smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCOC13CCCC3)cc2=O ZINC000934389682 782573506 /nfs/dbraw/zinc/57/35/06/782573506.db2.gz SZHCNOYOPCAJML-AWEZNQCLSA-N 1 0 360.414 1.803 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000683496555 772025910 /nfs/dbraw/zinc/02/59/10/772025910.db2.gz HBPNBILSSDNLSY-CVEARBPZSA-N 1 0 371.481 1.362 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891243513 774057951 /nfs/dbraw/zinc/05/79/51/774057951.db2.gz PCTQYOAZWNJNSD-RBUKOAKNSA-N 1 0 372.513 1.873 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccncc2)[NH+](C)C)cc1 ZINC000891247117 774092089 /nfs/dbraw/zinc/09/20/89/774092089.db2.gz FDVPABJGGKNMQQ-SFHVURJKSA-N 1 0 369.469 1.297 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2nccn3ccnc23)[NH+](C)C)cc1 ZINC000891247879 774099012 /nfs/dbraw/zinc/09/90/12/774099012.db2.gz LCFHFQIRUIIKRE-INIZCTEOSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000891254602 774147690 /nfs/dbraw/zinc/14/76/90/774147690.db2.gz ZMUTXXIEYASMSJ-KXBFYZLASA-N 1 0 355.486 2.000 20 10 FDCDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256832 774165815 /nfs/dbraw/zinc/16/58/15/774165815.db2.gz AAZXOZGZXDZKBD-INIZCTEOSA-N 1 0 374.445 1.585 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC000891258671 774189124 /nfs/dbraw/zinc/18/91/24/774189124.db2.gz YYIIQSQUXFGHRM-IBGZPJMESA-N 1 0 368.481 1.902 20 10 FDCDRO COC(=O)c1coc(=O)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167434901 774823001 /nfs/dbraw/zinc/82/30/01/774823001.db2.gz YSJMJUUHDBYLHN-UHFFFAOYSA-N 1 0 357.410 1.790 20 10 FDCDRO COCc1noc(CN2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000276198109 776633712 /nfs/dbraw/zinc/63/37/12/776633712.db2.gz JUTHCZMUBWQALM-UHFFFAOYSA-N 1 0 363.437 1.739 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000891397864 776820785 /nfs/dbraw/zinc/82/07/85/776820785.db2.gz WYJDCTSFRIVZMK-AEFFLSMTSA-N 1 0 373.501 1.282 20 10 FDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276232413 776903465 /nfs/dbraw/zinc/90/34/65/776903465.db2.gz KSBBRSKTWLWCKJ-FQEVSTJZSA-N 1 0 372.513 1.846 20 10 FDCDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000276606435 778376282 /nfs/dbraw/zinc/37/62/82/778376282.db2.gz HPSCDHWBGMLNMO-CYBMUJFWSA-N 1 0 358.398 1.623 20 10 FDCDRO CCN(C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1)S(C)(=O)=O ZINC000892012912 781208691 /nfs/dbraw/zinc/20/86/91/781208691.db2.gz ILDFFSXOOQRNBP-UHFFFAOYSA-N 1 0 372.487 1.655 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000066475499 786932983 /nfs/dbraw/zinc/93/29/83/786932983.db2.gz ZDBOIFGMAONQBX-ZIFCJYIRSA-N 1 0 363.502 1.287 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000376361752 787458169 /nfs/dbraw/zinc/45/81/69/787458169.db2.gz UNZHXDVLQXDSRU-PZJWPPBQSA-N 1 0 373.497 1.750 20 10 FDCDRO COc1cccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)c1O ZINC000378353249 793999625 /nfs/dbraw/zinc/99/96/25/793999625.db2.gz YRCPWLXTTZLMGK-UHFFFAOYSA-N 1 0 361.486 1.919 20 10 FDCDRO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001105084406 795189869 /nfs/dbraw/zinc/18/98/69/795189869.db2.gz RFRWRKNQRVQXQW-VNHYZAJKSA-N 1 0 361.446 1.918 20 10 FDCDRO Cn1ncc(C2CC2)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893606840 807031304 /nfs/dbraw/zinc/03/13/04/807031304.db2.gz ARKPXFDHULBZTE-UHFFFAOYSA-N 1 0 353.470 1.979 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279024582 808104649 /nfs/dbraw/zinc/10/46/49/808104649.db2.gz OZBIKPPEJHITFQ-HNNXBMFYSA-N 1 0 355.442 1.253 20 10 FDCDRO O=C(NCCCSc1nccs1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893646816 808586283 /nfs/dbraw/zinc/58/62/83/808586283.db2.gz WFPQPPCLJOTPKM-KBPBESRZSA-N 1 0 370.544 1.866 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000893717656 809396320 /nfs/dbraw/zinc/39/63/20/809396320.db2.gz WJFVHYPFJJFMER-APWZRJJASA-N 1 0 370.501 1.935 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238175167 809560777 /nfs/dbraw/zinc/56/07/77/809560777.db2.gz GSWPUBABAOFGBL-IBGZPJMESA-N 1 0 357.498 1.901 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCOC3)CC2)cc1 ZINC000178760944 810223296 /nfs/dbraw/zinc/22/32/96/810223296.db2.gz HENCNWNLJFDXOJ-MRXNPFEDSA-N 1 0 362.474 1.295 20 10 FDCDRO COc1cc(C)cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000894198944 810877052 /nfs/dbraw/zinc/87/70/52/810877052.db2.gz HRBJUABGHNNBJP-UHFFFAOYSA-N 1 0 364.467 1.918 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccn(C)n2)[NH+](C)C)cc1 ZINC000894206211 810988416 /nfs/dbraw/zinc/98/84/16/810988416.db2.gz KZOHZAJUFZAVPE-GOSISDBHSA-N 1 0 358.490 1.631 20 10 FDCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108778 811721506 /nfs/dbraw/zinc/72/15/06/811721506.db2.gz NNYUZCQPLFQLFC-AEFFLSMTSA-N 1 0 361.486 1.674 20 10 FDCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(C(F)(F)F)c1 ZINC000280289162 811765386 /nfs/dbraw/zinc/76/53/86/811765386.db2.gz NJZKQTXOYCHOAJ-UHFFFAOYSA-N 1 0 370.375 1.945 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NOC[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000894372515 817833093 /nfs/dbraw/zinc/83/30/93/817833093.db2.gz KIUWCJVVMXCBGG-WMLDXEAASA-N 1 0 350.463 1.623 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c2cc(F)ccc2n1C ZINC000894595810 818236587 /nfs/dbraw/zinc/23/65/87/818236587.db2.gz RFSPRIOHXSCTSU-ADLMAVQZSA-N 1 0 350.390 1.734 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)[NH+](C)C)cc1 ZINC000894957019 819392143 /nfs/dbraw/zinc/39/21/43/819392143.db2.gz YMDLKLDYJZNCDF-DNVCBOLYSA-N 1 0 370.501 1.935 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000895006895 819470931 /nfs/dbraw/zinc/47/09/31/819470931.db2.gz VZHZJEIDSHLXIR-OAGGEKHMSA-N 1 0 352.500 1.934 20 10 FDCDRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000520449814 819698368 /nfs/dbraw/zinc/69/83/68/819698368.db2.gz WKIQGMUURRRNCX-UHFFFAOYSA-N 1 0 374.485 1.140 20 10 FDCDRO COC(=O)c1c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895456853 822607613 /nfs/dbraw/zinc/60/76/13/822607613.db2.gz IFDAHJBAAQRMRV-OKILXGFUSA-N 1 0 373.384 1.151 20 10 FDCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccn1 ZINC000896568608 824609139 /nfs/dbraw/zinc/60/91/39/824609139.db2.gz AYEVHPOQJWWNNT-CRAIPNDOSA-N 1 0 355.486 1.853 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897061689 826848079 /nfs/dbraw/zinc/84/80/79/826848079.db2.gz NFAZAGRIUYDQFJ-JTQLQIEISA-N 1 0 363.277 1.574 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4n[nH]cc43)CC2)cc1 ZINC000301067268 827614029 /nfs/dbraw/zinc/61/40/29/827614029.db2.gz FMJMDIVMTSYGJV-UHFFFAOYSA-N 1 0 367.457 1.986 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC34CCOCC4)CC2)cc1 ZINC000371417516 829738634 /nfs/dbraw/zinc/73/86/34/829738634.db2.gz WDTNQGODYNNNFM-UHFFFAOYSA-N 1 0 373.497 1.989 20 10 FDCDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccn1 ZINC000262045536 837403642 /nfs/dbraw/zinc/40/36/42/837403642.db2.gz LYIUCXSVIIVJED-KRWDZBQOSA-N 1 0 353.470 1.609 20 10 FDCDRO COc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1I ZINC001204809427 829932299 /nfs/dbraw/zinc/93/22/99/829932299.db2.gz HAZXOYCZGJIOIQ-CYBMUJFWSA-N 1 0 362.211 1.929 20 10 FDCDRO O=C(NCCNc1cc[nH+]cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000729594201 830198574 /nfs/dbraw/zinc/19/85/74/830198574.db2.gz MIYURXNALJMSAA-UHFFFAOYSA-N 1 0 371.510 1.968 20 10 FDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H](C)C[NH2+]1 ZINC000841722364 835229030 /nfs/dbraw/zinc/22/90/30/835229030.db2.gz MXHWMGBVIZGFRO-HLLBOEOZSA-N 1 0 373.501 1.280 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1F ZINC000841983888 840404043 /nfs/dbraw/zinc/40/40/43/840404043.db2.gz FZJLRXZNDONSHO-KBPBESRZSA-N 1 0 350.438 1.806 20 10 FDCDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cc(O)c(O)cc2s1 ZINC000897876071 840529721 /nfs/dbraw/zinc/52/97/21/840529721.db2.gz KFFCVWBOQPUMIT-LBPRGKRZSA-N 1 0 350.440 1.889 20 10 FDCDRO CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000898125589 840798037 /nfs/dbraw/zinc/79/80/37/840798037.db2.gz ZEXYETSGQXCSPL-GOSISDBHSA-N 1 0 358.486 1.359 20 10 FDCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050323 840904216 /nfs/dbraw/zinc/90/42/16/840904216.db2.gz UUDZMIMVOXVGNM-OWCLPIDISA-N 1 0 360.502 1.410 20 10 FDCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050325 840904476 /nfs/dbraw/zinc/90/44/76/840904476.db2.gz UUDZMIMVOXVGNM-XHSDSOJGSA-N 1 0 360.502 1.410 20 10 FDCDRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1O ZINC000927027668 843340933 /nfs/dbraw/zinc/34/09/33/843340933.db2.gz UXJOPKGGLYHOCY-WPRPVWTQSA-N 1 0 352.250 1.211 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000842123041 844742937 /nfs/dbraw/zinc/74/29/37/844742937.db2.gz AJTVUSIHMLLTIU-MAUKXSAKSA-N 1 0 374.485 1.040 20 10 FDCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]21 ZINC000842171521 845277813 /nfs/dbraw/zinc/27/78/13/845277813.db2.gz UFHPQFFSRAZRFR-YTQUADARSA-N 1 0 368.481 1.265 20 10 FDCDRO COC[C@H]1C[C@@H](O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097721 845761385 /nfs/dbraw/zinc/76/13/85/845761385.db2.gz FXVFPWNIPQUBOS-KZNAEPCWSA-N 1 0 364.490 1.147 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000842228695 