1 0 362.434 -0.167 50 0 FBAARO COCC[N@@H+]1CCc2nc3sc(SCC(N)=O)nn3c(=O)c2C1 ZINC000015414185 483475362 /nfs/dbraw/zinc/47/53/62/483475362.db2.gz VZZSKYLIAKZCTQ-UHFFFAOYSA-N 1 0 355.445 -0.267 50 0 FBAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCC(N)=O ZINC000016196144 483478836 /nfs/dbraw/zinc/47/88/36/483478836.db2.gz JSSOBFALOPVBKP-UHFFFAOYSA-N 1 0 364.362 -0.956 50 0 FBAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220649 211205469 /nfs/dbraw/zinc/20/54/69/211205469.db2.gz SOUAQVHQMWTMFZ-OAHLLOKOSA-N 1 0 365.482 -0.162 50 0 FBAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220654 211206236 /nfs/dbraw/zinc/20/62/36/211206236.db2.gz SOUAQVHQMWTMFZ-HNNXBMFYSA-N 1 0 365.482 -0.162 50 0 FBAARO CCN(CC[NH+](CC)CC)C(=O)Cn1nnnc1CN1CCOCC1 ZINC000019225343 211207237 /nfs/dbraw/zinc/20/72/37/211207237.db2.gz FVAOJRPHFGYNAX-UHFFFAOYSA-N 1 0 353.471 -0.304 50 0 FBAARO COC(=O)C(=CC(C=C(C(=O)OC)C(=O)OC)=C[NH+](C)C)C(=O)OC ZINC000019338291 211216484 /nfs/dbraw/zinc/21/64/84/211216484.db2.gz PFWQCKXHCDZAHJ-UHFFFAOYSA-N 1 0 355.343 -0.023 50 0 FBAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000019368234 484056146 /nfs/dbraw/zinc/05/61/46/484056146.db2.gz RTSCDXUIFPYRBY-UHFFFAOYSA-N 1 0 370.475 -0.290 50 0 FBAARO O=C1c2ccccc2C(=O)N1CCn1ncc(N2CC[NH2+]CC2)cc1=O ZINC000019757142 483488760 /nfs/dbraw/zinc/48/87/60/483488760.db2.gz CRVBTXRMYZLCKY-UHFFFAOYSA-N 1 0 353.382 -0.051 50 0 FBAARO OCCN1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771055 483488003 /nfs/dbraw/zinc/48/80/03/483488003.db2.gz KXOIZCPBGCKCLU-HZPDHXFCSA-N 1 0 352.431 -0.186 50 0 FBAARO OCCN1CC[NH+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771056 483488881 /nfs/dbraw/zinc/48/88/81/483488881.db2.gz KXOIZCPBGCKCLU-JKSUJKDBSA-N 1 0 352.431 -0.186 50 0 FBAARO OCCN1CC[NH+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771057 483488402 /nfs/dbraw/zinc/48/84/02/483488402.db2.gz KXOIZCPBGCKCLU-CVEARBPZSA-N 1 0 352.431 -0.186 50 0 FBAARO OCCN1CC[NH+](C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771058 483489102 /nfs/dbraw/zinc/48/91/02/483489102.db2.gz KXOIZCPBGCKCLU-HOTGVXAUSA-N 1 0 352.431 -0.186 50 0 FBAARO CC[NH+]1CCN(Cc2c(C(=O)OC(C)C)nnn2-c2nonc2N)CC1 ZINC000019831000 483488466 /nfs/dbraw/zinc/48/84/66/483488466.db2.gz NBJMWEPKXGBUML-UHFFFAOYSA-N 1 0 364.410 -0.065 50 0 FBAARO CCN(CCN(CC)CC(N)=O)CC[N@H+](CC)CCN(CC)CC(N)=O ZINC000019898991 483488920 /nfs/dbraw/zinc/48/89/20/483488920.db2.gz YWMZCDYLTJCEJT-UHFFFAOYSA-N 1 0 372.558 -0.755 50 0 FBAARO CCOCCn1c(CN2CC[NH+](CC)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020026499 483488353 /nfs/dbraw/zinc/48/83/53/483488353.db2.gz BUZSDTKFOVMTKG-UHFFFAOYSA-N 1 0 364.450 -0.403 50 0 FBAARO CCOC(=O)c1nnn(-c2nonc2N)c1CN1CC[NH+](CC)CC1 ZINC000020059551 483490458 /nfs/dbraw/zinc/49/04/58/483490458.db2.gz XFLMPOGSLIWARI-UHFFFAOYSA-N 1 0 350.383 -0.453 50 0 FBAARO CC[NH+]1CCN(CCn2c(C)cn3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062051 483489962 /nfs/dbraw/zinc/48/99/62/483489962.db2.gz DAXIIRVCXORNGT-UHFFFAOYSA-N 1 0 359.434 -0.378 50 0 FBAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](C)CC1 ZINC000020062063 220310478 /nfs/dbraw/zinc/31/04/78/220310478.db2.gz LZEXLURPNGGLGS-UHFFFAOYSA-N 1 0 359.434 -0.460 50 0 FBAARO CC[NH+]1CCN(CCn2c(C)c(C)n3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062065 220310545 /nfs/dbraw/zinc/31/05/45/220310545.db2.gz GJPHSANXQWQUNP-UHFFFAOYSA-N 1 0 373.461 -0.070 50 0 FBAARO CC[C@@H](NC(=O)Cn1ncc(N2CC[NH+](C)CC2)cc1=O)c1cnn(C)c1 ZINC000020149357 483489983 /nfs/dbraw/zinc/48/99/83/483489983.db2.gz KMZZWQFYRSTGGE-MRXNPFEDSA-N 1 0 373.461 -0.004 50 0 FBAARO CC[C@H](NC(=O)Cn1ncc(N2CC[NH+](C)CC2)cc1=O)c1cnn(C)c1 ZINC000020149358 483490142 /nfs/dbraw/zinc/49/01/42/483490142.db2.gz KMZZWQFYRSTGGE-INIZCTEOSA-N 1 0 373.461 -0.004 50 0 FBAARO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[NH+]1CCOCC1 ZINC000020312358 220320849 /nfs/dbraw/zinc/32/08/49/220320849.db2.gz WXCDBXRZZFYIIU-UHFFFAOYSA-N 1 0 360.418 -0.283 50 0 FBAARO CCn1cc(NC(=O)Cn2ncc(N3CCC[N@H+](C)CC3)cc2=O)nn1 ZINC000020541819 523416944 /nfs/dbraw/zinc/41/69/44/523416944.db2.gz PIGSVDZALQFIOT-UHFFFAOYSA-N 1 0 360.422 -0.365 50 0 FBAARO CC1=C(C(=O)NCC[NH+](C)C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020581614 484854507 /nfs/dbraw/zinc/85/45/07/484854507.db2.gz IDYQZCXCDRMXJL-UHFFFAOYSA-N 1 0 359.448 -0.668 50 0 FBAARO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000020646668 220337541 /nfs/dbraw/zinc/33/75/41/220337541.db2.gz WEIMNBSKLPQJTR-UHFFFAOYSA-N 1 0 368.415 -0.345 50 0 FBAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCN1CC[NH+](C)CC1 ZINC000020647667 483491610 /nfs/dbraw/zinc/49/16/10/483491610.db2.gz ZFQAOXNIBGNCOV-UHFFFAOYSA-N 1 0 373.461 -0.449 50 0 FBAARO CCS(=O)(=O)N1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000020688089 521661648 /nfs/dbraw/zinc/66/16/48/521661648.db2.gz CALQKPJVEXVZFV-UHFFFAOYSA-N 1 0 360.524 -0.198 50 0 FBAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCN(C)CC1 ZINC000020714109 220338956 /nfs/dbraw/zinc/33/89/56/220338956.db2.gz FYOYDWNBVBAJLF-UHFFFAOYSA-N 1 0 373.461 -0.070 50 0 FBAARO CC[NH+]1CCN(c2ncc(C(=O)NCCN3CCOCC3)c(C)n2)CC1 ZINC000021638465 483493642 /nfs/dbraw/zinc/49/36/42/483493642.db2.gz DUNCPDNGKUPIGK-UHFFFAOYSA-N 1 0 362.478 -0.011 50 0 FBAARO Cn1ncc2c1nc(N1CCN(CCO)CC1)nc2N1CC[NH+](C)CC1 ZINC000021929755 484870513 /nfs/dbraw/zinc/87/05/13/484870513.db2.gz SWOAUKCPONXHRO-UHFFFAOYSA-N 1 0 360.466 -0.771 50 0 FBAARO CC[NH+]1CCN(c2nc(N3CCN(CCO)CC3)nc3c2cnn3C)CC1 ZINC000021930039 484871180 /nfs/dbraw/zinc/87/11/80/484871180.db2.gz OQFDEKSADNQBCB-UHFFFAOYSA-N 1 0 374.493 -0.381 50 0 FBAARO COCCNC(=O)C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766180 206393524 /nfs/dbraw/zinc/39/35/24/206393524.db2.gz FIMWBVDVCVGKIL-CQSZACIVSA-N 1 0 354.476 -0.085 50 0 FBAARO COCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766183 220396739 /nfs/dbraw/zinc/39/67/39/220396739.db2.gz FIMWBVDVCVGKIL-AWEZNQCLSA-N 1 0 354.476 -0.085 50 0 FBAARO COCCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795747 220399006 /nfs/dbraw/zinc/39/90/06/220399006.db2.gz LBRYUOHYXGOQBH-INIZCTEOSA-N 1 0 366.437 -0.007 50 0 FBAARO COCCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795757 220398316 /nfs/dbraw/zinc/39/83/16/220398316.db2.gz LBRYUOHYXGOQBH-MRXNPFEDSA-N 1 0 366.437 -0.007 50 0 FBAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCOC)CC1 ZINC000022909994 483495918 /nfs/dbraw/zinc/49/59/18/483495918.db2.gz VJPYWGVWCPVAAF-UHFFFAOYSA-N 1 0 364.450 -0.782 50 0 FBAARO CCOCCn1c(CN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022920372 483496184 /nfs/dbraw/zinc/49/61/84/483496184.db2.gz NNWDXFNELDPXFB-UHFFFAOYSA-N 1 0 364.450 -0.782 50 0 FBAARO C[C@H](C(=O)N1CCNC1=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000022930153 483495943 /nfs/dbraw/zinc/49/59/43/483495943.db2.gz RLCMAMMRUCLHFE-CQSZACIVSA-N 1 0 351.451 -0.443 50 0 FBAARO C[C@@H](C(=O)N1CCNC1=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000022930156 483495806 /nfs/dbraw/zinc/49/58/06/483495806.db2.gz RLCMAMMRUCLHFE-AWEZNQCLSA-N 1 0 351.451 -0.443 50 0 FBAARO C[NH+]1CCN(CCCNC(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000022937520 483472926 /nfs/dbraw/zinc/47/29/26/483472926.db2.gz DAACPZLUYUHZSA-UHFFFAOYSA-N 1 0 351.451 -0.126 50 0 FBAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCOC)c2cccnc2)CC1 ZINC000023203158 483763077 /nfs/dbraw/zinc/76/30/77/483763077.db2.gz FEMHBOFKQLDKOA-INIZCTEOSA-N 1 0 363.462 -0.361 50 0 FBAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCCOC)c2cccnc2)CC1 ZINC000023203160 483762964 /nfs/dbraw/zinc/76/29/64/483762964.db2.gz FEMHBOFKQLDKOA-MRXNPFEDSA-N 1 0 363.462 -0.361 50 0 FBAARO CN(CC[NH+]1CCCCC1)C(=O)Cn1nnnc1CN1CCOCC1 ZINC000023338595 483497217 /nfs/dbraw/zinc/49/72/17/483497217.db2.gz QPPJQMVZCYDHNI-UHFFFAOYSA-N 1 0 351.455 -0.550 50 0 FBAARO CCOC(=O)C1=C(CN2CCC[N@H+](CC(=O)N(C)C)CC2)NC(=O)NC1 ZINC000024677430 483499744 /nfs/dbraw/zinc/49/97/44/483499744.db2.gz JUTKREWTIRACLQ-UHFFFAOYSA-N 1 0 367.450 -0.788 50 0 FBAARO CC(=O)O[C@H]1O[C@@H](CSC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1[NH3+] ZINC000025629020 484533741 /nfs/dbraw/zinc/53/37/41/484533741.db2.gz PRNRATAOSWNEQF-PEDHHIEDSA-N 1 0 363.388 -0.255 50 0 FBAARO CC(=O)O[C@H]1O[C@H](CSC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1[NH3+] ZINC000025629028 210161876 /nfs/dbraw/zinc/16/18/76/210161876.db2.gz PRNRATAOSWNEQF-QMVSFRDZSA-N 1 0 363.388 -0.255 50 0 FBAARO CC(=O)O[C@H]1O[C@@H](CSC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1[NH3+] ZINC000025629035 484468853 /nfs/dbraw/zinc/46/88/53/484468853.db2.gz PRNRATAOSWNEQF-NDKCEZKHSA-N 1 0 363.388 -0.255 50 0 FBAARO CC(=O)O[C@H]1O[C@H](CSC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1[NH3+] ZINC000025629044 484469003 /nfs/dbraw/zinc/46/90/03/484469003.db2.gz PRNRATAOSWNEQF-DGTMBMJNSA-N 1 0 363.388 -0.255 50 0 FBAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCOCC1 ZINC000029483927 483508960 /nfs/dbraw/zinc/50/89/60/483508960.db2.gz NDJJOFCSGGFYEF-UHFFFAOYSA-N 1 0 357.432 -0.205 50 0 FBAARO Cn1cnc2c1c(=O)n(CCCSc1nc(N)cc(N)[nH+]1)c(=O)n2C ZINC000031819393 485000572 /nfs/dbraw/zinc/00/05/72/485000572.db2.gz IWQFLIKRSHRKRP-UHFFFAOYSA-N 1 0 362.419 -0.430 50 0 FBAARO CS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1N1CC[NH2+]CC1 ZINC000033033144 483664059 /nfs/dbraw/zinc/66/40/59/483664059.db2.gz OXAHALDRKKUOLR-UHFFFAOYSA-N 1 0 368.459 -0.060 50 0 FBAARO [NH3+]CCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000034505675 483576739 /nfs/dbraw/zinc/57/67/39/483576739.db2.gz LWISPDYGRSGXME-YDHLFZDLSA-N 1 0 374.507 -0.180 50 0 FBAARO COC(=O)C(=O)[C@@H](C(=O)OC)[C@@H]1c2ccccc2C=NN1C1=[NH+]CCN1 ZINC000039095137 485064410 /nfs/dbraw/zinc/06/44/10/485064410.db2.gz JTRDXUWAKNKSHZ-STQMWFEESA-N 1 0 358.354 -0.132 50 0 FBAARO COC(=O)C(=O)[C@@H](C(=O)OC)[C@H]1c2ccccc2C=NN1C1=[NH+]CCN1 ZINC000039095139 485064234 /nfs/dbraw/zinc/06/42/34/485064234.db2.gz JTRDXUWAKNKSHZ-QWHCGFSZSA-N 1 0 358.354 -0.132 50 0 FBAARO COC(=O)C(=O)[C@H](C(=O)OC)[C@@H]1c2ccccc2C=NN1C1=[NH+]CCN1 ZINC000039932892 485096565 /nfs/dbraw/zinc/09/65/65/485096565.db2.gz JTRDXUWAKNKSHZ-OLZOCXBDSA-N 1 0 358.354 -0.132 50 0 FBAARO COC(=O)C(=O)[C@H](C(=O)OC)[C@H]1c2ccccc2C=NN1C1=[NH+]CCN1 ZINC000039932893 485096041 /nfs/dbraw/zinc/09/60/41/485096041.db2.gz JTRDXUWAKNKSHZ-CHWSQXEVSA-N 1 0 358.354 -0.132 50 0 FBAARO C[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000040283791 208245080 /nfs/dbraw/zinc/24/50/80/208245080.db2.gz TYRNVDBZKURNTB-UHFFFAOYSA-N 1 0 354.432 -0.109 50 0 FBAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000041318794 483610346 /nfs/dbraw/zinc/61/03/46/483610346.db2.gz SEKMJTYLAOBZFA-UHFFFAOYSA-N 1 0 354.476 -0.086 50 0 FBAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893943 208319540 /nfs/dbraw/zinc/31/95/40/208319540.db2.gz XJWNPHADFIUJDU-GFCCVEGCSA-N 1 0 351.407 -0.315 50 0 FBAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893946 208320566 /nfs/dbraw/zinc/32/05/66/208320566.db2.gz XJWNPHADFIUJDU-LBPRGKRZSA-N 1 0 351.407 -0.315 50 0 FBAARO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000048264906 205154835 /nfs/dbraw/zinc/15/48/35/205154835.db2.gz HPLYYHZDADDTFE-UHFFFAOYSA-N 1 0 356.448 -0.140 50 0 FBAARO O=C(CN1CCN(CCO)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000048301523 208398067 /nfs/dbraw/zinc/39/80/67/208398067.db2.gz JKTABVICAXLWAS-UHFFFAOYSA-N 1 0 368.522 -0.252 50 0 FBAARO COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)C[NH+]1CCCCC1 ZINC000048546242 483760692 /nfs/dbraw/zinc/76/06/92/483760692.db2.gz CWYGPZZTPINOEJ-GFCCVEGCSA-N 1 0 365.434 -0.573 50 0 FBAARO COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)C[NH+]1CCCCC1 ZINC000048546245 483760381 /nfs/dbraw/zinc/76/03/81/483760381.db2.gz CWYGPZZTPINOEJ-LBPRGKRZSA-N 1 0 365.434 -0.573 50 0 FBAARO COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)C[NH2+]C(C)(C)C ZINC000048546261 484408549 /nfs/dbraw/zinc/40/85/49/484408549.db2.gz NKPFZFSTEJPNQH-JTQLQIEISA-N 1 0 353.423 -0.671 50 0 FBAARO COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)C[NH2+]C(C)(C)C ZINC000048546264 484408783 /nfs/dbraw/zinc/40/87/83/484408783.db2.gz NKPFZFSTEJPNQH-SNVBAGLBSA-N 1 0 353.423 -0.671 50 0 FBAARO Cn1c2nc(CO)n(C[C@H](O)C[NH2+]C3CCCCC3)c2c(=O)n(C)c1=O ZINC000048546346 484408959 /nfs/dbraw/zinc/40/89/59/484408959.db2.gz JPAJMJAMUJEERZ-GFCCVEGCSA-N 1 0 365.434 -0.791 50 0 FBAARO Cn1c2nc(CO)n(C[C@@H](O)C[NH2+]C3CCCCC3)c2c(=O)n(C)c1=O ZINC000048546349 484408134 /nfs/dbraw/zinc/40/81/34/484408134.db2.gz JPAJMJAMUJEERZ-LBPRGKRZSA-N 1 0 365.434 -0.791 50 0 FBAARO CN1c2ccccc2[C@H](NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)C1=O ZINC000049545823 221024618 /nfs/dbraw/zinc/02/46/18/221024618.db2.gz IMXZXBNPQHUOBF-INIZCTEOSA-N 1 0 373.457 -0.426 50 0 FBAARO O=C(C[NH+]1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000051093622 662326042 /nfs/dbraw/zinc/32/60/42/662326042.db2.gz CFDUHKDHCYMQMD-UHFFFAOYSA-N 1 0 374.507 -0.416 50 0 FBAARO CS(=O)(=O)NCC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055036143 483670790 /nfs/dbraw/zinc/67/07/90/483670790.db2.gz FILZVCDGXSVDEA-UHFFFAOYSA-N 1 0 371.459 -0.437 50 0 FBAARO Cc1nn2cc(CCNC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)nc2s1 ZINC000055052642 205204744 /nfs/dbraw/zinc/20/47/44/205204744.db2.gz MBPDYMUXIOJQDY-LLVKDONJSA-N 1 0 350.448 -0.045 50 0 FBAARO COc1cccc(CN[C@@H]2C[NH2+]C[C@H]2O)c1OCCN1CCOCC1 ZINC000055308736 662368254 /nfs/dbraw/zinc/36/82/54/662368254.db2.gz NBFBIYMDYFEJAM-HZPDHXFCSA-N 1 0 351.447 -0.172 50 0 FBAARO Cc1cccc(OC[C@H](O)CN2C(=[NH2+])N[C@@H]3[C@@H]2C(=O)N(C)C(=O)N3C)c1 ZINC000057105412 208499816 /nfs/dbraw/zinc/49/98/16/208499816.db2.gz HAEMYHGIGQVDSS-BNOWGMLFSA-N 1 0 361.402 -0.207 50 0 FBAARO Cc1cccc(OC[C@H](O)CN2C(=[NH2+])N[C@@H]3[C@H]2C(=O)N(C)C(=O)N3C)c1 ZINC000057105415 484951637 /nfs/dbraw/zinc/95/16/37/484951637.db2.gz HAEMYHGIGQVDSS-XBFCOCLRSA-N 1 0 361.402 -0.207 50 0 FBAARO CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000057122068 136128332 /nfs/dbraw/zinc/12/83/32/136128332.db2.gz QETGJPFRLXXLAO-AWEZNQCLSA-N 1 0 357.414 -0.018 50 0 FBAARO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000058183434 205255626 /nfs/dbraw/zinc/25/56/26/205255626.db2.gz BFDLXAINYSHEIP-UHFFFAOYSA-N 1 0 358.464 -0.423 50 0 FBAARO C[NH+](C)CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000058195719 483683486 /nfs/dbraw/zinc/68/34/86/483683486.db2.gz LYXBYKVDRIBADG-UHFFFAOYSA-N 1 0 361.490 -0.402 50 0 FBAARO NC(=O)C(NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000058377131 484988574 /nfs/dbraw/zinc/98/85/74/484988574.db2.gz ANJLKNJTUYZZDX-UHFFFAOYSA-N 1 0 353.448 -0.402 50 0 FBAARO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cn2)CC1 ZINC000061647098 484059394 /nfs/dbraw/zinc/05/93/94/484059394.db2.gz ADZAJELNETXJHZ-CQSZACIVSA-N 1 0 374.445 -0.172 50 0 FBAARO C[NH+](C)CCNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn21 ZINC000064836454 483967284 /nfs/dbraw/zinc/96/72/84/483967284.db2.gz MVQSXKZYFVURAO-UHFFFAOYSA-N 1 0 352.420 -0.721 50 0 FBAARO C[NH+](C)CCNC(=O)CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888518 212048019 /nfs/dbraw/zinc/04/80/19/212048019.db2.gz GLILXSMPCRULDP-UHFFFAOYSA-N 1 0 350.394 -0.326 50 0 FBAARO Cn1c2sc(C(=O)NCCN3CC[NH+](C)CC3)cc2c(=O)n(C)c1=O ZINC000064950471 221157185 /nfs/dbraw/zinc/15/71/85/221157185.db2.gz NXIUJYUAFGUVLS-UHFFFAOYSA-N 1 0 365.459 -0.724 50 0 FBAARO Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065364832 483703259 /nfs/dbraw/zinc/70/32/59/483703259.db2.gz VEPJLZJVLLDQIY-UHFFFAOYSA-N 1 0 370.479 -0.450 50 0 FBAARO CNc1ncc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(=O)C2CC2)C3)cn1 ZINC000065366283 483703525 /nfs/dbraw/zinc/70/35/25/483703525.db2.gz NTLLVMMJRKMDNR-RDTXWAMCSA-N 1 0 358.446 -0.065 50 0 FBAARO O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[nH]c1=O ZINC000065373199 221205677 /nfs/dbraw/zinc/20/56/77/221205677.db2.gz IWXQGABANXHJGS-ZJUUUORDSA-N 1 0 350.400 -0.269 50 0 FBAARO O=C(CCC[NH+]1Cc2ccccc2C1)N1CCN2C(=O)CNC(=O)[C@@H]2C1 ZINC000065374243 483704247 /nfs/dbraw/zinc/70/42/47/483704247.db2.gz YDLNQOTUFWBZGC-INIZCTEOSA-N 1 0 356.426 -0.048 50 0 FBAARO O=C(CCC[NH+]1Cc2ccccc2C1)N1CCN2C(=O)CNC(=O)[C@H]2C1 ZINC000065374244 483704217 /nfs/dbraw/zinc/70/42/17/483704217.db2.gz YDLNQOTUFWBZGC-MRXNPFEDSA-N 1 0 356.426 -0.048 50 0 FBAARO O=C(NCCCN1CCOCC1)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)C1CC1)C2 ZINC000065381214 221206559 /nfs/dbraw/zinc/20/65/59/221206559.db2.gz AGTYCJRXCBRCEW-CRAIPNDOSA-N 1 0 350.463 -0.717 50 0 FBAARO COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCn3nc(C)cc3C2)C1 ZINC000065387250 205342750 /nfs/dbraw/zinc/34/27/50/205342750.db2.gz QXCURLPOBVOIHE-RDTXWAMCSA-N 1 0 361.446 -0.382 50 0 FBAARO CCn1c(CC2CC[NH2+]CC2)nn(CCCS(=O)(=O)N(C)C)c1=O ZINC000065388095 839241115 /nfs/dbraw/zinc/24/11/15/839241115.db2.gz XVXCZHGSLKLNRT-UHFFFAOYSA-N 1 0 359.496 -0.112 50 0 FBAARO CCCN(Cc1nccn1C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065393701 221210013 /nfs/dbraw/zinc/21/00/13/221210013.db2.gz AYNRYSKOJFVSLF-CZUORRHYSA-N 1 0 369.491 -0.360 50 0 FBAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000065394067 210099593 /nfs/dbraw/zinc/09/95/93/210099593.db2.gz CPOHNXOVIYYCRY-MNOVXSKESA-N 1 0 355.416 -0.297 50 0 FBAARO CCn1nc(C)c(NC(=O)C[NH2+]C[C@@H]2CN(S(C)(=O)=O)CCO2)c1C ZINC000065394102 221210114 /nfs/dbraw/zinc/21/01/14/221210114.db2.gz BKSKMBAEJOMUDN-CYBMUJFWSA-N 1 0 373.479 -0.292 50 0 FBAARO CCn1nc(C)c(NC(=O)C[NH2+]C[C@H]2CN(S(C)(=O)=O)CCO2)c1C ZINC000065394103 205345041 /nfs/dbraw/zinc/34/50/41/205345041.db2.gz BKSKMBAEJOMUDN-ZDUSSCGKSA-N 1 0 373.479 -0.292 50 0 FBAARO CS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCOc2ccccc2)C1 ZINC000065398975 205347332 /nfs/dbraw/zinc/34/73/32/205347332.db2.gz VGRPRNYTFPIXJV-CZUORRHYSA-N 1 0 353.444 -0.337 50 0 FBAARO CN(CCC1CCOCC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065404611 483704265 /nfs/dbraw/zinc/70/42/65/483704265.db2.gz KFWZKMVEPZLRFK-GDBMZVCRSA-N 1 0 359.492 -0.258 50 0 FBAARO CS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000065404720 221213843 /nfs/dbraw/zinc/21/38/43/221213843.db2.gz SEIDMFVETHWEMG-NVXWUHKLSA-N 1 0 351.472 -0.131 50 0 FBAARO CC(C)(CN1CCOCC1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ncccn1)C2 ZINC000065417121 221215958 /nfs/dbraw/zinc/21/59/58/221215958.db2.gz XYDRQKNQPJNLHC-DNVCBOLYSA-N 1 0 374.489 -0.271 50 0 FBAARO CN1CCN(C(=O)c2ccnc(N3CCN4CC[N@H+](C)C[C@@H]4C3)c2)CC1 ZINC000065417272 136136294 /nfs/dbraw/zinc/13/62/94/136136294.db2.gz ZRTRURGBNVTYTK-QGZVFWFLSA-N 1 0 358.490 -0.095 50 0 FBAARO CS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000065423038 205350108 /nfs/dbraw/zinc/35/01/08/205350108.db2.gz VUGKODPMKZUCMM-MLGOLLRUSA-N 1 0 367.427 -0.488 50 0 FBAARO CCNC(=O)N1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(C)=O)C3)CC1 ZINC000065454133 205351574 /nfs/dbraw/zinc/35/15/74/205351574.db2.gz XTINBROXBVTRHM-CXAGYDPISA-N 1 0 351.451 -0.636 50 0 FBAARO CCn1c(CC2CC[NH2+]CC2)nn(CC(=O)NC[C@@H]2CCCO2)c1=O ZINC000065455348 208682267 /nfs/dbraw/zinc/68/22/67/208682267.db2.gz HEHPOROHEOSUSY-AWEZNQCLSA-N 1 0 351.451 -0.098 50 0 FBAARO CCn1c(CC2CC[NH2+]CC2)nn(CC(=O)NC[C@H]2CCCO2)c1=O ZINC000065455350 205352760 /nfs/dbraw/zinc/35/27/60/205352760.db2.gz HEHPOROHEOSUSY-CQSZACIVSA-N 1 0 351.451 -0.098 50 0 FBAARO CCc1csc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(S(C)(=O)=O)C3)n1 ZINC000065460887 221222143 /nfs/dbraw/zinc/22/21/43/221222143.db2.gz FCQGRYDQUGKXAE-QMTHXVAHSA-N 1 0 358.489 -0.197 50 0 FBAARO CS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCNc2cccnc2)C1 ZINC000065462658 839250572 /nfs/dbraw/zinc/25/05/72/839250572.db2.gz PKVRUOVTJSWZKQ-IUODEOHRSA-N 1 0 353.448 -0.909 50 0 FBAARO Cc1cc(S(=O)(=O)NCC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)ccc1F ZINC000065464293 221222679 /nfs/dbraw/zinc/22/26/79/221222679.db2.gz LBLOHMSFGQIPPJ-OLZOCXBDSA-N 1 0 373.450 -0.064 50 0 FBAARO COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCOC3(CCCC3)C2)C1 ZINC000065464504 221223046 /nfs/dbraw/zinc/22/30/46/221223046.db2.gz WFLYCNDZWQADIP-RDTXWAMCSA-N 1 0 351.447 -0.148 50 0 FBAARO CCc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(S(C)(=O)=O)C3)nc1 ZINC000065465737 221222736 /nfs/dbraw/zinc/22/27/36/221222736.db2.gz KXLJUKCNXVKIBQ-CZUORRHYSA-N 1 0 352.460 -0.259 50 0 FBAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc[nH]c1=O)C2 ZINC000065490045 483704787 /nfs/dbraw/zinc/70/47/87/483704787.db2.gz UTNZHGKJTZFARH-UHFFFAOYSA-N 1 0 358.402 -0.069 50 0 FBAARO COCC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000065493915 221225712 /nfs/dbraw/zinc/22/57/12/221225712.db2.gz OWTWCDNSKOQENG-CQSZACIVSA-N 1 0 354.451 -0.896 50 0 FBAARO COCC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000065493918 483704450 /nfs/dbraw/zinc/70/44/50/483704450.db2.gz OWTWCDNSKOQENG-AWEZNQCLSA-N 1 0 354.451 -0.896 50 0 FBAARO CS(=O)(=O)N1CCO[C@H](C[NH2+]CC(=O)NCc2ccccc2F)C1 ZINC000065496053 205354689 /nfs/dbraw/zinc/35/46/89/205354689.db2.gz OENKTJPKIBVNRB-CYBMUJFWSA-N 1 0 359.423 -0.308 50 0 FBAARO CS(=O)(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCc2ccccc2F)C1 ZINC000065496058 205355747 /nfs/dbraw/zinc/35/57/47/205355747.db2.gz OENKTJPKIBVNRB-ZDUSSCGKSA-N 1 0 359.423 -0.308 50 0 FBAARO CC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCC(=O)Nc2nccs2)C1 ZINC000065499140 208684381 /nfs/dbraw/zinc/68/43/81/208684381.db2.gz JVHIFFPTDKOXBE-IAQYHMDHSA-N 1 0 351.432 -0.344 50 0 FBAARO CN1CSC[C@H]1C(=O)N1CCn2nc(C(=O)NCC[NH+](C)C)cc2C1 ZINC000065500145 221227012 /nfs/dbraw/zinc/22/70/12/221227012.db2.gz RJTZBTALSGWSGK-AWEZNQCLSA-N 1 0 366.491 -0.479 50 0 FBAARO Cn1c(CO)nnc1CC1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000065500875 841771294 /nfs/dbraw/zinc/77/12/94/841771294.db2.gz KCIQPVYVCJOVFE-UHFFFAOYSA-N 1 0 371.507 -0.014 50 0 FBAARO Cc1cc(C)n(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)c(=O)n1 ZINC000065501046 483704757 /nfs/dbraw/zinc/70/47/57/483704757.db2.gz WTMBTTQEEYXNRA-CQSZACIVSA-N 1 0 359.434 -0.119 50 0 FBAARO Cc1cc(C)n(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)c(=O)n1 ZINC000065501051 221226751 /nfs/dbraw/zinc/22/67/51/221226751.db2.gz WTMBTTQEEYXNRA-AWEZNQCLSA-N 1 0 359.434 -0.119 50 0 FBAARO C[NH+]1CCN(c2ccc(C(=O)N3CCN4CCNC(=O)[C@@H]4C3)cc2)CC1 ZINC000065508207 221228747 /nfs/dbraw/zinc/22/87/47/221228747.db2.gz ZXDFQDVUMHLCBP-KRWDZBQOSA-N 1 0 357.458 -0.305 50 0 FBAARO C[NH+]1CCN(c2ccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)cc2)CC1 ZINC000065508209 205356938 /nfs/dbraw/zinc/35/69/38/205356938.db2.gz ZXDFQDVUMHLCBP-QGZVFWFLSA-N 1 0 357.458 -0.305 50 0 FBAARO CN(CCCn1cccn1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065528058 221231007 /nfs/dbraw/zinc/23/10/07/221231007.db2.gz FOAOWFBCTMLYEA-UKRRQHHQSA-N 1 0 355.464 -0.787 50 0 FBAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000067447309 221253801 /nfs/dbraw/zinc/25/38/01/221253801.db2.gz MHGWISPZTXGAMN-JSGCOSHPSA-N 1 0 353.444 -0.167 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CSc1n[nH]c(-c2ccco2)n1 ZINC000067459017 205372943 /nfs/dbraw/zinc/37/29/43/205372943.db2.gz MTHCSFJLNIETEG-BDAKNGLRSA-N 1 0 350.404 -0.169 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cccc(NC(C)=O)c1 ZINC000067473150 221256169 /nfs/dbraw/zinc/25/61/69/221256169.db2.gz VYSWLZXJYMZXBV-RISCZKNCSA-N 1 0 354.432 -0.129 50 0 FBAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000067473365 208706851 /nfs/dbraw/zinc/70/68/51/208706851.db2.gz PTBMZYWSHMDJGZ-HZMBPMFUSA-N 1 0 364.427 -0.327 50 0 FBAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000067490478 208707913 /nfs/dbraw/zinc/70/79/13/208707913.db2.gz JDUCTZHZQNQJKI-BQBZGAKWSA-N 1 0 363.852 -0.115 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000067490642 221257723 /nfs/dbraw/zinc/25/77/23/221257723.db2.gz BLVHTTIXAYRGKU-KGLIPLIRSA-N 1 0 357.418 -0.207 50 0 FBAARO Cn1cccc(C(=O)N2CCn3nc(C(=O)NCC[NH+](C)C)cc3C2)c1=O ZINC000067540046 208707318 /nfs/dbraw/zinc/70/73/18/208707318.db2.gz FEYIEFUAEBEPKK-UHFFFAOYSA-N 1 0 372.429 -0.471 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCn1cnc2ccccc2c1=O ZINC000067542137 483714799 /nfs/dbraw/zinc/71/47/99/483714799.db2.gz OBJINANUCKQJER-WFASDCNBSA-N 1 0 357.414 -0.149 50 0 FBAARO CN(C)c1nc2c(c(N[C@H]3COC[C@@H]3N3CCN(C)CC3)n1)CC[NH2+]C2 ZINC000067588408 221261454 /nfs/dbraw/zinc/26/14/54/221261454.db2.gz GUVWMSRAHHNPPR-HOTGVXAUSA-N 1 0 361.494 -0.385 50 0 FBAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 ZINC000067588496 221261367 /nfs/dbraw/zinc/26/13/67/221261367.db2.gz IPYVXAQVHOGYTR-GFCCVEGCSA-N 1 0 362.434 -0.957 50 0 FBAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CCC(=O)NC1)C2 ZINC000067588497 205376086 /nfs/dbraw/zinc/37/60/86/205376086.db2.gz IPYVXAQVHOGYTR-LBPRGKRZSA-N 1 0 362.434 -0.957 50 0 FBAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)[nH+]1 ZINC000067603570 205376578 /nfs/dbraw/zinc/37/65/78/205376578.db2.gz HCFWFIZALBIUNG-UHFFFAOYSA-N 1 0 370.479 -0.450 50 0 FBAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000067604557 221262024 /nfs/dbraw/zinc/26/20/24/221262024.db2.gz OXGLVODNZQIUAQ-BBRMVZONSA-N 1 0 366.487 -0.013 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(N2CCNC2=O)cc1 ZINC000067605605 205377159 /nfs/dbraw/zinc/37/71/59/205377159.db2.gz ABSAKIVZRFYLQH-ZFWWWQNUSA-N 1 0 359.430 -0.177 50 0 FBAARO [NH3+][C@H](CO)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067605739 205375743 /nfs/dbraw/zinc/37/57/43/205375743.db2.gz DUISUHMKMUZSDM-OAHLLOKOSA-N 1 0 356.430 -0.261 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-n2cnnn2)ccc1O ZINC000067642602 483714964 /nfs/dbraw/zinc/71/49/64/483714964.db2.gz YZYLPELGAHBTPZ-RISCZKNCSA-N 1 0 373.417 -0.222 50 0 FBAARO CN1CCN([C@H]2C[N@@H+](C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)CC1 ZINC000067650171 483714824 /nfs/dbraw/zinc/71/48/24/483714824.db2.gz TXCLLJCXIPUEAR-OALUTQOASA-N 1 0 373.501 -0.021 50 0 FBAARO Cc1nnnn1-c1ccc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1 ZINC000067654803 205380722 /nfs/dbraw/zinc/38/07/22/205380722.db2.gz LSRMHGZIQCVVAB-HOCLYGCPSA-N 1 0 371.445 -0.034 50 0 FBAARO COCCN1CCC[C@@](O)(C[N@@H+]2CCc3c(c(CO)nn3C)C2)C1=O ZINC000067655040 483714704 /nfs/dbraw/zinc/71/47/04/483714704.db2.gz XPFKGWSCSVWINM-QGZVFWFLSA-N 1 0 352.435 -0.730 50 0 FBAARO COCCN1CCC[C@](O)(C[N@@H+]2CCc3c(c(CO)nn3C)C2)C1=O ZINC000067655041 483714643 /nfs/dbraw/zinc/71/46/43/483714643.db2.gz XPFKGWSCSVWINM-KRWDZBQOSA-N 1 0 352.435 -0.730 50 0 FBAARO CCn1c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CC[NH+](C)C)c1=O ZINC000067673919 221267876 /nfs/dbraw/zinc/26/78/76/221267876.db2.gz UPAIMWLHTFLLFU-CYBMUJFWSA-N 1 0 374.511 -0.388 50 0 FBAARO CCn1c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CC[NH+](C)C)c1=O ZINC000067673920 221267771 /nfs/dbraw/zinc/26/77/71/221267771.db2.gz UPAIMWLHTFLLFU-ZDUSSCGKSA-N 1 0 374.511 -0.388 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000067675532 221269692 /nfs/dbraw/zinc/26/96/92/221269692.db2.gz JXSYHYJRAOXAHV-STQMWFEESA-N 1 0 357.480 -0.004 50 0 FBAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCS(=O)(=O)NC)cnn2c1 ZINC000067689058 483715457 /nfs/dbraw/zinc/71/54/57/483715457.db2.gz JMGLKIVEIFVCEE-UHFFFAOYSA-N 1 0 368.463 -0.150 50 0 FBAARO CNC(=O)C[NH2+]C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067689280 483715231 /nfs/dbraw/zinc/71/52/31/483715231.db2.gz QEBNZSPFOYWTOR-GOSISDBHSA-N 1 0 365.430 -0.107 50 0 FBAARO CNC(=O)C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067689281 205384296 /nfs/dbraw/zinc/38/42/96/205384296.db2.gz QEBNZSPFOYWTOR-SFHVURJKSA-N 1 0 365.430 -0.107 50 0 FBAARO O=C(c1ccc(NC[C@H](O)CO)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067689343 483715606 /nfs/dbraw/zinc/71/56/06/483715606.db2.gz HQGUGIRJMOMMOI-INIZCTEOSA-N 1 0 364.446 -0.217 50 0 FBAARO O=C(c1ccc(NC[C@@H](O)CO)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067689344 483715689 /nfs/dbraw/zinc/71/56/89/483715689.db2.gz HQGUGIRJMOMMOI-MRXNPFEDSA-N 1 0 364.446 -0.217 50 0 FBAARO COCCN1CCC[C@](O)(C[NH+]2CCC(O)(Cn3ccnc3)CC2)C1=O ZINC000067691352 205384236 /nfs/dbraw/zinc/38/42/36/205384236.db2.gz RUGXFLOSIKICKG-SFHVURJKSA-N 1 0 366.462 -0.290 50 0 FBAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(O)(Cn3ccnc3)CC2)C1=O ZINC000067691355 221271704 /nfs/dbraw/zinc/27/17/04/221271704.db2.gz RUGXFLOSIKICKG-GOSISDBHSA-N 1 0 366.462 -0.290 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000067692275 483715677 /nfs/dbraw/zinc/71/56/77/483715677.db2.gz KFFPPVKTEQAVFY-UFBFGSQYSA-N 1 0 353.404 -0.917 50 0 FBAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C(CO)CO)C2=O)c1 ZINC000067692330 221271585 /nfs/dbraw/zinc/27/15/85/221271585.db2.gz MMZYVILXQVXCFJ-KRWDZBQOSA-N 1 0 356.394 -0.369 50 0 FBAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]C(CO)CO)C2=O)c1 ZINC000067692333 221272045 /nfs/dbraw/zinc/27/20/45/221272045.db2.gz MMZYVILXQVXCFJ-QGZVFWFLSA-N 1 0 356.394 -0.369 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000067694700 483715334 /nfs/dbraw/zinc/71/53/34/483715334.db2.gz KFFPPVKTEQAVFY-PELKAZGASA-N 1 0 353.404 -0.917 50 0 FBAARO COCCN1CCC[C@@](O)(C[NH+]2CCC3(CC2)NC(C)=NC3=O)C1=O ZINC000067696778 483715566 /nfs/dbraw/zinc/71/55/66/483715566.db2.gz DCKVVHSDBDYFLI-QGZVFWFLSA-N 1 0 352.435 -0.631 50 0 FBAARO COCCN1CCC[C@](O)(C[NH+]2CCC3(CC2)NC(C)=NC3=O)C1=O ZINC000067696781 221273990 /nfs/dbraw/zinc/27/39/90/221273990.db2.gz DCKVVHSDBDYFLI-KRWDZBQOSA-N 1 0 352.435 -0.631 50 0 FBAARO CCS(=O)(=O)N1CCN(c2nc(N(C)C)nc3c2CC[NH2+]C3)CC1 ZINC000067712831 483715545 /nfs/dbraw/zinc/71/55/45/483715545.db2.gz JXZBZJWZVIJZQM-UHFFFAOYSA-N 1 0 354.480 -0.340 50 0 FBAARO Cc1nnnn1-c1ccc(CC(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1 ZINC000067713687 221274997 /nfs/dbraw/zinc/27/49/97/221274997.db2.gz LSRMHGZIQCVVAB-ZBFHGGJFSA-N 1 0 371.445 -0.034 50 0 FBAARO COCCN1CCC[C@@](O)(C[NH+]2CCN(Cc3nccn3C)CC2)C1=O ZINC000067714233 221274637 /nfs/dbraw/zinc/27/46/37/221274637.db2.gz IDRFEAHWOHTKOF-GOSISDBHSA-N 1 0 365.478 -0.462 50 0 FBAARO COCCN1CCC[C@](O)(C[NH+]2CCN(Cc3nccn3C)CC2)C1=O ZINC000067714234 205384894 /nfs/dbraw/zinc/38/48/94/205384894.db2.gz IDRFEAHWOHTKOF-SFHVURJKSA-N 1 0 365.478 -0.462 50 0 FBAARO CCn1c(C2CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)n[nH]c1=O ZINC000067725971 205388043 /nfs/dbraw/zinc/38/80/43/205388043.db2.gz JOGPXVIZIRAARW-CYBMUJFWSA-N 1 0 364.450 -0.505 50 0 FBAARO CCn1c(C2CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)n[nH]c1=O ZINC000067725974 221277688 /nfs/dbraw/zinc/27/76/88/221277688.db2.gz JOGPXVIZIRAARW-ZDUSSCGKSA-N 1 0 364.450 -0.505 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000067740853 483715626 /nfs/dbraw/zinc/71/56/26/483715626.db2.gz PTBMZYWSHMDJGZ-YGRLFVJLSA-N 1 0 364.427 -0.327 50 0 FBAARO C[NH+]1CCN(c2ncccc2CNC(=O)CCn2ccc(=O)[nH]c2=O)CC1 ZINC000067758418 221281791 /nfs/dbraw/zinc/28/17/91/221281791.db2.gz MFJNEUHDWWDHKX-UHFFFAOYSA-N 1 0 372.429 -0.610 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCC(OC)CC1 ZINC000067769610 205389645 /nfs/dbraw/zinc/38/96/45/205389645.db2.gz TZUNMMPKENCKMP-OCCSQVGLSA-N 1 0 362.496 -0.388 50 0 FBAARO [NH3+][C@@H](CO)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067771405 221283309 /nfs/dbraw/zinc/28/33/09/221283309.db2.gz DUISUHMKMUZSDM-HNNXBMFYSA-N 1 0 356.430 -0.261 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1nnc(-c2cccnc2)[nH]1 ZINC000067783822 221284949 /nfs/dbraw/zinc/28/49/49/221284949.db2.gz WJYCOWLXKJJCSY-STQMWFEESA-N 1 0 357.418 -0.138 50 0 FBAARO CNS(=O)(=O)CC[NH2+]C[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000067786315 221285941 /nfs/dbraw/zinc/28/59/41/221285941.db2.gz JYZNAYNYAORIJP-KRWDZBQOSA-N 1 0 369.487 -0.013 50 0 FBAARO CNS(=O)(=O)CC[NH2+]C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000067786319 221286248 /nfs/dbraw/zinc/28/62/48/221286248.db2.gz JYZNAYNYAORIJP-QGZVFWFLSA-N 1 0 369.487 -0.013 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000067786731 483715493 /nfs/dbraw/zinc/71/54/93/483715493.db2.gz BLVHTTIXAYRGKU-KBPBESRZSA-N 1 0 357.418 -0.207 50 0 FBAARO CN(CCC(=O)NCc1cccnc1N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000067787751 136137590 /nfs/dbraw/zinc/13/75/90/136137590.db2.gz NIJMVHMGIWTKFW-UHFFFAOYSA-N 1 0 369.491 -0.269 50 0 FBAARO CN(CCC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1)S(C)(=O)=O ZINC000067804975 205391924 /nfs/dbraw/zinc/39/19/24/205391924.db2.gz CTNCEPUNLYLOTN-UHFFFAOYSA-N 1 0 360.524 -0.104 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000067821335 205394802 /nfs/dbraw/zinc/39/48/02/205394802.db2.gz QHZCEHLRIQIVOU-PWSUYJOCSA-N 1 0 355.416 -0.316 50 0 FBAARO Cc1nn(C)c(N2CCOCC2)c1CN1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067834412 483715504 /nfs/dbraw/zinc/71/55/04/483715504.db2.gz JYLLVWVXRXWZDZ-ZBFHGGJFSA-N 1 0 364.494 -0.009 50 0 FBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3ccccc3OC)nn2)C[NH2+]1 ZINC000067840203 483715467 /nfs/dbraw/zinc/71/54/67/483715467.db2.gz NRNCPYROUSVHHG-JSGCOSHPSA-N 1 0 358.402 -0.134 50 0 FBAARO O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C2 ZINC000067840445 518200228 /nfs/dbraw/zinc/20/02/28/518200228.db2.gz HUZAPXPWTNLIAQ-ZBFHGGJFSA-N 1 0 370.413 -0.727 50 0 FBAARO Cn1cc(C(=O)N2CCn3nc(C(=O)NCC[NH+](C)C)cc3C2)ccc1=O ZINC000067841862 205395438 /nfs/dbraw/zinc/39/54/38/205395438.db2.gz IQCKYFJQFJFGLO-UHFFFAOYSA-N 1 0 372.429 -0.471 50 0 FBAARO Cn1ncc(N2CCO[C@H](CCNc3ncnc4c3CC[NH2+]C4)C2)cc1=O ZINC000067842668 221292493 /nfs/dbraw/zinc/29/24/93/221292493.db2.gz AKPXEFNQFSOCJG-CQSZACIVSA-N 1 0 371.445 -0.077 50 0 FBAARO Cn1ncc(N2CCO[C@@H](CCNc3ncnc4c3CC[NH2+]C4)C2)cc1=O ZINC000067842670 205395275 /nfs/dbraw/zinc/39/52/75/205395275.db2.gz AKPXEFNQFSOCJG-AWEZNQCLSA-N 1 0 371.445 -0.077 50 0 FBAARO CC(C)[C@H](NC(=O)c1cccc2nnnn21)c1nnc2n1CC[NH2+]CC2 ZINC000067843292 221293644 /nfs/dbraw/zinc/29/36/44/221293644.db2.gz IIHIMTXVWDDSFJ-AWEZNQCLSA-N 1 0 355.406 -0.011 50 0 FBAARO CC(C)[C@@H](NC(=O)c1cccc2nnnn21)c1nnc2n1CC[NH2+]CC2 ZINC000067843298 221293595 /nfs/dbraw/zinc/29/35/95/221293595.db2.gz IIHIMTXVWDDSFJ-CQSZACIVSA-N 1 0 355.406 -0.011 50 0 FBAARO O=C(c1ccc(N2CCNC(=O)C2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067843476 483715280 /nfs/dbraw/zinc/71/52/80/483715280.db2.gz ZSMDOWBUPJHRJE-UHFFFAOYSA-N 1 0 373.457 -0.045 50 0 FBAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000067843598 208731808 /nfs/dbraw/zinc/73/18/08/208731808.db2.gz QHZCEHLRIQIVOU-JQWIXIFHSA-N 1 0 355.416 -0.316 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)Cc3ccc(F)cc3)nn2)C[NH2+]1 ZINC000067846875 483715121 /nfs/dbraw/zinc/71/51/21/483715121.db2.gz SAWUONGCQWORDN-CABCVRRESA-N 1 0 360.393 -0.075 50 0 FBAARO O=C(CO)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000067850213 483715653 /nfs/dbraw/zinc/71/56/53/483715653.db2.gz HTGVUGRHZGSHLJ-MRXNPFEDSA-N 1 0 353.463 -0.023 50 0 FBAARO O=C(CO)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000067850216 483715166 /nfs/dbraw/zinc/71/51/66/483715166.db2.gz HTGVUGRHZGSHLJ-INIZCTEOSA-N 1 0 353.463 -0.023 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(-n2cnnn2)ccc1O ZINC000067854835 221295037 /nfs/dbraw/zinc/29/50/37/221295037.db2.gz YZYLPELGAHBTPZ-FZMZJTMJSA-N 1 0 373.417 -0.222 50 0 FBAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CSc1n[nH]c(-c2ccco2)n1 ZINC000067854962 483715573 /nfs/dbraw/zinc/71/55/73/483715573.db2.gz MTHCSFJLNIETEG-IUCAKERBSA-N 1 0 350.404 -0.169 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000067855073 483715136 /nfs/dbraw/zinc/71/51/36/483715136.db2.gz XDUDBXIKHFMNLX-KBPBESRZSA-N 1 0 357.418 -0.057 50 0 FBAARO C[NH+]1CCN(c2ncccc2CNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000067855567 483715642 /nfs/dbraw/zinc/71/56/42/483715642.db2.gz XFOWXSXUZUYHTH-UHFFFAOYSA-N 1 0 374.445 -0.220 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000067855869 221297038 /nfs/dbraw/zinc/29/70/38/221297038.db2.gz JDUCTZHZQNQJKI-RQJHMYQMSA-N 1 0 363.852 -0.115 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1nnc(-c2ccncc2)[nH]1 ZINC000067867090 483715318 /nfs/dbraw/zinc/71/53/18/483715318.db2.gz WVXQWRZREBEZOC-STQMWFEESA-N 1 0 357.418 -0.138 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)c3cccc(OC)c3)nn2)C[NH2+]1 ZINC000067867313 221297096 /nfs/dbraw/zinc/29/70/96/221297096.db2.gz YDDAUWJZUXOPIN-HIFRSBDPSA-N 1 0 358.402 -0.134 50 0 FBAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1nnc2ccccc2c1=O ZINC000067868815 205398831 /nfs/dbraw/zinc/39/88/31/205398831.db2.gz RSIWNXJNSKSQDR-FZMZJTMJSA-N 1 0 358.402 -0.756 50 0 FBAARO CS(=O)(=O)c1cccc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)c1 ZINC000067881148 483715509 /nfs/dbraw/zinc/71/55/09/483715509.db2.gz PZPXTHWAASFPEZ-UHFFFAOYSA-N 1 0 363.443 -0.200 50 0 FBAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]CCc2c[nH]c(=O)[nH]c2=O)C1=O ZINC000067881788 221300067 /nfs/dbraw/zinc/30/00/67/221300067.db2.gz VIMCHYYVRQEWKM-KRWDZBQOSA-N 1 0 352.435 -0.405 50 0 FBAARO CC(C)(C)CN1CCC[C@@](O)(C[NH2+]CCc2c[nH]c(=O)[nH]c2=O)C1=O ZINC000067881791 483715600 /nfs/dbraw/zinc/71/56/00/483715600.db2.gz VIMCHYYVRQEWKM-QGZVFWFLSA-N 1 0 352.435 -0.405 50 0 FBAARO Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)C[NH2+]2)c(=O)n1 ZINC000067894571 221303003 /nfs/dbraw/zinc/30/30/03/221303003.db2.gz UAHRNCFJXNBOLW-KGLIPLIRSA-N 1 0 373.413 -0.270 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000067894924 221302647 /nfs/dbraw/zinc/30/26/47/221302647.db2.gz MHGWISPZTXGAMN-OCCSQVGLSA-N 1 0 353.444 -0.167 50 0 FBAARO C[N@@H+]1CCCN(c2ncccc2CNC(=O)Cc2cc(=O)[nH]c(N)n2)CC1 ZINC000067896522 221302047 /nfs/dbraw/zinc/30/20/47/221302047.db2.gz CDFBHGJNFRBXFO-UHFFFAOYSA-N 1 0 371.445 -0.252 50 0 FBAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)cc1 ZINC000067909588 221303931 /nfs/dbraw/zinc/30/39/31/221303931.db2.gz JPBGKZGHWZYXKT-ZFWWWQNUSA-N 1 0 354.476 -0.189 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCn1cnc2ccccc2c1=O ZINC000067934393 221306252 /nfs/dbraw/zinc/30/62/52/221306252.db2.gz OBJINANUCKQJER-DOMZBBRYSA-N 1 0 357.414 -0.149 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CCC(OC)CC1 ZINC000067934892 208740697 /nfs/dbraw/zinc/74/06/97/208740697.db2.gz TZUNMMPKENCKMP-JSGCOSHPSA-N 1 0 362.496 -0.388 50 0 FBAARO CN1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC12CC[NH+](C)CC2 ZINC000067935163 221306226 /nfs/dbraw/zinc/30/62/26/221306226.db2.gz XAVRHOBGSJZNNI-AWEZNQCLSA-N 1 0 358.508 -0.351 50 0 FBAARO CN1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC12CC[NH+](C)CC2 ZINC000067935164 483716522 /nfs/dbraw/zinc/71/65/22/483716522.db2.gz XAVRHOBGSJZNNI-CQSZACIVSA-N 1 0 358.508 -0.351 50 0 FBAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CC(N)=O)C2=O)c1OC ZINC000067946931 483715937 /nfs/dbraw/zinc/71/59/37/483715937.db2.gz ZXSSFXQRYOPOAD-KRWDZBQOSA-N 1 0 351.403 -0.368 50 0 FBAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CC(N)=O)C2=O)c1OC ZINC000067946932 221307487 /nfs/dbraw/zinc/30/74/87/221307487.db2.gz ZXSSFXQRYOPOAD-QGZVFWFLSA-N 1 0 351.403 -0.368 50 0 FBAARO C[N@@H+]1CCCN(c2ncccc2CNC(=O)CNS(C)(=O)=O)CC1 ZINC000067947499 483716023 /nfs/dbraw/zinc/71/60/23/483716023.db2.gz IRQSYOSMBJBEJA-UHFFFAOYSA-N 1 0 355.464 -0.611 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067955664 221309629 /nfs/dbraw/zinc/30/96/29/221309629.db2.gz IQFIPLNTHATGAB-UHFFFAOYSA-N 1 0 372.429 -0.623 50 0 FBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3ccnc(Cl)c3)nn2)C[NH2+]1 ZINC000067965043 221309129 /nfs/dbraw/zinc/30/91/29/221309129.db2.gz BRVNEXMLSDPAFV-RYUDHWBXSA-N 1 0 363.809 -0.095 50 0 FBAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CO)CC3)C2)CC1 ZINC000067966676 221311023 /nfs/dbraw/zinc/31/10/23/221311023.db2.gz JNNSNLJDWIJRAD-OAHLLOKOSA-N 1 0 352.479 -0.544 50 0 FBAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CO)CC3)C2)CC1 ZINC000067966677 483716383 /nfs/dbraw/zinc/71/63/83/483716383.db2.gz JNNSNLJDWIJRAD-HNNXBMFYSA-N 1 0 352.479 -0.544 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cccc(NC(C)=O)c1 ZINC000067973728 221310777 /nfs/dbraw/zinc/31/07/77/221310777.db2.gz VYSWLZXJYMZXBV-FZMZJTMJSA-N 1 0 354.432 -0.129 50 0 FBAARO [NH3+]CCn1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nn1 ZINC000067974130 205407858 /nfs/dbraw/zinc/40/78/58/205407858.db2.gz UIHMEOGXLAOQMN-GXTWGEPZSA-N 1 0 359.386 -0.044 50 0 FBAARO CNC(=O)[C@@H]1C[C@H](n2cc(CNC(=O)c3cccc(OC)c3)nn2)C[NH2+]1 ZINC000067974792 483716333 /nfs/dbraw/zinc/71/63/33/483716333.db2.gz YDDAUWJZUXOPIN-ZFWWWQNUSA-N 1 0 358.402 -0.134 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CNC(=O)c3ccccc3OC)nn2)C[NH2+]1 ZINC000067974800 483716264 /nfs/dbraw/zinc/71/62/64/483716264.db2.gz NRNCPYROUSVHHG-OCCSQVGLSA-N 1 0 358.402 -0.134 50 0 FBAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCO)CC3)C2)CC1 ZINC000067975591 483715962 /nfs/dbraw/zinc/71/59/62/483715962.db2.gz PEUCKFBLUVUALB-MRXNPFEDSA-N 1 0 366.506 -0.154 50 0 FBAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCO)CC3)C2)CC1 ZINC000067975592 483716115 /nfs/dbraw/zinc/71/61/15/483716115.db2.gz PEUCKFBLUVUALB-INIZCTEOSA-N 1 0 366.506 -0.154 50 0 FBAARO Cn1nnnc1SCC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067983145 483716298 /nfs/dbraw/zinc/71/62/98/483716298.db2.gz LBONSBOYXHEPTE-UHFFFAOYSA-N 1 0 353.496 -0.069 50 0 FBAARO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cn2)CC1 ZINC000069460327 136138031 /nfs/dbraw/zinc/13/80/31/136138031.db2.gz ADZAJELNETXJHZ-AWEZNQCLSA-N 1 0 374.445 -0.172 50 0 FBAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000071279028 221336814 /nfs/dbraw/zinc/33/68/14/221336814.db2.gz JXSYHYJRAOXAHV-OLZOCXBDSA-N 1 0 357.480 -0.004 50 0 FBAARO CC1(C)NC(=O)N(C[C@H](O)CN2CCN(CC[NH+]3CCCC3)CC2)C1=O ZINC000071282232 221338293 /nfs/dbraw/zinc/33/82/93/221338293.db2.gz SIFMWMXUTZVKDY-OAHLLOKOSA-N 1 0 367.494 -0.405 50 0 FBAARO CC1(C)NC(=O)N(C[C@@H](O)CN2CCN(CC[NH+]3CCCC3)CC2)C1=O ZINC000071282233 221338319 /nfs/dbraw/zinc/33/83/19/221338319.db2.gz SIFMWMXUTZVKDY-HNNXBMFYSA-N 1 0 367.494 -0.405 50 0 FBAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2noc(C(=O)N(C)C)n2)c1=O ZINC000071575671 483724118 /nfs/dbraw/zinc/72/41/18/483724118.db2.gz MHVHPOFDQOOUNV-UHFFFAOYSA-N 1 0 363.422 -0.260 50 0 FBAARO CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1cn(CC[NH3+])nn1)C2 ZINC000071638806 221353626 /nfs/dbraw/zinc/35/36/26/221353626.db2.gz LFAQDMDLAMIPAM-UHFFFAOYSA-N 1 0 359.438 -0.643 50 0 FBAARO O=C(NC(CO)CO)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071736121 221357134 /nfs/dbraw/zinc/35/71/34/221357134.db2.gz JGXAVAMSBSTDTO-AWEZNQCLSA-N 1 0 353.463 -0.431 50 0 FBAARO O=C(NC(CO)CO)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071736124 221357039 /nfs/dbraw/zinc/35/70/39/221357039.db2.gz JGXAVAMSBSTDTO-CQSZACIVSA-N 1 0 353.463 -0.431 50 0 FBAARO COc1ccccc1N1CCN([C@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2O)CC1 ZINC000071738551 537071082 /nfs/dbraw/zinc/07/10/82/537071082.db2.gz MTFXLUJXQWNKAB-IRXDYDNUSA-N 1 0 362.474 -0.050 50 0 FBAARO Cn1c2ncn(CC[N@@H+]3CCC[C@H](N4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000071745777 483582561 /nfs/dbraw/zinc/58/25/61/483582561.db2.gz CBRMMBNIZSCRGM-ZDUSSCGKSA-N 1 0 374.445 -0.480 50 0 FBAARO Cn1c2ncn(CC[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000071745778 221358070 /nfs/dbraw/zinc/35/80/70/221358070.db2.gz CBRMMBNIZSCRGM-CYBMUJFWSA-N 1 0 374.445 -0.480 50 0 FBAARO CNC(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071747096 221359901 /nfs/dbraw/zinc/35/99/01/221359901.db2.gz LOSQPVHBANLHBV-INIZCTEOSA-N 1 0 365.522 -0.317 50 0 FBAARO CNC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071747097 483724559 /nfs/dbraw/zinc/72/45/59/483724559.db2.gz LOSQPVHBANLHBV-MRXNPFEDSA-N 1 0 365.522 -0.317 50 0 FBAARO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c(C)n1-n1cnnc1 ZINC000071752676 483724619 /nfs/dbraw/zinc/72/46/19/483724619.db2.gz SAZZCFUHNBIJQW-ROUUACIJSA-N 1 0 359.478 -0.200 50 0 FBAARO NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071755042 483724819 /nfs/dbraw/zinc/72/48/19/483724819.db2.gz ATAHDEXNRQSECI-ZDUSSCGKSA-N 1 0 352.435 -0.967 50 0 FBAARO NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071755043 221364987 /nfs/dbraw/zinc/36/49/87/221364987.db2.gz ATAHDEXNRQSECI-CYBMUJFWSA-N 1 0 352.435 -0.967 50 0 FBAARO Nc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)n1 ZINC000072123839 483727045 /nfs/dbraw/zinc/72/70/45/483727045.db2.gz KCRQJLLQUFSPNC-GFCCVEGCSA-N 1 0 362.434 -0.444 50 0 FBAARO Nc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)n1 ZINC000072123840 483727139 /nfs/dbraw/zinc/72/71/39/483727139.db2.gz KCRQJLLQUFSPNC-LBPRGKRZSA-N 1 0 362.434 -0.444 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072125549 483726974 /nfs/dbraw/zinc/72/69/74/483726974.db2.gz AOCVPXPQOQEJGZ-UHFFFAOYSA-N 1 0 350.419 -0.638 50 0 FBAARO O=C1NCCN2CCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C[C@@H]12 ZINC000072126401 483496088 /nfs/dbraw/zinc/49/60/88/483496088.db2.gz RUYKOSIUAFWSNF-HNNXBMFYSA-N 1 0 351.414 -0.238 50 0 FBAARO COC(=O)C[C@H]([NH3+])C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1 ZINC000072129222 483727122 /nfs/dbraw/zinc/72/71/22/483727122.db2.gz RVASLLXUJHUDOA-NSHDSACASA-N 1 0 350.423 -0.616 50 0 FBAARO CC(=O)N1CCOc2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCOC3)cc21 ZINC000072133048 534802420 /nfs/dbraw/zinc/80/24/20/534802420.db2.gz YPMNPNZYIQPIGZ-ZDUSSCGKSA-N 1 0 369.443 -0.054 50 0 FBAARO CC(=O)N1CCOc2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCOC3)cc21 ZINC000072133049 534801050 /nfs/dbraw/zinc/80/10/50/534801050.db2.gz YPMNPNZYIQPIGZ-CYBMUJFWSA-N 1 0 369.443 -0.054 50 0 FBAARO Cn1c2ccc(S(=O)(=O)NC[C@]3(O)CCC[NH2+]CC3)cc2n(C)c1=O ZINC000072140161 571171905 /nfs/dbraw/zinc/17/19/05/571171905.db2.gz GHRAKYFOEBMUEZ-INIZCTEOSA-N 1 0 368.459 -0.340 50 0 FBAARO Cn1c2ccc(S(=O)(=O)NC[C@@]3(O)CCC[NH2+]CC3)cc2n(C)c1=O ZINC000072140162 571172142 /nfs/dbraw/zinc/17/21/42/571172142.db2.gz GHRAKYFOEBMUEZ-MRXNPFEDSA-N 1 0 368.459 -0.340 50 0 FBAARO NS(=O)(=O)N1CCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)CC1 ZINC000072140464 571171927 /nfs/dbraw/zinc/17/19/27/571171927.db2.gz HXDREZDBPHSEEY-UHFFFAOYSA-N 1 0 361.431 -0.533 50 0 FBAARO Cn1ncc(N2CCO[C@H](CCNC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC000072144135 483727885 /nfs/dbraw/zinc/72/78/85/483727885.db2.gz DFVMMQGHYXWIGT-MRXNPFEDSA-N 1 0 363.462 -0.166 50 0 FBAARO Cn1ncc(N2CCO[C@@H](CCNC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC000072144136 483728399 /nfs/dbraw/zinc/72/83/99/483728399.db2.gz DFVMMQGHYXWIGT-INIZCTEOSA-N 1 0 363.462 -0.166 50 0 FBAARO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@]3(C2)C[NH2+]CCOC3)n1C ZINC000072147525 483727660 /nfs/dbraw/zinc/72/76/60/483727660.db2.gz COLJCQUSOGVDAO-OAHLLOKOSA-N 1 0 373.431 -0.809 50 0 FBAARO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@]3(C2)C[NH2+]CCOC3)n1C ZINC000072147526 483728369 /nfs/dbraw/zinc/72/83/69/483728369.db2.gz COLJCQUSOGVDAO-HNNXBMFYSA-N 1 0 373.431 -0.809 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n(C)c1=O ZINC000072150773 221429909 /nfs/dbraw/zinc/42/99/09/221429909.db2.gz VLMNXNSEKUFWKE-ZDUSSCGKSA-N 1 0 350.419 -0.855 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n(C)c1=O ZINC000072150774 483728342 /nfs/dbraw/zinc/72/83/42/483728342.db2.gz