845764465 /nfs/dbraw/zinc/76/44/65/845764465.db2.gz JPXTVDVLWBYBMK-INIZCTEOSA-N 1 0 358.486 1.502 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000842233324 845774385 /nfs/dbraw/zinc/77/43/85/845774385.db2.gz QLYWSKBXFDWHTO-IBGZPJMESA-N 1 0 368.481 1.917 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cncnc2N)[NH+](C)C)cc1 ZINC000899104714 845778451 /nfs/dbraw/zinc/77/84/51/845778451.db2.gz SKRNZDPUVJGBIC-INIZCTEOSA-N 1 0 357.462 1.227 20 10 FDCDRO CC(C)[C@H](CO)ONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099086 845793768 /nfs/dbraw/zinc/79/37/68/845793768.db2.gz VELQUTSMZMHLSC-SJORKVTESA-N 1 0 352.479 1.603 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=S)NC2CCOCC2)[NH+](C)C)cc1 ZINC000899724081 846625878 /nfs/dbraw/zinc/62/58/78/846625878.db2.gz JOCBPHKPJDYGOV-QGZVFWFLSA-N 1 0 350.532 1.998 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=S)NC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000899724098 846625917 /nfs/dbraw/zinc/62/59/17/846625917.db2.gz JYMFCTVZNCVROQ-IAGOWNOFSA-N 1 0 350.532 1.998 20 10 FDCDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000156492848 862507423 /nfs/dbraw/zinc/50/74/23/862507423.db2.gz SUTZTDVEIHZXHF-GOSISDBHSA-N 1 0 360.502 1.511 20 10 FDCDRO C[C@@H]1COCC[C@@H]1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459366 855443597 /nfs/dbraw/zinc/44/35/97/855443597.db2.gz GUMCULCOYPUVMK-OLMNPRSZSA-N 1 0 369.531 1.700 20 10 FDCDRO C[C@@H]1COCC[C@@H]1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459361 855443692 /nfs/dbraw/zinc/44/36/92/855443692.db2.gz GUMCULCOYPUVMK-JLSDUUJJSA-N 1 0 369.531 1.700 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911125987 858181322 /nfs/dbraw/zinc/18/13/22/858181322.db2.gz SCVHZWGMGWPXNC-RTBURBONSA-N 1 0 366.465 1.418 20 10 FDCDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159537 858242421 /nfs/dbraw/zinc/24/24/21/858242421.db2.gz RANWYLVUCPULOJ-UZLBHIALSA-N 1 0 354.454 1.019 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C[NH3+] ZINC000911160018 858242969 /nfs/dbraw/zinc/24/29/69/858242969.db2.gz WCQLNAMQIMQTDM-NVXWUHKLSA-N 1 0 356.470 1.122 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@]3(O)CCC[N@H+](C)C3)C2)cc1 ZINC000911277931 858398598 /nfs/dbraw/zinc/39/85/98/858398598.db2.gz YCWNUXLCIAWEJO-UZLBHIALSA-N 1 0 361.486 1.485 20 10 FDCDRO CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911262628 858414412 /nfs/dbraw/zinc/41/44/12/858414412.db2.gz RGFMGKHPPROWFV-INIZCTEOSA-N 1 0 371.437 1.832 20 10 FDCDRO Cc1nn(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ncccc12 ZINC000911665175 858877434 /nfs/dbraw/zinc/87/74/34/858877434.db2.gz AXQIKKSPLUHFIV-KRWDZBQOSA-N 1 0 352.442 1.622 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC000911666748 858879145 /nfs/dbraw/zinc/87/91/45/858879145.db2.gz LPAHDPKRIBLHEV-QGZVFWFLSA-N 1 0 368.437 1.305 20 10 FDCDRO Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911667922 858880760 /nfs/dbraw/zinc/88/07/60/858880760.db2.gz UGRIMLHCAJRILL-WMZOPIPTSA-N 1 0 370.457 1.104 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)C[C@H]2CO)c1 ZINC000912751275 860155013 /nfs/dbraw/zinc/15/50/13/860155013.db2.gz BSYVLAGMRDJRCZ-IBGZPJMESA-N 1 0 355.438 1.655 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912876719 860952940 /nfs/dbraw/zinc/95/29/40/860952940.db2.gz MNYCLTBIKNTBFZ-UHFFFAOYSA-N 1 0 353.444 1.074 20 10 FDCDRO Oc1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633026 881857175 /nfs/dbraw/zinc/85/71/75/881857175.db2.gz FLTOWHKDHJEOCZ-GBESFXJTSA-N 1 0 365.470 1.930 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cc[nH]n3)CC2)cc1 ZINC000174454680 866530657 /nfs/dbraw/zinc/53/06/57/866530657.db2.gz VKHZQNYWMBDIFE-UHFFFAOYSA-N 1 0 357.458 1.289 20 10 FDCDRO Cc1cc(C(=O)NCC[N@@H+](C)CCOCCO)c(C)n1-c1ccccn1 ZINC000922124400 872249227 /nfs/dbraw/zinc/24/92/27/872249227.db2.gz YKJSEANECYCITM-UHFFFAOYSA-N 1 0 360.458 1.160 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000785421812 873524090 /nfs/dbraw/zinc/52/40/90/873524090.db2.gz FRZMDOXMLNRVOG-UHFFFAOYSA-N 1 0 358.486 1.456 20 10 FDCDRO C[NH+](C)CCOCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761645955 873710008 /nfs/dbraw/zinc/71/00/08/873710008.db2.gz CRWXVOUQYDTOHI-UHFFFAOYSA-N 1 0 355.822 1.388 20 10 FDCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000922471971 878293466 /nfs/dbraw/zinc/29/34/66/878293466.db2.gz DHIBDAUZXQKUFK-UHFFFAOYSA-N 1 0 370.471 1.851 20 10 FDCDRO COc1cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000922618082 878825129 /nfs/dbraw/zinc/82/51/29/878825129.db2.gz ZMVKPWRHXNEAON-GOSISDBHSA-N 1 0 371.499 1.992 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843298227 883242674 /nfs/dbraw/zinc/24/26/74/883242674.db2.gz NIERNGTVWPGWIE-WMTBXTEMSA-N 1 0 367.453 1.337 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4nn[nH]c43)cc2)CC1 ZINC000918847051 884967466 /nfs/dbraw/zinc/96/74/66/884967466.db2.gz XBWHANKDGXIXHR-MRXNPFEDSA-N 1 0 354.458 1.293 20 10 FDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2OCCO[C@H]2C)cc1C ZINC001034960079 885377590 /nfs/dbraw/zinc/37/75/90/885377590.db2.gz UCWIXWNAJSPNKV-WDYCEAGBSA-N 1 0 362.470 1.888 20 10 FDCDRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+]1CCCCC1 ZINC000920458273 886950959 /nfs/dbraw/zinc/95/09/59/886950959.db2.gz FWNBOYSSHGJYJF-LBPRGKRZSA-N 1 0 355.460 1.368 20 10 FDCDRO COc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccnn2C)c1O ZINC000922972043 887635198 /nfs/dbraw/zinc/63/51/98/887635198.db2.gz DLHMNQOWBXVAED-LBPRGKRZSA-N 1 0 356.220 1.720 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000921737330 897418121 /nfs/dbraw/zinc/41/81/21/897418121.db2.gz DYWYWGMCLBQIIT-UHFFFAOYSA-N 1 0 366.462 1.377 20 10 FDCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785424560 902710656 /nfs/dbraw/zinc/71/06/56/902710656.db2.gz PVNJRUVWVIYAMI-QGZVFWFLSA-N 1 0 360.502 1.750 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c3C)C[C@H]2C)cc1C ZINC001082578988 908766919 /nfs/dbraw/zinc/76/69/19/908766919.db2.gz BZQSHHVRHGQVBK-IUODEOHRSA-N 1 0 358.442 1.991 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cc[nH]n3)cc2F)CC1 ZINC000730119380 916171312 /nfs/dbraw/zinc/17/13/12/916171312.db2.gz SWBZQAURIGMROW-UHFFFAOYSA-N 1 0 360.437 1.690 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000732064375 918977806 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O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788583422 932747275 /nfs/dbraw/zinc/74/72/75/932747275.db2.gz KEZPFKQNVZWBHA-IEBWSBKVSA-N 1 0 368.481 1.422 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000788929114 932865321 /nfs/dbraw/zinc/86/53/21/932865321.db2.gz HDAHZPBZKRLNDV-DOTOQJQBSA-N 1 0 358.486 1.502 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000788954994 932887533 /nfs/dbraw/zinc/88/75/33/932887533.db2.gz OQENHPMWLODKOG-WBVHZDCISA-N 1 0 360.502 1.748 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804738053 938561030 /nfs/dbraw/zinc/56/10/30/938561030.db2.gz AHYSOSMQNSCTCW-UHFFFAOYSA-N 1 0 370.291 1.799 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](CF)C3=O)cc2F)CC1 ZINC000806672052 939997374 /nfs/dbraw/zinc/99/73/74/939997374.db2.gz MKSFMQUZXBGYRS-CQSZACIVSA-N 1 0 352.385 1.358 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000807098547 940248659 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YPIPLZWBDDSYAR-INIZCTEOSA-N 1 0 369.506 1.962 20 10 FDCDRO CCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c(O)c1 ZINC000811516666 941137778 /nfs/dbraw/zinc/13/77/78/941137778.db2.gz RWSMCQKVIBWONU-UHFFFAOYSA-N 1 0 357.476 1.105 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)CC13CCC3)cc2=O ZINC000817290274 942661447 /nfs/dbraw/zinc/66/14/47/942661447.db2.gz IIFFGUYPCQXHGU-CYBMUJFWSA-N 1 0 360.414 1.491 20 10 FDCDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817705864 942900694 /nfs/dbraw/zinc/90/06/94/942900694.db2.gz MJOZRYBFHJAWOZ-GOSISDBHSA-N 1 0 372.513 1.751 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000817860342 943049193 /nfs/dbraw/zinc/04/91/93/943049193.db2.gz ISTNFXDCTHCZID-QFBILLFUSA-N 1 0 374.529 1.661 20 10 FDCDRO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)cc2F)CC1 ZINC000817895368 943068802 /nfs/dbraw/zinc/06/88/02/943068802.db2.gz UGXVXPIPVSVGIA-VQTJNVASSA-N 1 0 363.477 1.643 20 10 FDCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817915460 943075303 /nfs/dbraw/zinc/07/53/03/943075303.db2.gz LFXRPXBCCBZDAR-HNNXBMFYSA-N 1 0 357.410 1.334 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000817917719 943076507 /nfs/dbraw/zinc/07/65/07/943076507.db2.gz DKHRGJCZYZMGST-AEFFLSMTSA-N 1 0 358.486 1.312 20 10 FDCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817920937 943078435 /nfs/dbraw/zinc/07/84/35/943078435.db2.gz YRXQKACEJKJDEV-KRWDZBQOSA-N 1 0 358.486 1.456 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@H]1[NH3+] ZINC000817926468 943082671 /nfs/dbraw/zinc/08/26/71/943082671.db2.gz JIMLYBPSXRWCFT-RDTXWAMCSA-N 1 0 358.486 1.439 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000817975858 943112594 /nfs/dbraw/zinc/11/25/94/943112594.db2.gz YSEXXPPRAOSLSE-QGZVFWFLSA-N 1 0 361.486 1.977 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000817989872 