VLMNXNSEKUFWKE-CYBMUJFWSA-N 1 0 350.419 -0.855 50 0 FBAARO Cn1ncc(N2CCO[C@H](CCNC(=O)C3(C)CC[NH2+]CC3)C2)cc1=O ZINC000072151179 136142915 /nfs/dbraw/zinc/14/29/15/136142915.db2.gz UZSSCGAJEFFOAI-OAHLLOKOSA-N 1 0 363.462 -0.119 50 0 FBAARO Cn1ncc(N2CCO[C@@H](CCNC(=O)C3(C)CC[NH2+]CC3)C2)cc1=O ZINC000072151180 136142844 /nfs/dbraw/zinc/14/28/44/136142844.db2.gz UZSSCGAJEFFOAI-HNNXBMFYSA-N 1 0 363.462 -0.119 50 0 FBAARO Cn1c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C3)cc2nc1N1CCOCC1 ZINC000072153139 483728303 /nfs/dbraw/zinc/72/83/03/483728303.db2.gz JNIGPHDIJQGTNX-SFHVURJKSA-N 1 0 359.430 -0.136 50 0 FBAARO Cn1c2ccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)cc2nc1N1CCOCC1 ZINC000072153140 208813163 /nfs/dbraw/zinc/81/31/63/208813163.db2.gz JNIGPHDIJQGTNX-GOSISDBHSA-N 1 0 359.430 -0.136 50 0 FBAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072159136 483727604 /nfs/dbraw/zinc/72/76/04/483727604.db2.gz JMSFBYPTYIPXNJ-LBPRGKRZSA-N 1 0 364.450 -0.340 50 0 FBAARO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072159137 483728007 /nfs/dbraw/zinc/72/80/07/483728007.db2.gz JMSFBYPTYIPXNJ-GFCCVEGCSA-N 1 0 364.450 -0.340 50 0 FBAARO O=C1NCCN1CC[NH2+][C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000072161158 483728280 /nfs/dbraw/zinc/72/82/80/483728280.db2.gz CCGFCERCKVHRNX-ZIAGYGMSSA-N 1 0 354.432 -0.965 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)n(C)c1=O ZINC000072162503 483729142 /nfs/dbraw/zinc/72/91/42/483729142.db2.gz IWFDXQXMYOJDBI-UHFFFAOYSA-N 1 0 350.419 -0.855 50 0 FBAARO NS(=O)(=O)CCCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072165162 483728713 /nfs/dbraw/zinc/72/87/13/483728713.db2.gz AOPHOXAWUMIICA-CVEARBPZSA-N 1 0 367.471 -0.010 50 0 FBAARO CS(=O)(=O)NCCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072169213 483729148 /nfs/dbraw/zinc/72/91/48/483729148.db2.gz ZAAVOJMJTLWRPW-CVEARBPZSA-N 1 0 367.471 -0.140 50 0 FBAARO CS(=O)(=O)NCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072173782 483729111 /nfs/dbraw/zinc/72/91/11/483729111.db2.gz LGHIXLFWXNUZKN-CABCVRRESA-N 1 0 353.444 -0.530 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](N(C)CC[NH+](C)C)C1 ZINC000072174093 483728627 /nfs/dbraw/zinc/72/86/27/483728627.db2.gz MRDBDGGUFDXBHH-ZDUSSCGKSA-N 1 0 351.451 -0.601 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1 ZINC000072174094 483728667 /nfs/dbraw/zinc/72/86/67/483728667.db2.gz MRDBDGGUFDXBHH-CYBMUJFWSA-N 1 0 351.451 -0.601 50 0 FBAARO CC[NH+]1CCN(CC(=O)NCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000072273216 483505315 /nfs/dbraw/zinc/50/53/15/483505315.db2.gz AIXPNBCHQOXJSP-UHFFFAOYSA-N 1 0 354.476 -0.152 50 0 FBAARO CS(=O)(=O)c1cnc(N2CCN(CCO)CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072407434 136145122 /nfs/dbraw/zinc/14/51/22/136145122.db2.gz QUZWMOPIUFYDHX-CYBMUJFWSA-N 1 0 369.491 -0.539 50 0 FBAARO CS(=O)(=O)c1cnc(N2CCN(CCO)CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072407435 136145178 /nfs/dbraw/zinc/14/51/78/136145178.db2.gz QUZWMOPIUFYDHX-ZDUSSCGKSA-N 1 0 369.491 -0.539 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000072408276 571191432 /nfs/dbraw/zinc/19/14/32/571191432.db2.gz DXYIVFMKCIOTKM-OAHLLOKOSA-N 1 0 367.494 -0.040 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000072408277 571191452 /nfs/dbraw/zinc/19/14/52/571191452.db2.gz DXYIVFMKCIOTKM-HNNXBMFYSA-N 1 0 367.494 -0.040 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000072410297 571191633 /nfs/dbraw/zinc/19/16/33/571191633.db2.gz OAMOXPUQFAJRCT-CYBMUJFWSA-N 1 0 350.467 -0.173 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000072410298 571191643 /nfs/dbraw/zinc/19/16/43/571191643.db2.gz OAMOXPUQFAJRCT-ZDUSSCGKSA-N 1 0 350.467 -0.173 50 0 FBAARO C[NH2+]CC(=O)N1CCn2nc(CN3CCN(c4ncccn4)CC3)cc2C1 ZINC000072418066 136145759 /nfs/dbraw/zinc/14/57/59/136145759.db2.gz KJVRIDBPWADWIR-UHFFFAOYSA-N 1 0 370.461 -0.443 50 0 FBAARO Nc1nc2c(c(N3CCN(CC(=O)N4CCCC4)CC3)n1)CC[NH2+]CC2 ZINC000072419811 136145853 /nfs/dbraw/zinc/14/58/53/136145853.db2.gz YCHGCJCJDNFTQP-UHFFFAOYSA-N 1 0 359.478 -0.509 50 0 FBAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000072420008 483729637 /nfs/dbraw/zinc/72/96/37/483729637.db2.gz DYWDBDWMNIJHBL-UHFFFAOYSA-N 1 0 354.451 -0.570 50 0 FBAARO CS(=O)(=O)N1CCC[C@H](CNC(=O)CCc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072420221 208853132 /nfs/dbraw/zinc/85/31/32/208853132.db2.gz DJTDADLCOPWRLI-CYBMUJFWSA-N 1 0 369.491 -0.293 50 0 FBAARO CS(=O)(=O)N1CCC[C@@H](CNC(=O)CCc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072420222 483729829 /nfs/dbraw/zinc/72/98/29/483729829.db2.gz DJTDADLCOPWRLI-ZDUSSCGKSA-N 1 0 369.491 -0.293 50 0 FBAARO [NH3+]C1(C(=O)N2CCN(Cc3ccncc3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000072422652 483729518 /nfs/dbraw/zinc/72/95/18/483729518.db2.gz LBXGDTFKZPWZQB-KGLIPLIRSA-N 1 0 350.444 -0.617 50 0 FBAARO CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2ccc(=O)[nH]n2)CC1 ZINC000072423178 483729786 /nfs/dbraw/zinc/72/97/86/483729786.db2.gz VJJZPZMBFHDWIB-CVEARBPZSA-N 1 0 361.446 -0.050 50 0 FBAARO CCN1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1 ZINC000072423684 483729734 /nfs/dbraw/zinc/72/97/34/483729734.db2.gz SEAUKPVUEYRSAE-KGLIPLIRSA-N 1 0 363.462 -0.581 50 0 FBAARO CN(C)c1nc2c(c(N3CCC4(CC3)NC(N)=NC4=O)n1)CC[NH2+]CC2 ZINC000072424924 136146398 /nfs/dbraw/zinc/14/63/98/136146398.db2.gz ROESOSYCIBKABM-UHFFFAOYSA-N 1 0 358.450 -0.986 50 0 FBAARO Cn1ncc(N2CCN(c3nc(N)nc4c3CC[NH2+]CC4)CC2)cc1=O ZINC000072425107 136146424 /nfs/dbraw/zinc/14/64/24/136146424.db2.gz WTUGHSTWSJJNOL-UHFFFAOYSA-N 1 0 356.434 -0.833 50 0 FBAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCN(CCn2cncn2)CC1 ZINC000072427029 571194435 /nfs/dbraw/zinc/19/44/35/571194435.db2.gz AZGFEEXLQBQZSU-UHFFFAOYSA-N 1 0 372.477 -0.255 50 0 FBAARO C[NH2+][C@@H](CO)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072428958 536354961 /nfs/dbraw/zinc/35/49/61/536354961.db2.gz NVGAUDQZYDUHGC-INIZCTEOSA-N 1 0 363.462 -0.092 50 0 FBAARO CS(=O)(=O)c1cnc(NCCN2CCNC2=O)nc1[C@@H]1CCC[NH2+]C1 ZINC000072429190 571195102 /nfs/dbraw/zinc/19/51/02/571195102.db2.gz SBXIQOBLWGYUSL-LLVKDONJSA-N 1 0 368.463 -0.216 50 0 FBAARO CS(=O)(=O)c1cnc(NCCN2CCNC2=O)nc1[C@H]1CCC[NH2+]C1 ZINC000072429191 208858237 /nfs/dbraw/zinc/85/82/37/208858237.db2.gz SBXIQOBLWGYUSL-NSHDSACASA-N 1 0 368.463 -0.216 50 0 FBAARO CN(C)S(=O)(=O)N1CCc2nc(N)nc(NCC[NH+](C)C)c2CC1 ZINC000072431168 571195635 /nfs/dbraw/zinc/19/56/35/571195635.db2.gz AHWAPUNONHQMJP-UHFFFAOYSA-N 1 0 357.484 -0.761 50 0 FBAARO C[C@@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000072433202 571196112 /nfs/dbraw/zinc/19/61/12/571196112.db2.gz PZGPBVKOUPJDTE-ZDUSSCGKSA-N 1 0 364.446 -0.425 50 0 FBAARO C[C@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000072433203 208861621 /nfs/dbraw/zinc/86/16/21/208861621.db2.gz PZGPBVKOUPJDTE-CYBMUJFWSA-N 1 0 364.446 -0.425 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072433359 221525487 /nfs/dbraw/zinc/52/54/87/221525487.db2.gz HKYRKHFVBBXPIK-CYBMUJFWSA-N 1 0 364.446 -0.127 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072433360 571196092 /nfs/dbraw/zinc/19/60/92/571196092.db2.gz HKYRKHFVBBXPIK-ZDUSSCGKSA-N 1 0 364.446 -0.127 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000072435318 571196298 /nfs/dbraw/zinc/19/62/98/571196298.db2.gz PQHGOOAKMSSGLG-CYBMUJFWSA-N 1 0 353.467 -0.696 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000072435321 571196340 /nfs/dbraw/zinc/19/63/40/571196340.db2.gz PQHGOOAKMSSGLG-ZDUSSCGKSA-N 1 0 353.467 -0.696 50 0 FBAARO COCCCN1C(=O)CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@H]21 ZINC000072435896 483730157 /nfs/dbraw/zinc/73/01/57/483730157.db2.gz VJLFXWWJYZORCZ-JKSUJKDBSA-N 1 0 352.479 -0.232 50 0 FBAARO COc1ccc(S(=O)(=O)N2CCN([C@H]3C[N@H+](C)C[C@@H]3O)CC2)cc1 ZINC000072436031 483730480 /nfs/dbraw/zinc/73/04/80/483730480.db2.gz JQYQXBGHQODWAA-HOTGVXAUSA-N 1 0 355.460 -0.324 50 0 FBAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000072437872 483730286 /nfs/dbraw/zinc/73/02/86/483730286.db2.gz XXTBTTBMBFTURM-HNNXBMFYSA-N 1 0 360.524 -0.198 50 0 FBAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000072437873 483730073 /nfs/dbraw/zinc/73/00/73/483730073.db2.gz XXTBTTBMBFTURM-OAHLLOKOSA-N 1 0 360.524 -0.198 50 0 FBAARO C[NH+]1CCC(N2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)CC1 ZINC000072438337 536340045 /nfs/dbraw/zinc/34/00/45/536340045.db2.gz LHBVTLBFHHHDRS-INIZCTEOSA-N 1 0 364.494 -0.152 50 0 FBAARO Cn1nnnc1SCCNC(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072439286 483730418 /nfs/dbraw/zinc/73/04/18/483730418.db2.gz NMODAHYXALWGQJ-UHFFFAOYSA-N 1 0 350.452 -0.259 50 0 FBAARO NC1=NC(=O)C2(CCN(C(=O)CCc3cc4n(n3)CCC[NH2+]C4)CC2)N1 ZINC000072457735 483730437 /nfs/dbraw/zinc/73/04/37/483730437.db2.gz UPRWTMCGRDDNBK-UHFFFAOYSA-N 1 0 359.434 -0.885 50 0 FBAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCCS(=O)(=O)N1CCCC1 ZINC000072462878 483730457 /nfs/dbraw/zinc/73/04/57/483730457.db2.gz WLVASZVDKIIVDQ-UHFFFAOYSA-N 1 0 369.491 -0.149 50 0 FBAARO CS(=O)(=O)N1CCC(NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072463456 208868906 /nfs/dbraw/zinc/86/89/06/208868906.db2.gz RPNGQJWTNZOHEZ-UHFFFAOYSA-N 1 0 369.491 -0.151 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000072469247 483730328 /nfs/dbraw/zinc/73/03/28/483730328.db2.gz LLENYEHJAGOWKU-CYBMUJFWSA-N 1 0 362.478 -0.303 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000072469249 483730198 /nfs/dbraw/zinc/73/01/98/483730198.db2.gz LLENYEHJAGOWKU-ZDUSSCGKSA-N 1 0 362.478 -0.303 50 0 FBAARO Cc1cc(N)n(CC(=O)N2CCn3nc(CN4CC[NH2+][C@H](C)C4)cc3C2)n1 ZINC000072472861 483730236 /nfs/dbraw/zinc/73/02/36/483730236.db2.gz WBIXGOLJFVZBLW-CQSZACIVSA-N 1 0 372.477 -0.194 50 0 FBAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000072472948 483730109 /nfs/dbraw/zinc/73/01/09/483730109.db2.gz LCOSNJWJJACFKC-OAHLLOKOSA-N 1 0 353.467 -0.164 50 0 FBAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000072472949 483730609 /nfs/dbraw/zinc/73/06/09/483730609.db2.gz LCOSNJWJJACFKC-HNNXBMFYSA-N 1 0 353.467 -0.164 50 0 FBAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@@H](C)O)CC3)OC2=O)CC1 ZINC000072473377 483730130 /nfs/dbraw/zinc/73/01/30/483730130.db2.gz DZYYLIMLHDNLRJ-OAHLLOKOSA-N 1 0 368.478 -0.182 50 0 FBAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@H](C)O)CC3)OC2=O)CC1 ZINC000072473378 483730245 /nfs/dbraw/zinc/73/02/45/483730245.db2.gz DZYYLIMLHDNLRJ-HNNXBMFYSA-N 1 0 368.478 -0.182 50 0 FBAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCN(CCn2cncn2)CC1 ZINC000072473968 483730544 /nfs/dbraw/zinc/73/05/44/483730544.db2.gz VHACLZQCSJMCGV-UHFFFAOYSA-N 1 0 358.450 -0.645 50 0 FBAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000072474437 483730251 /nfs/dbraw/zinc/73/02/51/483730251.db2.gz SYGLZXKOWFLYEP-MRXNPFEDSA-N 1 0 361.446 -0.231 50 0 FBAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000072474438 483730467 /nfs/dbraw/zinc/73/04/67/483730467.db2.gz SYGLZXKOWFLYEP-INIZCTEOSA-N 1 0 361.446 -0.231 50 0 FBAARO COc1ccc(S(=O)(=O)N2CCN(C[C@]3(O)CC[NH2+]C3)CC2)cc1 ZINC000072474939 205561327 /nfs/dbraw/zinc/56/13/27/205561327.db2.gz OXCGZJHTMVDKGZ-INIZCTEOSA-N 1 0 355.460 -0.274 50 0 FBAARO COc1ccc(S(=O)(=O)N2CCN(C[C@@]3(O)CC[NH2+]C3)CC2)cc1 ZINC000072474940 221547027 /nfs/dbraw/zinc/54/70/27/221547027.db2.gz OXCGZJHTMVDKGZ-MRXNPFEDSA-N 1 0 355.460 -0.274 50 0 FBAARO Cc1cn(CC(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000072475776 483730272 /nfs/dbraw/zinc/73/02/72/483730272.db2.gz UKIWJPGBXDAESQ-CQSZACIVSA-N 1 0 364.446 -0.196 50 0 FBAARO Cc1cn(CC(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000072475777 483730523 /nfs/dbraw/zinc/73/05/23/483730523.db2.gz UKIWJPGBXDAESQ-AWEZNQCLSA-N 1 0 364.446 -0.196 50 0 FBAARO C[NH2+]CC(=O)N1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072476525 483730293 /nfs/dbraw/zinc/73/02/93/483730293.db2.gz MDSONKKMZYNOHB-ZDUSSCGKSA-N 1 0 350.467 -0.303 50 0 FBAARO C[NH2+]CC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072476526 483730387 /nfs/dbraw/zinc/73/03/87/483730387.db2.gz MDSONKKMZYNOHB-CYBMUJFWSA-N 1 0 350.467 -0.303 50 0 FBAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)NCCS(=O)(=O)N1CCCC1 ZINC000072476696 483730633 /nfs/dbraw/zinc/73/06/33/483730633.db2.gz UKDHAPUTGAUZKG-UHFFFAOYSA-N 1 0 355.464 -0.539 50 0 FBAARO Cc1c(NC(=O)CCc2cc3n(n2)CC[NH2+]C3)c(C)n(C)c(=O)c1C(N)=O ZINC000072477931 483730174 /nfs/dbraw/zinc/73/01/74/483730174.db2.gz KOADKJHVHYXAAR-UHFFFAOYSA-N 1 0 372.429 -0.028 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000072479204 483730945 /nfs/dbraw/zinc/73/09/45/483730945.db2.gz XPRIOHIYDWJOQO-CYBMUJFWSA-N 1 0 350.467 -0.173 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000072479205 483730934 /nfs/dbraw/zinc/73/09/34/483730934.db2.gz XPRIOHIYDWJOQO-ZDUSSCGKSA-N 1 0 350.467 -0.173 50 0 FBAARO CCc1nc2c(c(N3CCN(C(=O)c4nc[nH]n4)CC3)n1)CC[NH2+]CC2 ZINC000072479825 536154900 /nfs/dbraw/zinc/15/49/00/536154900.db2.gz KOOMBJSFJSUXKD-UHFFFAOYSA-N 1 0 356.434 -0.192 50 0 FBAARO Cc1nc(CN2CCN(C(=O)CCc3cc4n(n3)CC[NH2+]C4)CC2)no1 ZINC000072480032 483730902 /nfs/dbraw/zinc/73/09/02/483730902.db2.gz ZYYKFEGXYAMHFA-UHFFFAOYSA-N 1 0 359.434 -0.045 50 0 FBAARO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)C1 ZINC000072481435 483730973 /nfs/dbraw/zinc/73/09/73/483730973.db2.gz RWTDPFVGYQWPMO-CQSZACIVSA-N 1 0 354.451 -0.572 50 0 FBAARO C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)C1 ZINC000072481436 483730977 /nfs/dbraw/zinc/73/09/77/483730977.db2.gz RWTDPFVGYQWPMO-AWEZNQCLSA-N 1 0 354.451 -0.572 50 0 FBAARO C[NH+](C)CCN1C[C@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000073352457 571200974 /nfs/dbraw/zinc/20/09/74/571200974.db2.gz QKJKWCHVCFRFDL-OAHLLOKOSA-N 1 0 360.462 -0.075 50 0 FBAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000073352458 571201053 /nfs/dbraw/zinc/20/10/53/571201053.db2.gz QKJKWCHVCFRFDL-HNNXBMFYSA-N 1 0 360.462 -0.075 50 0 FBAARO Cc1cc(=O)n(CC(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)nc1C ZINC000077287321 483743952 /nfs/dbraw/zinc/74/39/52/483743952.db2.gz GCRXORKZGPLZOA-SFHVURJKSA-N 1 0 364.446 -0.454 50 0 FBAARO Cc1cc(=O)n(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc1C ZINC000077287322 221600366 /nfs/dbraw/zinc/60/03/66/221600366.db2.gz GCRXORKZGPLZOA-GOSISDBHSA-N 1 0 364.446 -0.454 50 0 FBAARO C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C1 ZINC000077287344 483743805 /nfs/dbraw/zinc/74/38/05/483743805.db2.gz WVKAHXOLDXGNIS-CYBMUJFWSA-N 1 0 366.487 -0.145 50 0 FBAARO COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C2 ZINC000077287567 483744216 /nfs/dbraw/zinc/74/42/16/483744216.db2.gz ZOFOWJPNYSCBEQ-ABAIWWIYSA-N 1 0 371.459 -0.796 50 0 FBAARO Cn1ncc(N2CCC(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC2)cc1=O ZINC000077287728 132179802 /nfs/dbraw/zinc/17/98/02/132179802.db2.gz AUWMXWRWXCGBIE-HNNXBMFYSA-N 1 0 359.434 -0.594 50 0 FBAARO C[NH+]1CCC(O)(C(=O)N2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)CC1 ZINC000077298356 483743890 /nfs/dbraw/zinc/74/38/90/483743890.db2.gz WHJBIMULXWMYSP-HUUCEWRRSA-N 1 0 362.430 -0.770 50 0 FBAARO O=C(NCc1cnn2ccccc12)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077300175 483744068 /nfs/dbraw/zinc/74/40/68/483744068.db2.gz QUQLSGOKBZJVKQ-UHFFFAOYSA-N 1 0 354.418 -0.239 50 0 FBAARO CSCCN1CCN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)CC1 ZINC000077300307 483744004 /nfs/dbraw/zinc/74/40/04/483744004.db2.gz MDEZSLFVUUMDPK-UHFFFAOYSA-N 1 0 367.523 -0.696 50 0 FBAARO Cn1ncc(N2CC[C@H](CNC(=O)C3CC[NH+](CCO)CC3)C2)cc1=O ZINC000077300806 483744056 /nfs/dbraw/zinc/74/40/56/483744056.db2.gz HRRIPTILEVCRDS-CQSZACIVSA-N 1 0 363.462 -0.573 50 0 FBAARO Cn1ncc(N2CC[C@@H](CNC(=O)C3CC[NH+](CCO)CC3)C2)cc1=O ZINC000077300809 483743983 /nfs/dbraw/zinc/74/39/83/483743983.db2.gz HRRIPTILEVCRDS-AWEZNQCLSA-N 1 0 363.462 -0.573 50 0 FBAARO CCc1noc(CN(CC)C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)n1 ZINC000077301667 483743758 /nfs/dbraw/zinc/74/37/58/483743758.db2.gz AZMFYLPPJOTCCI-UHFFFAOYSA-N 1 0 362.438 -0.209 50 0 FBAARO O=S(=O)(NCCNC[C@]1(O)C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000077319070 483743798 /nfs/dbraw/zinc/74/37/98/483743798.db2.gz NSQUDBYUCGFWCR-AWEZNQCLSA-N 1 0 363.867 -0.441 50 0 FBAARO O=S(=O)(NCCNC[C@@]1(O)C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000077319072 208896724 /nfs/dbraw/zinc/89/67/24/208896724.db2.gz NSQUDBYUCGFWCR-CQSZACIVSA-N 1 0 363.867 -0.441 50 0 FBAARO Cc1cc2n(n1)CCCN(C(=O)c1cn(CCN3CC[NH2+]CC3)nn1)C2 ZINC000077319657 483744601 /nfs/dbraw/zinc/74/46/01/483744601.db2.gz LHCMPCKYRVYWAZ-UHFFFAOYSA-N 1 0 358.450 -0.266 50 0 FBAARO CCN1CCN(C(=O)CN(C)C2CC[NH+](C)CC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077320755 483744750 /nfs/dbraw/zinc/74/47/50/483744750.db2.gz DHGKICRDNQXHPD-CVEARBPZSA-N 1 0 372.535 -0.658 50 0 FBAARO O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)N1CC(O)C1 ZINC000077323130 483744541 /nfs/dbraw/zinc/74/45/41/483744541.db2.gz UDIXBFTTZACECU-GGXPGOJBSA-N 1 0 361.442 -0.543 50 0 FBAARO O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)N1CC(O)C1 ZINC000077323131 483744694 /nfs/dbraw/zinc/74/46/94/483744694.db2.gz UDIXBFTTZACECU-MKSNKDDYSA-N 1 0 361.442 -0.543 50 0 FBAARO O=C([C@@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(O)C1 ZINC000077323133 483744634 /nfs/dbraw/zinc/74/46/34/483744634.db2.gz UDIXBFTTZACECU-FPXQBCRKSA-N 1 0 361.442 -0.543 50 0 FBAARO O=C([C@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(O)C1 ZINC000077323136 483744660 /nfs/dbraw/zinc/74/46/60/483744660.db2.gz UDIXBFTTZACECU-RCJHGTSTSA-N 1 0 361.442 -0.543 50 0 FBAARO CN1CC[N@H+](C)[C@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077342199 132182187 /nfs/dbraw/zinc/18/21/87/132182187.db2.gz BLKLYGRYAXHOMW-OAHLLOKOSA-N 1 0 374.489 -0.166 50 0 FBAARO Cc1cc(C)nc(CCNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)n1 ZINC000077355366 483745020 /nfs/dbraw/zinc/74/50/20/483745020.db2.gz NNVQFKYRAHMPNB-UHFFFAOYSA-N 1 0 358.450 -0.437 50 0 FBAARO Cn1ccnc1[C@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)C1CC1 ZINC000077355425 483744549 /nfs/dbraw/zinc/74/45/49/483744549.db2.gz PABCXQBPWVTKKB-OAHLLOKOSA-N 1 0 358.450 -0.202 50 0 FBAARO Cn1ccnc1[C@@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)C1CC1 ZINC000077355429 483744640 /nfs/dbraw/zinc/74/46/40/483744640.db2.gz PABCXQBPWVTKKB-HNNXBMFYSA-N 1 0 358.450 -0.202 50 0 FBAARO Cn1ncc(N2CC[C@H](CNC(=O)CN3CCC[N@H+](C)CC3)C2)cc1=O ZINC000077355805 483744510 /nfs/dbraw/zinc/74/45/10/483744510.db2.gz AMNZLXJNIJUSSO-OAHLLOKOSA-N 1 0 362.478 -0.640 50 0 FBAARO Cn1ncc(N2CC[C@@H](CNC(=O)CN3CCC[N@H+](C)CC3)C2)cc1=O ZINC000077355808 483744678 /nfs/dbraw/zinc/74/46/78/483744678.db2.gz AMNZLXJNIJUSSO-HNNXBMFYSA-N 1 0 362.478 -0.640 50 0 FBAARO O=C(NCCc1ccc2c(c1)OCO2)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077357693 483745007 /nfs/dbraw/zinc/74/50/07/483745007.db2.gz RPKIOJKZZCNHDO-UHFFFAOYSA-N 1 0 372.429 -0.116 50 0 FBAARO CN(CC[NH+](C)C)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 ZINC000077357707 535854770 /nfs/dbraw/zinc/85/47/70/535854770.db2.gz LFFJKIJMQDGKBR-QWHCGFSZSA-N 1 0 354.480 -0.950 50 0 FBAARO Cc1nnc(CCNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)s1 ZINC000077357947 483744630 /nfs/dbraw/zinc/74/46/30/483744630.db2.gz QACHGIWBVZPMFF-UHFFFAOYSA-N 1 0 350.452 -0.684 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](CCOCCO)CC1 ZINC000077377048 483744529 /nfs/dbraw/zinc/74/45/29/483744529.db2.gz ZZURKWXQXZOFBM-UHFFFAOYSA-N 1 0 367.494 -0.040 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)CC[NH3+])CC1 ZINC000077377736 483744644 /nfs/dbraw/zinc/74/46/44/483744644.db2.gz ADQNACKGUVOUJD-UHFFFAOYSA-N 1 0 350.467 -0.173 50 0 FBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(c2nnc[nH]2)CC1 ZINC000077378486 483744712 /nfs/dbraw/zinc/74/47/12/483744712.db2.gz SJBILAOKAAOJFM-UHFFFAOYSA-N 1 0 359.438 -0.679 50 0 FBAARO [NH3+]CCn1cc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)nn1 ZINC000077380378 221617071 /nfs/dbraw/zinc/61/70/71/221617071.db2.gz ZTWGOOXVEFDJJD-UHFFFAOYSA-N 1 0 357.330 -0.055 50 0 FBAARO O=C(NC[C@H]1COc2ccccc2O1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077386772 205594646 /nfs/dbraw/zinc/59/46/46/205594646.db2.gz ATZOUXNESVCGTK-AWEZNQCLSA-N 1 0 372.429 -0.247 50 0 FBAARO O=C(NC[C@@H]1COc2ccccc2O1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077386775 483745355 /nfs/dbraw/zinc/74/53/55/483745355.db2.gz ATZOUXNESVCGTK-CQSZACIVSA-N 1 0 372.429 -0.247 50 0 FBAARO O=C(NCc1ncc2c(n1)CCC2)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077388713 483745833 /nfs/dbraw/zinc/74/58/33/483745833.db2.gz SCQOTDLTONPBDI-UHFFFAOYSA-N 1 0 356.434 -0.608 50 0 FBAARO Cc1nn(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(=O)n1CCc1ccccc1 ZINC000077393492 483745557 /nfs/dbraw/zinc/74/55/57/483745557.db2.gz MISFCUKIDNAQEO-IRXDYDNUSA-N 1 0 373.457 -0.271 50 0 FBAARO CN(CCCc1cnn(C)c1)C(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077393862 483745748 /nfs/dbraw/zinc/74/57/48/483745748.db2.gz RXBDQFBENDHAFB-UHFFFAOYSA-N 1 0 360.466 -0.378 50 0 FBAARO C[NH2+]C1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077394296 132183468 /nfs/dbraw/zinc/18/34/68/132183468.db2.gz AFCUBZGYLQUWJG-UONOGXRCSA-N 1 0 366.491 -0.760 50 0 FBAARO Nc1cc(=O)[nH]c(CCNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n1 ZINC000077408025 483745299 /nfs/dbraw/zinc/74/52/99/483745299.db2.gz XZOBDKRNCURHAH-NSHDSACASA-N 1 0 360.422 -0.552 50 0 FBAARO Nc1cc(=O)[nH]c(CCNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)n1 ZINC000077408026 483745170 /nfs/dbraw/zinc/74/51/70/483745170.db2.gz XZOBDKRNCURHAH-LLVKDONJSA-N 1 0 360.422 -0.552 50 0 FBAARO [NH3+]C1(C(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000077419218 483745803 /nfs/dbraw/zinc/74/58/03/483745803.db2.gz IUSDTGDFDLIGHD-KGLIPLIRSA-N 1 0 350.444 -0.617 50 0 FBAARO O=S(=O)(c1ccccc1)N1CCC([NH2+]C[C@]2(O)CNCCOC2)CC1 ZINC000077419503 483745821 /nfs/dbraw/zinc/74/58/21/483745821.db2.gz TTXZGCSNHBBFCL-QGZVFWFLSA-N 1 0 369.487 -0.220 50 0 FBAARO O=S(=O)(c1ccccc1)N1CCC([NH2+]C[C@@]2(O)CNCCOC2)CC1 ZINC000077419510 483745828 /nfs/dbraw/zinc/74/58/28/483745828.db2.gz TTXZGCSNHBBFCL-KRWDZBQOSA-N 1 0 369.487 -0.220 50 0 FBAARO C[NH2+]CC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077420756 483745768 /nfs/dbraw/zinc/74/57/68/483745768.db2.gz ZMIZVKSIABQPCG-UHFFFAOYSA-N 1 0 350.467 -0.303 50 0 FBAARO Cc1nn(C)cc1NC(=O)CN1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077420916 208906474 /nfs/dbraw/zinc/90/64/74/208906474.db2.gz CCXGQMWHPVMUEI-KRWDZBQOSA-N 1 0 351.451 -0.174 50 0 FBAARO Cc1nn(C)cc1NC(=O)CN1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077420919 483745247 /nfs/dbraw/zinc/74/52/47/483745247.db2.gz CCXGQMWHPVMUEI-QGZVFWFLSA-N 1 0 351.451 -0.174 50 0 FBAARO O=C(COc1ccc2nncn2n1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077420964 483745202 /nfs/dbraw/zinc/74/52/02/483745202.db2.gz SLWVABDWJPVKIF-KRWDZBQOSA-N 1 0 360.418 -0.048 50 0 FBAARO O=C(COc1ccc2nncn2n1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077420969 483745269 /nfs/dbraw/zinc/74/52/69/483745269.db2.gz SLWVABDWJPVKIF-QGZVFWFLSA-N 1 0 360.418 -0.048 50 0 FBAARO O=C(NCCc1noc(C2CCC2)n1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077424752 483745723 /nfs/dbraw/zinc/74/57/23/483745723.db2.gz CCWZTTUAZKQPAK-UHFFFAOYSA-N 1 0 374.449 -0.194 50 0 FBAARO CN(CCO)C(=O)[C@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077428439 483745498 /nfs/dbraw/zinc/74/54/98/483745498.db2.gz GIRYHIBDXRXNMJ-RCJHGTSTSA-N 1 0 363.458 -0.295 50 0 FBAARO CN(CCO)C(=O)[C@@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077428445 