943123215 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COc1ccc(N2CC[NH+](CCCNC(=O)c3cncn3C)CC2)cc1 ZINC000277585147 782747664 /nfs/dbraw/zinc/74/76/64/782747664.db2.gz ZBMXCJHFZOBIRU-UHFFFAOYSA-N 1 0 357.458 1.371 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(N)=O)n2)[NH+](C)C)cc1 ZINC000891246389 774087423 /nfs/dbraw/zinc/08/74/23/774087423.db2.gz BYBXJEGWDFFQTH-KRWDZBQOSA-N 1 0 355.442 1.279 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccoc2CC(N)=O)[NH+](C)C)cc1 ZINC000891248445 774097534 /nfs/dbraw/zinc/09/75/34/774097534.db2.gz MPMNQTDVEMYCBI-MRXNPFEDSA-N 1 0 358.442 1.406 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000891248174 774101601 /nfs/dbraw/zinc/10/16/01/774101601.db2.gz WNIOHLFRAMKKHW-ICSRJNTNSA-N 1 0 362.518 1.318 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[NH+](C)C)cc1 ZINC000891249430 774107516 /nfs/dbraw/zinc/10/75/16/774107516.db2.gz QVSBGGNUAHHDDZ-SJLPKXTDSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(N)=O)s2)[NH+](C)C)cc1 ZINC000891255207 774154804 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CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@@H]3CCOC3)CC1)cc2=O ZINC000378645635 794467902 /nfs/dbraw/zinc/46/79/02/794467902.db2.gz FGWGTGWXZLBSHI-CQSZACIVSA-N 1 0 374.441 1.860 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](OC)C3)CC2)cc1 ZINC000189352332 795390254 /nfs/dbraw/zinc/39/02/54/795390254.db2.gz MFRLTBIBYJJGRG-APWZRJJASA-N 1 0 361.486 1.701 20 10 FDCDRO CC[N@H+](CCO)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000123077924 795464588 /nfs/dbraw/zinc/46/45/88/795464588.db2.gz QVVCUTXZVFYFSY-HUUCEWRRSA-N 1 0 367.465 1.370 20 10 FDCDRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066862649 801012684 /nfs/dbraw/zinc/01/26/84/801012684.db2.gz KPAQVGWSQCDFCT-QGZVFWFLSA-N 1 0 361.486 1.986 20 10 FDCDRO COC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC000894102669 810002119 /nfs/dbraw/zinc/00/21/19/810002119.db2.gz PJNPHHIQDWEUFL-IRXDYDNUSA-N 1 0 352.479 1.316 20 10 FDCDRO C[C@H](C[S@](C)=O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894152826 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COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000895006896 819471030 /nfs/dbraw/zinc/47/10/30/819471030.db2.gz VZHZJEIDSHLXIR-XHSDSOJGSA-N 1 0 352.500 1.934 20 10 FDCDRO COC(=O)c1c(C[NH2+][C@@H]2CCc3nnnn3CC2)c2cc(F)ccc2n1C ZINC000895037660 819487918 /nfs/dbraw/zinc/48/79/18/819487918.db2.gz BLCPRFWVPRDXKD-GFCCVEGCSA-N 1 0 372.404 1.585 20 10 FDCDRO CCN(OC)C(=O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895086185 820138015 /nfs/dbraw/zinc/13/80/15/820138015.db2.gz QBJAMVHLLXRXHK-UHFFFAOYSA-N 1 0 351.378 1.604 20 10 FDCDRO Oc1cc(O)c(CCNc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)cc1O ZINC001168014184 821252347 /nfs/dbraw/zinc/25/23/47/821252347.db2.gz PHMDPTIKNJRKBJ-QGZVFWFLSA-N 1 0 370.409 1.767 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)cc1 ZINC000895445584 822602919 /nfs/dbraw/zinc/60/29/19/822602919.db2.gz VCXWUZCXSOMLET-UHFFFAOYSA-N 1 0 359.470 1.455 20 10 FDCDRO COc1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(O)c1OC ZINC000895499699 822630087 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COc1ccc(N2CC[NH+](C[C@@H](O)CNc3nc[nH]c(=O)c3C)CC2)cc1 ZINC000840766091 826591098 /nfs/dbraw/zinc/59/10/98/826591098.db2.gz GAOWTZQYRLWXQR-INIZCTEOSA-N 1 0 373.457 1.094 20 10 FDCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000697289299 832024997 /nfs/dbraw/zinc/02/49/97/832024997.db2.gz HHMXUJHQXQORGK-CMPLNLGQSA-N 1 0 350.234 1.056 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CC=CCC3)cc2)CC1 ZINC000897526804 836582629 /nfs/dbraw/zinc/58/26/29/836582629.db2.gz KAQSOJTVWCXZQX-QGZVFWFLSA-N 1 0 370.497 1.527 20 10 FDCDRO COC[C@]1(CNC(=O)NCc2cccc(Br)c2O)CCC[NH2+]1 ZINC000841995185 840555353 /nfs/dbraw/zinc/55/53/53/840555353.db2.gz RAAWBBUGNXDXAH-OAHLLOKOSA-N 1 0 372.263 1.723 20 10 FDCDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)nc[nH]1 ZINC000898159106 840840082 /nfs/dbraw/zinc/84/00/82/840840082.db2.gz NUXUUGLSYONCMM-MRXNPFEDSA-N 1 0 355.442 1.387 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000898359659 840966580 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FDCDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170860 845208409 /nfs/dbraw/zinc/20/84/09/845208409.db2.gz MCZIWQIKTDEJFX-MRXNPFEDSA-N 1 0 356.470 1.185 20 10 FDCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]21 ZINC000842171518 845278174 /nfs/dbraw/zinc/27/81/74/845278174.db2.gz UFHPQFFSRAZRFR-BHIYHBOVSA-N 1 0 368.481 1.265 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000842172036 845285256 /nfs/dbraw/zinc/28/52/56/845285256.db2.gz ZHWPVQBCMYKFIM-SJORKVTESA-N 1 0 354.454 1.032 20 10 FDCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842184947 845423602 /nfs/dbraw/zinc/42/36/02/845423602.db2.gz XUUXHYHKSODSTP-IRXDYDNUSA-N 1 0 374.529 1.802 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000842186844 845436206 /nfs/dbraw/zinc/43/62/06/845436206.db2.gz LHHRDAGBKMXKNH-INIZCTEOSA-N 1 0 374.485 1.039 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000842229292 845770094 /nfs/dbraw/zinc/77/00/94/845770094.db2.gz PGMCXNSWCYKFOC-DLBZAZTESA-N 1 0 360.502 1.876 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000904974395 851533519 /nfs/dbraw/zinc/53/35/19/851533519.db2.gz SXWZDFQKKUCLCK-JXFKEZNVSA-N 1 0 358.486 1.441 20 10 FDCDRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000905051965 851613236 /nfs/dbraw/zinc/61/32/36/851613236.db2.gz KMWDNTIKIQFGTK-MRXNPFEDSA-N 1 0 352.450 1.808 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905073325 851654982 /nfs/dbraw/zinc/65/49/82/851654982.db2.gz VRTJTCSZULTFCD-LJQANCHMSA-N 1 0 363.502 1.073 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000905667507 852134148 /nfs/dbraw/zinc/13/41/48/852134148.db2.gz QBAUIEUARNSDKL-RCVZYCBYSA-N 1 0 359.514 1.956 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)N(C)C)cc1 ZINC000905706297 852193447 /nfs/dbraw/zinc/19/34/47/852193447.db2.gz 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FDCDRO CCOC(=O)Cn1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000819146037 943438958 /nfs/dbraw/zinc/43/89/58/943438958.db2.gz KEORPYHOVUNVGN-UHFFFAOYSA-N 1 0 358.446 1.205 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNCc3ncoc3C)CC2)cc1 ZINC000819192900 943469596 /nfs/dbraw/zinc/46/95/96/943469596.db2.gz AFWLXZYXRGJXSI-KRWDZBQOSA-N 1 0 360.458 1.264 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000819203439 943474216 /nfs/dbraw/zinc/47/42/16/943474216.db2.gz YBSSJAULWYLKJJ-ZHALLVOQSA-N 1 0 363.502 1.335 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNOCCSC)CC2)cc1 ZINC000819278295 943524282 /nfs/dbraw/zinc/52/42/82/943524282.db2.gz NMMKVAWLXFIVPJ-MRXNPFEDSA-N 1 0 355.504 1.062 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000819314346 943545736 /nfs/dbraw/zinc/54/57/36/943545736.db2.gz YKIXRXSIQLFRLH-FUHWJXTLSA-N 1 0 369.456 1.956 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000821720594 944643370 /nfs/dbraw/zinc/64/33/70/944643370.db2.gz ORHDASNTQFUHCA-GFCCVEGCSA-N 1 0 354.834 1.889 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000821720598 944643803 /nfs/dbraw/zinc/64/38/03/944643803.db2.gz ORHDASNTQFUHCA-LBPRGKRZSA-N 1 0 354.834 1.889 20 10 FDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1C ZINC000822470378 945014956 /nfs/dbraw/zinc/01/49/56/945014956.db2.gz NZGCQSFJPQOSSC-INIZCTEOSA-N 1 0 370.501 1.478 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCc4n[nH]cc43)CC2)cc1 ZINC000823140953 945477488 /nfs/dbraw/zinc/47/74/88/945477488.db2.gz PDTHVCHBPUQCFH-QGZVFWFLSA-N 1 0 371.485 1.354 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000823530559 945803567 /nfs/dbraw/zinc/80/35/67/945803567.db2.gz IHBGFLUYBYUXOU-UHFFFAOYSA-N 1 0 358.486 1.637 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000823655247 945891419 /nfs/dbraw/zinc/89/14/19/945891419.db2.gz LDFDDUSWHSZNOR-UHFFFAOYSA-N 1 0 373.501 1.201 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825267055 947099631 /nfs/dbraw/zinc/09/96/31/947099631.db2.gz PSZALTOTLBGXMW-WMZOPIPTSA-N 1 0 350.484 1.579 20 10 FDCDRO Nc1nn2c(nc(C[N@H+](Cc3ccccc3O)C3CCCC3)cc2=O)[nH]1 ZINC000856725565 971350958 /nfs/dbraw/zinc/35/09/58/971350958.db2.gz MXGWNFUTQQFMJH-UHFFFAOYSA-N 1 0 354.414 1.650 20 10 FDCDRO COc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000825509159 947288658 /nfs/dbraw/zinc/28/86/58/947288658.db2.gz GJUHREGBPHYFKB-CQSZACIVSA-N 1 0 356.488 1.951 20 10 FDCDRO CC1(OCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[NH2+]C1 ZINC000844177548 947819362 /nfs/dbraw/zinc/81/93/62/947819362.db2.gz DDBRPBFPALOMGT-UHFFFAOYSA-N 1 0 369.412 1.752 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000844162505 947842346 /nfs/dbraw/zinc/84/23/46/947842346.db2.gz GEXNUNYBULWWPN-CQSZACIVSA-N 1 0 371.470 1.353 20 10 FDCDRO Cn1[nH]c(C(C)(C)C)cc1=NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000844218967 947845933 /nfs/dbraw/zinc/84/59/33/947845933.db2.gz GPPFAPMGFYWTHF-UHFFFAOYSA-N 1 0 355.486 1.990 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218924 947846282 /nfs/dbraw/zinc/84/62/82/947846282.db2.gz FKFAPLJWGXMSFD-IAGOWNOFSA-N 1 0 360.502 1.403 20 10 FDCDRO O=C(NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1)C1CCOCC1 ZINC001144509368 949786124 /nfs/dbraw/zinc/78/61/24/949786124.db2.gz UWTQJHONUSUCQT-UHFFFAOYSA-N 1 0 350.415 1.311 20 10 FDCDRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000846332061 950939532 /nfs/dbraw/zinc/93/95/32/950939532.db2.gz RFPIRWAPXNZLQG-UHFFFAOYSA-N 1 0 372.444 1.544 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001144843658 951244864 /nfs/dbraw/zinc/24/48/64/951244864.db2.gz FIWJDMJWSBXBJA-UHFFFAOYSA-N 1 0 361.492 1.515 20 10 FDCDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000846613080 951375833 /nfs/dbraw/zinc/37/58/33/951375833.db2.gz APFNTSJRKHKZFA-UHFFFAOYSA-N 1 0 355.460 1.322 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(N(C)C)cc1 ZINC000772950622 951467205 /nfs/dbraw/zinc/46/72/05/951467205.db2.gz OAAGFJXWGMLYAA-MRXNPFEDSA-N 1 0 368.485 1.542 20 10 FDCDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000846725802 951494158 /nfs/dbraw/zinc/49/41/58/951494158.db2.gz VWLXMFRKFLFKKY-UHFFFAOYSA-N 1 0 374.529 1.997 20 10 FDCDRO CNC(=O)CCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000846855224 951653192 /nfs/dbraw/zinc/65/31/92/951653192.db2.gz BDOXYWHQIWECGD-UHFFFAOYSA-N 1 0 351.447 1.361 20 10 FDCDRO CC(C)N(CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775726839 971789085 /nfs/dbraw/zinc/78/90/85/971789085.db2.gz YLDXIPMKXUZCCD-UHFFFAOYSA-N 1 0 353.532 1.693 20 10 FDCDRO O=C(c1cccc(O)c1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001148213492 952648209 /nfs/dbraw/zinc/64/82/09/952648209.db2.gz CXBJWVMWUMTOJW-OHNRDTAOSA-N 1 0 369.421 1.907 20 10 FDCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001148583032 952757562 /nfs/dbraw/zinc/75/75/62/952757562.db2.gz PWJBNSGJQMXXON-UHFFFAOYSA-N 1 0 372.425 1.294 20 10 FDCDRO CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1c1cnn(C)c1 ZINC001087011079 953102665 /nfs/dbraw/zinc/10/26/65/953102665.db2.gz DQMSQFDAPYFWJE-JKSUJKDBSA-N 1 0 369.429 1.800 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(OC)c1 ZINC001172187520 961508119 /nfs/dbraw/zinc/50/81/19/961508119.db2.gz YQPYNLUAWBILPC-CVEARBPZSA-N 1 0 359.470 1.979 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)c(OC)c1 ZINC001172187521 961509121 /nfs/dbraw/zinc/50/91/21/961509121.db2.gz YQPYNLUAWBILPC-HOTGVXAUSA-N 1 0 359.470 1.979 20 10 FDCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1ccccn1 ZINC000773528767 963302242 /nfs/dbraw/zinc/30/22/42/963302242.db2.gz GVHOFMMIVAEVNN-QGZVFWFLSA-N 1 0 353.470 1.609 20 10 FDCDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001178482981 964257425 /nfs/dbraw/zinc/25/74/25/964257425.db2.gz OJGVFECPDKTNBV-HXUWFJFHSA-N 1 0 353.466 1.970 20 10 FDCDRO O=C(C[N@H+]1CC[C@H](O)C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001186046270 964277917 /nfs/dbraw/zinc/27/79/17/964277917.db2.gz AKFXANOEZUFVLD-AWEZNQCLSA-N 1 0 373.375 1.300 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253945 966986298 /nfs/dbraw/zinc/98/62/98/966986298.db2.gz CSUCXJPYJUORNC-MRXNPFEDSA-N 1 0 371.485 1.566 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000775261479 967008233 /nfs/dbraw/zinc/00/82/33/967008233.db2.gz VJQVHIUPMWTCFZ-MRXNPFEDSA-N 1 0 354.454 1.885 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000852588662 967449255 /nfs/dbraw/zinc/44/92/55/967449255.db2.gz IZEOJQZETHTRES-SJORKVTESA-N 1 0 361.486 1.843 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852710583 967549028 /nfs/dbraw/zinc/54/90/28/967549028.db2.gz SFMOGMAEOQZHSC-HXUWFJFHSA-N 1 0 374.529 1.242 20 10 FDCDRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc2c1C[NH2+]C2 ZINC000852794057 967612201 /nfs/dbraw/zinc/61/22/01/967612201.db2.gz KRWYNUOQLATYTG-UHFFFAOYSA-N 1 0 371.462 1.777 20 10 FDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cs2)cc1 ZINC000852914067 967702889 /nfs/dbraw/zinc/70/28/89/967702889.db2.gz LZXJXTUTUFLZLM-INIZCTEOSA-N 1 0 371.510 1.436 20 10 FDCDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775374468 967754348 /nfs/dbraw/zinc/75/43/48/967754348.db2.gz CAQDTADCWQSWAJ-CJNGLKHVSA-N 1 0 364.442 1.996 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](O)c3ccccn3)CC2)cc1 ZINC000853097479 967829691 /nfs/dbraw/zinc/82/96/91/967829691.db2.gz DSXNTZNEGDCKHC-FQEVSTJZSA-N 1 0 356.470 1.535 20 10 FDCDRO C[C@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](C)C ZINC000853453485 968022167 /nfs/dbraw/zinc/02/21/67/968022167.db2.gz TUPBXAICGXMAQN-CQSZACIVSA-N 1 0 366.481 1.926 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000854017224 968532662 /nfs/dbraw/zinc/53/26/62/968532662.db2.gz YTIRUVBCEPNZAS-OAHLLOKOSA-N 1 0 350.463 1.151 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)cc1 ZINC000854299957 968747396 /nfs/dbraw/zinc/74/73/96/968747396.db2.gz MWYUOYDPVKOOET-HNNXBMFYSA-N 1 0 362.474 1.030 20 10 FDCDRO COc1c[nH+]ccc1N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794704319 973669858 /nfs/dbraw/zinc/66/98/58/973669858.db2.gz GDNSIECZZDMPIV-QGZVFWFLSA-N 1 0 357.410 1.544 20 10 FDCDRO C[NH+]1CCC(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000105160715 974439247 /nfs/dbraw/zinc/43/92/47/974439247.db2.gz VLBQCIUBMIMHNT-UHFFFAOYSA-N 1 0 364.465 1.803 20 10 FDCDRO CCN(CC)c1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000866745619 975987325 /nfs/dbraw/zinc/98/73/25/975987325.db2.gz IAMADKOJHZTHIH-UHFFFAOYSA-N 1 0 354.520 1.551 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)OC)cc2F)CC1 ZINC000107479275 976527373 /nfs/dbraw/zinc/52/73/73/976527373.db2.gz OANDUHQRBKFFCR-UHFFFAOYSA-N 1 0 366.437 1.330 20 10 FDCDRO Cc1cnc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nc1 ZINC000848492818 976838051 /nfs/dbraw/zinc/83/80/51/976838051.db2.gz CDMLPQHRSRCMEH-KRWDZBQOSA-N 1 0 357.410 1.960 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000868049695 977236093 /nfs/dbraw/zinc/23/60/93/977236093.db2.gz RMJNOXGWNQPVCO-XHPSBEMXSA-N 1 0 350.422 1.619 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848940459 977268500 /nfs/dbraw/zinc/26/85/00/977268500.db2.gz YAICZTXCKYWXRF-RBUKOAKNSA-N 1 0 372.513 1.844 20 10 FDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000868130169 977308926 /nfs/dbraw/zinc/30/89/26/977308926.db2.gz LLJZYZBDNHFTIV-HKUYNNGSSA-N 1 0 358.486 1.759 20 10 FDCDRO C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000868229028 977365360 /nfs/dbraw/zinc/36/53/60/977365360.db2.gz KUMCVBYRLXBALO-CQSZACIVSA-N 1 0 362.474 1.695 20 10 FDCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000868371161 977550915 /nfs/dbraw/zinc/55/09/15/977550915.db2.gz QZKDODGTEMEIAO-GOEBONIOSA-N 1 0 362.474 1.695 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849572198 977772652 /nfs/dbraw/zinc/77/26/52/977772652.db2.gz LKXFQSKNAMLLRL-XYPHTWIQSA-N 1 0 372.469 1.614 20 10 FDCDRO COc1cc(C[NH2+]CCOCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850160256 978214386 /nfs/dbraw/zinc/21/43/86/978214386.db2.gz RXJIHLQYGWGANQ-UHFFFAOYSA-N 1 0 359.488 1.849 20 10 FDCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)COCCN1Cc1ccccc1 ZINC000850395302 978356075 /nfs/dbraw/zinc/35/60/75/978356075.db2.gz FKVFVFJDJWSKLE-JOCHJYFZSA-N 1 0 368.477 1.975 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3([NH3+])CCCC3)cc2)C1 ZINC000851655797 978986331 /nfs/dbraw/zinc/98/63/31/978986331.db2.gz XRIVRDSKSQJKFH-MRXNPFEDSA-N 1 0 373.501 1.459 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851666985 978990463 /nfs/dbraw/zinc/99/04/63/978990463.db2.gz JXROEVDLXNOSLZ-MRXNPFEDSA-N 1 0 368.428 1.444 20 10 FDCDRO CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881849569 980210252 /nfs/dbraw/zinc/21/02/52/980210252.db2.gz FSFHSARDMMBHHU-GOSISDBHSA-N 1 0 372.513 1.703 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3cc(Cl)cn3)cc2)CC1 ZINC000881850088 980210699 /nfs/dbraw/zinc/21/06/99/980210699.db2.gz NFKKINQXYUKAGN-UHFFFAOYSA-N 1 0 361.877 1.995 20 10 FDCDRO CNC(=O)c1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851376 980213129 /nfs/dbraw/zinc/21/31/29/980213129.db2.gz SNSALOGODMROTG-UHFFFAOYSA-N 1 0 366.465 1.728 20 10 FDCDRO Cn1nccc1COCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853929 980218314 /nfs/dbraw/zinc/21/83/14/980218314.db2.gz OMSZILGYERNNKT-UHFFFAOYSA-N 1 0 357.458 1.005 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCCO4)cc2)CC1 ZINC000881853910 980218748 /nfs/dbraw/zinc/21/87/48/980218748.db2.gz OCUJGUWXYKXRBN-UHFFFAOYSA-N 1 0 355.442 1.347 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC34OCCO4)cc2)CC1 ZINC000881854023 980219441 /nfs/dbraw/zinc/21/94/41/980219441.db2.gz SDIRAIVLXUOZBY-SFHVURJKSA-N 1 0 359.470 1.598 20 10 FDCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000881855172 980220415 /nfs/dbraw/zinc/22/04/15/980220415.db2.gz QBCUAOWELGJXLH-HKUYNNGSSA-N 1 0 361.486 1.496 20 10 FDCDRO CN(CC1CC1)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664214 980803924 /nfs/dbraw/zinc/80/39/24/980803924.db2.gz OTSJPAINVMRUEX-UHFFFAOYSA-N 1 0 352.504 1.115 20 10 FDCDRO CC(C)OCCS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664028 980803942 /nfs/dbraw/zinc/80/39/42/980803942.db2.gz