483745701 /nfs/dbraw/zinc/74/57/01/483745701.db2.gz GIRYHIBDXRXNMJ-FPXQBCRKSA-N 1 0 363.458 -0.295 50 0 FBAARO CN(CCO)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077428448 483745600 /nfs/dbraw/zinc/74/56/00/483745600.db2.gz GIRYHIBDXRXNMJ-MKSNKDDYSA-N 1 0 363.458 -0.295 50 0 FBAARO CN(CCO)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077428455 483745259 /nfs/dbraw/zinc/74/52/59/483745259.db2.gz GIRYHIBDXRXNMJ-GGXPGOJBSA-N 1 0 363.458 -0.295 50 0 FBAARO CN(CC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1)C1CC[NH2+]CC1 ZINC000077436552 483746036 /nfs/dbraw/zinc/74/60/36/483746036.db2.gz DRAPVRYEOQZXCJ-CQSZACIVSA-N 1 0 362.478 -0.593 50 0 FBAARO CN(CC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1)C1CC[NH2+]CC1 ZINC000077436554 483746047 /nfs/dbraw/zinc/74/60/47/483746047.db2.gz DRAPVRYEOQZXCJ-AWEZNQCLSA-N 1 0 362.478 -0.593 50 0 FBAARO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077437319 483746384 /nfs/dbraw/zinc/74/63/84/483746384.db2.gz PNVLPNQVPGPMOY-UKRRQHHQSA-N 1 0 370.475 -0.472 50 0 FBAARO CNc1ncc(CN(C)C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)cn1 ZINC000077451892 205601054 /nfs/dbraw/zinc/60/10/54/205601054.db2.gz OVOBYWDWVGWZAY-UHFFFAOYSA-N 1 0 359.438 -0.713 50 0 FBAARO C[N@@H+]1CCCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077452268 536360992 /nfs/dbraw/zinc/36/09/92/536360992.db2.gz ZBGXVRSIAZYCJY-UONOGXRCSA-N 1 0 366.491 -0.806 50 0 FBAARO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000077452732 483746554 /nfs/dbraw/zinc/74/65/54/483746554.db2.gz KTSSUKQJLVNDNQ-OLZOCXBDSA-N 1 0 364.427 -0.977 50 0 FBAARO Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000077455098 483746075 /nfs/dbraw/zinc/74/60/75/483746075.db2.gz CSLLDJDFXKMXJD-UHFFFAOYSA-N 1 0 350.467 -0.085 50 0 FBAARO O=C(NCCc1c[nH]c(=O)[nH]c1=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077459103 483746348 /nfs/dbraw/zinc/74/63/48/483746348.db2.gz YXTXAULQPLGUJH-LBPRGKRZSA-N 1 0 361.406 -0.841 50 0 FBAARO O=C(NCCc1c[nH]c(=O)[nH]c1=O)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077459104 483746210 /nfs/dbraw/zinc/74/62/10/483746210.db2.gz YXTXAULQPLGUJH-GFCCVEGCSA-N 1 0 361.406 -0.841 50 0 FBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(Cn2ccnc2)CC1 ZINC000077469987 221630682 /nfs/dbraw/zinc/63/06/82/221630682.db2.gz YKEKNHYGRNBCNI-UHFFFAOYSA-N 1 0 372.477 -0.068 50 0 FBAARO Cc1nc(C)c(CC(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)c(=O)[nH]1 ZINC000077470064 483746565 /nfs/dbraw/zinc/74/65/65/483746565.db2.gz CSVRHXCSAGXYJD-SFHVURJKSA-N 1 0 364.446 -0.385 50 0 FBAARO Cc1nc(C)c(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)c(=O)[nH]1 ZINC000077470065 483746419 /nfs/dbraw/zinc/74/64/19/483746419.db2.gz CSVRHXCSAGXYJD-GOSISDBHSA-N 1 0 364.446 -0.385 50 0 FBAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]3C1=O ZINC000077470576 483746131 /nfs/dbraw/zinc/74/61/31/483746131.db2.gz OADASXVPEQWHKU-GGXPGOJBSA-N 1 0 363.458 -0.031 50 0 FBAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]3C1=O ZINC000077470577 483746537 /nfs/dbraw/zinc/74/65/37/483746537.db2.gz OADASXVPEQWHKU-MKSNKDDYSA-N 1 0 363.458 -0.031 50 0 FBAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@H]3C1=O ZINC000077470578 483746355 /nfs/dbraw/zinc/74/63/55/483746355.db2.gz OADASXVPEQWHKU-FPXQBCRKSA-N 1 0 363.458 -0.031 50 0 FBAARO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@H]3C1=O ZINC000077470579 483746096 /nfs/dbraw/zinc/74/60/96/483746096.db2.gz OADASXVPEQWHKU-RCJHGTSTSA-N 1 0 363.458 -0.031 50 0 FBAARO [NH3+]CC1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077470714 132186983 /nfs/dbraw/zinc/18/69/83/132186983.db2.gz AUNGYUHSFZABAI-UONOGXRCSA-N 1 0 366.491 -0.773 50 0 FBAARO [NH3+]CCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)nn1 ZINC000077471559 483747247 /nfs/dbraw/zinc/74/72/47/483747247.db2.gz OSHWCRZLHCEGSI-UHFFFAOYSA-N 1 0 372.838 -0.402 50 0 FBAARO CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C[C@]1(O)CC[NH2+]C1)CC2 ZINC000077471929 221633309 /nfs/dbraw/zinc/63/33/09/221633309.db2.gz YJXKFTOTHWUQLJ-SFHVURJKSA-N 1 0 360.462 -0.163 50 0 FBAARO CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C[C@@]1(O)CC[NH2+]C1)CC2 ZINC000077471930 483747239 /nfs/dbraw/zinc/74/72/39/483747239.db2.gz YJXKFTOTHWUQLJ-GOSISDBHSA-N 1 0 360.462 -0.163 50 0 FBAARO CCc1nnc(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)s1 ZINC000077471990 483747233 /nfs/dbraw/zinc/74/72/33/483747233.db2.gz KNNKYAAXRRATTR-UHFFFAOYSA-N 1 0 350.452 -0.473 50 0 FBAARO C[C@@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 ZINC000077472241 483746838 /nfs/dbraw/zinc/74/68/38/483746838.db2.gz LBQJMVBUYUQTKR-GFCCVEGCSA-N 1 0 353.444 -0.061 50 0 FBAARO [NH3+]CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCOC3)ccc2C1 ZINC000077472250 483746991 /nfs/dbraw/zinc/74/69/91/483746991.db2.gz WOGVLWJJYZXJRO-CQSZACIVSA-N 1 0 353.444 -0.013 50 0 FBAARO [NH3+]CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCOC3)ccc2C1 ZINC000077472253 483746918 /nfs/dbraw/zinc/74/69/18/483746918.db2.gz WOGVLWJJYZXJRO-AWEZNQCLSA-N 1 0 353.444 -0.013 50 0 FBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC[C@H]1Cn1cccn1 ZINC000077485476 483746726 /nfs/dbraw/zinc/74/67/26/483746726.db2.gz HQKCXFWRXQTVAS-HNNXBMFYSA-N 1 0 358.450 -0.315 50 0 FBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC[C@@H]1Cn1cccn1 ZINC000077485477 483747009 /nfs/dbraw/zinc/74/70/09/483747009.db2.gz HQKCXFWRXQTVAS-OAHLLOKOSA-N 1 0 358.450 -0.315 50 0 FBAARO [NH3+]C1(C(=O)N2CCN(Cc3ccccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000077485652 483746810 /nfs/dbraw/zinc/74/68/10/483746810.db2.gz ZQPKVRYCLJCJTE-KGLIPLIRSA-N 1 0 350.444 -0.617 50 0 FBAARO C[C@@H](C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)[NH+]1CCN(C)CC1 ZINC000077486150 483747119 /nfs/dbraw/zinc/74/71/19/483747119.db2.gz SCYNYYLTKSVPNJ-AWEZNQCLSA-N 1 0 363.462 -0.589 50 0 FBAARO C[C@H](C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)[NH+]1CCN(C)CC1 ZINC000077486152 483747135 /nfs/dbraw/zinc/74/71/35/483747135.db2.gz SCYNYYLTKSVPNJ-CQSZACIVSA-N 1 0 363.462 -0.589 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000077487221 483746739 /nfs/dbraw/zinc/74/67/39/483746739.db2.gz OOYUOTXZTIWLOC-UHFFFAOYSA-N 1 0 362.478 -0.031 50 0 FBAARO O=C(NCCn1cc(Cl)cn1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077487292 483746970 /nfs/dbraw/zinc/74/69/70/483746970.db2.gz QGDSAMYXAFRSHI-UHFFFAOYSA-N 1 0 352.830 -0.537 50 0 FBAARO CC[NH+]1CCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077503662 132187641 /nfs/dbraw/zinc/18/76/41/132187641.db2.gz AZZRWHYCZOXYHN-UONOGXRCSA-N 1 0 366.491 -0.806 50 0 FBAARO CC(C)[NH+]1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000077503723 483746696 /nfs/dbraw/zinc/74/66/96/483746696.db2.gz QXKMEQXVRQZZPJ-UHFFFAOYSA-N 1 0 368.478 -0.182 50 0 FBAARO O=C(NCC1(Cn2cccn2)CC1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077504595 483746934 /nfs/dbraw/zinc/74/69/34/483746934.db2.gz UQNQLUSSMOJVGD-UHFFFAOYSA-N 1 0 358.450 -0.410 50 0 FBAARO CN(CCC[NH+](C)C)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 ZINC000077504760 132187556 /nfs/dbraw/zinc/18/75/56/132187556.db2.gz NQKZUOVGDDJZJQ-UONOGXRCSA-N 1 0 368.507 -0.560 50 0 FBAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000077504764 483746923 /nfs/dbraw/zinc/74/69/23/483746923.db2.gz MTAXGPXDXSHUAQ-UHFFFAOYSA-N 1 0 368.478 -0.180 50 0 FBAARO CNC(=O)c1ccc(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)o1 ZINC000077505300 483747061 /nfs/dbraw/zinc/74/70/61/483747061.db2.gz KSQSJPCSDCUSGP-UHFFFAOYSA-N 1 0 361.406 -0.934 50 0 FBAARO CCc1c(C)nn(CCNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)c1C ZINC000077505750 221637763 /nfs/dbraw/zinc/63/77/63/221637763.db2.gz INVBWYMRBUGNOU-UHFFFAOYSA-N 1 0 374.493 -0.011 50 0 FBAARO COC[C@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)c1ccccn1 ZINC000077516377 205608306 /nfs/dbraw/zinc/60/83/06/205608306.db2.gz UWHQHZGXWZPLEM-INIZCTEOSA-N 1 0 359.434 -0.304 50 0 FBAARO COC[C@@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)c1ccccn1 ZINC000077516379 483747150 /nfs/dbraw/zinc/74/71/50/483747150.db2.gz UWHQHZGXWZPLEM-MRXNPFEDSA-N 1 0 359.434 -0.304 50 0 FBAARO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077520156 132188809 /nfs/dbraw/zinc/18/88/09/132188809.db2.gz ZLYQUMPHGLCHOQ-OAHLLOKOSA-N 1 0 374.489 -0.166 50 0 FBAARO C[NH+](C)[C@H]1CCN(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077520160 132188868 /nfs/dbraw/zinc/18/88/68/132188868.db2.gz ZLYQUMPHGLCHOQ-HNNXBMFYSA-N 1 0 374.489 -0.166 50 0 FBAARO CSc1ncc(CNC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)n1C ZINC000077520877 483746769 /nfs/dbraw/zinc/74/67/69/483746769.db2.gz SBQROBHTCWXSCK-UHFFFAOYSA-N 1 0 364.479 -0.431 50 0 FBAARO O=C(NC[C@@H](O)c1cccc(F)c1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077525259 483747225 /nfs/dbraw/zinc/74/72/25/483747225.db2.gz RSLYKQADGQUOHA-MRXNPFEDSA-N 1 0 362.409 -0.214 50 0 FBAARO O=C(NC[C@H](O)c1cccc(F)c1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077525265 483747192 /nfs/dbraw/zinc/74/71/92/483747192.db2.gz RSLYKQADGQUOHA-INIZCTEOSA-N 1 0 362.409 -0.214 50 0 FBAARO O=C(N[C@@H]1COc2ccccc2C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077535019 483747065 /nfs/dbraw/zinc/74/70/65/483747065.db2.gz TZIJLICFCVZHKB-HNNXBMFYSA-N 1 0 356.430 -0.083 50 0 FBAARO O=C(N[C@H]1COc2ccccc2C1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077535022 483747114 /nfs/dbraw/zinc/74/71/14/483747114.db2.gz TZIJLICFCVZHKB-OAHLLOKOSA-N 1 0 356.430 -0.083 50 0 FBAARO Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](CCC(N)=O)CC1 ZINC000077540134 483746861 /nfs/dbraw/zinc/74/68/61/483746861.db2.gz AHPQJBHPWDHMJJ-UHFFFAOYSA-N 1 0 350.467 -0.173 50 0 FBAARO CC[NH+]1CCN(CC(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000077540315 483746720 /nfs/dbraw/zinc/74/67/20/483746720.db2.gz ADKJRZURPUORBT-HNNXBMFYSA-N 1 0 362.478 -0.640 50 0 FBAARO CC[NH+]1CCN(CC(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000077540322 483747325 /nfs/dbraw/zinc/74/73/25/483747325.db2.gz ADKJRZURPUORBT-OAHLLOKOSA-N 1 0 362.478 -0.640 50 0 FBAARO CC(=O)N1CCC([NH2+]CC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077555251 132189503 /nfs/dbraw/zinc/18/95/03/132189503.db2.gz JMDRWUZDJDTMLO-QGZVFWFLSA-N 1 0 363.462 -0.024 50 0 FBAARO CC(=O)N1CCC([NH2+]CC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077555256 132189416 /nfs/dbraw/zinc/18/94/16/132189416.db2.gz JMDRWUZDJDTMLO-KRWDZBQOSA-N 1 0 363.462 -0.024 50 0 FBAARO C[NH+](C)CCN1CC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)OC1=O ZINC000077555646 483747658 /nfs/dbraw/zinc/74/76/58/483747658.db2.gz XJYJOTJYVWOGIM-ZDUSSCGKSA-N 1 0 367.450 -0.096 50 0 FBAARO C[NH+](C)CCN1CC2(CCN(C(=O)[C@H]3CCCN3C(N)=O)CC2)OC1=O ZINC000077555650 483747705 /nfs/dbraw/zinc/74/77/05/483747705.db2.gz XJYJOTJYVWOGIM-CYBMUJFWSA-N 1 0 367.450 -0.096 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077555722 221645023 /nfs/dbraw/zinc/64/50/23/221645023.db2.gz KYDIOKLOLAZTCH-RISCZKNCSA-N 1 0 358.464 -0.291 50 0 FBAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556518 483747759 /nfs/dbraw/zinc/74/77/59/483747759.db2.gz LMLKLXPLQFENNP-UHFFFAOYSA-N 1 0 370.417 -0.717 50 0 FBAARO Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)no1 ZINC000081358251 526862832 /nfs/dbraw/zinc/86/28/32/526862832.db2.gz AALZRJVLAINZQE-CQSZACIVSA-N 1 0 364.450 -0.568 50 0 FBAARO Cc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)no1 ZINC000081358252 526863619 /nfs/dbraw/zinc/86/36/19/526863619.db2.gz AALZRJVLAINZQE-AWEZNQCLSA-N 1 0 364.450 -0.568 50 0 FBAARO [NH3+]C[C@H]1O[C@@H](n2cnc3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000082049647 527241735 /nfs/dbraw/zinc/24/17/35/527241735.db2.gz GHSSKLIKSJXMME-NOSJPKONSA-N 1 0 358.402 -0.488 50 0 FBAARO [NH3+]C[C@H]1O[C@@H](n2cnc3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000082049649 527242133 /nfs/dbraw/zinc/24/21/33/527242133.db2.gz GHSSKLIKSJXMME-WDGOXLLCSA-N 1 0 358.402 -0.488 50 0 FBAARO O=C1COc2ccc(S(=O)(=O)NCc3cc4n(n3)CC[NH2+]C4)cc2N1 ZINC000082096431 483760084 /nfs/dbraw/zinc/76/00/84/483760084.db2.gz KMXCXTLWNLLWOD-UHFFFAOYSA-N 1 0 363.399 -0.204 50 0 FBAARO CC[NH+]1CCC(C(=O)N2CCN(CCOC)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000082098889 483760029 /nfs/dbraw/zinc/76/00/29/483760029.db2.gz GSTVTXQHZDUQRY-CVEARBPZSA-N 1 0 373.519 -0.326 50 0 FBAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)n(C)c3=O)cc2C1 ZINC000082106341 519854703 /nfs/dbraw/zinc/85/47/03/519854703.db2.gz NHZYBDOKZGLFKV-UHFFFAOYSA-N 1 0 374.445 -0.255 50 0 FBAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082107693 526968007 /nfs/dbraw/zinc/96/80/07/526968007.db2.gz FJOZYGXBWZVJKZ-UHFFFAOYSA-N 1 0 370.461 -0.233 50 0 FBAARO Cn1c2ccc(S(=O)(=O)NCc3cc4n(n3)CC[NH2+]C4)cc2oc1=O ZINC000082109141 221702171 /nfs/dbraw/zinc/70/21/71/221702171.db2.gz PTVHNZDGYYEXQX-UHFFFAOYSA-N 1 0 363.399 -0.090 50 0 FBAARO NC(=O)CCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082114789 483759740 /nfs/dbraw/zinc/75/97/40/483759740.db2.gz QKAFVUPBGNHPSZ-HNNXBMFYSA-N 1 0 352.479 -0.103 50 0 FBAARO NC(=O)CCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082114791 483759685 /nfs/dbraw/zinc/75/96/85/483759685.db2.gz QKAFVUPBGNHPSZ-OAHLLOKOSA-N 1 0 352.479 -0.103 50 0 FBAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)[nH]c3=O)cc2C1 ZINC000082126975 519722946 /nfs/dbraw/zinc/72/29/46/519722946.db2.gz ZNIDOYWTPMMBDG-UHFFFAOYSA-N 1 0 374.445 -0.020 50 0 FBAARO NC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082134418 205646706 /nfs/dbraw/zinc/64/67/06/205646706.db2.gz XXOZVAGKTCEVBL-CQSZACIVSA-N 1 0 365.478 -0.020 50 0 FBAARO NC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082134421 526930442 /nfs/dbraw/zinc/93/04/42/526930442.db2.gz XXOZVAGKTCEVBL-AWEZNQCLSA-N 1 0 365.478 -0.020 50 0 FBAARO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136692 483760110 /nfs/dbraw/zinc/76/01/10/483760110.db2.gz LXLPIDMURXVYBQ-AWEZNQCLSA-N 1 0 359.492 -0.019 50 0 FBAARO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136693 483759906 /nfs/dbraw/zinc/75/99/06/483759906.db2.gz LXLPIDMURXVYBQ-CQSZACIVSA-N 1 0 359.492 -0.019 50 0 FBAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082138600 525096465 /nfs/dbraw/zinc/09/64/65/525096465.db2.gz FTTXHISXIIZBDU-UHFFFAOYSA-N 1 0 365.415 -0.428 50 0 FBAARO Nc1nnnn1CC(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082156964 527578922 /nfs/dbraw/zinc/57/89/22/527578922.db2.gz UPACWELVKKAGAT-UHFFFAOYSA-N 1 0 359.438 -0.084 50 0 FBAARO Cc1cn(CC(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)c(=O)[nH]c1=O ZINC000082158189 525910097 /nfs/dbraw/zinc/91/00/97/525910097.db2.gz MLPUCAGBQMIXPK-UHFFFAOYSA-N 1 0 374.445 -0.170 50 0 FBAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2C1 ZINC000082160522 519723391 /nfs/dbraw/zinc/72/33/91/519723391.db2.gz IKFMVJKLCFFNDA-UHFFFAOYSA-N 1 0 374.445 -0.089 50 0 FBAARO CNC(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082170734 483760340 /nfs/dbraw/zinc/76/03/40/483760340.db2.gz SKDLIDPESOUEPQ-HNNXBMFYSA-N 1 0 352.479 -0.232 50 0 FBAARO CNC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082170736 205647267 /nfs/dbraw/zinc/64/72/67/205647267.db2.gz SKDLIDPESOUEPQ-OAHLLOKOSA-N 1 0 352.479 -0.232 50 0 FBAARO [NH3+]CCOCCOCCOCCOCCOCCOCCOCCO ZINC000083253921 484080356 /nfs/dbraw/zinc/08/03/56/484080356.db2.gz DGWYLEGXXDZPEY-UHFFFAOYSA-N 1 0 369.455 -0.946 50 0 FBAARO Cn1c2ncn(CC(=O)N3CC[N@H+](C)CC34CCCC4)c2c(=O)n(C)c1=O ZINC000085558059 484175897 /nfs/dbraw/zinc/17/58/97/484175897.db2.gz LHBWOBLTLQUXAC-UHFFFAOYSA-N 1 0 374.445 -0.480 50 0 FBAARO CC[N@@H+]1CCc2[nH]cnc2C12CCN(C(=O)Cc1[nH]c(O)nc1O)CC2 ZINC000091289509 521723500 /nfs/dbraw/zinc/72/35/00/521723500.db2.gz LWRGCSCAYWXJPI-GFCCVEGCSA-N 1 0 360.418 -0.297 50 0 FBAARO CC[N@@H+]1CCc2[nH]cnc2C12CCN(C(=O)Cc1[nH]c(O)nc1O)CC2 ZINC000091289510 521723705 /nfs/dbraw/zinc/72/37/05/521723705.db2.gz LWRGCSCAYWXJPI-LBPRGKRZSA-N 1 0 360.418 -0.297 50 0 FBAARO O=C(CCc1cc2n(n1)CCN(C(=O)[C@@H]1C[NH2+]CCO1)C2)N1CCCC1 ZINC000091303966 483793846 /nfs/dbraw/zinc/79/38/46/483793846.db2.gz UZDIHDCXLOPBDF-INIZCTEOSA-N 1 0 361.446 -0.231 50 0 FBAARO O=C(CCc1cc2n(n1)CCN(C(=O)[C@H]1C[NH2+]CCO1)C2)N1CCCC1 ZINC000091303971 526584321 /nfs/dbraw/zinc/58/43/21/526584321.db2.gz UZDIHDCXLOPBDF-MRXNPFEDSA-N 1 0 361.446 -0.231 50 0 FBAARO O=C(N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 ZINC000091305102 527053355 /nfs/dbraw/zinc/05/33/55/527053355.db2.gz FPTLIDNDDWQEKP-AWEZNQCLSA-N 1 0 363.443 -0.047 50 0 FBAARO COCCN1CCC[C@]2(CCN(C(=O)c3cn(CC[NH3+])nn3)C2)C1=O ZINC000091320531 208974400 /nfs/dbraw/zinc/97/44/00/208974400.db2.gz HSZAUALXYNVKLK-MRXNPFEDSA-N 1 0 350.423 -0.662 50 0 FBAARO COCCN1CCC[C@@]2(CCN(C(=O)c3cn(CC[NH3+])nn3)C2)C1=O ZINC000091320535 208973201 /nfs/dbraw/zinc/97/32/01/208973201.db2.gz HSZAUALXYNVKLK-INIZCTEOSA-N 1 0 350.423 -0.662 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000091321034 526883153 /nfs/dbraw/zinc/88/31/53/526883153.db2.gz DLAMWWQBIIJAKK-CYBMUJFWSA-N 1 0 350.394 -0.131 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000091321035 526883839 /nfs/dbraw/zinc/88/38/39/526883839.db2.gz DLAMWWQBIIJAKK-ZDUSSCGKSA-N 1 0 350.394 -0.131 50 0 FBAARO CCc1noc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000091327088 483794339 /nfs/dbraw/zinc/79/43/39/483794339.db2.gz CJLAZJNGIPLSHV-OLZOCXBDSA-N 1 0 365.434 -0.625 50 0 FBAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000091350886 483794346 /nfs/dbraw/zinc/79/43/46/483794346.db2.gz OBGALHWEPAOXAQ-VXGBXAGGSA-N 1 0 360.414 -0.151 50 0 FBAARO Cc1nonc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CCO)CC2 ZINC000091364741 483794620 /nfs/dbraw/zinc/79/46/20/483794620.db2.gz SQKPTDIDIZGLNR-INIZCTEOSA-N 1 0 351.407 -0.491 50 0 FBAARO Cc1nonc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CCO)CC2 ZINC000091364742 483794328 /nfs/dbraw/zinc/79/43/28/483794328.db2.gz SQKPTDIDIZGLNR-MRXNPFEDSA-N 1 0 351.407 -0.491 50 0 FBAARO COCC[N@@H+]1C[C@H](NC(=O)CNS(C)(=O)=O)[C@@H](c2ccc(C)o2)C1 ZINC000091390764 483794518 /nfs/dbraw/zinc/79/45/18/483794518.db2.gz MYWHWQZWVDIQQB-STQMWFEESA-N 1 0 359.448 -0.332 50 0 FBAARO CC(C)c1nc(CN(C)C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)no1 ZINC000091391051 519861361 /nfs/dbraw/zinc/86/13/61/519861361.db2.gz CNZIAXMPPBKFFO-UHFFFAOYSA-N 1 0 362.438 -0.038 50 0 FBAARO CCC[C@H]1C[N@H+](CCCO)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000091391322 521217527 /nfs/dbraw/zinc/21/75/27/521217527.db2.gz ZAIHFKQEWLJTBB-STQMWFEESA-N 1 0 352.435 -0.703 50 0 FBAARO CNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c1 ZINC000091416517 483794440 /nfs/dbraw/zinc/79/44/40/483794440.db2.gz AYTBBDAKLQDBBI-BBRMVZONSA-N 1 0 353.444 -0.219 50 0 FBAARO O=C(CCn1ccc(=O)[nH]c1=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091416641 483794395 /nfs/dbraw/zinc/79/43/95/483794395.db2.gz HPAPQYOMEVRTHV-ZIAGYGMSSA-N 1 0 350.419 -0.911 50 0 FBAARO Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(S(C)(=O)=O)CC1 ZINC000091426431 483794756 /nfs/dbraw/zinc/79/47/56/483794756.db2.gz SMAOEKKOVXAAFM-UHFFFAOYSA-N 1 0 356.496 -0.299 50 0 FBAARO C[NH+](C)CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091427068 483794705 /nfs/dbraw/zinc/79/47/05/483794705.db2.gz HUTKOCCEWFZPQC-UHFFFAOYSA-N 1 0 369.491 -0.003 50 0 FBAARO CC[N@H+](C)C[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@@H]1CO ZINC000091440289 483794752 /nfs/dbraw/zinc/79/47/52/483794752.db2.gz NCQVMYLJCLZAPM-HUUCEWRRSA-N 1 0 363.462 -0.055 50 0 FBAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1CO ZINC000091444463 522884047 /nfs/dbraw/zinc/88/40/47/522884047.db2.gz HPRFSWBKDBLCKT-ZIAGYGMSSA-N 1 0 351.451 -0.391 50 0 FBAARO C[NH2+]CCN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1 ZINC000091444695 483794255 /nfs/dbraw/zinc/79/42/55/483794255.db2.gz WLGUTYYCUIPWRF-CQSZACIVSA-N 1 0 368.459 -0.465 50 0 FBAARO C[NH2+]CCN(C)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1 ZINC000091444696 483794768 /nfs/dbraw/zinc/79/47/68/483794768.db2.gz WLGUTYYCUIPWRF-AWEZNQCLSA-N 1 0 368.459 -0.465 50 0 FBAARO Cn1cc(CNS(=O)(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000091445235 527219560 /nfs/dbraw/zinc/21/95/60/527219560.db2.gz KCHALRYOKGSIMW-AWEZNQCLSA-N 1 0 363.443 -0.010 50 0 FBAARO CCN1CC[C@]2(CN(Cc3nc(C(=O)NC)no3)CC[N@@H+]2C)CCC1=O ZINC000091452169 483794699 /nfs/dbraw/zinc/79/46/99/483794699.db2.gz AVXICIGRKLHPCC-KRWDZBQOSA-N 1 0 364.450 -0.052 50 0 FBAARO CCN1CC[C@@]2(CN(Cc3nc(C(=O)NC)no3)CC[N@@H+]2C)CCC1=O ZINC000091452170 483794298 /nfs/dbraw/zinc/79/42/98/483794298.db2.gz AVXICIGRKLHPCC-QGZVFWFLSA-N 1 0 364.450 -0.052 50 0 FBAARO CCC[C@H]1C[N@H+](Cc2[nH]cnc2C)C[C@@H]1NC(=O)CNS(C)(=O)=O ZINC000091452510 521220722 /nfs/dbraw/zinc/22/07/22/521220722.db2.gz CUNQANVWKQKXCR-JSGCOSHPSA-N 1 0 357.480 -0.016 50 0 FBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000091459310 483794611 /nfs/dbraw/zinc/79/46/11/483794611.db2.gz UCWCOBRRGSXCBY-CYBMUJFWSA-N 1 0 361.446 -0.132 50 0 FBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000091459311 483794311 /nfs/dbraw/zinc/79/43/11/483794311.db2.gz UCWCOBRRGSXCBY-ZDUSSCGKSA-N 1 0 361.446 -0.132 50 0 FBAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1CO ZINC000091462063 523620657 /nfs/dbraw/zinc/62/06/57/523620657.db2.gz MCJSJAQMGIPRDH-HUUCEWRRSA-N 1 0 351.447 -0.048 50 0 FBAARO Cc1nnc(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)[nH]1 ZINC000091468251 526806425 /nfs/dbraw/zinc/80/64/25/526806425.db2.gz KBHQKOOWWNNCRE-HUUCEWRRSA-N 1 0 350.467 -0.640 50 0 FBAARO C[N@@H+]1CCCN(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2CO)CC1 ZINC000091486421 483794456 /nfs/dbraw/zinc/79/44/56/483794456.db2.gz LYKPTDLGKYZOQH-CHWSQXEVSA-N 1 0 353.492 -0.076 50 0 FBAARO Cc1cc(C[N@@H+]2C[C@H](NC(=O)CNS(C)(=O)=O)[C@@H](C3CC3)C2)on1 ZINC000091492977 524716764 /nfs/dbraw/zinc/71/67/64/524716764.db2.gz QYJXAUSDEYLQSK-KGLIPLIRSA-N 1 0 356.448 -0.141 50 0 FBAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091493861 524968442 /nfs/dbraw/zinc/96/84/42/524968442.db2.gz HMBCTDJIVBFALW-QKPAOTATSA-N 1 0 351.451 -0.156 50 0 FBAARO Cn1nc2c(c1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1)CCCC2 ZINC000091503779 522883234 /nfs/dbraw/zinc/88/32/34/522883234.db2.gz PNHHMLRTSPWYSP-ZIAGYGMSSA-N 1 0 350.463 -0.097 50 0 FBAARO CCCC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(=O)NCC ZINC000091518600 483795395 /nfs/dbraw/zinc/79/53/95/483795395.db2.gz VUCFYELEIRJLGP-YPMHNXCESA-N 1 0 365.434 -0.818 50 0 FBAARO CC(C)([NH3+])C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091519405 483795494 /nfs/dbraw/zinc/79/54/94/483795494.db2.gz JOEPVBZHYXHEBQ-UHFFFAOYSA-N 1 0 355.464 -0.218 50 0 FBAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@@H]1CO ZINC000091551575 522883577 /nfs/dbraw/zinc/88/35/77/522883577.db2.gz BZKWIYZKCCNWFT-CHWSQXEVSA-N 1 0 360.414 -0.472 50 0 FBAARO NS(=O)(=O)CCCC(=O)N[C@H]1C[N@H+](CCO)C[C@@H]1c1ccccc1 ZINC000091563311 657477486 /nfs/dbraw/zinc/47/74/86/657477486.db2.gz LYCFMQLBEQLWRI-CABCVRRESA-N 1 0 355.460 -0.368 50 0 FBAARO CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1C ZINC000091563460 483795094 /nfs/dbraw/zinc/79/50/94/483795094.db2.gz KDYYTGVYIADFGP-HZPDHXFCSA-N 1 0 366.462 -0.306 50 0 FBAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1CO ZINC000091574395 522884690 /nfs/dbraw/zinc/88/46/90/522884690.db2.gz SWDFCSYIKCHTLC-VXGBXAGGSA-N 1 0 366.443 -0.639 50 0 FBAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1CO ZINC000091575445 521119423 /nfs/dbraw/zinc/11/94/23/521119423.db2.gz QVCOVJUJXLFVGW-HUUCEWRRSA-N 1 0 361.446 -0.188 50 0 FBAARO Cc1cn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)c(=O)[nH]c1=O ZINC000091586032 483795501 /nfs/dbraw/zinc/79/55/01/483795501.db2.gz RKUNVZSQCHFUJQ-UHFFFAOYSA-N 1 0 372.429 -0.426 50 0 FBAARO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091586796 483795445 /nfs/dbraw/zinc/79/54/45/483795445.db2.gz XKKCLPZEUIOUDC-ZIAGYGMSSA-N 1 0 372.425 -0.007 50 0 FBAARO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000091593130 483794980 /nfs/dbraw/zinc/79/49/80/483794980.db2.gz IDKMDKUPXWMEFD-OKILXGFUSA-N 1 0 353.444 -0.124 50 0 FBAARO NS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@H+](CCO)C[C@@H]2C2CC2)c1 ZINC000091593582 661812228 /nfs/dbraw/zinc/81/22/28/661812228.db2.gz KJEDIOFYOMSVNY-CABCVRRESA-N 1 0 353.444 -0.234 50 0 FBAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 ZINC000091594468 483795037 /nfs/dbraw/zinc/79/50/37/483795037.db2.gz BNDSSPWHPJAIBQ-UONOGXRCSA-N 1 0 353.444 -0.076 50 0 FBAARO CCn1cnnc1CCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091594766 523584704 /nfs/dbraw/zinc/58/47/04/523584704.db2.gz NWPXMFYGGOBDDA-KGLIPLIRSA-N 1 0 364.450 -0.959 50 0 FBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@@H]2CO)CC1 ZINC000091595753 483795484 /nfs/dbraw/zinc/79/54/84/483795484.db2.gz UYGHDAIMBGHTIL-HUUCEWRRSA-N 1 0 359.434 -0.948 50 0 FBAARO Nc1nnc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000091596134 527577443 /nfs/dbraw/zinc/57/74/43/527577443.db2.gz KNDZHJYCUYXFML-MNOVXSKESA-N 1 0 352.464 -0.373 50 0 FBAARO O=C(NCc1nnc2ccccn21)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091602884 526836465 /nfs/dbraw/zinc/83/64/65/526836465.db2.gz KJECOONNQDZJQH-ZIAGYGMSSA-N 1 0 372.429 -0.570 50 0 FBAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)CC1 ZINC000091620400 523806427 /nfs/dbraw/zinc/80/64/27/523806427.db2.gz ODLSTOOHBJEAOF-HZPDHXFCSA-N 1 0 350.467 -0.627 50 0 FBAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@@H]1CO ZINC000091624845 483795418 /nfs/dbraw/zinc/79/54/18/483795418.db2.gz NDNKUCIXARWYAG-GHMZBOCLSA-N 1 0 359.423 -0.285 50 0 FBAARO Cc1nnc(CNS(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)[nH]1 ZINC000091624998 483794876 /nfs/dbraw/zinc/79/48/76/483794876.db2.gz JQFTVJVEVQMJJD-LBPRGKRZSA-N 1 0 364.431 -0.235 50 0 FBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000091625998 221773915 /nfs/dbraw/zinc/77/39/15/221773915.db2.gz RQLKQKYZLHATIL-GFCCVEGCSA-N 1 0 367.475 -0.345 50 0 FBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000091625999 483795219 /nfs/dbraw/zinc/79/52/19/483795219.db2.gz RQLKQKYZLHATIL-LBPRGKRZSA-N 1 0 367.475 -0.345 50 0 FBAARO Nc1nnc(SCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])s1 ZINC000091636138 527189340 /nfs/dbraw/zinc/18/93/40/527189340.db2.gz ZZLAZORETGNZHO-ZJUUUORDSA-N 1 0 373.504 -0.070 50 0 FBAARO Cc1nc(C2CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)cc(=O)[nH]1 ZINC000091637019 526779236 /nfs/dbraw/zinc/77/92/36/526779236.db2.gz UKQTUOQEBFSEQC-AWEZNQCLSA-N 1 0 361.446 -0.018 50 0 FBAARO CCN(C)S(=O)(=O)N[C@H]1C[N@H+](CCCn2cnnn2)C[C@@H]1C(C)C ZINC000091644437 520265161 /nfs/dbraw/zinc/26/51/61/520265161.db2.gz CEQTVSVOMGKRCP-KGLIPLIRSA-N 1 0 359.500 -0.194 50 0 FBAARO CN1CCC[N@H+](C[C@H]2C[C@@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091645923 523806757 /nfs/dbraw/zinc/80/67/57/523806757.db2.gz JOFATUMMINCEMB-HZPDHXFCSA-N 1 0 350.467 -0.627 50 0 FBAARO Cc1nc(CNS(=O)(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)no1 ZINC000091655890 526889678 /nfs/dbraw/zinc/88/96/78/526889678.db2.gz FRFZYFMRSULMQM-LBPRGKRZSA-N 1 0 365.415 -0.052 50 0 FBAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC000091655912 483796114 /nfs/dbraw/zinc/79/61/14/483796114.db2.gz CTLGNSDCNGFWEU-UHFFFAOYSA-N 1 0 372.429 -0.275 50 0 FBAARO COc1cccc([C@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H]2[NH3+])c1 ZINC000091657182 524179670 /nfs/dbraw/zinc/17/96/70/524179670.db2.gz BLDHMFIVHSPAGE-CABCVRRESA-N 1 0 358.398 -0.111 50 0 FBAARO Cn1cnnc1CCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000091663335 527521322 /nfs/dbraw/zinc/52/13/22/527521322.db2.gz OWFILDXSQNFPFA-HUUCEWRRSA-N 1 0 350.467 -0.938 50 0 FBAARO CN1CCC[N@H+](C[C@H]2C[C@H](CO)CN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC000091663963 483795848 /nfs/dbraw/zinc/79/58/48/483795848.db2.gz ZDBOPKHDXFRBPI-CABCVRRESA-N 1 0 352.479 -0.654 50 0 FBAARO NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@H+](CCO)C[C@@H]2C2CC2)cc1 ZINC000091664220 483796108 /nfs/dbraw/zinc/79/61/08/483796108.db2.gz QUGPTIQCPJVOSR-CABCVRRESA-N 1 0 353.444 -0.234 50 0 FBAARO CS(=O)(=O)NCCC(=O)N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091664534 483795833 /nfs/dbraw/zinc/79/58/33/483795833.db2.gz VHSDWSFISQBJAQ-CABCVRRESA-N 1 0 359.492 -0.069 50 0 FBAARO Cc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)n1 ZINC000091665285 132203090 /nfs/dbraw/zinc/20/30/90/132203090.db2.gz YBHXZQCUXXJJCR-OAHLLOKOSA-N 1 0 360.462 -0.061 50 0 FBAARO Cc1cc(C)nc(N2CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)n1 ZINC000091665286 132203151 /nfs/dbraw/zinc/20/31/51/132203151.db2.gz YBHXZQCUXXJJCR-HNNXBMFYSA-N 1 0 360.462 -0.061 50 0 FBAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)CC2 ZINC000091679222 483796044 /nfs/dbraw/zinc/79/60/44/483796044.db2.gz CABAEPOVIDEMQN-UHFFFAOYSA-N 1 0 372.429 -0.194 50 0 FBAARO Cc1ccc([C@H]2C[N@H+](CCO)C[C@@H]2NC(=O)CN2C(=O)CNC2=O)o1 ZINC000091679752 526024374 /nfs/dbraw/zinc/02/43/74/526024374.db2.gz RCGLSTFGFYDNRH-RYUDHWBXSA-N 1 0 350.375 -0.984 50 0 FBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000091693537 483795895 /nfs/dbraw/zinc/79/58/95/483795895.db2.gz IGLIUCSWJLSXKN-ZDUSSCGKSA-N 1 0 367.475 -0.203 50 0 FBAARO CNC(=O)c1cc2c(n1C)CN(C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)CC2 ZINC000091694741 484673042 /nfs/dbraw/zinc/67/30/42/484673042.db2.gz BPHGAWNULOCRLS-CYBMUJFWSA-N 1 0 361.446 -0.533 50 0 FBAARO CNC(=O)c1cc2c(n1C)CN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)CC2 ZINC000091694742 484672624 /nfs/dbraw/zinc/67/26/24/484672624.db2.gz BPHGAWNULOCRLS-ZDUSSCGKSA-N 1 0 361.446 -0.533 50 0 FBAARO CC(C)n1cnnc1CNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091695010 520057345 /nfs/dbraw/zinc/05/73/45/520057345.db2.gz LPZBGWAALGKIQP-ZIAGYGMSSA-N 1 0 364.450 -0.440 50 0 FBAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1ccc(=O)[nH]c1=O)C2 ZINC000091707968 523887361 /nfs/dbraw/zinc/88/73/61/523887361.db2.gz CIGADDQQHFDQTB-ZIAGYGMSSA-N 1 0 350.419 -0.504 50 0 FBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000091708149 483796075 /nfs/dbraw/zinc/79/60/75/483796075.db2.gz IGLIUCSWJLSXKN-CYBMUJFWSA-N 1 0 367.475 -0.203 50 0 FBAARO O=C(c1c[nH]nc1-n1cnnn1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091724665 208991874 /nfs/dbraw/zinc/99/18/74/208991874.db2.gz YBWLVHTZPVOAQJ-CHWSQXEVSA-N 1 0 360.422 -0.448 50 0 FBAARO O=C(CN1C(=O)CNC1=O)N[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091725284 483795886 /nfs/dbraw/zinc/79/58/86/483795886.db2.gz AYLVRAPNGTXWAS-KGLIPLIRSA-N 1 0 350.419 -0.456 50 0 FBAARO COCc1noc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000091745852 483795691 /nfs/dbraw/zinc/79/56/91/483795691.db2.gz XYUBGEVKZVAROY-OLZOCXBDSA-N 1 0 365.434 -0.277 50 0 FBAARO Nc1nc(NCCO)cc(N2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)n1 ZINC000091746198 661813045 /nfs/dbraw/zinc/81/30/45/661813045.db2.gz OMTNXAUCDXZOQR-KGLIPLIRSA-N 1 0 350.467 -0.006 50 0 FBAARO CN(CCC(N)=O)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000091746440 483795631 /nfs/dbraw/zinc/79/56/31/483795631.db2.gz BXCIBKCTGJVXHB-ZDUSSCGKSA-N 1 0 368.459 -0.254 50 0 FBAARO CN(CCC(N)=O)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000091746441 221791547 /nfs/dbraw/zinc/79/15/47/221791547.db2.gz BXCIBKCTGJVXHB-CYBMUJFWSA-N 1 0 368.459 -0.254 50 0 FBAARO C[N@@H+]1CCCN(CC(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091747037 483796101 /nfs/dbraw/zinc/79/61/01/483796101.db2.gz DQAAFQGMKCXEEZ-GOSISDBHSA-N 1 0 352.479 -0.543 50 0 FBAARO O=C(NCCc1cscn1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000091755640 483796024 /nfs/dbraw/zinc/79/60/24/483796024.db2.gz SEOPYOVIKYBBRY-OLZOCXBDSA-N 1 0 352.460 -0.114 50 0 FBAARO Cc1nc(N)sc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000091769522 483796089 /nfs/dbraw/zinc/79/60/89/483796089.db2.gz ACGWHGAEDDRMLF-CHWSQXEVSA-N 1 0 353.492 -0.038 50 0 FBAARO CC[NH+]1CCN(CC(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091769621 483795972 /nfs/dbraw/zinc/79/59/72/483795972.db2.gz QRZSTTGKUQZRTP-GOSISDBHSA-N 1 0 352.479 -0.543 50 0 FBAARO CC[NH+]1CCN(CC(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091769623 483795762 /nfs/dbraw/zinc/79/57/62/483795762.db2.gz QRZSTTGKUQZRTP-SFHVURJKSA-N 1 0 352.479 -0.543 50 0 FBAARO Cn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000091769966 221794958 /nfs/dbraw/zinc/79/49/58/221794958.db2.gz IFCCVIWMZSUIOH-CQSZACIVSA-N 1 0 363.443 -0.010 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCc3sc(C(N)=O)cc3C2)C1 ZINC000091780135 483796393 /nfs/dbraw/zinc/79/63/93/483796393.db2.gz ATGTXHNDDWCSQS-SNVBAGLBSA-N 1 0 350.444 -0.071 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCc3sc(C(N)=O)cc3C2)C1 ZINC000091780140 483796616 /nfs/dbraw/zinc/79/66/16/483796616.db2.gz ATGTXHNDDWCSQS-JTQLQIEISA-N 1 0 350.444 -0.071 50 0 FBAARO O=C(CN1CC(=O)NC1=O)N[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1C1CC1 ZINC000091780740 483796431 /nfs/dbraw/zinc/79/64/31/483796431.db2.gz KCCXXPKJYRNSDC-CABCVRRESA-N 1 0 357.414 -0.040 50 0 FBAARO CCC[C@H]1C[N@H+](CCCn2nnnc2C)C[C@@H]1NS(=O)(=O)N(C)C ZINC000091780910 483796640 /nfs/dbraw/zinc/79/66/40/483796640.db2.gz UDIGTUHTDNJPSO-KBPBESRZSA-N 1 0 359.500 -0.132 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091781396 483796498 /nfs/dbraw/zinc/79/64/98/483796498.db2.gz SSOABURLQHPLSF-OCCSQVGLSA-N 1 0 352.435 -0.535 50 0 FBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2CO)CC1 ZINC000091781638 483796696 /nfs/dbraw/zinc/79/66/96/483796696.db2.gz HKHIMISCZFRTCJ-HZPDHXFCSA-N 1 0 352.479 -0.687 50 0 FBAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000091792834 535970545 /nfs/dbraw/zinc/97/05/45/535970545.db2.gz QTGIHUOVGGPPEV-HUUCEWRRSA-N 1 0 363.462 -0.055 50 0 FBAARO O=C(CN1C(=O)CNC1=O)N[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1C1CC1 ZINC000091792859 483796702 /nfs/dbraw/zinc/79/67/02/483796702.db2.gz PKDGXNRTKZOCPI-CABCVRRESA-N 1 0 357.414 -0.040 50 0 FBAARO CC1(C)CN(Cc2cc(=O)[nH]c(=O)[nH]2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091793601 483796971 /nfs/dbraw/zinc/79/69/71/483796971.db2.gz UENPNAZXIYQKBV-KRWDZBQOSA-N 1 0 352.435 -0.642 50 0 FBAARO CC1(C)CN(Cc2cc(=O)[nH]c(=O)[nH]2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091793602 483796487 /nfs/dbraw/zinc/79/64/87/483796487.db2.gz UENPNAZXIYQKBV-QGZVFWFLSA-N 1 0 352.435 -0.642 50 0 FBAARO Cc1cc(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](C3CC3)C2)ncn1 ZINC000091794113 483796629 /nfs/dbraw/zinc/79/66/29/483796629.db2.gz WIXQTQBYXJFQMW-OLZOCXBDSA-N 1 0 358.402 -0.332 50 0 FBAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]c(=O)cn1)CC2 ZINC000091807328 483796654 /nfs/dbraw/zinc/79/66/54/483796654.db2.gz PYPZQFTXPLHUGD-KGLIPLIRSA-N 1 0 350.419 -0.296 50 0 FBAARO CCC[C@H]1C[N@@H+](C(CO)CO)C[C@@H]1NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC000091829946 661813866 /nfs/dbraw/zinc/81/38/66/661813866.db2.gz JEZLTENXZKXTKF-FZMZJTMJSA-N 1 0 353.419 -0.433 50 0 FBAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N3CCCC3)C1)C2 ZINC000091848761 483796724 /nfs/dbraw/zinc/79/67/24/483796724.db2.gz GFANQDJSZXVGFV-QWHCGFSZSA-N 1 0 359.430 -0.231 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CNC(=O)OC)CN1Cc1cccnc1 ZINC000091849093 483796683 /nfs/dbraw/zinc/79/66/83/483796683.db2.gz JGDZNSJCFBSBRR-KGLIPLIRSA-N 1 0 363.418 -0.367 50 0 FBAARO Cn1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)c(=O)n(C)c1=O ZINC000091858516 483796713 /nfs/dbraw/zinc/79/67/13/483796713.db2.gz DGNYLMVQFJSHEM-NEPJUHHUSA-N 1 0 356.448 -0.955 50 0 FBAARO CN1CCC[N@H+](C[C@H]2C[C@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091871342 483796689 /nfs/dbraw/zinc/79/66/89/483796689.db2.gz JOFATUMMINCEMB-CVEARBPZSA-N 1 0 350.467 -0.627 50 0 FBAARO CN(CCc1cnn(C)c1)C(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091871621 483796512 /nfs/dbraw/zinc/79/65/12/483796512.db2.gz ZFOJIUGFIJSDKO-HZPDHXFCSA-N 1 0 363.462 -0.495 50 0 FBAARO Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]([NH3+])CO)CC3)cn1 ZINC000091871849 483796709 /nfs/dbraw/zinc/79/67/09/483796709.db2.gz VPUUVOSKESRWJS-HNNXBMFYSA-N 1 0 361.446 -0.164 50 0 FBAARO CS(=O)(=O)N[C@H]1CN(CC(=O)NCc2ccccn2)C[C@@H]1C1CC1 ZINC000091872240 483796672 /nfs/dbraw/zinc/79/66/72/483796672.db2.gz SCVAFLAMWXNJIL-CABCVRRESA-N 1 0 352.460 -0.043 50 0 FBAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091894644 221810937 /nfs/dbraw/zinc/81/09/37/221810937.db2.gz DHQPQTGNBQSUPH-CHWSQXEVSA-N 1 0 350.419 -0.923 50 0 FBAARO O=C(NCCn1ccnc1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000091895678 483796958 /nfs/dbraw/zinc/79/69/58/483796958.db2.gz WESIZMSUEQYOIA-MRXNPFEDSA-N 1 0 363.462 -0.040 50 0 FBAARO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CN1CCc1ccccc1 ZINC000091907548 483796922 /nfs/dbraw/zinc/79/69/22/483796922.db2.gz CLFIIBSYXVNUHH-CABCVRRESA-N 1 0 361.446 -0.407 50 0 FBAARO C[N@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)C[C@@H]1CO ZINC000091908453 536392160 /nfs/dbraw/zinc/39/21/60/536392160.db2.gz GKHLISXWAUFELU-HUUCEWRRSA-N 1 0 351.451 -0.718 50 0 FBAARO O=C(c1ccc(S(=O)(=O)N2CCNCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000091914531 483796595 /nfs/dbraw/zinc/79/65/95/483796595.db2.gz MHIVMQZMUPKJTP-KBPBESRZSA-N 1 0 350.444 -0.533 50 0 FBAARO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091914808 483796748 /nfs/dbraw/zinc/79/67/48/483796748.db2.gz QKJPXOIRFDPNGK-CHWSQXEVSA-N 1 0 355.460 -0.115 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1cc(=O)c2ccccc2[nH]1 ZINC000091914855 483796819 /nfs/dbraw/zinc/79/68/19/483796819.db2.gz ZUWZHWYSMQCEKG-LRDDRELGSA-N 1 0 372.425 -0.284 50 0 FBAARO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091915430 209005678 /nfs/dbraw/zinc/00/56/78/209005678.db2.gz NAJBKNKRHGQIAJ-DZGCQCFKSA-N 1 0 362.430 -0.362 50 0 FBAARO CN(C)S(=O)(=O)CCC[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091951028 483797717 /nfs/dbraw/zinc/79/77/17/483797717.db2.gz YAYVGCRBCWXXBR-KGLIPLIRSA-N 1 0 350.481 -0.508 50 0 FBAARO C[N@@H+]1CCCN(CC(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)CC1 ZINC000091951811 483797258 /nfs/dbraw/zinc/79/72/58/483797258.db2.gz VGOVTCYYSODWGD-CABCVRRESA-N 1 0 358.508 -0.590 50 0 FBAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091974285 483797299 /nfs/dbraw/zinc/79/72/99/483797299.db2.gz AZBWWRFBHJOJGF-HNNXBMFYSA-N 1 0 363.443 -0.187 50 0 FBAARO O=C(Cn1nc2ccccc2n1)N1C[C@H](CO)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000091986197 483797452 /nfs/dbraw/zinc/79/74/52/483797452.db2.gz VOJSDGGCXANXJA-HUUCEWRRSA-N 1 0 373.457 -0.045 50 0 FBAARO [NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091986209 483797477 /nfs/dbraw/zinc/79/74/77/483797477.db2.gz BMMUKXUXEUKCOK-HNNXBMFYSA-N 1 0 363.462 -0.107 50 0 FBAARO [NH3+]C[C@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091986216 483797239 /nfs/dbraw/zinc/79/72/39/483797239.db2.gz BMMUKXUXEUKCOK-OAHLLOKOSA-N 1 0 363.462 -0.107 50 0 FBAARO O=C(NCc1cn2cccnc2n1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091986577 483797393 /nfs/dbraw/zinc/79/73/93/483797393.db2.gz OCNGJAKFBLRMNH-ZIAGYGMSSA-N 1 0 372.429 -0.570 50 0 FBAARO COCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH]c(=O)n(C)c2=O)[C@@H](C(C)C)C1 ZINC000092004545 483797561 /nfs/dbraw/zinc/79/75/61/483797561.db2.gz WTRSYOREAIOFFF-KGLIPLIRSA-N 1 0 352.435 -0.665 50 0 FBAARO O=C(c1ccc(S(=O)(=O)NCCCO)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000092020468 483797380 /nfs/dbraw/zinc/79/73/80/483797380.db2.gz WJVGBGHIXGBIBW-OKILXGFUSA-N 1 0 353.444 -0.361 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000092020603 483797345 /nfs/dbraw/zinc/79/73/45/483797345.db2.gz NTDCLHRVPRCSOS-ZDUSSCGKSA-N 1 0 373.457 -0.196 50 0 FBAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000092020607 483797307 /nfs/dbraw/zinc/79/73/07/483797307.db2.gz NTDCLHRVPRCSOS-CYBMUJFWSA-N 1 0 373.457 -0.196 50 0 FBAARO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[N@H+](CCCO)C[C@@H]1C1CC1 ZINC000092028240 209013502 /nfs/dbraw/zinc/01/35/02/209013502.db2.gz AZBBHMMCPYLJCJ-OLZOCXBDSA-N 1 0 352.435 -0.474 50 0 FBAARO C[NH+](C)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000092028622 209012749 /nfs/dbraw/zinc/01/27/49/209012749.db2.gz DAVBVLODSREVRT-UHFFFAOYSA-N 1 0 355.464 -0.393 50 0 FBAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1CO ZINC000092038916 483797339 /nfs/dbraw/zinc/79/73/39/483797339.db2.gz UYSJPBBDRWOTED-HZPDHXFCSA-N 1 0 350.463 -0.441 50 0 FBAARO COc1cccc([C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C[C@@H]2[NH3+])c1 ZINC000092061817 221832660 /nfs/dbraw/zinc/83/26/60/221832660.db2.gz LJRQDYNIIMCOCZ-CABCVRRESA-N 1 0 358.398 -0.422 50 0 FBAARO CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000092076976 483797269 /nfs/dbraw/zinc/79/72/69/483797269.db2.gz SXMDYACQOGNLIM-ZIAGYGMSSA-N 1 0 355.460 -0.163 50 0 FBAARO CC(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000092077716 483797362 /nfs/dbraw/zinc/79/73/62/483797362.db2.gz DALXXGNLPNDPPJ-OCCSQVGLSA-N 1 0 350.419 -0.072 50 0 FBAARO COCCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000092078437 483798114 /nfs/dbraw/zinc/79/81/14/483798114.db2.gz MUYFNEIVLKYDGO-HUUCEWRRSA-N 1 0 371.459 -0.546 50 0 FBAARO COc1ccc([C@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]2[NH3+])cc1 ZINC000092096499 483798093 /nfs/dbraw/zinc/79/80/93/483798093.db2.gz FOZBMMNIFYWGEF-CABCVRRESA-N 1 0 358.398 -0.193 50 0 FBAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000092097259 209017262 /nfs/dbraw/zinc/01/72/62/209017262.db2.gz MHDIIQUHDQZHBJ-UHFFFAOYSA-N 1 0 362.434 -0.298 50 0 FBAARO COCc1cc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)[nH]n1 ZINC000092099323 483798049 /nfs/dbraw/zinc/79/80/49/483798049.db2.gz DQSJZIPZDSWBFW-CHWSQXEVSA-N 1 0 365.434 -0.743 50 0 FBAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1([NH3+])CC1)CC2 ZINC000092107222 483798117 /nfs/dbraw/zinc/79/81/17/483798117.db2.gz FFYBPQTTZPPRMX-UHFFFAOYSA-N 1 0 353.448 -0.464 50 0 FBAARO CN(CCc1cnn(C)c1)C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000092107578 483798194 /nfs/dbraw/zinc/79/81/94/483798194.db2.gz ZFOJIUGFIJSDKO-CVEARBPZSA-N 1 0 363.462 -0.495 50 0 FBAARO Nc1nc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)cs1 ZINC000092107940 483797946 /nfs/dbraw/zinc/79/79/46/483797946.db2.gz VYDYXEBGEFTKEZ-NEPJUHHUSA-N 1 0 367.475 -0.532 50 0 FBAARO C[NH+](C)CCN1C[C@H](C(=O)NCCn2ncc3ccccc3c2=O)CC1=O ZINC000095354320 483822034 /nfs/dbraw/zinc/82/20/34/483822034.db2.gz ZHQMALCYLWWRSH-OAHLLOKOSA-N 1 0 371.441 -0.077 50 0 FBAARO C[NH+](C)CCN1C[C@@H](C(=O)NCCn2ncc3ccccc3c2=O)CC1=O ZINC000095354321 483822006 /nfs/dbraw/zinc/82/20/06/483822006.db2.gz ZHQMALCYLWWRSH-HNNXBMFYSA-N 1 0 371.441 -0.077 50 0 FBAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000095355840 483822190 /nfs/dbraw/zinc/82/21/90/483822190.db2.gz CIOJLNPSVCGEAI-CYBMUJFWSA-N 1 0 362.434 -0.298 50 0 FBAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000095355841 483821918 /nfs/dbraw/zinc/82/19/18/483821918.db2.gz CIOJLNPSVCGEAI-ZDUSSCGKSA-N 1 0 362.434 -0.298 50 0 FBAARO Cn1cc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c(=O)[nH]c1=O ZINC000095356287 209026735 /nfs/dbraw/zinc/02/67/35/209026735.db2.gz ZEGRKAWYIUAJCE-ZDUSSCGKSA-N 1 0 374.445 -0.149 50 0 FBAARO Cn1cc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c(=O)[nH]c1=O ZINC000095356288 483821901 /nfs/dbraw/zinc/82/19/01/483821901.db2.gz ZEGRKAWYIUAJCE-CYBMUJFWSA-N 1 0 374.445 -0.149 50 0 FBAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095356454 483822061 /nfs/dbraw/zinc/82/20/61/483822061.db2.gz YCWQQJNVNIPXKB-OCVGTWLNSA-N 1 0 374.445 -0.086 50 0 FBAARO CCN1CC[NH+](C[C@@H]2CN(c3cc(N)nc(N(C)C)n3)C[C@@H]2CO)CC1 ZINC000095357383 221857447 /nfs/dbraw/zinc/85/74/47/221857447.db2.gz FWEPFTCJFNCFKX-HUUCEWRRSA-N 1 0 363.510 -0.193 50 0 FBAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCN3CCNC3=O)C2)cn1 ZINC000095358866 209027986 /nfs/dbraw/zinc/02/79/86/209027986.db2.gz CXYODUTVDWCIKN-KGLIPLIRSA-N 1 0 374.445 -0.304 50 0 FBAARO Cc1c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)cnc2ccnn21 ZINC000095359523 483822239 /nfs/dbraw/zinc/82/22/39/483822239.db2.gz AZBHYZMODZOGAB-HZPDHXFCSA-N 1 0 372.473 -0.034 50 0 FBAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c(=O)[nH]c1=O ZINC000095362291 483821875 /nfs/dbraw/zinc/82/18/75/483821875.db2.gz QJQFURKYZISDBJ-GXTWGEPZSA-N 1 0 362.430 -0.211 50 0 FBAARO NC1=NC(=O)C2(CCN(C(=O)[C@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)N1 ZINC000095363205 483822087 /nfs/dbraw/zinc/82/20/87/483822087.db2.gz KTCPWJUVZOETTB-ZDUSSCGKSA-N 1 0 363.462 -0.317 50 0 FBAARO NC1=NC(=O)C2(CCN(C(=O)[C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)N1 ZINC000095363206 483821954 /nfs/dbraw/zinc/82/19/54/483821954.db2.gz KTCPWJUVZOETTB-CYBMUJFWSA-N 1 0 363.462 -0.317 50 0 FBAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000095364118 483822194 /nfs/dbraw/zinc/82/21/94/483822194.db2.gz GTJZBNAAZAWLOH-CYBMUJFWSA-N 1 0 374.445 -0.230 50 0 FBAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000095364119 483821897 /nfs/dbraw/zinc/82/18/97/483821897.db2.gz GTJZBNAAZAWLOH-ZDUSSCGKSA-N 1 0 374.445 -0.230 50 0 FBAARO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1C[NH2+]C[C@H](C(=O)N3CCCC3)C1)C2 ZINC000095365353 209031236 /nfs/dbraw/zinc/03/12/36/209031236.db2.gz KESVHWFCAGKGTL-ZIAGYGMSSA-N 1 0 373.457 -0.221 50 0 FBAARO CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095366932 483821949 /nfs/dbraw/zinc/82/19/49/483821949.db2.gz PMERVSKAEIAKRX-OAHLLOKOSA-N 1 0 362.430 -0.045 50 0 FBAARO CNC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095366933 483822133 /nfs/dbraw/zinc/82/21/33/483822133.db2.gz PMERVSKAEIAKRX-HNNXBMFYSA-N 1 0 362.430 -0.045 50 0 FBAARO CN(CC(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2)C(N)=O ZINC000095367422 483822028 /nfs/dbraw/zinc/82/20/28/483822028.db2.gz LWULPTBAVFVVSC-SFHVURJKSA-N 1 0 365.478 -0.068 50 0 FBAARO CN(CC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2)C(N)=O ZINC000095367423 483821863 /nfs/dbraw/zinc/82/18/63/483821863.db2.gz LWULPTBAVFVVSC-GOSISDBHSA-N 1 0 365.478 -0.068 50 0 FBAARO Cn1c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)cc2nc1N1CC[C@H](O)C1 ZINC000095368749 209033164 /nfs/dbraw/zinc/03/31/64/209033164.db2.gz DIOLAJVFHZXTBY-ILXRZTDVSA-N 1 0 373.457 -0.061 50 0 FBAARO CC[NH+]1CCC(CC(=O)N2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 ZINC000095369036 483822707 /nfs/dbraw/zinc/82/27/07/483822707.db2.gz UIZIXWKJKWRTLS-CVEARBPZSA-N 1 0 373.519 -0.590 50 0 FBAARO Cc1nnnn1CC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095370105 483822654 /nfs/dbraw/zinc/82/26/54/483822654.db2.gz RAGIKRIGWAKIGC-AYRXBEOTSA-N 1 0 352.439 -0.842 50 0 FBAARO COc1cc(OC)nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)n1 ZINC000095370917 661824585 /nfs/dbraw/zinc/82/45/85/661824585.db2.gz KNOMZVBWGLOLQU-CHWSQXEVSA-N 1 0 352.435 -0.005 50 0 FBAARO O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1 ZINC000095372412 209034765 /nfs/dbraw/zinc/03/47/65/209034765.db2.gz UAWOZROHUXVXLN-HZPDHXFCSA-N 1 0 373.457 -0.224 50 0 FBAARO O=C(NCCSc1nc[nH]n1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1 ZINC000095374344 