GWBVEBSOUZRTJE-UHFFFAOYSA-N 1 0 355.504 1.283 20 10 FDCDRO COc1cccc(O)c1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000776959279 981673101 /nfs/dbraw/zinc/67/31/01/981673101.db2.gz XQWAAKVNLDDTGF-UHFFFAOYSA-N 1 0 356.488 1.941 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ncccc3S(C)(=O)=O)cc2)CC1 ZINC000882880526 981770439 /nfs/dbraw/zinc/77/04/39/981770439.db2.gz XAGQAPOAHXSLLV-UHFFFAOYSA-N 1 0 360.483 1.849 20 10 FDCDRO C[C@@H](O)CNc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000882880233 981770526 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COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000883370445 982098534 /nfs/dbraw/zinc/09/85/34/982098534.db2.gz LMIMNWDSBXKWHN-DLBZAZTESA-N 1 0 363.502 1.848 20 10 FDCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372243 982101142 /nfs/dbraw/zinc/10/11/42/982101142.db2.gz STBFKDWEQXYJMW-OAHLLOKOSA-N 1 0 353.894 1.932 20 10 FDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372242 982101415 /nfs/dbraw/zinc/10/14/15/982101415.db2.gz STBFKDWEQXYJMW-HNNXBMFYSA-N 1 0 353.894 1.932 20 10 FDCDRO CCO[C@@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000858611937 982153277 /nfs/dbraw/zinc/15/32/77/982153277.db2.gz OWTFXXPJURQDEF-SJORKVTESA-N 1 0 355.504 1.487 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(F)cn3)cc2)CC1 ZINC000883527335 982246308 /nfs/dbraw/zinc/24/63/08/982246308.db2.gz QVUGFMUZSSTVDB-UHFFFAOYSA-N 1 0 357.433 1.972 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1csnn1 ZINC000883747696 982435094 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FDCDRO COc1ccc(N2CCN(C(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000877228380 993120275 /nfs/dbraw/zinc/12/02/75/993120275.db2.gz YSQDXBCQEPFMNK-KQQSKNTNSA-N 1 0 359.470 1.908 20 10 FDCDRO C[C@@H](NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)c1ccccc1O ZINC000877256216 993153211 /nfs/dbraw/zinc/15/32/11/993153211.db2.gz POYRGDWDXRCADC-NXEZZACHSA-N 1 0 351.357 1.947 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000877427300 993280451 /nfs/dbraw/zinc/28/04/51/993280451.db2.gz YFVJWKDWTKUKEL-IDTUSYRASA-N 1 0 350.422 1.934 20 10 FDCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nc2ccccn12 ZINC000877614405 993380993 /nfs/dbraw/zinc/38/09/93/993380993.db2.gz IEXNVOJGYCATLR-UHFFFAOYSA-N 1 0 364.449 1.945 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CC2(O)CCOCC2)cc1 ZINC000878805152 994244660 /nfs/dbraw/zinc/24/46/60/994244660.db2.gz GPXJWLYVOGVIED-QGZVFWFLSA-N 1 0 352.475 1.356 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC4(C3)OCCO4)cc2)CC1 ZINC000924009043 994319367 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FDCDRO Cc1cnc(COCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891249487 774108129 /nfs/dbraw/zinc/10/81/29/774108129.db2.gz QZUQJUJNIFEUIU-QGZVFWFLSA-N 1 0 360.458 1.985 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3c2nnn3C)[NH+](C)C)cc1 ZINC000891249659 774109932 /nfs/dbraw/zinc/10/99/32/774109932.db2.gz RSISUOLFDUCFGA-MRXNPFEDSA-N 1 0 367.457 1.462 20 10 FDCDRO COc1coc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1=O ZINC000891250748 774125946 /nfs/dbraw/zinc/12/59/46/774125946.db2.gz ZQFCDSQNEDGRNM-OAHLLOKOSA-N 1 0 359.426 1.747 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000891254599 774147519 /nfs/dbraw/zinc/14/75/19/774147519.db2.gz ZMUTXXIEYASMSJ-HNAYVOBHSA-N 1 0 355.486 2.000 20 10 FDCDRO CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254985 774152068 /nfs/dbraw/zinc/15/20/68/774152068.db2.gz LRYBNFMEVTUFKF-OALUTQOASA-N 1 0 360.502 1.873 20 10 FDCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1C(=O)CCC1=O ZINC000891256218 774162608 /nfs/dbraw/zinc/16/26/08/774162608.db2.gz VVLFBLBLFBOARW-CJNGLKHVSA-N 1 0 360.458 1.009 20 10 FDCDRO CC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891255270 774168168 /nfs/dbraw/zinc/16/81/68/774168168.db2.gz OCDWFMRRNCSNFE-IEBWSBKVSA-N 1 0 360.502 1.730 20 10 FDCDRO CCOC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c[n+]([O-])c1 ZINC001167434917 774823513 /nfs/dbraw/zinc/82/35/13/774823513.db2.gz ZIFMGWUNNFGWLL-UHFFFAOYSA-N 1 0 370.453 1.861 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCn2ccnc2)[NH+](C)C)cc1 ZINC000891428902 777069014 /nfs/dbraw/zinc/06/90/14/777069014.db2.gz GTACGDOTCXDRGT-SFHVURJKSA-N 1 0 358.490 1.941 20 10 FDCDRO COC(=O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891516205 778187992 /nfs/dbraw/zinc/18/79/92/778187992.db2.gz GBFLHUMPVWAZPH-INIZCTEOSA-N 1 0 350.463 1.608 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]([NH+](C)C)CC1)cc2=O ZINC000277243407 781177381 /nfs/dbraw/zinc/17/73/81/781177381.db2.gz PQCDBEFRVOUJCO-CQSZACIVSA-N 1 0 361.446 1.528 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)c(OC)c1 ZINC000892139598 781739391 /nfs/dbraw/zinc/73/93/91/781739391.db2.gz QVLANWPBWKGSRJ-CQSZACIVSA-N 1 0 350.463 1.663 20 10 FDCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377877598 792973681 /nfs/dbraw/zinc/97/36/81/792973681.db2.gz BZLXOGUIDXIVIE-JKSUJKDBSA-N 1 0 359.470 1.933 20 10 FDCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000378437478 794139191 /nfs/dbraw/zinc/13/91/91/794139191.db2.gz GNLPNRWNDZMOIZ-UHFFFAOYSA-N 1 0 361.486 1.919 20 10 FDCDRO Cc1cccc(C[NH+]2CCC([C@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)c1O ZINC000378445547 794146732 /nfs/dbraw/zinc/14/67/32/794146732.db2.gz VEANJKCESAJKJK-SFHVURJKSA-N 1 0 373.453 1.044 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000785298624 804867240 /nfs/dbraw/zinc/86/72/40/804867240.db2.gz XAXTWSKTUSMKLC-CYBMUJFWSA-N 1 0 371.437 1.845 20 10 FDCDRO C/C(=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnccn1 ZINC000893607797 807041294 /nfs/dbraw/zinc/04/12/94/807041294.db2.gz LKGXXHSKURZTNK-DTQAZKPQSA-N 1 0 351.454 1.948 20 10 FDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000729328640 811147565 /nfs/dbraw/zinc/14/75/65/811147565.db2.gz UTLLCCYSWSXYFJ-IEBWSBKVSA-N 1 0 372.513 1.879 20 10 FDCDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(O)c1O ZINC000280025364 811696920 /nfs/dbraw/zinc/69/69/20/811696920.db2.gz XMCLXQSSEKAXLW-DOTOQJQBSA-N 1 0 356.422 1.711 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@](C)(O)CC3)CC2)cc1 ZINC000280287774 811764047 /nfs/dbraw/zinc/76/40/47/811764047.db2.gz ZJGINEPATPRXST-HXUWFJFHSA-N 1 0 361.486 1.581 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419710750 812101349 /nfs/dbraw/zinc/10/13/49/812101349.db2.gz RBLUQNONJOHDQN-HIFRSBDPSA-N 1 0 372.469 1.332 20 10 FDCDRO Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n(C)n1 ZINC000894682787 818318136 /nfs/dbraw/zinc/31/81/36/818318136.db2.gz HGVRQNXCVZAGCV-SFHVURJKSA-N 1 0 358.490 1.897 20 10 FDCDRO CCc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000895063600 819820244 /nfs/dbraw/zinc/82/02/44/819820244.db2.gz WXXYTSBDSZQASF-OAHLLOKOSA-N 1 0 359.478 1.535 20 10 FDCDRO O=C1N(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCCN12 ZINC000895342084 822509082 /nfs/dbraw/zinc/50/90/82/822509082.db2.gz LYZVVRRKOIBIQD-IBGZPJMESA-N 1 0 358.486 1.903 20 10 FDCDRO COc1ccc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1OC ZINC000895655250 822686989 /nfs/dbraw/zinc/68/69/89/822686989.db2.gz QCSJCNNRPNLXMA-UHFFFAOYSA-N 1 0 374.393 1.909 20 10 FDCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895875946 822776707 /nfs/dbraw/zinc/77/67/07/822776707.db2.gz CPWBUTXNMKPKIP-MRXNPFEDSA-N 1 0 360.502 1.931 20 10 FDCDRO C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000895894634 823732048 /nfs/dbraw/zinc/73/20/48/823732048.db2.gz MRJOERQIOWGXLO-DNVCBOLYSA-N 1 0 359.470 1.421 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CNC(=O)C2)[NH+](C)C)cc1 ZINC000896689784 824796858 /nfs/dbraw/zinc/79/68/58/824796858.db2.gz IYOOWRFDAMPWOB-RHSMWYFYSA-N 1 0 361.490 1.181 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CC=CCC3)cc2)CC1 ZINC000897526802 836583063 /nfs/dbraw/zinc/58/30/63/836583063.db2.gz KAQSOJTVWCXZQX-KRWDZBQOSA-N 1 0 370.497 1.527 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCC(C)(C)C)cc2)CC1 ZINC000897653316 840178946 /nfs/dbraw/zinc/17/89/46/840178946.db2.gz PWWSTWHUYYOKTD-UHFFFAOYSA-N 1 0 374.529 1.997 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCN2CC)cc1F ZINC000897674251 840236130 /nfs/dbraw/zinc/23/61/30/840236130.db2.gz ROLPKRDBVPFWOW-HNNXBMFYSA-N 1 0 364.465 1.499 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1F ZINC000841978366 840318947 /nfs/dbraw/zinc/31/89/47/840318947.db2.gz QONPTWOOUUKGMK-CZUORRHYSA-N 1 0 350.438 1.664 20 10 FDCDRO CC(C)N(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000898324481 840944760 /nfs/dbraw/zinc/94/47/60/840944760.db2.gz OGBAGGBPWBKOEC-UHFFFAOYSA-N 1 0 358.486 1.454 20 10 FDCDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1O)CCS2(=O)=O ZINC000898487402 844775748 /nfs/dbraw/zinc/77/57/48/844775748.db2.gz FBVRTJGHUAFZEX-KDJCLPLCSA-N 1 0 371.430 1.520 20 10 FDCDRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000913173164 861587347 /nfs/dbraw/zinc/58/73/47/861587347.db2.gz TVKGYGWZOYYGDK-UHFFFAOYSA-N 1 0 370.475 1.614 20 10 FDCDRO CO[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H]1OC ZINC000899103370 845776578 /nfs/dbraw/zinc/77/65/78/845776578.db2.gz