483822558 /nfs/dbraw/zinc/82/25/58/483822558.db2.gz ZSAAZFJRLJUJOE-VXGBXAGGSA-N 1 0 352.464 -0.139 50 0 FBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000095375488 209036548 /nfs/dbraw/zinc/03/65/48/209036548.db2.gz YAKHVXVHDPLGHO-HZPDHXFCSA-N 1 0 372.473 -0.254 50 0 FBAARO CN1CC[NH+](C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@@H]2CO)CC1 ZINC000095378238 483822467 /nfs/dbraw/zinc/82/24/67/483822467.db2.gz RQRAKDGQCFSVBD-HZPDHXFCSA-N 1 0 360.458 -0.061 50 0 FBAARO Cc1cc(N2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)nc(N)[nH+]1 ZINC000095384480 132209902 /nfs/dbraw/zinc/20/99/02/132209902.db2.gz ACMBNIBNGJYMMV-IUODEOHRSA-N 1 0 370.479 -0.563 50 0 FBAARO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@@H]1CCO ZINC000095385502 205747694 /nfs/dbraw/zinc/74/76/94/205747694.db2.gz ZQWWSCOWBHBEKD-WFASDCNBSA-N 1 0 353.444 -0.091 50 0 FBAARO CCOCCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CC[NH2+]C2)c1 ZINC000095388739 209045839 /nfs/dbraw/zinc/04/58/39/209045839.db2.gz NQMKZVGFWUZNGR-INIZCTEOSA-N 1 0 371.459 -0.544 50 0 FBAARO CCOCCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CC[NH2+]C2)c1 ZINC000095388740 209046036 /nfs/dbraw/zinc/04/60/36/209046036.db2.gz NQMKZVGFWUZNGR-MRXNPFEDSA-N 1 0 371.459 -0.544 50 0 FBAARO Cc1nc(C)c(CC(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c(=O)[nH]1 ZINC000095388944 209046319 /nfs/dbraw/zinc/04/63/19/209046319.db2.gz ZAEJMGKSHCCPOQ-SFHVURJKSA-N 1 0 361.446 -0.258 50 0 FBAARO Cc1nc(C)c(CC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(=O)[nH]1 ZINC000095388945 483822562 /nfs/dbraw/zinc/82/25/62/483822562.db2.gz ZAEJMGKSHCCPOQ-GOSISDBHSA-N 1 0 361.446 -0.258 50 0 FBAARO COc1cc(=O)n2c(c1C(=O)N1C[C@H]3CC[C@@H](C1)C(=O)N3C)CC[NH2+]CC2 ZINC000095389567 483822415 /nfs/dbraw/zinc/82/24/15/483822415.db2.gz ILEIFLMRRHSEKM-QWHCGFSZSA-N 1 0 374.441 -0.305 50 0 FBAARO Cn1ccnc1CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000095390477 483822779 /nfs/dbraw/zinc/82/27/79/483822779.db2.gz XEVGQPKRXKMFRO-HNNXBMFYSA-N 1 0 362.478 -0.526 50 0 FBAARO CN1CC[C@]2(CN(C(=O)CSc3nc(N)n[nH]3)CC[N@@H+]2C)CCC1=O ZINC000095391832 483822635 /nfs/dbraw/zinc/82/26/35/483822635.db2.gz ZNYSBHYHYZGGKP-HNNXBMFYSA-N 1 0 367.479 -0.366 50 0 FBAARO CN1CC[C@@]2(CN(C(=O)CSc3nc(N)n[nH]3)CC[N@@H+]2C)CCC1=O ZINC000095391833 483822735 /nfs/dbraw/zinc/82/27/35/483822735.db2.gz ZNYSBHYHYZGGKP-OAHLLOKOSA-N 1 0 367.479 -0.366 50 0 FBAARO CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CC[N@H+](C)C[C@@H]32)C1=O ZINC000095481031 132211807 /nfs/dbraw/zinc/21/18/07/132211807.db2.gz QETGJPFRLXXLAO-CQSZACIVSA-N 1 0 357.414 -0.018 50 0 FBAARO CN(CCC(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2)S(C)(=O)=O ZINC000095498927 209061458 /nfs/dbraw/zinc/06/14/58/209061458.db2.gz NORRTKBVVLQIOH-INIZCTEOSA-N 1 0 374.507 -0.577 50 0 FBAARO CN(CCC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2)S(C)(=O)=O ZINC000095498928 483823186 /nfs/dbraw/zinc/82/31/86/483823186.db2.gz NORRTKBVVLQIOH-MRXNPFEDSA-N 1 0 374.507 -0.577 50 0 FBAARO Cc1cc[nH+]c(NCCNC(=O)Cn2nnnc2CN2CCOCC2)c1 ZINC000095500360 205770025 /nfs/dbraw/zinc/77/00/25/205770025.db2.gz GPBMKGOZUWANKN-UHFFFAOYSA-N 1 0 360.422 -0.563 50 0 FBAARO CCC[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1C(=O)N(CC)CC ZINC000095500613 483823274 /nfs/dbraw/zinc/82/32/74/483823274.db2.gz JZNSJYLPXDIMKI-YPMHNXCESA-N 1 0 365.434 -0.486 50 0 FBAARO CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000095500710 483822967 /nfs/dbraw/zinc/82/29/67/483822967.db2.gz KLINKTXRRIOYCI-OCCSQVGLSA-N 1 0 361.446 -0.255 50 0 FBAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095504086 209063038 /nfs/dbraw/zinc/06/30/38/209063038.db2.gz DCTOSNAMGQNGJG-OAHLLOKOSA-N 1 0 358.398 -0.758 50 0 FBAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095504087 483823431 /nfs/dbraw/zinc/82/34/31/483823431.db2.gz DCTOSNAMGQNGJG-HNNXBMFYSA-N 1 0 358.398 -0.758 50 0 FBAARO COc1ccc(CN2CC(O)C2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000095504152 209065851 /nfs/dbraw/zinc/06/58/51/209065851.db2.gz IGBHVAATDFRQFZ-KRWDZBQOSA-N 1 0 365.474 -0.141 50 0 FBAARO COc1ccc(CN2CC(O)C2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000095504153 483823815 /nfs/dbraw/zinc/82/38/15/483823815.db2.gz IGBHVAATDFRQFZ-QGZVFWFLSA-N 1 0 365.474 -0.141 50 0 FBAARO COc1ccc2c(c1)OC[C@]1(CO)CN(CC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000095505180 209064709 /nfs/dbraw/zinc/06/47/09/209064709.db2.gz KSFSKNRGVMDJGA-VQIMIIECSA-N 1 0 361.442 -0.103 50 0 FBAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000095506358 483823680 /nfs/dbraw/zinc/82/36/80/483823680.db2.gz IJCJTMPAHDOARX-HIFRSBDPSA-N 1 0 373.457 -0.255 50 0 FBAARO COCCN(Cc1cnn(C)c1)C(=O)CN1CC2(CC[NH2+]CC2)OC1=O ZINC000095517775 483823689 /nfs/dbraw/zinc/82/36/89/483823689.db2.gz WLAYWIPLIMVPMJ-UHFFFAOYSA-N 1 0 365.434 -0.031 50 0 FBAARO O=C(CCn1ccc(=O)[nH]c1=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095518795 483823442 /nfs/dbraw/zinc/82/34/42/483823442.db2.gz WYFAPPRXPVHLDT-MRXNPFEDSA-N 1 0 372.425 -0.368 50 0 FBAARO O=C(CCn1ccc(=O)[nH]c1=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095518796 483823825 /nfs/dbraw/zinc/82/38/25/483823825.db2.gz WYFAPPRXPVHLDT-INIZCTEOSA-N 1 0 372.425 -0.368 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)n(C)c1=O ZINC000095518848 483823703 /nfs/dbraw/zinc/82/37/03/483823703.db2.gz FKGITQWUYVEDOF-HNNXBMFYSA-N 1 0 372.425 -0.597 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)n(C)c1=O ZINC000095518849 209073137 /nfs/dbraw/zinc/07/31/37/209073137.db2.gz FKGITQWUYVEDOF-OAHLLOKOSA-N 1 0 372.425 -0.597 50 0 FBAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)CC1 ZINC000095523565 209074201 /nfs/dbraw/zinc/07/42/01/209074201.db2.gz LCHKIUWKTGVRFH-HNNXBMFYSA-N 1 0 362.478 -0.288 50 0 FBAARO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](c3nccn3CC(N)=O)C2)CC1 ZINC000095523566 483823532 /nfs/dbraw/zinc/82/35/32/483823532.db2.gz LCHKIUWKTGVRFH-OAHLLOKOSA-N 1 0 362.478 -0.288 50 0 FBAARO C[N@@H+]1CCCN(CC(=O)N2CCC(c3nccn3CC(N)=O)CC2)CC1 ZINC000095526755 209076077 /nfs/dbraw/zinc/07/60/77/209076077.db2.gz PQMSOISJCQESKB-UHFFFAOYSA-N 1 0 362.478 -0.288 50 0 FBAARO CCn1nc(CO)c2c1CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C2 ZINC000095528793 483823723 /nfs/dbraw/zinc/82/37/23/483823723.db2.gz RVGBBTFPDPJJPP-CYBMUJFWSA-N 1 0 363.462 -0.310 50 0 FBAARO CCn1nc(CO)c2c1CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C2 ZINC000095528794 483823592 /nfs/dbraw/zinc/82/35/92/483823592.db2.gz RVGBBTFPDPJJPP-ZDUSSCGKSA-N 1 0 363.462 -0.310 50 0 FBAARO O=C([O-])[C@@]12C[NH+](C3CCOCC3)C[C@@H]1C[N@@H+](CCCn1cnnn1)C2 ZINC000096130267 222035660 /nfs/dbraw/zinc/03/56/60/222035660.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 1 0 350.423 -0.439 50 0 FBAARO CNC(=O)[C@@H]1C[C@@H](NC(=O)Cn2nccc2C)CN1c1cc(C)[nH+]c(N)n1 ZINC000096130333 483825157 /nfs/dbraw/zinc/82/51/57/483825157.db2.gz JRGRKTFYIVMDGB-OLZOCXBDSA-N 1 0 372.433 -0.618 50 0 FBAARO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000096132776 209117234 /nfs/dbraw/zinc/11/72/34/209117234.db2.gz OHKJOJMGDRPUNG-MLGOLLRUSA-N 1 0 355.435 -0.133 50 0 FBAARO O=C([O-])[C@]12C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096133551 222039760 /nfs/dbraw/zinc/03/97/60/222039760.db2.gz MRDZYNJIEPILOR-RHSMWYFYSA-N 1 0 358.402 -0.323 50 0 FBAARO Cc1nc(C)n(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000096136270 222040069 /nfs/dbraw/zinc/04/00/69/222040069.db2.gz QSCCCSZYOOXVMQ-CABCVRRESA-N 1 0 364.450 -0.904 50 0 FBAARO CCn1c(C)nnc1SCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(C)=O)C2 ZINC000096137924 209118870 /nfs/dbraw/zinc/11/88/70/209118870.db2.gz FXLNGABMSXOULS-CZUORRHYSA-N 1 0 366.491 -0.117 50 0 FBAARO Cn1cc(CCCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000096151424 205838214 /nfs/dbraw/zinc/83/82/14/205838214.db2.gz WWORAVXWQXMCJL-CVEARBPZSA-N 1 0 363.462 -0.447 50 0 FBAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@@H+]1C1CCOCC1 ZINC000096152128 222054138 /nfs/dbraw/zinc/05/41/38/222054138.db2.gz PEPLLJWBVWDQSD-FZMZJTMJSA-N 1 0 363.418 -0.742 50 0 FBAARO O=C(NCCSc1nc[nH]n1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000096161942 209128145 /nfs/dbraw/zinc/12/81/45/209128145.db2.gz KWZSINMFTJQFRP-VXGBXAGGSA-N 1 0 368.463 -0.903 50 0 FBAARO Nc1nc(CCNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)cs1 ZINC000096162554 527550417 /nfs/dbraw/zinc/55/04/17/527550417.db2.gz VYDYXEBGEFTKEZ-VXGBXAGGSA-N 1 0 367.475 -0.532 50 0 FBAARO CCCn1cnnc1CNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096163393 222063359 /nfs/dbraw/zinc/06/33/59/222063359.db2.gz YRJYSYSMRPDFHG-KGLIPLIRSA-N 1 0 364.450 -0.611 50 0 FBAARO CN1CCN(C(=O)c2cncc(N3CCC(N4CC[C@H]([NH3+])C4)CC3)n2)CC1 ZINC000096166175 132221825 /nfs/dbraw/zinc/22/18/25/132221825.db2.gz ODQNVWYEQZVTFT-HNNXBMFYSA-N 1 0 373.505 -0.134 50 0 FBAARO CN1CCN(C(=O)c2cncc(N3CCC(N4CC[C@@H]([NH3+])C4)CC3)n2)CC1 ZINC000096166177 132221679 /nfs/dbraw/zinc/22/16/79/132221679.db2.gz ODQNVWYEQZVTFT-OAHLLOKOSA-N 1 0 373.505 -0.134 50 0 FBAARO [NH3+]C1(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)Cc2ccccc2C1 ZINC000097229047 222170074 /nfs/dbraw/zinc/17/00/74/222170074.db2.gz YKMGKWLAPGIDCS-UHFFFAOYSA-N 1 0 355.398 -0.516 50 0 FBAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000097360149 132228728 /nfs/dbraw/zinc/22/87/28/132228728.db2.gz RMJKEYATAQQWNU-SFHVURJKSA-N 1 0 362.478 -0.325 50 0 FBAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000097360150 132228890 /nfs/dbraw/zinc/22/88/90/132228890.db2.gz RMJKEYATAQQWNU-GOSISDBHSA-N 1 0 362.478 -0.325 50 0 FBAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097425135 222180505 /nfs/dbraw/zinc/18/05/05/222180505.db2.gz YNJOZIJKFPXHAT-AWEZNQCLSA-N 1 0 357.418 -0.021 50 0 FBAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097425137 483830001 /nfs/dbraw/zinc/83/00/01/483830001.db2.gz YNJOZIJKFPXHAT-CQSZACIVSA-N 1 0 357.418 -0.021 50 0 FBAARO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCCOCCO)c2)CC[NH2+]1 ZINC000097468486 483829787 /nfs/dbraw/zinc/82/97/87/483829787.db2.gz QPLXXBFLDZKDNO-CYBMUJFWSA-N 1 0 371.459 -0.592 50 0 FBAARO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCCOCCO)c2)CC[NH2+]1 ZINC000097468490 483829785 /nfs/dbraw/zinc/82/97/85/483829785.db2.gz QPLXXBFLDZKDNO-ZDUSSCGKSA-N 1 0 371.459 -0.592 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)n(C)c1=O ZINC000097499682 263431129 /nfs/dbraw/zinc/43/11/29/263431129.db2.gz AJUJUGKQHJRRAK-UHFFFAOYSA-N 1 0 352.460 -0.263 50 0 FBAARO O=C(Cn1cnnn1)N1CCC2(CC[NH+](Cc3ncc[nH]3)CC2)[C@@H](CO)C1 ZINC000097527329 222188901 /nfs/dbraw/zinc/18/89/01/222188901.db2.gz QICABQMZPUTFAS-CQSZACIVSA-N 1 0 374.449 -0.481 50 0 FBAARO O=C(Cn1cnnn1)N1CCC2(CC[NH+](Cc3ncc[nH]3)CC2)[C@H](CO)C1 ZINC000097527330 222188839 /nfs/dbraw/zinc/18/88/39/222188839.db2.gz QICABQMZPUTFAS-AWEZNQCLSA-N 1 0 374.449 -0.481 50 0 FBAARO Cc1cccc2ncc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c(=O)n12 ZINC000097572194 209187495 /nfs/dbraw/zinc/18/74/95/209187495.db2.gz PFOCXLVQQSBZRP-ZDUSSCGKSA-N 1 0 357.414 -0.070 50 0 FBAARO Cc1cccc2ncc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c(=O)n12 ZINC000097572195 222192335 /nfs/dbraw/zinc/19/23/35/222192335.db2.gz PFOCXLVQQSBZRP-CYBMUJFWSA-N 1 0 357.414 -0.070 50 0 FBAARO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000097578921 209187378 /nfs/dbraw/zinc/18/73/78/209187378.db2.gz XGKORVKGGPHOBU-IUODEOHRSA-N 1 0 369.443 -0.749 50 0 FBAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773161 222211351 /nfs/dbraw/zinc/21/13/51/222211351.db2.gz CHSVKZSWSBCWGN-HNNXBMFYSA-N 1 0 357.418 -0.352 50 0 FBAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773162 483830749 /nfs/dbraw/zinc/83/07/49/483830749.db2.gz CHSVKZSWSBCWGN-OAHLLOKOSA-N 1 0 357.418 -0.352 50 0 FBAARO Cn1c(=O)cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)n(C)c1=O ZINC000097785562 209197670 /nfs/dbraw/zinc/19/76/70/209197670.db2.gz MMAIJFDFKIHGOX-UHFFFAOYSA-N 1 0 352.460 -0.263 50 0 FBAARO CCOC[C@H](O)CNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097813724 222214797 /nfs/dbraw/zinc/21/47/97/222214797.db2.gz ZQBKQRFNSLTERR-CQSZACIVSA-N 1 0 371.459 -0.592 50 0 FBAARO CCOC[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000097813725 222215092 /nfs/dbraw/zinc/21/50/92/222215092.db2.gz ZQBKQRFNSLTERR-AWEZNQCLSA-N 1 0 371.459 -0.592 50 0 FBAARO CN1c2ccccc2[C@@H](NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)C1=O ZINC000101678300 483437206 /nfs/dbraw/zinc/43/72/06/483437206.db2.gz IMXZXBNPQHUOBF-MRXNPFEDSA-N 1 0 373.457 -0.426 50 0 FBAARO O=c1c(=O)c(N2CCN(Cc3ccccc3)CC2)c1NCC[NH2+]CCO ZINC000101694537 222280340 /nfs/dbraw/zinc/28/03/40/222280340.db2.gz KUFSHEWPBHWIDY-UHFFFAOYSA-N 1 0 358.442 -0.401 50 0 FBAARO O=c1c(=O)c(N2CCN(c3ccc(F)cc3)CC2)c1NCC[NH2+]CCO ZINC000101695457 132234195 /nfs/dbraw/zinc/23/41/95/132234195.db2.gz PPGOFVYBPQDFGM-UHFFFAOYSA-N 1 0 362.405 -0.258 50 0 FBAARO O=c1c(=O)c(N2CCN(c3ccccc3)CC2)c1NCCN1CC[NH2+]CC1 ZINC000101700423 132234490 /nfs/dbraw/zinc/23/44/90/132234490.db2.gz RFJGDAYYMVDUNZ-UHFFFAOYSA-N 1 0 369.469 -0.074 50 0 FBAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2c[nH]c3ncnn3c2=O)CC1 ZINC000101952836 132234407 /nfs/dbraw/zinc/23/44/07/132234407.db2.gz HPYXWJGKFVOMDQ-UHFFFAOYSA-N 1 0 368.401 -0.506 50 0 FBAARO NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000102165532 483833966 /nfs/dbraw/zinc/83/39/66/483833966.db2.gz XZEZHPXGKMQMQD-HNNXBMFYSA-N 1 0 352.460 -0.001 50 0 FBAARO Cc1cc2ncc(C(=O)N3CCNC[C@@H]3C(=O)N3CCCC3)c(=O)n2[n-]1 ZINC000102412293 484264962 /nfs/dbraw/zinc/26/49/62/484264962.db2.gz RNNLMWQYXVQVCR-CYBMUJFWSA-N 1 0 358.402 -0.633 50 0 FBAARO Cc1cc2ncc(C(=O)N3CCNC[C@H]3C(=O)N3CCCC3)c(=O)n2[n-]1 ZINC000102412294 484266148 /nfs/dbraw/zinc/26/61/48/484266148.db2.gz RNNLMWQYXVQVCR-ZDUSSCGKSA-N 1 0 358.402 -0.633 50 0 FBAARO CN(CCO)Cc1nnc(C2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)n1C ZINC000102687844 483834455 /nfs/dbraw/zinc/83/44/55/483834455.db2.gz HHNGJHUCXYRJPI-FOLVSLTJSA-N 1 0 362.478 -0.589 50 0 FBAARO CCN1CCN(C(=O)CC2=CSC3=NCCN23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000102705446 209238612 /nfs/dbraw/zinc/23/86/12/209238612.db2.gz HDYLPWQLIXVWHI-OLZOCXBDSA-N 1 0 370.500 -0.034 50 0 FBAARO Cc1cccc(OC[C@H](O)CN2C(=[NH2+])N[C@H]3[C@@H]2C(=O)N(C)C(=O)N3C)c1 ZINC000102786822 206230394 /nfs/dbraw/zinc/23/03/94/206230394.db2.gz HAEMYHGIGQVDSS-MRVWCRGKSA-N 1 0 361.402 -0.416 50 0 FBAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102862283 222312226 /nfs/dbraw/zinc/31/22/26/222312226.db2.gz MYMANAUDCIRMPE-VIKVFOODSA-N 1 0 373.457 -0.276 50 0 FBAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccccc21 ZINC000105351468 206232437 /nfs/dbraw/zinc/23/24/37/206232437.db2.gz ZKORIKIQARBDPT-LBXOLOSGSA-N 1 0 359.382 -0.566 50 0 FBAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccccc21 ZINC000105351775 206233171 /nfs/dbraw/zinc/23/31/71/206233171.db2.gz APGQXYKDXFQABD-AJNNRKIQSA-N 1 0 373.409 -0.176 50 0 FBAARO O=C1NCCN2CCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C[C@H]12 ZINC000106944911 483644016 /nfs/dbraw/zinc/64/40/16/483644016.db2.gz RUYKOSIUAFWSNF-OAHLLOKOSA-N 1 0 351.414 -0.238 50 0 FBAARO C[NH+]1CCC(N2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)CC1 ZINC000106980780 536339420 /nfs/dbraw/zinc/33/94/20/536339420.db2.gz LHBVTLBFHHHDRS-MRXNPFEDSA-N 1 0 364.494 -0.152 50 0 FBAARO C[N@@H+]1CCCN(CC(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000107679158 222399534 /nfs/dbraw/zinc/39/95/34/222399534.db2.gz DQAAFQGMKCXEEZ-SFHVURJKSA-N 1 0 352.479 -0.543 50 0 FBAARO O=C(CN1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000111683402 484642148 /nfs/dbraw/zinc/64/21/48/484642148.db2.gz VSKOGQMPOIQEED-INIZCTEOSA-N 1 0 352.479 -0.400 50 0 FBAARO CC(C)[NH+]1CCC(NC(=O)CN2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000114454198 484143007 /nfs/dbraw/zinc/14/30/07/484143007.db2.gz JAECZEFRMADVFU-UHFFFAOYSA-N 1 0 360.524 -0.057 50 0 FBAARO CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](NS(=O)(=O)c2c(C)noc2C)C1 ZINC000169781278 660108344 /nfs/dbraw/zinc/10/83/44/660108344.db2.gz OIYRIEYSBXVKOU-VXGBXAGGSA-N 1 0 359.452 -0.229 50 0 FBAARO CCn1cc(S(=O)(=O)N2CCC3(C[C@@H]4C(=O)NCC[N@H+]4C3)CC2)cn1 ZINC000169787742 660108319 /nfs/dbraw/zinc/10/83/19/660108319.db2.gz HPQNKFCMDPSHGH-CQSZACIVSA-N 1 0 367.475 -0.122 50 0 FBAARO CCn1cc(S(=O)(=O)N2CCC3(C[C@H]4C(=O)NCC[N@H+]4C3)CC2)cn1 ZINC000169787743 660108371 /nfs/dbraw/zinc/10/83/71/660108371.db2.gz HPQNKFCMDPSHGH-AWEZNQCLSA-N 1 0 367.475 -0.122 50 0 FBAARO Cc1cc(C)n(CC(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C[NH+](C)C)n1 ZINC000169790969 660108392 /nfs/dbraw/zinc/10/83/92/660108392.db2.gz CBSVMOXFLLRYQS-ZIAGYGMSSA-N 1 0 357.480 -0.562 50 0 FBAARO Cc1cc(C)n(CCC(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C[NH+](C)C)n1 ZINC000169790970 660108389 /nfs/dbraw/zinc/10/83/89/660108389.db2.gz WSDMPBSZMFQTIC-HUUCEWRRSA-N 1 0 371.507 -0.172 50 0 FBAARO Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000169791100 660108543 /nfs/dbraw/zinc/10/85/43/660108543.db2.gz PDRVLDPOQFSNNN-UKRRQHHQSA-N 1 0 371.507 -0.103 50 0 FBAARO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000169791101 660108490 /nfs/dbraw/zinc/10/84/90/660108490.db2.gz LZKRCAPJHKXONT-CHWSQXEVSA-N 1 0 357.480 -0.412 50 0 FBAARO Cc1noc(C)c1CC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000169791103 660108575 /nfs/dbraw/zinc/10/85/75/660108575.db2.gz DXZUCIUNRXXVTG-TZMCWYRMSA-N 1 0 358.464 -0.228 50 0 FBAARO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088382 484375685 /nfs/dbraw/zinc/37/56/85/484375685.db2.gz JINZYWSJGNCORN-AWEZNQCLSA-N 1 0 351.451 -0.314 50 0 FBAARO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088385 484375584 /nfs/dbraw/zinc/37/55/84/484375584.db2.gz JINZYWSJGNCORN-CQSZACIVSA-N 1 0 351.451 -0.314 50 0 FBAARO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601429 484482817 /nfs/dbraw/zinc/48/28/17/484482817.db2.gz CVBFCJGBBWGIFU-GOSISDBHSA-N 1 0 359.430 -0.323 50 0 FBAARO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601430 484482367 /nfs/dbraw/zinc/48/23/67/484482367.db2.gz CVBFCJGBBWGIFU-SFHVURJKSA-N 1 0 359.430 -0.323 50 0 FBAARO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616430 484545713 /nfs/dbraw/zinc/54/57/13/484545713.db2.gz KDPNDCPTCNWXQQ-SNVBAGLBSA-N 1 0 367.431 -0.664 50 0 FBAARO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616432 484545871 /nfs/dbraw/zinc/54/58/71/484545871.db2.gz KDPNDCPTCNWXQQ-JTQLQIEISA-N 1 0 367.431 -0.664 50 0 FBAARO NS(=O)(=O)c1cc(C(=O)NCCN2CC[NH2+]CC2)cc2c1CCC2 ZINC000170676527 484575097 /nfs/dbraw/zinc/57/50/97/484575097.db2.gz OZNMIYFQYOTHTR-UHFFFAOYSA-N 1 0 352.460 -0.542 50 0 FBAARO CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000179082649 523857932 /nfs/dbraw/zinc/85/79/32/523857932.db2.gz WUXDYIUCFUQEFQ-MRVPVSSYSA-N 1 0 369.223 -0.287 50 0 FBAARO CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CC[NH2+]C1 ZINC000179082664 523857775 /nfs/dbraw/zinc/85/77/75/523857775.db2.gz WUXDYIUCFUQEFQ-QMMMGPOBSA-N 1 0 369.223 -0.287 50 0 FBAARO CN(C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000179094894 523899874 /nfs/dbraw/zinc/89/98/74/523899874.db2.gz OECOLRMMKWFIKC-CJNGLKHVSA-N 1 0 371.441 -0.056 50 0 FBAARO CN(C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)[C@H]1CC[NH2+]C1 ZINC000179094906 523899629 /nfs/dbraw/zinc/89/96/29/523899629.db2.gz OECOLRMMKWFIKC-BBRMVZONSA-N 1 0 371.441 -0.056 50 0 FBAARO CN(C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000179094921 523909983 /nfs/dbraw/zinc/90/99/83/523909983.db2.gz OECOLRMMKWFIKC-CZUORRHYSA-N 1 0 371.441 -0.056 50 0 FBAARO CN(C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)[C@H]1CC[NH2+]C1 ZINC000179094935 523909987 /nfs/dbraw/zinc/90/99/87/523909987.db2.gz OECOLRMMKWFIKC-XJKSGUPXSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000179196989 524584337 /nfs/dbraw/zinc/58/43/37/524584337.db2.gz MOUJZLHAQDQDFN-WFASDCNBSA-N 1 0 359.430 -0.071 50 0 FBAARO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000179196997 524310429 /nfs/dbraw/zinc/31/04/29/524310429.db2.gz MOUJZLHAQDQDFN-DOMZBBRYSA-N 1 0 359.430 -0.071 50 0 FBAARO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000179197009 524583276 /nfs/dbraw/zinc/58/32/76/524583276.db2.gz MOUJZLHAQDQDFN-SWLSCSKDSA-N 1 0 359.430 -0.071 50 0 FBAARO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000179197019 524309883 /nfs/dbraw/zinc/30/98/83/524309883.db2.gz MOUJZLHAQDQDFN-IUODEOHRSA-N 1 0 359.430 -0.071 50 0 FBAARO C[C@@H]1CN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC[NH2+]1 ZINC000188453904 484131384 /nfs/dbraw/zinc/13/13/84/484131384.db2.gz JFDHQWUGBWPDIE-CJNGLKHVSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@@H]1CN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC[NH2+]1 ZINC000188453926 484131842 /nfs/dbraw/zinc/13/18/42/484131842.db2.gz JFDHQWUGBWPDIE-CZUORRHYSA-N 1 0 371.441 -0.056 50 0 FBAARO O=C(CNS(=O)(=O)c1cccc(C(=O)NCCF)c1)N1CC[NH2+]CC1 ZINC000214949436 526885230 /nfs/dbraw/zinc/88/52/30/526885230.db2.gz OWYVSHPOHSODDL-UHFFFAOYSA-N 1 0 372.422 -0.904 50 0 FBAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000214955388 206343743 /nfs/dbraw/zinc/34/37/43/206343743.db2.gz RNEZLRAAJIDWLG-CQSZACIVSA-N 1 0 350.419 -0.360 50 0 FBAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000214955431 483845699 /nfs/dbraw/zinc/84/56/99/483845699.db2.gz RNEZLRAAJIDWLG-AWEZNQCLSA-N 1 0 350.419 -0.360 50 0 FBAARO CS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)NCCC[NH3+])c1 ZINC000215073511 206344568 /nfs/dbraw/zinc/34/45/68/206344568.db2.gz FJTMPBBSTGBVSE-UHFFFAOYSA-N 1 0 363.461 -0.912 50 0 FBAARO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N(CCO)Cc1nccs1 ZINC000215364520 483847209 /nfs/dbraw/zinc/84/72/09/483847209.db2.gz FIBMTFXYAOWYRL-UHFFFAOYSA-N 1 0 365.463 -0.726 50 0 FBAARO Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)[nH]1 ZINC000215487223 483847630 /nfs/dbraw/zinc/84/76/30/483847630.db2.gz RWFBJYVNFARNLZ-GFCCVEGCSA-N 1 0 364.431 -0.317 50 0 FBAARO Cc1nnc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)[nH]1 ZINC000215487267 206347763 /nfs/dbraw/zinc/34/77/63/206347763.db2.gz RWFBJYVNFARNLZ-LBPRGKRZSA-N 1 0 364.431 -0.317 50 0 FBAARO CN(C)C1=NC2(CC[NH+](Cc3cnc(N4CCOCC4)nc3)CC2)C(=O)N1 ZINC000215504856 132270357 /nfs/dbraw/zinc/27/03/57/132270357.db2.gz FWRZMFHUYWESRY-UHFFFAOYSA-N 1 0 373.461 -0.305 50 0 FBAARO O=C(N[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 ZINC000215890951 483850398 /nfs/dbraw/zinc/85/03/98/483850398.db2.gz LQNPKHDCPABESA-CQSZACIVSA-N 1 0 363.443 -0.047 50 0 FBAARO O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCn2ccnc2)c1 ZINC000215890999 483850393 /nfs/dbraw/zinc/85/03/93/483850393.db2.gz LQNPKHDCPABESA-AWEZNQCLSA-N 1 0 363.443 -0.047 50 0 FBAARO CNC(=O)CCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000215898596 483850254 /nfs/dbraw/zinc/85/02/54/483850254.db2.gz ZEAVCBHLNLSQBS-CYBMUJFWSA-N 1 0 368.459 -0.465 50 0 FBAARO CNC(=O)CCN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000215898644 222655561 /nfs/dbraw/zinc/65/55/61/222655561.db2.gz ZEAVCBHLNLSQBS-ZDUSSCGKSA-N 1 0 368.459 -0.465 50 0 FBAARO Cn1nnc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000216027079 483851386 /nfs/dbraw/zinc/85/13/86/483851386.db2.gz QYTVMIADKNSBAH-AWEZNQCLSA-N 1 0 357.418 -0.196 50 0 FBAARO Cn1nnc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000216027132 206353015 /nfs/dbraw/zinc/35/30/15/206353015.db2.gz QYTVMIADKNSBAH-CQSZACIVSA-N 1 0 357.418 -0.196 50 0 FBAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)C[C@@H]1CO ZINC000216145732 483851815 /nfs/dbraw/zinc/85/18/15/483851815.db2.gz VUSOXECAELNWDT-CQSZACIVSA-N 1 0 353.444 -0.171 50 0 FBAARO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)C[C@@H]1O ZINC000216191755 483852129 /nfs/dbraw/zinc/85/21/29/483852129.db2.gz YZJLWKPDPCWAHM-GJZGRUSLSA-N 1 0 353.444 -0.172 50 0 FBAARO Cc1cc(N2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)cc(C)[nH+]1 ZINC000216224593 132271325 /nfs/dbraw/zinc/27/13/25/132271325.db2.gz JFOKGPMFYJGJQI-UHFFFAOYSA-N 1 0 357.414 -0.023 50 0 FBAARO CN1CC[N@H+](C)[C@@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000216615649 132271572 /nfs/dbraw/zinc/27/15/72/132271572.db2.gz BLKLYGRYAXHOMW-HNNXBMFYSA-N 1 0 374.489 -0.166 50 0 FBAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000218855742 483863691 /nfs/dbraw/zinc/86/36/91/483863691.db2.gz IJPJSJPBSOPURH-NEPJUHHUSA-N 1 0 356.423 -0.831 50 0 FBAARO COCC(=O)N1CCN(C)C[C@@H]1C(=O)N1CCC(Cn2ccnc2)CC1 ZINC000219135131 483864633 /nfs/dbraw/zinc/86/46/33/483864633.db2.gz ZIXIKVJUZFTGCK-MRXNPFEDSA-N 1 0 363.462 -0.089 50 0 FBAARO COCC(=O)N1CCN(C)C[C@H]1C(=O)N1CCC(Cn2ccnc2)CC1 ZINC000219135206 483864692 /nfs/dbraw/zinc/86/46/92/483864692.db2.gz ZIXIKVJUZFTGCK-INIZCTEOSA-N 1 0 363.462 -0.089 50 0 FBAARO Cn1c(CN2CCN(c3cnn(C)c(=O)c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000219201465 132274094 /nfs/dbraw/zinc/27/40/94/132274094.db2.gz CUJKDZVJHBVOQX-JOCQHMNTSA-N 1 0 358.450 -0.564 50 0 FBAARO Cn1cc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c(=O)[nH]c1=O ZINC000219206641 483865289 /nfs/dbraw/zinc/86/52/89/483865289.db2.gz SMUORJMSKUIMSL-UHFFFAOYSA-N 1 0 354.410 -0.001 50 0 FBAARO Cc1cc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)nc(N)[nH+]1 ZINC000219367348 132274380 /nfs/dbraw/zinc/27/43/80/132274380.db2.gz VOUFMQJVFXOQPG-UHFFFAOYSA-N 1 0 357.418 -0.041 50 0 FBAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000219479035 483866965 /nfs/dbraw/zinc/86/69/65/483866965.db2.gz NQFUCZGVBHLQKS-AWEZNQCLSA-N 1 0 354.374 -0.251 50 0 FBAARO CCC[C@H]1C[N@H+](CCOC)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000219580151 839763561 /nfs/dbraw/zinc/76/35/61/839763561.db2.gz UHZOFYQOLVSPAE-STQMWFEESA-N 1 0 352.435 -0.439 50 0 FBAARO Nc1nc(NCCO)cc(N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)n1 ZINC000219604518 839763220 /nfs/dbraw/zinc/76/32/20/839763220.db2.gz OMTNXAUCDXZOQR-ZIAGYGMSSA-N 1 0 350.467 -0.006 50 0 FBAARO COc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)nc1OC ZINC000219910937 206393920 /nfs/dbraw/zinc/39/39/20/206393920.db2.gz AOUPPUZTONJRML-OLZOCXBDSA-N 1 0 354.407 -0.041 50 0 FBAARO Cn1c(=O)[nH]cc(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1=O ZINC000219948829 206395937 /nfs/dbraw/zinc/39/59/37/206395937.db2.gz RBHXRURZASEVGA-AWEZNQCLSA-N 1 0 350.419 -0.624 50 0 FBAARO Cn1c(=O)[nH]cc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1=O ZINC000219948895 206395832 /nfs/dbraw/zinc/39/58/32/206395832.db2.gz RBHXRURZASEVGA-CQSZACIVSA-N 1 0 350.419 -0.624 50 0 FBAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000219987316 132275370 /nfs/dbraw/zinc/27/53/70/132275370.db2.gz HIKIORBEDDNVJK-HAQNSBGRSA-N 1 0 355.464 -0.091 50 0 FBAARO CN(C)C(=O)c1nc(CN2CCn3nc([C@H](O)C[NH+](C)C)cc3C2)no1 ZINC000219991002 483869048 /nfs/dbraw/zinc/86/90/48/483869048.db2.gz NLZSYERPTNTWDY-CYBMUJFWSA-N 1 0 363.422 -0.421 50 0 FBAARO CN(C)C(=O)c1nc(CN2CCn3nc([C@@H](O)C[NH+](C)C)cc3C2)no1 ZINC000219991074 483869447 /nfs/dbraw/zinc/86/94/47/483869447.db2.gz NLZSYERPTNTWDY-ZDUSSCGKSA-N 1 0 363.422 -0.421 50 0 FBAARO Cn1c(=O)[nH]cc(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1=O ZINC000220047658 206398026 /nfs/dbraw/zinc/39/80/26/206398026.db2.gz YWVOOFARQXDHMR-UHFFFAOYSA-N 1 0 357.414 -0.208 50 0 FBAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000220180118 206399315 /nfs/dbraw/zinc/39/93/15/206399315.db2.gz KVFRQZOWOXMFKE-XLNGHYISSA-N 1 0 358.402 -0.125 50 0 FBAARO Cn1cc(C(=O)NCC2CC[NH+](C3CCN(C)CC3)CC2)c(=O)[nH]c1=O ZINC000220180352 483870908 /nfs/dbraw/zinc/87/09/08/483870908.db2.gz HBLCHVNVRUXXLR-UHFFFAOYSA-N 1 0 363.462 -0.390 50 0 FBAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000220196708 132275486 /nfs/dbraw/zinc/27/54/86/132275486.db2.gz HIKIORBEDDNVJK-TXEJJXNPSA-N 1 0 355.464 -0.091 50 0 FBAARO Cn1c(CN2CCN(CCS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000220241331 483870732 /nfs/dbraw/zinc/87/07/32/483870732.db2.gz NKJSMWUWNJKIBX-JOCQHMNTSA-N 1 0 356.496 -0.818 50 0 FBAARO Cc1cn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)c(=O)[nH]c1=O ZINC000220335931 483871132 /nfs/dbraw/zinc/87/11/32/483871132.db2.gz QCVZZBKNEHLZSS-SLBVQIDZSA-N 1 0 362.430 -0.397 50 0 FBAARO Cc1ccc(N(CC(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])S(C)(=O)=O)cc1 ZINC000220423725 483871886 /nfs/dbraw/zinc/87/18/86/483871886.db2.gz MALNGZRXOGYZFV-SLBVQIDZSA-N 1 0 353.444 -0.008 50 0 FBAARO Cc1cn(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000220540020 483872137 /nfs/dbraw/zinc/87/21/37/483872137.db2.gz NLEAQHJKXKJAMZ-AWEZNQCLSA-N 1 0 350.419 -0.395 50 0 FBAARO Cc1cn(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000220540088 483872551 /nfs/dbraw/zinc/87/25/51/483872551.db2.gz NLEAQHJKXKJAMZ-CQSZACIVSA-N 1 0 350.419 -0.395 50 0 FBAARO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])cc1 ZINC000220605445 222721009 /nfs/dbraw/zinc/72/10/09/222721009.db2.gz HPEPATAKTPZFIF-SLBVQIDZSA-N 1 0 353.444 -0.242 50 0 FBAARO CN1C[C@@]2(CCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)OC1=O ZINC000221293742 132276367 /nfs/dbraw/zinc/27/63/67/132276367.db2.gz KJPIMMRDNOAVET-QGZVFWFLSA-N 1 0 360.418 -0.348 50 0 FBAARO CN1C[C@]2(CCN(C(=O)CN3CCN(c4ncccn4)CC3)C2)OC1=O ZINC000221293797 132276392 /nfs/dbraw/zinc/27/63/92/132276392.db2.gz KJPIMMRDNOAVET-KRWDZBQOSA-N 1 0 360.418 -0.348 50 0 FBAARO O=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CCC(=O)N2)CC1 ZINC000221329303 132276534 /nfs/dbraw/zinc/27/65/34/132276534.db2.gz AGMMBGSHPDVYEA-UHFFFAOYSA-N 1 0 358.446 -0.130 50 0 FBAARO O=C(CN1CCN(c2ncccn2)CC1)NCCCn1ccccc1=O ZINC000221333137 132276499 /nfs/dbraw/zinc/27/64/99/132276499.db2.gz MHVCXVWRGPGLCR-UHFFFAOYSA-N 1 0 356.430 -0.033 50 0 FBAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000222311409 483882014 /nfs/dbraw/zinc/88/20/14/483882014.db2.gz XTFYFDVYWZETKX-CABCVRRESA-N 1 0 371.459 -0.201 50 0 FBAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1[nH]nc3c1COCC3)C2 ZINC000222491902 483882333 /nfs/dbraw/zinc/88/23/33/483882333.db2.gz XTANMXFBJQVYAG-OAHLLOKOSA-N 1 0 360.418 -0.070 50 0 FBAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1[nH]nc3c1COCC3)C2 ZINC000222491960 483882626 /nfs/dbraw/zinc/88/26/26/483882626.db2.gz XTANMXFBJQVYAG-HNNXBMFYSA-N 1 0 360.418 -0.070 50 0 FBAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2 ZINC000222618926 483883068 /nfs/dbraw/zinc/88/30/68/483883068.db2.gz GJAGBAWIFMYBBD-OAHLLOKOSA-N 1 0 360.418 -0.464 50 0 FBAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1ccc(=O)[nH]n1)C2 ZINC000222619007 483883088 /nfs/dbraw/zinc/88/30/88/483883088.db2.gz GJAGBAWIFMYBBD-HNNXBMFYSA-N 1 0 360.418 -0.464 50 0 FBAARO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000222657636 483882881 /nfs/dbraw/zinc/88/28/81/483882881.db2.gz GRZFZIIAUAFGLI-GJZGRUSLSA-N 1 0 358.398 -0.112 50 0 FBAARO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000222685599 483883340 /nfs/dbraw/zinc/88/33/40/483883340.db2.gz JSKBCZHVKYVVEO-KBPBESRZSA-N 1 0 369.443 -0.064 50 0 FBAARO NC(=O)CO[C@H]1CCOC[C@H]1[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000223040906 483884569 /nfs/dbraw/zinc/88/45/69/483884569.db2.gz ZADGBTBKTNWRRE-CVEARBPZSA-N 1 0 362.430 -0.065 50 0 FBAARO CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000223119328 222766071 /nfs/dbraw/zinc/76/60/71/222766071.db2.gz SIOBANCPPZYOGG-XLNGHYISSA-N 1 0 359.430 -0.037 50 0 FBAARO CCn1nccc1S(=O)(=O)N1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223238994 483885981 /nfs/dbraw/zinc/88/59/81/483885981.db2.gz AJMIDSXZYCVWCH-AWEZNQCLSA-N 1 0 368.463 -0.101 50 0 FBAARO NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000223624104 483887756 /nfs/dbraw/zinc/88/77/56/483887756.db2.gz RQBNSMXUKJMGOW-CVEARBPZSA-N 1 0 369.462 -0.347 50 0 FBAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000223654482 483887760 /nfs/dbraw/zinc/88/77/60/483887760.db2.gz RVFQMFBLSJNVBB-HUUCEWRRSA-N 1 0 371.459 -0.201 50 0 FBAARO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000223858093 483888556 /nfs/dbraw/zinc/88/85/56/483888556.db2.gz DHEWZXIDMSEMMX-AWEZNQCLSA-N 1 0 353.444 -0.538 50 0 FBAARO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000223858149 483888560 /nfs/dbraw/zinc/88/85/60/483888560.db2.gz DHEWZXIDMSEMMX-CQSZACIVSA-N 1 0 353.444 -0.538 50 0 FBAARO Cn1c(CN2CCN(c3cnn(C)c(=O)c3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223873667 132280583 /nfs/dbraw/zinc/28/05/83/132280583.db2.gz CUJKDZVJHBVOQX-BETUJISGSA-N 1 0 358.450 -0.564 50 0 FBAARO Cn1c(=O)[nH]cc(CC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1=O ZINC000223916292 483888682 /nfs/dbraw/zinc/88/86/82/483888682.db2.gz LANSSCJHDAQIDN-UHFFFAOYSA-N 1 0 368.437 -0.072 50 0 FBAARO Cn1c(CN2CCN(CCS(C)(=O)=O)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223939162 483888549 /nfs/dbraw/zinc/88/85/49/483888549.db2.gz NKJSMWUWNJKIBX-BETUJISGSA-N 1 0 356.496 -0.818 50 0 FBAARO C[NH+](C)CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000225399656 483893349 /nfs/dbraw/zinc/89/33/49/483893349.db2.gz AHDFQJSQOAHSHD-CYBMUJFWSA-N 1 0 370.475 -0.296 50 0 FBAARO C[NH+](C)CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000225399696 483892843 /nfs/dbraw/zinc/89/28/43/483892843.db2.gz AHDFQJSQOAHSHD-ZDUSSCGKSA-N 1 0 370.475 -0.296 50 0 FBAARO COc1cc2c(cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)OCC(=O)N2 ZINC000225480528 483893112 /nfs/dbraw/zinc/89/31/12/483893112.db2.gz HZNOVRHMPZXLKQ-HNNXBMFYSA-N 1 0 373.431 -0.383 50 0 FBAARO COc1cc2c(cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)OCC(=O)N2 ZINC000225480565 222844122 /nfs/dbraw/zinc/84/41/22/222844122.db2.gz HZNOVRHMPZXLKQ-OAHLLOKOSA-N 1 0 373.431 -0.383 50 0 FBAARO CCn1nccc1S(=O)(=O)N1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000230554467 483907140 /nfs/dbraw/zinc/90/71/40/483907140.db2.gz AJMIDSXZYCVWCH-CQSZACIVSA-N 1 0 368.463 -0.101 50 0 FBAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000237091450 209334892 /nfs/dbraw/zinc/33/48/92/209334892.db2.gz MMXBKURQEJQARP-SNVBAGLBSA-N 1 0 352.416 -0.164 50 0 FBAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000237269848 222907023 /nfs/dbraw/zinc/90/70/23/222907023.db2.gz MMXBKURQEJQARP-JTQLQIEISA-N 1 0 352.416 -0.164 50 0 FBAARO C[C@@H]1C[NH+](CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@@H](C)O1 ZINC000237399248 483876697 /nfs/dbraw/zinc/87/66/97/483876697.db2.gz YWBOMMBPZCVLCZ-HUUCEWRRSA-N 1 0 352.479 -0.234 50 0 FBAARO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000237431849 483877374 /nfs/dbraw/zinc/87/73/74/483877374.db2.gz QHEVUUJZJNEVTR-HZPDHXFCSA-N 1 0 351.495 -0.565 50 0 FBAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000237451954 209347935 /nfs/dbraw/zinc/34/79/35/209347935.db2.gz VFXOFKLLJSXBQZ-CJNGLKHVSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000237452601 483877902 /nfs/dbraw/zinc/87/79/02/483877902.db2.gz VFXOFKLLJSXBQZ-CZUORRHYSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@@H]1C[NH3+] ZINC000237485516 483879976 /nfs/dbraw/zinc/87/99/76/483879976.db2.gz OYMZGNVXXLDXFP-NOZJJQNGSA-N 1 0 352.416 -0.036 50 0 FBAARO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237602970 209351571 /nfs/dbraw/zinc/35/15/71/209351571.db2.gz YWBOMMBPZCVLCZ-GASCZTMLSA-N 1 0 352.479 -0.234 50 0 FBAARO C[C@H]1C[NH+](CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237603003 483882285 /nfs/dbraw/zinc/88/22/85/483882285.db2.gz YWBOMMBPZCVLCZ-GJZGRUSLSA-N 1 0 352.479 -0.234 50 0 FBAARO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000237606838 483882416 /nfs/dbraw/zinc/88/24/16/483882416.db2.gz QHEVUUJZJNEVTR-IYBDPMFKSA-N 1 0 351.495 -0.565 50 0 FBAARO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000237609738 483882623 /nfs/dbraw/zinc/88/26/23/483882623.db2.gz QHEVUUJZJNEVTR-HOTGVXAUSA-N 1 0 351.495 -0.565 50 0 FBAARO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000237627115 483882783 /nfs/dbraw/zinc/88/27/83/483882783.db2.gz VFXOFKLLJSXBQZ-BBRMVZONSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000237627727 206107013 /nfs/dbraw/zinc/10/70/13/206107013.db2.gz VFXOFKLLJSXBQZ-XJKSGUPXSA-N 1 0 371.441 -0.056 50 0 FBAARO Cn1cc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)n(C)c1=O ZINC000237677602 483883701 /nfs/dbraw/zinc/88/37/01/483883701.db2.gz CIJCHAWGIYRCLJ-HNNXBMFYSA-N 1 0 372.425 -0.147 50 0 FBAARO C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)[C@@H]1C[NH3+] ZINC000237680653 209351809 /nfs/dbraw/zinc/35/18/09/209351809.db2.gz OYMZGNVXXLDXFP-TVQRCGJNSA-N 1 0 352.416 -0.036 50 0 FBAARO Cn1cc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)n(C)c1=O ZINC000237681019 209352021 /nfs/dbraw/zinc/35/20/21/209352021.db2.gz CIJCHAWGIYRCLJ-OAHLLOKOSA-N 1 0 372.425 -0.147 50 0 FBAARO C[C@H]1CN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC[NH2+]1 ZINC000237753214 483885008 /nfs/dbraw/zinc/88/50/08/483885008.db2.gz JFDHQWUGBWPDIE-BBRMVZONSA-N 1 0 371.441 -0.056 50 0 FBAARO C[C@H]1CN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC[NH2+]1 ZINC000237754429 209354213 /nfs/dbraw/zinc/35/42/13/209354213.db2.gz JFDHQWUGBWPDIE-XJKSGUPXSA-N 1 0 371.441 -0.056 50 0 FBAARO Cn1ccnc1[C@@](O)(CCNC(=O)CN1CCNCC1=O)C(F)(F)F ZINC000237902115 484291552 /nfs/dbraw/zinc/29/15/52/484291552.db2.gz CBUDPOHPROBOAL-ZDUSSCGKSA-N 1 0 363.340 -0.892 50 0 FBAARO Cn1ccnc1[C@](O)(CCNC(=O)CN1CCNCC1=O)C(F)(F)F ZINC000237911193 484292914 /nfs/dbraw/zinc/29/29/14/484292914.db2.gz CBUDPOHPROBOAL-CYBMUJFWSA-N 1 0 363.340 -0.892 50 0 FBAARO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[NH2+]CC1 ZINC000237987656 209358368 /nfs/dbraw/zinc/35/83/68/209358368.db2.gz VTFVEWIXYBXRQL-INIZCTEOSA-N 1 0 371.441 -0.054 50 0 FBAARO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[NH2+]CC1 ZINC000237987708 243264556 /nfs/dbraw/zinc/26/45/56/243264556.db2.gz FUMSNDDQWPFXBH-HNNXBMFYSA-N 1 0 357.414 -0.444 50 0 FBAARO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[NH2+]CC1 ZINC000238033306 206113768 /nfs/dbraw/zinc/11/37/68/206113768.db2.gz VTFVEWIXYBXRQL-MRXNPFEDSA-N 1 0 371.441 -0.054 50 0 FBAARO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC[NH2+]CC1 ZINC000238033339 243268566 /nfs/dbraw/zinc/26/85/66/243268566.db2.gz FUMSNDDQWPFXBH-OAHLLOKOSA-N 1 0 357.414 -0.444 50 0 FBAARO O=C(CN1CCNCC1=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000238152828 206114945 /nfs/dbraw/zinc/11/49/45/206114945.db2.gz BTUUYQKLELJSNN-UHFFFAOYSA-N 1 0 360.458 -0.309 50 0 FBAARO CN(C)S(=O)(=O)NCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000242147491 484011889 /nfs/dbraw/zinc/01/18/89/484011889.db2.gz WSEUBBOVPPMIOP-UHFFFAOYSA-N 1 0 369.491 -0.260 50 0 FBAARO COCCn1c(CN2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243885647 484035125 /nfs/dbraw/zinc/03/51/25/484035125.db2.gz ABEOGZPNJJAFLL-BETUJISGSA-N 1 0 372.495 -0.794 50 0 FBAARO COCCn1c(CN2CCN(C(=O)N(C)C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243932717 484036856 /nfs/dbraw/zinc/03/68/56/484036856.db2.gz BYJAVCAOJJHEQQ-HDJSIYSDSA-N 1 0 365.482 -0.072 50 0 FBAARO COCCn1c(CN2CCc3[nH][nH]c(=O)c3CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244574766 484048110 /nfs/dbraw/zinc/04/81/10/484048110.db2.gz CRARUXZTILNYIR-TXEJJXNPSA-N 1 0 361.450 -0.254 50 0 FBAARO COCCn1c(CNC2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244659531 484047108 /nfs/dbraw/zinc/04/71/08/484047108.db2.gz HEGQEQZHVVSDRP-TXEJJXNPSA-N 1 0 357.480 -0.204 50 0 FBAARO O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000244708017 132290241 /nfs/dbraw/zinc/29/02/41/132290241.db2.gz KMAKTHXVMWOTCS-HOTGVXAUSA-N 1 0 360.462 -0.422 50 0 FBAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3COC[C@@H]3N3CCOCC3)nn2)CC1 ZINC000244716110 527414233 /nfs/dbraw/zinc/41/42/33/527414233.db2.gz LIOWGJHBJYUOLP-XRGAULLZSA-N 1 0 364.450 -0.450 50 0 FBAARO CCn1c(CN2CCN(c3cnn(C)c(=O)c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244724703 535983018 /nfs/dbraw/zinc/98/30/18/535983018.db2.gz MZCHBAMBUWIVLV-OKILXGFUSA-N 1 0 372.477 -0.081 50 0 FBAARO CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CN3CCC[N@H+](C)CC3)C2)n1C ZINC000244764118 484047902 /nfs/dbraw/zinc/04/79/02/484047902.db2.gz PBRSIADLCVWXMF-GASCZTMLSA-N 1 0 363.510 -0.124 50 0 FBAARO COc1cc(=O)n2c(c1C(=O)NCCSc1c[nH]nn1)CC[NH2+]CC2 ZINC000244764137 484047158 /nfs/dbraw/zinc/04/71/58/484047158.db2.gz PBZCZHPOHOLKQD-UHFFFAOYSA-N 1 0 364.431 -0.357 50 0 FBAARO COCc1cc(CNC(=O)c2c(OC)cc(=O)n3c2CC[NH2+]CC3)[nH]n1 ZINC000244774048 484048192 /nfs/dbraw/zinc/04/81/92/484048192.db2.gz PNBMNHRGMWKYPM-UHFFFAOYSA-N 1 0 361.402 -0.198 50 0 FBAARO CS(=O)(=O)N1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244794911 658820588 /nfs/dbraw/zinc/82/05/88/658820588.db2.gz QWEZRLSWARUUCL-TXEJJXNPSA-N 1 0 354.480 -0.105 50 0 FBAARO CN(C)C1=NC2(CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)CC2)C(=O)N1 ZINC000244795507 484046963 /nfs/dbraw/zinc/04/69/63/484046963.db2.gz RHNIIMYPJHESMZ-TXEJJXNPSA-N 1 0 360.466 -0.598 50 0 FBAARO COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC000244796169 484049081 /nfs/dbraw/zinc/04/90/81/484049081.db2.gz RUEZMPFCBVRXEH-JOCQHMNTSA-N 1 0 367.450 -0.764 50 0 FBAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCS(=O)(=O)N3CCCC3)nn2)CC1 ZINC000244816884 527413671 /nfs/dbraw/zinc/41/36/71/527413671.db2.gz SQIATECWMCNMMW-BETUJISGSA-N 1 0 370.479 -0.124 50 0 FBAARO CCc1nc(CCNC(=O)c2c(OC)cc(=O)n3c2CC[NH2+]CC3)no1 ZINC000244828536 484049389 /nfs/dbraw/zinc/04/93/89/484049389.db2.gz TYAHHNPVJRZRAK-UHFFFAOYSA-N 1 0 361.402 -0.080 50 0 FBAARO CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)CN(C)C2CC[NH2+]CC2)C1 ZINC000244873213 484050142 /nfs/dbraw/zinc/05/01/42/484050142.db2.gz WLZGZNLNGRFMIZ-JOCQHMNTSA-N 1 0 350.467 -0.164 50 0 FBAARO Cn1ncc(N2CCN(c3cc([C@H]4C[C@@H](O)C4)[nH+]c(N)n3)CC2)cc1=O ZINC000244873300 132291294 /nfs/dbraw/zinc/29/12/94/132291294.db2.gz WNQIPEJUJLGUAV-BJHJDKERSA-N 1 0 357.418 -0.283 50 0 FBAARO CCn1c(Cn2nc(N3CCOCC3)ccc2=O)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244884189 132291665 /nfs/dbraw/zinc/29/16/65/132291665.db2.gz YHBUQNXXWGWDLF-BETUJISGSA-N 1 0 359.434 -0.056 50 0 FBAARO Cn1c(CN2CCN(CCN3CCOCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244899773 484048940 /nfs/dbraw/zinc/04/89/40/484048940.db2.gz ZPUKMGYVEHOTIH-WKILWMFISA-N 1 0 363.510 -0.530 50 0 FBAARO CN1CCN(C(=O)c2ccnc(N3CCN4CC[N@H+](C)C[C@H]4C3)c2)CC1 ZINC000244899865 523882690 /nfs/dbraw/zinc/88/26/90/523882690.db2.gz ZRTRURGBNVTYTK-KRWDZBQOSA-N 1 0 358.490 -0.095 50 0 FBAARO O=C(CN1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000247647688 483900415 /nfs/dbraw/zinc/90/04/15/483900415.db2.gz VSKOGQMPOIQEED-MRXNPFEDSA-N 1 0 352.479 -0.400 50 0 FBAARO Nc1cc(N)[nH+]c(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000252479561 484033036 /nfs/dbraw/zinc/03/30/36/484033036.db2.gz BHOZYDWXUFNBDB-UHFFFAOYSA-N 1 0 368.444 -0.303 50 0 FBAARO CCn1cnnc1CCNC(=O)c1c(OC)cc(=O)n2c1CC[NH2+]CC2 ZINC000252485618 484230367 /nfs/dbraw/zinc/23/03/67/484230367.db2.gz HAIZTZBAXXSMFD-UHFFFAOYSA-N 1 0 360.418 -0.414 50 0 FBAARO COc1cc(=O)n2c(c1C(=O)NCCc1nnc(N)s1)CC[NH2+]CC2 ZINC000252495494 222974181 /nfs/dbraw/zinc/97/41/81/222974181.db2.gz ORTFNTICJPXAAW-UHFFFAOYSA-N 1 0 364.431 -0.591 50 0 FBAARO COc1cc(=O)n2c(c1C(=O)NCc1cnc3cnccn13)CC[NH2+]CC2 ZINC000252508479 209936648 /nfs/dbraw/zinc/93/66/48/209936648.db2.gz XNVQOCILAQDFQP-UHFFFAOYSA-N 1 0 368.397 -0.025 50 0 FBAARO C[C@@H](CCC(=O)N1CCN(CCn2cncn2)CC1)[NH+]1CCOCC1 ZINC000252510051 658925855 /nfs/dbraw/zinc/92/58/55/658925855.db2.gz ZASPUPAFPHPLFJ-INIZCTEOSA-N 1 0 350.467 -0.077 50 0 FBAARO C[C@H](CCC(=O)N1CCN(CCn2cncn2)CC1)[NH+]1CCOCC1 ZINC000252510052 658925911 /nfs/dbraw/zinc/92/59/11/658925911.db2.gz ZASPUPAFPHPLFJ-MRXNPFEDSA-N 1 0 350.467 -0.077 50 0 FBAARO COCCn1c(CN2C[C@H](CO)C[C@H](CO)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252537328 484230317 /nfs/dbraw/zinc/23/03/17/484230317.db2.gz KYMACVYFZQMCQE-BIQWYFBQSA-N 1 0 353.467 -0.448 50 0 FBAARO CCn1c(CN2CCc3c(c(C(N)=O)nn3C)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252551852 222981564 /nfs/dbraw/zinc/98/15/64/222981564.db2.gz UIBGWBDMVXSZTD-PHIMTYICSA-N 1 0 358.450 -0.107 50 0 FBAARO Cn1c(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000253378432 484238080 /nfs/dbraw/zinc/23/80/80/484238080.db2.gz FFLMZUPYAMOSQR-HAQNSBGRSA-N 1 0 361.450 -0.122 50 0 FBAARO CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000253378523 484237442 /nfs/dbraw/zinc/23/74/42/484237442.db2.gz PSUFPGONSYGMIR-OKILXGFUSA-N 1 0 350.467 -0.210 50 0 FBAARO Cn1c(CN2CCN(c3cc(=O)nc(N)[nH]3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253535036 132293922 /nfs/dbraw/zinc/29/39/22/132293922.db2.gz ARBSNFAQMXRVPQ-PHIMTYICSA-N 1 0 359.438 -0.580 50 0 FBAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000253536755 484239722 /nfs/dbraw/zinc/23/97/22/484239722.db2.gz NGGPPKCDUXKJQJ-RYUDHWBXSA-N 1 0 361.402 -0.209 50 0 FBAARO CC(=O)N1CC[C@]2(O)CC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)C[C@@H]2C1 ZINC000253536768 484239554 /nfs/dbraw/zinc/23/95/54/484239554.db2.gz NYKWIHHKIAVTMG-RHSMWYFYSA-N 1 0 350.419 -0.437 50 0 FBAARO CCS(=O)(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257177211 658657409 /nfs/dbraw/zinc/65/74/09/658657409.db2.gz DMBWPKCIQKRFII-AWEZNQCLSA-N 1 0 359.492 -0.019 50 0 FBAARO CCS(=O)(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257177212 660108036 /nfs/dbraw/zinc/10/80/36/660108036.db2.gz DMBWPKCIQKRFII-CQSZACIVSA-N 1 0 359.492 -0.019 50 0 FBAARO Cc1onc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c1CN1CCOCC1 ZINC000257177907 658658051 /nfs/dbraw/zinc/65/80/51/658658051.db2.gz YKCTVUHLPKMSOY-DZGCQCFKSA-N 1 0 352.435 -0.190 50 0 FBAARO CS(=O)(=O)N1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257195028 658659193 /nfs/dbraw/zinc/65/91/93/658659193.db2.gz VFOFHQUNVQAJIU-UHFFFAOYSA-N 1 0 367.475 -0.344 50 0 FBAARO C[NH+](C)[C@@H]1CN(C(=O)c2cc(CN3CCOCC3)on2)CC[C@@H]1CO ZINC000257196450 658659214 /nfs/dbraw/zinc/65/92/14/658659214.db2.gz YGCJFOGRKBAUKQ-CZUORRHYSA-N 1 0 352.435 -0.109 50 0 FBAARO COCCNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)C2CCC2)CC1 ZINC000257196659 660109475 /nfs/dbraw/zinc/10/94/75/660109475.db2.gz YPOFEPRFAXMAJB-CVEARBPZSA-N 1 0 353.463 -0.025 50 0 FBAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262055548 525092446 /nfs/dbraw/zinc/09/24/46/525092446.db2.gz XDMCKUDQCVTFRA-NEPJUHHUSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262055553 524691947 /nfs/dbraw/zinc/69/19/47/524691947.db2.gz XDMCKUDQCVTFRA-NWDGAFQWSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262055560 524690510 /nfs/dbraw/zinc/69/05/10/524690510.db2.gz XDMCKUDQCVTFRA-RYUDHWBXSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000262055566 525090906 /nfs/dbraw/zinc/09/09/06/525090906.db2.gz XDMCKUDQCVTFRA-VXGBXAGGSA-N 1 0 366.443 -0.493 50 0 FBAARO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]([NH3+])C3)CC2=O)c1 ZINC000262508509 527362616 /nfs/dbraw/zinc/36/26/16/527362616.db2.gz JECNJZNFIGIKNB-GHMZBOCLSA-N 1 0 352.416 -0.754 50 0 FBAARO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[C@@H]([NH3+])C3)CC2=O)c1 ZINC000262508510 527362822 /nfs/dbraw/zinc/36/28/22/527362822.db2.gz JECNJZNFIGIKNB-WDEREUQCSA-N 1 0 352.416 -0.754 50 0 FBAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]1 ZINC000262610443 524845268 /nfs/dbraw/zinc/84/52/68/524845268.db2.gz DJMADMFQTUMEEL-NEPJUHHUSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]1 ZINC000262610445 524517448 /nfs/dbraw/zinc/51/74/48/524517448.db2.gz DJMADMFQTUMEEL-NWDGAFQWSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]1 ZINC000262610447 524519410 /nfs/dbraw/zinc/51/94/10/524519410.db2.gz DJMADMFQTUMEEL-RYUDHWBXSA-N 1 0 366.443 -0.493 50 0 FBAARO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC[NH2+]1 ZINC000262610449 524836993 /nfs/dbraw/zinc/83/69/93/524836993.db2.gz DJMADMFQTUMEEL-VXGBXAGGSA-N 1 0 366.443 -0.493 50 0 FBAARO COC(=O)c1cn(CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc2c(=O)[nH]nc1-2 ZINC000263586974 483876191 /nfs/dbraw/zinc/87/61/91/483876191.db2.gz ALVXFPLNFSRFLF-SECBINFHSA-N 1 0 354.388 -0.761 50 0 FBAARO COC(=O)c1cn(CC[NH2+][C@H]2CCS(=O)(=O)C2)cc2c(=O)[nH]nc1-2 ZINC000263586975 483876346 /nfs/dbraw/zinc/87/63/46/483876346.db2.gz ALVXFPLNFSRFLF-VIFPVBQESA-N 1 0 354.388 -0.761 50 0 FBAARO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]([NH3+])C3)CC2=O)c1 ZINC000269185237 527410047 /nfs/dbraw/zinc/41/00/47/527410047.db2.gz JECNJZNFIGIKNB-MNOVXSKESA-N 1 0 352.416 -0.754 50 0 FBAARO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[C@H]([NH3+])C3)CC2=O)c1 ZINC000269185238 527410464 /nfs/dbraw/zinc/41/04/64/527410464.db2.gz JECNJZNFIGIKNB-QWRGUYRKSA-N 1 0 352.416 -0.754 50 0 FBAARO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2S1(=O)=O ZINC000299739276 533340984 /nfs/dbraw/zinc/34/09/84/533340984.db2.gz MSARFZFIHSWDDB-LLVKDONJSA-N 1 0 367.427 -0.089 50 0 FBAARO COCCN1C(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2S1(=O)=O ZINC000299739277 484880657 /nfs/dbraw/zinc/88/06/57/484880657.db2.gz MSARFZFIHSWDDB-NSHDSACASA-N 1 0 367.427 -0.089 50 0 FBAARO CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299755096 483867634 /nfs/dbraw/zinc/86/76/34/483867634.db2.gz BLTZAYYWKCGECE-HNNXBMFYSA-N 1 0 371.459 -0.196 50 0 FBAARO CS(=O)(=O)N1CCO[C@H](CNC(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299755097 203751831 /nfs/dbraw/zinc/75/18/31/203751831.db2.gz BLTZAYYWKCGECE-OAHLLOKOSA-N 1 0 371.459 -0.196 50 0 FBAARO COc1cccc(C(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)c1OCCC[NH3+] ZINC000299761139 533394831 /nfs/dbraw/zinc/39/48/31/533394831.db2.gz SELQMUMZRZMOHN-CHWSQXEVSA-N 1 0 372.443 -0.347 50 0 FBAARO CCc1cc(N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000299761372 132297955 /nfs/dbraw/zinc/29/79/55/132297955.db2.gz VVAKRZWTMUFXND-CHWSQXEVSA-N 1 0 372.495 -0.559 50 0 FBAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000299763598 534565163 /nfs/dbraw/zinc/56/51/63/534565163.db2.gz YJGJDZUXYJXTFM-AWEZNQCLSA-N 1 0 372.433 -0.514 50 0 FBAARO C[C@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)[NH+]1CCCC1 ZINC000299764981 203756720 /nfs/dbraw/zinc/75/67/20/203756720.db2.gz WUNDPVPSTBSTPV-GFCCVEGCSA-N 1 0 355.464 -0.241 50 0 FBAARO C[C@@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)[NH+]1CCCC1 ZINC000299764982 483867734 /nfs/dbraw/zinc/86/77/34/483867734.db2.gz WUNDPVPSTBSTPV-LBPRGKRZSA-N 1 0 355.464 -0.241 50 0 FBAARO C[N@@H+]1CCCN(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)CC1 ZINC000299780087 659928312 /nfs/dbraw/zinc/92/83/12/659928312.db2.gz SWOYVCSPUYNXMI-HZPDHXFCSA-N 1 0 367.519 -0.168 50 0 FBAARO Cc1ccc(OCC[NH3+])c(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)c1 ZINC000299783164 223095034 /nfs/dbraw/zinc/09/50/34/223095034.db2.gz XYEYQCQKQJTILX-CYBMUJFWSA-N 1 0 371.459 -0.277 50 0 FBAARO Cc1ccc(OCC[NH3+])c(C(=O)NC[C@H]2CN(S(C)(=O)=O)CCO2)c1 ZINC000299783169 210027405 /nfs/dbraw/zinc/02/74/05/210027405.db2.gz XYEYQCQKQJTILX-ZDUSSCGKSA-N 1 0 371.459 -0.277 50 0 FBAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000299783210 132299614 /nfs/dbraw/zinc/29/96/14/132299614.db2.gz ZGERBEDHIQHFQJ-HOTGVXAUSA-N 1 0 362.478 -0.178 50 0 FBAARO CS(=O)(=O)N1CCn2nc(CNC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)cc2C1 ZINC000299784923 533396256 /nfs/dbraw/zinc/39/62/56/533396256.db2.gz IJNHJZDOJCNWDF-OCCSQVGLSA-N 1 0 367.475 -0.241 50 0 FBAARO COCCN1C[C@@H](C[NH+]2CCC(c3nnc(CO)n3C)CC2)CC1=O ZINC000299788801 483868098 /nfs/dbraw/zinc/86/80/98/483868098.db2.gz VPUUAJWDMOHULU-CYBMUJFWSA-N 1 0 351.451 -0.018 50 0 FBAARO COCCN1C[C@H](C[NH+]2CCC(c3nnc(CO)n3C)CC2)CC1=O ZINC000299788803 210031231 /nfs/dbraw/zinc/03/12/31/210031231.db2.gz VPUUAJWDMOHULU-ZDUSSCGKSA-N 1 0 351.451 -0.018 50 0 FBAARO COc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1OCCC[NH3+] ZINC000299796361 533399488 /nfs/dbraw/zinc/39/94/88/533399488.db2.gz LXDJYBNLRUHTJH-UHFFFAOYSA-N 1 0 372.447 -0.616 50 0 FBAARO Cc1cc(N2CCN(C(=O)c3cnc4cc(=O)[nH]n4c3C)CC2)nc(N)[nH+]1 ZINC000299800906 132300531 /nfs/dbraw/zinc/30/05/31/132300531.db2.gz XAFOXGQKLNCCHG-UHFFFAOYSA-N 1 0 368.401 -0.026 50 0 FBAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H]1COCC[N@H+](C)C1 ZINC000299802677 132300804 /nfs/dbraw/zinc/30/08/04/132300804.db2.gz VQCMCMITQHGUON-HNNXBMFYSA-N 1 0 362.478 -0.155 50 0 FBAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H]1COCC[N@H+](C)C1 ZINC000299802679 132301196 /nfs/dbraw/zinc/30/11/96/132301196.db2.gz VQCMCMITQHGUON-OAHLLOKOSA-N 1 0 362.478 -0.155 50 0 FBAARO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(NC(N)=O)CC1 ZINC000332507876 484418648 /nfs/dbraw/zinc/41/86/48/484418648.db2.gz IOHWEOLCVSUDLT-CYBMUJFWSA-N 1 0 361.450 -0.354 50 0 FBAARO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(NC(N)=O)CC1 ZINC000332507878 484418945 /nfs/dbraw/zinc/41/89/45/484418945.db2.gz IOHWEOLCVSUDLT-ZDUSSCGKSA-N 1 0 361.450 -0.354 50 0 FBAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000426373598 485336839 /nfs/dbraw/zinc/33/68/39/485336839.db2.gz JRMXONGHTASXKO-AWEZNQCLSA-N 1 0 357.414 -0.021 50 0 FBAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000426373599 485337142 /nfs/dbraw/zinc/33/71/42/485337142.db2.gz JRMXONGHTASXKO-CQSZACIVSA-N 1 0 357.414 -0.021 50 0 FBAARO C[N@H+](CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)CCc1ccccc1 ZINC000426394618 485337043 /nfs/dbraw/zinc/33/70/43/485337043.db2.gz PDUHMVONVIZLHQ-HNNXBMFYSA-N 1 0 371.441 -0.108 50 0 FBAARO C[N@H+](CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)CCc1ccccc1 ZINC000426394619 485337055 /nfs/dbraw/zinc/33/70/55/485337055.db2.gz PDUHMVONVIZLHQ-OAHLLOKOSA-N 1 0 371.441 -0.108 50 0 FBAARO C[NH+](C)CC1(O)CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1 ZINC000426399186 484087077 /nfs/dbraw/zinc/08/70/77/484087077.db2.gz IRCPWDUQWKGRJF-AWEZNQCLSA-N 1 0 365.478 0.278 50 0 FBAARO C[NH+](C)CC1(O)CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1 ZINC000426399187 484086482 /nfs/dbraw/zinc/08/64/82/484086482.db2.gz IRCPWDUQWKGRJF-CQSZACIVSA-N 1 0 365.478 0.278 50 0 FBAARO CCC(=O)NCc1cc2n(n1)CCN(C(=O)CN1CCC[N@H+](C)CC1)C2 ZINC000426401828 485336950 /nfs/dbraw/zinc/33/69/50/485336950.db2.gz KPEYWBHMUSLWRO-UHFFFAOYSA-N 1 0 362.478 -0.111 50 0 FBAARO CNC(=O)c1[nH]nc2c1CN(C(=O)NCC1CC[NH+](CCO)CC1)CC2 ZINC000426414259 485338342 /nfs/dbraw/zinc/33/83/42/485338342.db2.gz GIJRBGNIEFQZEG-UHFFFAOYSA-N 1 0 364.450 -0.459 50 0 FBAARO COc1cc(=O)n2c(c1C(=O)N1CCc3c(nc[nH]c3=O)C1)CC[NH2+]CC2 ZINC000426434478 483911584 /nfs/dbraw/zinc/91/15/84/483911584.db2.gz OHLHDSLVWHRLFM-UHFFFAOYSA-N 1 0 371.397 -0.303 50 0 FBAARO CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)CC1 ZINC000426434600 658926259 /nfs/dbraw/zinc/92/62/59/658926259.db2.gz XGFNLAOZKUGPMO-HZPDHXFCSA-N 1 0 367.519 -0.168 50 0 FBAARO CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000426443051 485338278 /nfs/dbraw/zinc/33/82/78/485338278.db2.gz SLCYTNOPOLQMCW-AWEZNQCLSA-N 1 0 362.430 -0.201 50 0 FBAARO CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000426443052 485337740 /nfs/dbraw/zinc/33/77/40/485337740.db2.gz SLCYTNOPOLQMCW-CQSZACIVSA-N 1 0 362.430 -0.201 50 0 FBAARO COc1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1OCC[NH3+] ZINC000426465455 483912794 /nfs/dbraw/zinc/91/27/94/483912794.db2.gz NNQOUWZCLOBOTR-LLVKDONJSA-N 1 0 357.432 -0.217 50 0 FBAARO COc1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1OCC[NH3+] ZINC000426465456 263595395 /nfs/dbraw/zinc/59/53/95/263595395.db2.gz NNQOUWZCLOBOTR-NSHDSACASA-N 1 0 357.432 -0.217 50 0 FBAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)N1CCN(c2nc[nH]n2)CC1 ZINC000426473069 485338074 /nfs/dbraw/zinc/33/80/74/485338074.db2.gz ZYGLALQSRBSABB-AWEZNQCLSA-N 1 0 351.455 -0.127 50 0 FBAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)N1CCN(c2nc[nH]n2)CC1 ZINC000426473073 485337752 /nfs/dbraw/zinc/33/77/52/485337752.db2.gz ZYGLALQSRBSABB-CQSZACIVSA-N 1 0 351.455 -0.127 50 0 FBAARO CNC(=O)CN(C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426477906 485338018 /nfs/dbraw/zinc/33/80/18/485338018.db2.gz LAPIXDOCBUKXLS-RVSXGSNBSA-N 1 0 371.485 -0.059 50 0 FBAARO CNC(=O)CN(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426477908 485337837 /nfs/dbraw/zinc/33/78/37/485337837.db2.gz LAPIXDOCBUKXLS-VDUSKEEQSA-N 1 0 371.485 -0.059 50 0 FBAARO CC(=O)NCCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426479015 485338285 /nfs/dbraw/zinc/33/82/85/485338285.db2.gz RISFDWCIYUGNQE-IPCDKGFNSA-N 1 0 371.485 -0.011 50 0 FBAARO CC(=O)NCCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426479020 263600050 /nfs/dbraw/zinc/60/00/50/263600050.db2.gz RISFDWCIYUGNQE-KGXSXCIVSA-N 1 0 371.485 -0.011 50 0 FBAARO CS(=O)(=O)N1CCO[C@@H](CNC(=O)Cc2ccc(OCC[NH3+])cc2)C1 ZINC000426487317 483915126 /nfs/dbraw/zinc/91/51/26/483915126.db2.gz ITVWYVFOPLCKAT-HNNXBMFYSA-N 1 0 371.459 -0.657 50 0 FBAARO CS(=O)(=O)N1CCO[C@H](CNC(=O)Cc2ccc(OCC[NH3+])cc2)C1 ZINC000426487319 483914566 /nfs/dbraw/zinc/91/45/66/483914566.db2.gz ITVWYVFOPLCKAT-OAHLLOKOSA-N 1 0 371.459 -0.657 50 0 FBAARO CS(=O)(=O)NC1CCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426487752 483915236 /nfs/dbraw/zinc/91/52/36/483915236.db2.gz ZNMDIPAMFDWUCC-CYBMUJFWSA-N 1 0 369.491 -0.110 50 0 FBAARO CS(=O)(=O)NC1CCN(C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CC1 ZINC000426487761 483915267 /nfs/dbraw/zinc/91/52/67/483915267.db2.gz ZNMDIPAMFDWUCC-ZDUSSCGKSA-N 1 0 369.491 -0.110 50 0 FBAARO CNC(=O)CN1CCN(C(=O)c2cc(OC)ccc2OCCC[NH3+])CC1 ZINC000426503969 263611788 /nfs/dbraw/zinc/61/17/88/263611788.db2.gz HQQUCPUZRLNFHH-UHFFFAOYSA-N 1 0 364.446 -0.073 50 0 FBAARO Cc1cc(=O)[nH]c(NCCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000426523458 484365341 /nfs/dbraw/zinc/36/53/41/484365341.db2.gz LYUYVQNXFHBLNG-CYBMUJFWSA-N 1 0 359.434 0.382 50 0 FBAARO Cc1cc(=O)[nH]c(NCCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000426523461 484365379 /nfs/dbraw/zinc/36/53/79/484365379.db2.gz LYUYVQNXFHBLNG-ZDUSSCGKSA-N 1 0 359.434 0.382 50 0 FBAARO Cn1nnnc1SCCNC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426530589 485339167 /nfs/dbraw/zinc/33/91/67/485339167.db2.gz VLLUUPYKCBAHCU-LLVKDONJSA-N 1 0 350.452 -0.218 50 0 FBAARO Cn1nnnc1SCCNC(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426530590 263622058 /nfs/dbraw/zinc/62/20/58/263622058.db2.gz VLLUUPYKCBAHCU-NSHDSACASA-N 1 0 350.452 -0.218 50 0 FBAARO CS(=O)(=O)NC1CCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426534484 485338695 /nfs/dbraw/zinc/33/86/95/485338695.db2.gz QWLLQUHHXGVDBP-CYBMUJFWSA-N 1 0 369.491 -0.110 50 0 FBAARO CS(=O)(=O)NC1CCN(C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000426534485 485338644 /nfs/dbraw/zinc/33/86/44/485338644.db2.gz QWLLQUHHXGVDBP-ZDUSSCGKSA-N 1 0 369.491 -0.110 50 0 FBAARO CN(C)C(=O)CN1CCN(C(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000426551899 483971374 /nfs/dbraw/zinc/97/13/74/483971374.db2.gz ARMZILKDOWYWPD-HNNXBMFYSA-N 1 0 362.478 -0.418 50 0 FBAARO CN(C)C(=O)CN1CCN(C(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000426551904 483972292 /nfs/dbraw/zinc/97/22/92/483972292.db2.gz ARMZILKDOWYWPD-OAHLLOKOSA-N 1 0 362.478 -0.418 50 0 FBAARO CS(=O)(=O)N1CCCN(C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CC1 ZINC000426555902 263634289 /nfs/dbraw/zinc/63/42/89/263634289.db2.gz NBGOFAQEFGGMDD-AWEZNQCLSA-N 1 0 369.491 -0.156 50 0 FBAARO CS(=O)(=O)N1CCCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426555903 483971310 /nfs/dbraw/zinc/97/13/10/483971310.db2.gz NBGOFAQEFGGMDD-CQSZACIVSA-N 1 0 369.491 -0.156 50 0 FBAARO Cn1nnnc1SCCNC(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426556016 263634680 /nfs/dbraw/zinc/63/46/80/263634680.db2.gz PGGAFDPFCVBHPD-LLVKDONJSA-N 1 0 350.452 -0.218 50 0 FBAARO Cn1nnnc1SCCNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426556017 263634201 /nfs/dbraw/zinc/63/42/01/263634201.db2.gz PGGAFDPFCVBHPD-NSHDSACASA-N 1 0 350.452 -0.218 50 0 FBAARO CS(=O)(=O)CCN1CCN(C(=O)Cc2ccc(OCC[NH3+])cc2)CC1 ZINC000426589914 483979966 /nfs/dbraw/zinc/97/99/66/483979966.db2.gz DCWBSJONUXJLLO-UHFFFAOYSA-N 1 0 369.487 -0.245 50 0 FBAARO Cc1cc(=O)[nH]c(NCCNC(=O)NC(C)(C)C[NH+]2CCN(C)CC2)n1 ZINC000426612980 484365061 /nfs/dbraw/zinc/36/50/61/484365061.db2.gz TYIZQGLZNWBMMD-UHFFFAOYSA-N 1 0 365.482 0.228 50 0 FBAARO Cc1cc(N2CCN(C(=O)NCCSc3nc[nH]n3)CC2)nc(N)[nH+]1 ZINC000426620008 484544927 /nfs/dbraw/zinc/54/49/27/484544927.db2.gz IUVWDLZSGMXLNI-UHFFFAOYSA-N 1 0 363.451 0.109 50 0 FBAARO CN1CCN([C@H]2COC[C@@H]2NC(=O)Cc2ccc(OCC[NH3+])cc2)CC1 ZINC000426621655 263645714 /nfs/dbraw/zinc/64/57/14/263645714.db2.gz MCJMLHVBWQSIIG-ROUUACIJSA-N 1 0 362.474 -0.302 50 0 FBAARO [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)N2CCc4c(=O)[nH]cnc4C2)[C@@H]3C1=O ZINC000426632866 485339458 /nfs/dbraw/zinc/33/94/58/485339458.db2.gz KPZCSZXRJBGQRE-FLTUCWPJSA-N 1 0 373.413 -0.968 50 0 FBAARO COc1ccccc1OCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC000426634359 483943841 /nfs/dbraw/zinc/94/38/41/483943841.db2.gz WWUKWPQZNJENEL-ZIAGYGMSSA-N 1 0 365.430 -0.286 50 0 FBAARO COCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707606 485340192 /nfs/dbraw/zinc/34/01/92/485340192.db2.gz ZZPAGJGYPPLEHG-AWEZNQCLSA-N 1 0 364.450 -0.430 50 0 FBAARO COCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707609 485339865 /nfs/dbraw/zinc/33/98/65/485339865.db2.gz ZZPAGJGYPPLEHG-CQSZACIVSA-N 1 0 364.450 -0.430 50 0 FBAARO CC[NH+]1CCN(CC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000461875514 484560265 /nfs/dbraw/zinc/56/02/65/484560265.db2.gz BQEXRDAZXPNQDV-UHFFFAOYSA-N 1 0 361.494 -0.648 50 0 FBAARO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468142091 484672585 /nfs/dbraw/zinc/67/25/85/484672585.db2.gz OUJMCLMULVRKQD-HNNXBMFYSA-N 1 0 367.494 -0.935 50 0 FBAARO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468142092 484672722 /nfs/dbraw/zinc/67/27/22/484672722.db2.gz OUJMCLMULVRKQD-OAHLLOKOSA-N 1 0 367.494 -0.935 50 0 FBAARO C[NH2+]Cc1nnc(SCc2nc(C(N)=O)no2)n1C[C@H]1CCCO1 ZINC000534578317 483871332 /nfs/dbraw/zinc/87/13/32/483871332.db2.gz LEPWTALQRRIFEF-MRVPVSSYSA-N 1 0 353.408 -0.049 50 0 FBAARO C[NH2+]Cc1nnc(SCc2nc(C(N)=O)no2)n1C[C@@H]1CCCO1 ZINC000534578318 483871314 /nfs/dbraw/zinc/87/13/14/483871314.db2.gz LEPWTALQRRIFEF-QMMMGPOBSA-N 1 0 353.408 -0.049 50 0 FBAARO Cn1c(=O)[nH]c2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2c1=O ZINC000534593349 483871786 /nfs/dbraw/zinc/87/17/86/483871786.db2.gz ZKKDURCATHDQBC-TVQRCGJNSA-N 1 0 350.400 -0.379 50 0 FBAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCc2nc(N)n[nH]2)CC1 ZINC000534654296 484550249 /nfs/dbraw/zinc/55/02/49/484550249.db2.gz SVSXHAWUDJVGOA-UHFFFAOYSA-N 1 0 364.454 -0.555 50 0 FBAARO CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000534660500 483873006 /nfs/dbraw/zinc/87/30/06/483873006.db2.gz YDBGGMGNLFKIBD-WFASDCNBSA-N 1 0 355.416 -0.303 50 0 FBAARO CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC000534673701 483873520 /nfs/dbraw/zinc/87/35/20/483873520.db2.gz YENQHWFGFJQBSR-UHFFFAOYSA-N 1 0 362.477 -0.065 50 0 FBAARO CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccnc2)C[C@H]1[NH+](C)C ZINC000575540685 839223500 /nfs/dbraw/zinc/22/35/00/839223500.db2.gz IAIFJHCVXPDLAY-TZMCWYRMSA-N 1 0 355.464 -0.049 50 0 FBAARO COC1CC[NH+](C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000575610310 484236979 /nfs/dbraw/zinc/23/69/79/484236979.db2.gz IJXWHQZFCARYDD-UHFFFAOYSA-N 1 0 359.492 -0.020 50 0 FBAARO CS(=O)(=O)N1CCN(C(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000575615880 484415556 /nfs/dbraw/zinc/41/55/56/484415556.db2.gz ISSJXOIWSXKRSH-CYBMUJFWSA-N 1 0 374.463 -0.106 50 0 FBAARO CS(=O)(=O)N1CCN(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000575615887 484415461 /nfs/dbraw/zinc/41/54/61/484415461.db2.gz ISSJXOIWSXKRSH-ZDUSSCGKSA-N 1 0 374.463 -0.106 50 0 FBAARO Cn1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000578983584 484237138 /nfs/dbraw/zinc/23/71/38/484237138.db2.gz JNLJENGTMZMCER-QWHCGFSZSA-N 1 0 364.427 -0.882 50 0 FBAARO CC(C)c1nc(CCNC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)no1 ZINC000584885222 484492158 /nfs/dbraw/zinc/49/21/58/484492158.db2.gz MNBFLEXFWRZMIH-STQMWFEESA-N 1 0 353.423 -0.178 50 0 FBAARO CNC(=O)c1noc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000584896884 484493720 /nfs/dbraw/zinc/49/37/20/484493720.db2.gz SPKSIVCTIGBOFK-GFCCVEGCSA-N 1 0 366.422 -0.317 50 0 FBAARO CNC(=O)c1noc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000584896885 484493807 /nfs/dbraw/zinc/49/38/07/484493807.db2.gz SPKSIVCTIGBOFK-LBPRGKRZSA-N 1 0 366.422 -0.317 50 0 FBAARO Cn1c2ccc(S(=O)(=O)NCC3([NH3+])CCOCC3)cc2n(C)c1=O ZINC000624386807 483694701 /nfs/dbraw/zinc/69/47/01/483694701.db2.gz XYUZKLSXTNWWTA-UHFFFAOYSA-N 1 0 354.432 -0.337 50 0 FBAARO CCN1CCN(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)C(=O)C1=O ZINC000669570556 842749338 /nfs/dbraw/zinc/74/93/38/842749338.db2.gz HUOGAKWBZDYLFN-AWEZNQCLSA-N 1 0 352.435 -0.112 50 0 FBAARO CCN1CCN(C(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)C(=O)C1=O ZINC000669570557 836900967 /nfs/dbraw/zinc/90/09/67/836900967.db2.gz HUOGAKWBZDYLFN-CQSZACIVSA-N 1 0 352.435 -0.112 50 0 FBAARO NC(=O)c1csc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000670443349 484985986 /nfs/dbraw/zinc/98/59/86/484985986.db2.gz ARNSWBDZPNXFDC-JTQLQIEISA-N 1 0 374.488 -0.287 50 0 FBAARO NC(=O)c1csc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000670443350 484985656 /nfs/dbraw/zinc/98/56/56/484985656.db2.gz ARNSWBDZPNXFDC-SNVBAGLBSA-N 1 0 374.488 -0.287 50 0 FBAARO O=C(Cn1cnnn1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670462750 485008515 /nfs/dbraw/zinc/00/85/15/485008515.db2.gz FUQCPFOXKZRFBQ-GMXGEUMGSA-N 1 0 353.430 -0.643 50 0 FBAARO O=C(Cn1cnnn1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670462751 485008074 /nfs/dbraw/zinc/00/80/74/485008074.db2.gz FUQCPFOXKZRFBQ-ZCDVPAHGSA-N 1 0 353.430 -0.643 50 0 FBAARO CC(C)c1nc(CNC(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)no1 ZINC000670469354 485013659 /nfs/dbraw/zinc/01/36/59/485013659.db2.gz KLYFDGXXYMQDTE-AKENFEQQSA-N 1 0 363.418 -0.226 50 0 FBAARO CN(Cc1nncn1C)C(=O)NCC[C@H]1CCC(=O)N1CC[NH+](C)C ZINC000670471947 485045954 /nfs/dbraw/zinc/04/59/54/485045954.db2.gz QDANUTAFMUDLJW-CYBMUJFWSA-N 1 0 351.455 -0.101 50 0 FBAARO CN(Cc1nncn1C)C(=O)NCC[C@@H]1CCC(=O)N1CC[NH+](C)C ZINC000670471952 485046103 /nfs/dbraw/zinc/04/61/03/485046103.db2.gz QDANUTAFMUDLJW-ZDUSSCGKSA-N 1 0 351.455 -0.101 50 0 FBAARO CNC(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000675010243 836079597 /nfs/dbraw/zinc/07/95/97/836079597.db2.gz HJLWLBRHULEOTR-ZBFHGGJFSA-N 1 0 369.491 -0.299 50 0 FBAARO CCn1cc(C[N@@H+]2CC[C@H]3N(C)S(=O)(=O)CC[C@]3(C(=O)NC)C2)cn1 ZINC000675011249 836079806 /nfs/dbraw/zinc/07/98/06/836079806.db2.gz RGMLSLQENDQTOH-ZBFHGGJFSA-N 1 0 369.491 -0.125 50 0 FBAARO CN1CCN(c2ncc(C[NH2+][C@H]3COC[C@H]3Oc3cn[nH]c3)cn2)CC1 ZINC000685941033 571101091 /nfs/dbraw/zinc/10/10/91/571101091.db2.gz ONFDHJNVIYMJGC-JKSUJKDBSA-N 1 0 359.434 -0.113 50 0 FBAARO C[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCN1S(C)(=O)=O ZINC000685942823 571103309 /nfs/dbraw/zinc/10/33/09/571103309.db2.gz QWCPQPNYDSNNSG-NSHDSACASA-N 1 0 355.464 -0.017 50 0 FBAARO CC[N@@H+]1CCC[C@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000823109873 839143175 /nfs/dbraw/zinc/14/31/75/839143175.db2.gz GSVDTYUTQRXNCW-INIZCTEOSA-N 1 0 360.524 -0.087 50 0 FBAARO CC[N@@H+]1CCC[C@@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000823109878 839143237 /nfs/dbraw/zinc/14/32/37/839143237.db2.gz GSVDTYUTQRXNCW-MRXNPFEDSA-N 1 0 360.524 -0.087 50 0 FBAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)N1CCN(CCn2cncn2)CC1 ZINC000823350087 839143926 /nfs/dbraw/zinc/14/39/26/839143926.db2.gz UTMBJXFOAYIBDB-GJZGRUSLSA-N 1 0 351.455 -0.676 50 0 FBAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)CCO3)C1 ZINC000823770346 839145822 /nfs/dbraw/zinc/14/58/22/839145822.db2.gz ZXVBHZUCOGKBAW-AWEZNQCLSA-N 1 0 359.492 -0.019 50 0 FBAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)CCO3)C1 ZINC000823770347 839146615 /nfs/dbraw/zinc/14/66/15/839146615.db2.gz ZXVBHZUCOGKBAW-CQSZACIVSA-N 1 0 359.492 -0.019 50 0 FBAARO CC(=O)N1CCOC2(CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)C1 ZINC000823778339 839145793 /nfs/dbraw/zinc/14/57/93/839145793.db2.gz FBXGSKDHMAQYMF-UHFFFAOYSA-N 1 0 352.479 -0.136 50 0 FBAARO CN(C)S(=O)(=O)N1CCOC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000825641655 839183966 /nfs/dbraw/zinc/18/39/66/839183966.db2.gz CZKBUZFOGJEENP-UHFFFAOYSA-N 1 0 357.480 -0.107 50 0 FBAARO CN1CC(=O)N(CC(=O)NCC2CC[NH+](C[C@H](O)C3CC3)CC2)C1=O ZINC000827827484 839201092 /nfs/dbraw/zinc/20/10/92/839201092.db2.gz LWOJCMJHIYCLJO-AWEZNQCLSA-N 1 0 352.435 -0.521 50 0 FBAARO CN1CC(=O)N(CC(=O)NCC2CC[NH+](C[C@@H](O)C3CC3)CC2)C1=O ZINC000827827485 839201824 /nfs/dbraw/zinc/20/18/24/839201824.db2.gz LWOJCMJHIYCLJO-CQSZACIVSA-N 1 0 352.435 -0.521 50 0 FBAARO CN(C)S(=O)(=O)N1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000827921435 839201202 /nfs/dbraw/zinc/20/12/02/839201202.db2.gz XPAPIEMUCYBZBE-UHFFFAOYSA-N 1 0 374.507 -0.418 50 0 FBAARO COCC[NH2+]CCNC(=O)/C=C/c1ccc(OC)c(S(N)(=O)=O)c1 ZINC000888096582 658885091 /nfs/dbraw/zinc/88/50/91/658885091.db2.gz BLATZDKVUDNYHT-GQCTYLIASA-N 1 0 357.432 -0.292 50 0 FBAARO COCC[NH2+]CCNC(=O)/C=C\c1ccc(OC)c(S(N)(=O)=O)c1 ZINC000888096584 658885258 /nfs/dbraw/zinc/88/52/58/658885258.db2.gz BLATZDKVUDNYHT-XQRVVYSFSA-N 1 0 357.432 -0.292 50 0 FBAARO CN1CC(=O)N(CC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000952963235 661791606 /nfs/dbraw/zinc/79/16/06/661791606.db2.gz JGYLGZXTGOMCJI-AWEZNQCLSA-N 1 0 352.435 -0.016 50 0 FBAARO CN1CC(=O)N(CC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)C1=O ZINC000952963238 661791668 /nfs/dbraw/zinc/79/16/68/661791668.db2.gz JGYLGZXTGOMCJI-CQSZACIVSA-N 1 0 352.435 -0.016 50 0 FBAARO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)CC2 ZINC000952968249 661791572 /nfs/dbraw/zinc/79/15/72/661791572.db2.gz IYHXVWBMMSIERH-CPUCHLNUSA-N 1 0 353.463 -0.038 50 0 FBAARO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)CC2 ZINC000952968268 661791559 /nfs/dbraw/zinc/79/15/59/661791559.db2.gz IYHXVWBMMSIERH-VBQJREDUSA-N 1 0 353.463 -0.038 50 0 FBAARO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000952973081 660426396 /nfs/dbraw/zinc/42/63/96/660426396.db2.gz REYYCMSAJILACG-UHFFFAOYSA-N 1 0 358.464 -0.421 50 0 FBAARO COCC[NH+]1CCC(C(=O)N2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000952979152 661791710 /nfs/dbraw/zinc/79/17/10/661791710.db2.gz GCKVQSRDQCOKPA-UHFFFAOYSA-N 1 0 354.495 -0.033 50 0 FBAARO CN1CC2(CCN(C(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2)OCC1=O ZINC000952979711 661791733 /nfs/dbraw/zinc/79/17/33/661791733.db2.gz PGDDOPXIZITHPZ-CYBMUJFWSA-N 1 0 352.435 -0.967 50 0 FBAARO CN1CC2(CCN(C(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)CC2)OCC1=O ZINC000952979713 661791529 /nfs/dbraw/zinc/79/15/29/661791529.db2.gz PGDDOPXIZITHPZ-ZDUSSCGKSA-N 1 0 352.435 -0.967 50 0 FBAARO