KZOTWIJAIUTQPL-KURKYZTESA-N 1 0 364.490 1.411 20 10 FDCDRO COC[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100808 845797829 /nfs/dbraw/zinc/79/78/29/845797829.db2.gz DYWBKXLEMWCETF-FUHWJXTLSA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCn3ncnc3C2)[NH+](C)C)cc1 ZINC000899100916 845798762 /nfs/dbraw/zinc/79/87/62/845798762.db2.gz CTGCEMAQGCLGOT-MRXNPFEDSA-N 1 0 357.462 1.172 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000842265838 846128411 /nfs/dbraw/zinc/12/84/11/846128411.db2.gz XFJNLUJTMIFBQD-OAQYLSRUSA-N 1 0 372.513 1.750 20 10 FDCDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000913394350 861993507 /nfs/dbraw/zinc/99/35/07/861993507.db2.gz CVZVQKADHHTKSK-UHFFFAOYSA-N 1 0 355.460 1.320 20 10 FDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000905480214 851952683 /nfs/dbraw/zinc/95/26/83/851952683.db2.gz FLAWLLRAJIHKPJ-IBGZPJMESA-N 1 0 354.454 1.607 20 10 FDCDRO COC[C@@H](C)CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460516 855445507 /nfs/dbraw/zinc/44/55/07/855445507.db2.gz WDWDIFGUJHCUAT-RHSMWYFYSA-N 1 0 357.520 1.557 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(N)c2)[NH+](C)C)cc1 ZINC000908460459 855445556 /nfs/dbraw/zinc/44/55/56/855445556.db2.gz ULTOBKFEHRWECE-GOSISDBHSA-N 1 0 362.499 1.916 20 10 FDCDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159536 858242156 /nfs/dbraw/zinc/24/21/56/858242156.db2.gz RANWYLVUCPULOJ-OXQOHEQNSA-N 1 0 354.454 1.019 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cc2)CC1 ZINC000911249611 858364175 /nfs/dbraw/zinc/36/41/75/858364175.db2.gz JXVNRMNRVXONCJ-NZSAHSFTSA-N 1 0 370.497 1.548 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(N(C)C)cc1 ZINC000911225065 858369509 /nfs/dbraw/zinc/36/95/09/858369509.db2.gz AYQVJNUTMQYNKZ-MGPUTAFESA-N 1 0 358.486 1.674 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000911227291 858373548 /nfs/dbraw/zinc/37/35/48/858373548.db2.gz BTNRIERLUKSMRD-DOTOQJQBSA-N 1 0 358.486 1.346 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911231081 858379602 /nfs/dbraw/zinc/37/96/02/858379602.db2.gz XLPSSPVHGJOYTJ-WIYYLYMNSA-N 1 0 370.497 1.551 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911377984 858572256 /nfs/dbraw/zinc/57/22/56/858572256.db2.gz KANLDQZDKZLSAK-WBVHZDCISA-N 1 0 360.502 1.461 20 10 FDCDRO CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC000911665149 858877379 /nfs/dbraw/zinc/87/73/79/858877379.db2.gz AJLUUONARWZEMJ-QRVBRYPASA-N 1 0 362.518 1.758 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NCCCC[NH+]3CCOCC3)ccc21 ZINC000057661533 863212177 /nfs/dbraw/zinc/21/21/77/863212177.db2.gz WHKWJOXXKMQPPU-UHFFFAOYSA-N 1 0 360.502 1.981 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@](C)(CC)CC(=O)OC)cc2=O ZINC000760913040 863433449 /nfs/dbraw/zinc/43/34/49/863433449.db2.gz SOOBVCILTLDGKN-KRWDZBQOSA-N 1 0 364.402 1.433 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3O)cc2F)CC1 ZINC000172585569 865697538 /nfs/dbraw/zinc/69/75/38/865697538.db2.gz PTOOPKDYSFPHAQ-SJLPKXTDSA-N 1 0 364.465 1.680 20 10 FDCDRO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000923595542 868690879 /nfs/dbraw/zinc/69/08/79/868690879.db2.gz UZJHLKMYPNQEIT-YOEHRIQHSA-N 1 0 353.488 1.256 20 10 FDCDRO Fc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc(F)c1N1CCOCC1 ZINC000922176504 873417428 /nfs/dbraw/zinc/41/74/28/873417428.db2.gz GMZOUOADPJIPLS-UHFFFAOYSA-N 1 0 364.396 1.818 20 10 FDCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)nn1 ZINC000762457376 875947093 /nfs/dbraw/zinc/94/70/93/875947093.db2.gz BTGSXVMIEIFIEY-LRDDRELGSA-N 1 0 374.397 1.033 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000763049888 877685045 /nfs/dbraw/zinc/68/50/45/877685045.db2.gz JIWRJSLMBKCZGO-GOSISDBHSA-N 1 0 352.454 1.538 20 10 FDCDRO COc1cccc(C[NH2+]CC(=O)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000922763498 879206947 /nfs/dbraw/zinc/20/69/47/879206947.db2.gz GSRNXPBVUBBNGX-UHFFFAOYSA-N 1 0 371.437 1.265 20 10 FDCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1c(O)cccc1Br ZINC000708293423 886901550 /nfs/dbraw/zinc/90/15/50/886901550.db2.gz TYFAWKMTEGHBIA-UHFFFAOYSA-N 1 0 351.266 1.572 20 10 FDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000477057518 888053177 /nfs/dbraw/zinc/05/31/77/888053177.db2.gz 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CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000765758053 909010697 /nfs/dbraw/zinc/01/06/97/909010697.db2.gz HROWMPXRDPMCQN-MRXNPFEDSA-N 1 0 368.547 1.371 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C)cc1C ZINC001082903563 910792402 /nfs/dbraw/zinc/79/24/02/910792402.db2.gz OQFVXLXYJAVIEI-RHSMWYFYSA-N 1 0 370.453 1.348 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CCO)CC(C)(C)C)CC2)cc1 ZINC000730378418 916666898 /nfs/dbraw/zinc/66/68/98/916666898.db2.gz OEYVAODFKAYOFN-UHFFFAOYSA-N 1 0 363.502 1.684 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000735871027 924611350 /nfs/dbraw/zinc/61/13/50/924611350.db2.gz JUWLNVUXCKUNIF-SFHVURJKSA-N 1 0 372.513 1.703 20 10 FDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000735926010 924676509 /nfs/dbraw/zinc/67/65/09/924676509.db2.gz CXNUOHORBNOLGO-LLVKDONJSA-N 1 0 364.261 1.830 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169495585 928681707 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O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788935724 932897706 /nfs/dbraw/zinc/89/77/06/932897706.db2.gz DBWCNUJXFIWDRK-MRXNPFEDSA-N 1 0 356.470 1.256 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000790272376 933461043 /nfs/dbraw/zinc/46/10/43/933461043.db2.gz DUHHUCVKDONELU-WBAXXEDZSA-N 1 0 358.486 1.673 20 10 FDCDRO COc1ccc(N2CCN(CCNc3ccc4nc(C)nn4n3)CC2)cc1 ZINC000804388134 938408926 /nfs/dbraw/zinc/40/89/26/938408926.db2.gz PVAYKTULRPNBKO-UHFFFAOYSA-N 1 0 367.457 1.675 20 10 FDCDRO C[C@](O)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000804531742 938459945 /nfs/dbraw/zinc/45/99/45/938459945.db2.gz DLCCTCREGJYUTK-OAQYLSRUSA-N 1 0 357.498 1.996 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000807101150 940250665 /nfs/dbraw/zinc/25/06/65/940250665.db2.gz QMSBEDAMZWOGAF-WBVHZDCISA-N 1 0 374.529 1.914 20 10 FDCDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000807102987 940250709 /nfs/dbraw/zinc/25/07/09/940250709.db2.gz KFGZNDLIBZCZEQ-MRXNPFEDSA-N 1 0 360.502 1.525 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822961708 945336337 /nfs/dbraw/zinc/33/63/37/945336337.db2.gz MTBNHOVSYGQNPR-MRXNPFEDSA-N 1 0 364.490 1.399 20 10 FDCDRO COc1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c(O)cc1C ZINC000811789015 941166151 /nfs/dbraw/zinc/16/61/51/941166151.db2.gz QDRMNNXFELGCGS-UHFFFAOYSA-N 1 0 357.476 1.023 20 10 FDCDRO C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)NCCCO)CC3)cc2)CC1 ZINC000775651989 970923564 /nfs/dbraw/zinc/92/35/64/970923564.db2.gz DKHWQNSOCMLMCM-UHFFFAOYSA-N 1 0 374.529 1.149 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000817816865 943021470 /nfs/dbraw/zinc/02/14/70/943021470.db2.gz HNYWPDCOTYDFKW-HZPDHXFCSA-N 1 0 374.529 1.707 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000817861201 943049873 /nfs/dbraw/zinc/04/98/73/943049873.db2.gz FVFBBLFZQXSWBE-MRXNPFEDSA-N 1 0 362.518 1.518 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817861248 943050649 /nfs/dbraw/zinc/05/06/49/943050649.db2.gz GXNZYIQKKBIPOW-APWZRJJASA-N 1 0 374.529 1.661 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817911095 943074467 /nfs/dbraw/zinc/07/44/67/943074467.db2.gz GNLOWDBQLKKBCM-INIZCTEOSA-N 1 0 372.513 1.463 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000817915659 943075195 /nfs/dbraw/zinc/07/51/95/943075195.db2.gz ODPHWZFAWNHXOB-WMLDXEAASA-N 1 0 371.437 1.710 20 10 FDCDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817916026 943076087 /nfs/dbraw/zinc/07/60/87/943076087.db2.gz UCBXKGVEYDJJHK-HNNXBMFYSA-N 1 0 371.437 1.711 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000817996060 943100322 /nfs/dbraw/zinc/10/03/22/943100322.db2.gz SLQHHQXQSQFPTJ-AEFFLSMTSA-N 1 0 358.486 1.312 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000817975915 943112239 /nfs/dbraw/zinc/11/22/39/943112239.db2.gz ZQBAFZRFVBUZNZ-RDJZCZTQSA-N 1 0 361.486 1.964 20 10 FDCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000818330117 943230012 /nfs/dbraw/zinc/23/00/12/943230012.db2.gz NMZQIXFSIMZUAK-CGZBRXJRSA-N 1 0 359.470 1.820 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000818655300 943318396 /nfs/dbraw/zinc/31/83/96/943318396.db2.gz KPXSQIBUBWSMHM-QAPCUYQASA-N 1 0 362.474 1.199 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000818676902 943338059 /nfs/dbraw/zinc/33/80/59/943338059.db2.gz QEPDVXXYCQCTOZ-PMPSAXMXSA-N 1 0 374.485 1.024 20 10 FDCDRO COCC[C@@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818993320 943376117 /nfs/dbraw/zinc/37/61/17/943376117.db2.gz ZJPHWXIWSGCNSY-SJLPKXTDSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3ccn(C)c3)CC2)cc1 ZINC000819129460 943452613 /nfs/dbraw/zinc/45/26/13/943452613.db2.gz JKUVTMLQHKTAPS-IBGZPJMESA-N 1 0 358.486 1.306 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000819169210 943459555 /nfs/dbraw/zinc/45/95/55/943459555.db2.gz YDAOKYLPCOEEIZ-OAHLLOKOSA-N 1 0 373.453 1.657 20 10 FDCDRO CC[C@@H](CSC)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819208084 943486142 /nfs/dbraw/zinc/48/61/42/943486142.db2.gz RROBWEZPLLZGNT-FUHWJXTLSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNOC/C=C\Cl)CC2)cc1 ZINC000819322553 943526533 /nfs/dbraw/zinc/52/65/33/943526533.db2.gz HNOSTKDCHBYFFL-AKDFZNLCSA-N 1 0 355.866 1.452 20 10 FDCDRO CC[C@@H](C)CONC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819327970 943528780 /nfs/dbraw/zinc/52/87/80/943528780.db2.gz KLLQQBNPEFBUCK-SJLPKXTDSA-N 1 0 351.491 1.745 20 10 FDCDRO CCn1ccnc1CNC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819343423 943534380 /nfs/dbraw/zinc/53/43/80/943534380.db2.gz KWZKFZHCAPJPHF-GOSISDBHSA-N 1 0 373.501 1.184 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000819356499 943540271 /nfs/dbraw/zinc/54/02/71/943540271.db2.gz FFQYDDMCJLPGLW-DSKINZAPSA-N 1 0 359.514 1.814 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000819358301 943540406 /nfs/dbraw/zinc/54/04/06/943540406.db2.gz CLWJZFYFWWTHAT-YVWKXTFCSA-N 1 0 363.502 1.335 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H]3CCCC3(F)F)CC2)cc1 ZINC000819314348 943545805 /nfs/dbraw/zinc/54/58/05/943545805.db2.gz YKIXRXSIQLFRLH-WMZOPIPTSA-N 1 0 369.456 1.956 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000819585500 943635232 /nfs/dbraw/zinc/63/52/32/943635232.db2.gz FWOPJJFBNOYWMW-LPHOPBHVSA-N 1 0 358.486 1.028 20 10 FDCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC000820029765 943871815 /nfs/dbraw/zinc/87/18/15/943871815.db2.gz ZXMDJYWXSGJOOB-MRXNPFEDSA-N 1 0 358.446 1.701 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823548412 945843119 /nfs/dbraw/zinc/84/31/19/945843119.db2.gz NUAJZFCWRRYCKD-IBGZPJMESA-N 1 0 370.497 1.803 20 10 FDCDRO CCn1nnc(C)c1C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000823716594 945957523 /nfs/dbraw/zinc/95/75/23/945957523.db2.gz KKDSQMUGOMDING-UHFFFAOYSA-N 1 0 358.490 1.527 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](O)C3CCC3)CC2)cc1 ZINC000823990739 946140281 /nfs/dbraw/zinc/14/02/81/946140281.db2.gz PTGJPBWBYLOBPY-LJQANCHMSA-N 1 0 361.486 1.485 20 10 FDCDRO O=C(NCCCO)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824560743 946537464 /nfs/dbraw/zinc/53/74/64/946537464.db2.gz LDIRDISLERJXTI-UHFFFAOYSA-N 1 0 371.275 1.865 20 10 FDCDRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824583478 946602395 /nfs/dbraw/zinc/60/23/95/946602395.db2.gz MOHANVVRHBJNDB-KRWDZBQOSA-N 1 0 351.466 1.599 20 10 FDCDRO Cc1cc(O)c(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1Cl ZINC000825222834 947058262 /nfs/dbraw/zinc/05/82/62/947058262.db2.gz PTTKQRZZSSQLIL-UHFFFAOYSA-N 1 0 360.907 1.953 20 10 FDCDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Br)cc1O)CC2 ZINC000825352035 947184616 /nfs/dbraw/zinc/18/46/16/947184616.db2.gz COLNSNDDOXBUFQ-LBPRGKRZSA-N 1 0 367.247 1.997 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](CO)C3)CC2)cc1 ZINC000856791175 971394677 /nfs/dbraw/zinc/39/46/77/971394677.db2.gz SJQZTKKPIYUOBN-IRXDYDNUSA-N 1 0 361.486 1.294 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(C)(C)CC[C@H]1CO)cc2=O ZINC000856803982 971404205 /nfs/dbraw/zinc/40/42/05/971404205.db2.gz OIVYKZGYTIGOJQ-ZDUSSCGKSA-N 1 0 362.430 1.595 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000844223871 947857184 /nfs/dbraw/zinc/85/71/84/947857184.db2.gz JAICRBUEYAUFDV-IBGZPJMESA-N 1 0 353.470 1.410 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN[C@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000844225948 947860262 /nfs/dbraw/zinc/86/02/62/947860262.db2.gz JFFIGKKEFTZCJQ-SFHVURJKSA-N 1 0 360.502 1.322 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN[C@@H]3[C@H](C)CC[NH2+][C@@H]3C)CC2)cc1 ZINC000844225437 947861413 /nfs/dbraw/zinc/86/14/13/947861413.db2.gz AMWFATWWZGLWMA-JXXFODFXSA-N 1 0 360.502 1.320 20 10 FDCDRO COc1ccc(N(C)CCN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000844399876 948029483 /nfs/dbraw/zinc/02/94/83/948029483.db2.gz RIOZBQFZLZKOGN-UHFFFAOYSA-N 1 0 374.529 1.806 20 10 FDCDRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844867607 948449658 /nfs/dbraw/zinc/44/96/58/948449658.db2.gz FJOIAWAYSHDUHQ-UHFFFAOYSA-N 1 0 354.882 1.871 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CCO)cc2F)CC1 ZINC000844954184 948569487 /nfs/dbraw/zinc/56/94/87/948569487.db2.gz CHBZZKAPFMOACG-OAHLLOKOSA-N 1 0 366.481 1.880 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1 ZINC000845064906 948658808 /nfs/dbraw/zinc/65/88/08/948658808.db2.gz MAUZIAUSTNYXGV-MAUKXSAKSA-N 1 0 364.490 1.492 20 10 FDCDRO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508671 949701043 /nfs/dbraw/zinc/70/10/43/949701043.db2.gz UWFNNBZUPFIGCL-UZLBHIALSA-N 1 0 369.421 1.727 20 10 FDCDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1c(F)ccc(O)c1O ZINC000857301512 971707660 /nfs/dbraw/zinc/70/76/60/971707660.db2.gz ULDWRMBZLVPURD-UHFFFAOYSA-N 1 0 352.406 1.858 20 10 FDCDRO Cc1nnnn1-c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000846662993 951429832 /nfs/dbraw/zinc/42/98/32/951429832.db2.gz CNRHNFCVLXCCPF-SFHVURJKSA-N 1 0 365.441 1.467 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000846672079 951436153 /nfs/dbraw/zinc/43/61/53/951436153.db2.gz CGHOXTDETVVSGE-IAGOWNOFSA-N 1 0 358.486 1.394 20 10 FDCDRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001144936082 951543371 /nfs/dbraw/zinc/54/33/71/951543371.db2.gz LZIUPUXDKZTKAB-KRWDZBQOSA-N 1 0 356.422 1.951 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000103601906 952463372 /nfs/dbraw/zinc/46/33/72/952463372.db2.gz RPJMXWBAMIJRGN-CQSZACIVSA-N 1 0 364.490 1.787 20 10 FDCDRO COc1ccnc(N(C(=O)c2cc(O)c(O)c(O)c2)C2CC[NH2+]CC2)c1 ZINC001148587055 952760118 /nfs/dbraw/zinc/76/01/18/952760118.db2.gz BULRYIXSHWWPBQ-UHFFFAOYSA-N 1 0 359.382 1.606 20 10 FDCDRO CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087031639 953128710 /nfs/dbraw/zinc/12/87/10/953128710.db2.gz ITAPINRBPXMAKM-KVSKMBFKSA-N 1 0 364.486 1.992 20 10 FDCDRO CCN1CC[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC001172023034 961412313 /nfs/dbraw/zinc/41/23/13/961412313.db2.gz JVGSZAITQPJOEQ-SFHVURJKSA-N 1 0 374.529 1.808 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C(C)(C)O)C1)cc2=O ZINC001175975750 963336856 /nfs/dbraw/zinc/33/68/56/963336856.db2.gz ZDMAULMFHMRJPR-LBPRGKRZSA-N 1 0 362.430 1.595 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000773739362 964183053 /nfs/dbraw/zinc/18/30/53/964183053.db2.gz GCUQDWHZUMJBLL-QVKFZJNVSA-N 1 0 370.449 1.782 20 10 FDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(I)cc2O)C1 ZINC001206432487 965609700 /nfs/dbraw/zinc/60/97/00/965609700.db2.gz CAMKLPQWHQAFFX-KOLCDFICSA-N 1 0 350.175 1.868 20 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968626000 /nfs/dbraw/zinc/62/60/00/968626000.db2.gz JGLCAIHDYZMSBA-CYBMUJFWSA-N 1 0 370.444 1.941 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C2)cc1 ZINC000854300549 968747997 /nfs/dbraw/zinc/74/79/97/968747997.db2.gz VLZLNFRRCNDXJS-WMZOPIPTSA-N 1 0 356.470 1.930 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000775834056 972976136 /nfs/dbraw/zinc/97/61/36/972976136.db2.gz OQFNFAGMDAOSMJ-YDHLFZDLSA-N 1 0 353.488 1.095 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccc[nH]c3=O)CC2)cc1 ZINC000863585370 973034588 /nfs/dbraw/zinc/03/45/88/973034588.db2.gz WXKQHLXRKHIFRA-GOSISDBHSA-N 1 0 372.469 1.069 20 10 FDCDRO CN(C)c1ccc(/C=C\CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642617 973078699 /nfs/dbraw/zinc/07/86/99/973078699.db2.gz SXCUMXQBKICTEC-ARJAWSKDSA-N 1 0 357.502 1.409 20 10 FDCDRO CN(C)c1ccc(CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)cc1 ZINC000864574050 973651690 /nfs/dbraw/zinc/65/16/90/973651690.db2.gz XIRIHJUQQOYQQD-INIZCTEOSA-N 1 0 364.490 1.824 20 10 FDCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000794806991 973996167 /nfs/dbraw/zinc/99/61/67/973996167.db2.gz JCUCKEHKGIAXMU-GOSISDBHSA-N 1 0 374.510 1.822 20 10 FDCDRO CC[C@@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000865203106 974183077 /nfs/dbraw/zinc/18/30/77/974183077.db2.gz ZKIXWTLKDSDPGA-QGZVFWFLSA-N 1 0 364.465 1.499 20 10 FDCDRO CCOC(=O)CCNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200183269 974711030 /nfs/dbraw/zinc/71/10/30/974711030.db2.gz YLGGCDMCJHUAKG-UHFFFAOYSA-N 1 0 365.499 1.774 20 10 FDCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc2ccccc2c1O ZINC000866551885 975776083 /nfs/dbraw/zinc/77/60/83/975776083.db2.gz DKVJZYMHBSWEJO-XOBRGWDASA-N 1 0 356.422 1.824 20 10 FDCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(N2CCCCC2)cc1 ZINC000866554340 975783082 /nfs/dbraw/zinc/78/30/82/975783082.db2.gz HAIDVXQUXBVUMY-DYESRHJHSA-N 1 0 373.497 1.955 20 10 FDCDRO COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC000867497440 976256039 /nfs/dbraw/zinc/25/60/39/976256039.db2.gz PSCNECBCCZZUNZ-MRXNPFEDSA-N 1 0 367.515 1.679 20 10 FDCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000848595581 976932933 /nfs/dbraw/zinc/93/29/33/976932933.db2.gz MBWWKJCWDXCXPH-GXTWGEPZSA-N 1 0 361.364 1.972 20 10 FDCDRO [NH2+]=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCCO1 ZINC000849014539 977290167 /nfs/dbraw/zinc/29/01/67/977290167.db2.gz RHAMNLDPJBOKNN-HNNXBMFYSA-N 1 0 350.438 1.580 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3ncc4ncccc43)CC2)cc1 ZINC000849325380 977427025 /nfs/dbraw/zinc/42/70/25/977427025.db2.gz GXLZXYRQWJYXOA-QGZVFWFLSA-N 1 0 367.453 1.623 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2F)CC1 ZINC000849353458 977448792 /nfs/dbraw/zinc/44/87/92/977448792.db2.gz CNMDMRBEAYVKKS-UHFFFAOYSA-N 1 0 372.444 1.894 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]CC3(F)CC3)CC2)cc1 ZINC000850366013 978340592 /nfs/dbraw/zinc/34/05/92/978340592.db2.gz XBCFJZJTGNREDI-UHFFFAOYSA-N 1 0 371.478 1.239 20 10 FDCDRO NC(=O)COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405978 978361644 /nfs/dbraw/zinc/36/16/44/978361644.db2.gz MQIXVEQSSXYWRM-UHFFFAOYSA-N 1 0 369.465 1.802 20 10 FDCDRO CC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000850519541 978414923 /nfs/dbraw/zinc/41/49/23/978414923.db2.gz NCNXZCUVNNPJGI-HNNXBMFYSA-N 1 0 355.504 1.535 20 10 FDCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000776498601 978713327 /nfs/dbraw/zinc/71/33/27/978713327.db2.gz OXFURHJCPTZSGF-PBHICJAKSA-N 1 0 355.456 1.617 20 10 FDCDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776519916 978853456 /nfs/dbraw/zinc/85/34/56/978853456.db2.gz FAHGHKMQAHQBCG-IBGZPJMESA-N 1 0 368.449 1.845 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)C2)cc1 ZINC000851639342 978981455 /nfs/dbraw/zinc/98/14/55/978981455.db2.gz DFXSEKSJBLRKJG-GDBMZVCRSA-N 1 0 370.457 1.220 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C2)cc1 ZINC000851639345 978981488 /nfs/dbraw/zinc/98/14/88/978981488.db2.gz DFXSEKSJBLRKJG-ZBFHGGJFSA-N 1 0 370.457 1.220 20 10 FDCDRO CCCN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000851680370 978994954 /nfs/dbraw/zinc/99/49/54/978994954.db2.gz IQLBUDZCOUTQOX-GOSISDBHSA-N 1 0 360.502 1.931 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000851684383 978996598 /nfs/dbraw/zinc/99/65/98/978996598.db2.gz AHHIRTSSDJKWKI-OAHLLOKOSA-N 1 0 374.485 1.088 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851686012 978997513 /nfs/dbraw/zinc/99/75/13/978997513.db2.gz VORVCGPHXQXRKF-OGWOLHLISA-N 1 0 374.529 1.694 20 10 FDCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851691383 979001095 /nfs/dbraw/zinc/00/10/95/979001095.db2.gz NJSPRWQCTYRPJT-GOSISDBHSA-N 1 0 362.518 1.979 20 10 FDCDRO C[C@@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898307 979172527 /nfs/dbraw/zinc/17/25/27/979172527.db2.gz 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C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000881853685 980218567 /nfs/dbraw/zinc/21/85/67/980218567.db2.gz GNKGZUNDETVVDL-UHFFFAOYSA-N 1 0 366.465 1.396 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC[C@H]3CCOC3)cc2)CC1 ZINC000882662898 980803338 /nfs/dbraw/zinc/80/33/38/980803338.db2.gz NZGJZAIDNMMBTE-QGZVFWFLSA-N 1 0 367.515 1.284 20 10 FDCDRO Cc1cc(CS(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000882663803 980803858 /nfs/dbraw/zinc/80/38/58/980803858.db2.gz AXIUWKAAMNXPCS-UHFFFAOYSA-N 1 0 364.471 1.354 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)Cc3ccon3)cc2)CC1 ZINC000882664125 980803932 /nfs/dbraw/zinc/80/39/32/980803932.db2.gz LBPDIWOXJOSWJF-UHFFFAOYSA-N 1 0 350.444 1.046 20 10 FDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000883154346 981984096 /nfs/dbraw/zinc/98/40/96/981984096.db2.gz GDVKMIXKAURSKE-HNNXBMFYSA-N 1 0 364.465 1.680 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN[C@H](c3nc[nH]n3)c3cccnc3)cc2)CC1 ZINC000883291114 982048752 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FDCDRO COC(=O)c1c(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c2cc(F)ccc2n1C ZINC000894346732 817430949 /nfs/dbraw/zinc/43/09/49/817430949.db2.gz WVAPSYIAWULSQB-SJKOYZFVSA-N 1 0 363.433 1.913 20 10 FDCDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000894383728 817994890 /nfs/dbraw/zinc/99/48/90/817994890.db2.gz AMQKVTYRPVYCSS-INIZCTEOSA-N 1 0 353.470 1.964 20 10 FDCDRO COC(=O)c1c(CN2CC[N@H+](CCO)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894504669 818130516 /nfs/dbraw/zinc/13/05/16/818130516.db2.gz VMVOQNKSGFUCCW-ZDUSSCGKSA-N 1 0 363.433 1.602 20 10 FDCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c2cc(F)ccc2n1C ZINC000894592098 818233703 /nfs/dbraw/zinc/23/37/03/818233703.db2.gz GXTXWRCNLOSXMK-LJQANCHMSA-N 1 0 359.401 1.816 20 10 FDCDRO Nc1nn2c(nc(CN(Cc3ccco3)Cc3ccccc3O)cc2=O)[nH]1 ZINC001167983491 818454299 /nfs/dbraw/zinc/45/42/99/818454299.db2.gz NFNONTLLQIEEHF-UHFFFAOYSA-N 1 0 366.381 1.501 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497824 819858319 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FDCDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000897045542 826813337 /nfs/dbraw/zinc/81/33/37/826813337.db2.gz JARXKHZTCNQNED-ZDUSSCGKSA-N 1 0 369.259 1.618 20 10 FDCDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000897040716 826822883 /nfs/dbraw/zinc/82/28/83/826822883.db2.gz JJYAAYMBXARTKP-CYBMUJFWSA-N 1 0 369.259 1.618 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc2N1 ZINC000301669366 827666344 /nfs/dbraw/zinc/66/63/44/827666344.db2.gz DOWXPZDPFLRBBS-OUCADQQQSA-N 1 0 358.398 1.846 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc2N1 ZINC000301669367 827666404 /nfs/dbraw/zinc/66/64/04/827666404.db2.gz DOWXPZDPFLRBBS-SCRDCRAPSA-N 1 0 358.398 1.846 20 10 FDCDRO CC(C)CC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897328680 828165704 /nfs/dbraw/zinc/16/57/04/828165704.db2.gz WLIRBSQSIYLREC-QGZVFWFLSA-N 1 0 374.529 1.996 20 10 FDCDRO C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897333494 828226808 /nfs/dbraw/zinc/22/68/08/828226808.db2.gz XFMFPYNQPUJXCB-LPHOPBHVSA-N 1 0 372.513 1.750 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915166 839977737 /nfs/dbraw/zinc/97/77/37/839977737.db2.gz MWNWJOOQNFGRTR-AWEZNQCLSA-N 1 0 368.428 1.695 20 10 FDCDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2cc(O)c(O)cc2s1 ZINC000897876067 840530116 /nfs/dbraw/zinc/53/01/16/840530116.db2.gz KFFCVWBOQPUMIT-GFCCVEGCSA-N 1 0 350.440 1.889 20 10 FDCDRO COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1(F)F ZINC000898449710 844697497 /nfs/dbraw/zinc/69/74/97/844697497.db2.gz JJVUZWQOCYOOKH-JYJNAYRXSA-N 1 0 355.429 1.999 20 10 FDCDRO CCCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000842147568 844975910 /nfs/dbraw/zinc/97/59/10/844975910.db2.gz GRWLHSSBGHQTNH-AWEZNQCLSA-N 1 0 350.438 1.108 20 10 FDCDRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C[NH3+] ZINC000842170615 845203366 /nfs/dbraw/zinc/20/33/66/845203366.db2.gz KXNGCMTWDZYQDA-DOTOQJQBSA-N 1 0 356.470 1.122 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000842210330 845627877 /nfs/dbraw/zinc/62/78/77/845627877.db2.gz ZAMXGPCNMRJEES-CJNGLKHVSA-N 1 0 364.465 1.484 20 10 FDCDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842224391 845732247 /nfs/dbraw/zinc/73/22/47/845732247.db2.gz LULPFUZCNXWTPE-UHFFFAOYSA-N 1 0 359.426 1.630 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCOC[C@H]2CCO)[NH+](C)C)cc1 ZINC000899096837 845757726 /nfs/dbraw/zinc/75/77/26/845757726.db2.gz VEDODAKPQGVDLN-MSOLQXFVSA-N 1 0 364.490 1.148 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842228562 845765411 /nfs/dbraw/zinc/76/54/11/845765411.db2.gz AABROUALNJDXHA-DLBZAZTESA-N 1 0 360.502 1.877 20 10 FDCDRO O=C(NCC[NH2+]C1CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842235082 845790738 /nfs/dbraw/zinc/79/07/38/845790738.db2.gz YKSLYFWWGPCCFP-UHFFFAOYSA-N 1 0 359.470 1.922 20 10 FDCDRO CNC(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899099366 845794978 /nfs/dbraw/zinc/79/49/78/845794978.db2.gz ZRIFPNDEZVDXBP-WBVHZDCISA-N 1 0 361.490 1.133 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC000899101266 845798789 /nfs/dbraw/zinc/79/87/89/845798789.db2.gz GVGIPQIYLFVZSP-WMLDXEAASA-N 1 0 361.490 1.262 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000905004006 851566847 /nfs/dbraw/zinc/56/68/47/851566847.db2.gz ZYGRITSECTWSCS-UTKZUKDTSA-N 1 0 372.513 1.831 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000905004004 851567035 /nfs/dbraw/zinc/56/70/35/851567035.db2.gz ZYGRITSECTWSCS-LAUBAEHRSA-N 1 0 372.513 1.831 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905082326 851634287 /nfs/dbraw/zinc/63/42/87/851634287.db2.gz MBKYSIMCMWPXIT-MJGOQNOKSA-N 1 0 350.459 1.156 20 10 FDCDRO COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000905345312 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FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911122858 858174217 /nfs/dbraw/zinc/17/42/17/858174217.db2.gz FZJKKWVYTPBBDA-FQEVSTJZSA-N 1 0 358.486 1.422 20 10 FDCDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159534 858242509 /nfs/dbraw/zinc/24/25/09/858242509.db2.gz RANWYLVUCPULOJ-JXFKEZNVSA-N 1 0 354.454 1.019 20 10 FDCDRO CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106035270 864916557 /nfs/dbraw/zinc/91/65/57/864916557.db2.gz PWWVMODWCBCOBJ-NVXWUHKLSA-N 1 0 361.486 1.714 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[NH+](CC(C)(C)O)CC3)ccc21 ZINC000151532352 867987388 /nfs/dbraw/zinc/98/73/88/867987388.db2.gz PSDJIJYXAZLXTF-UHFFFAOYSA-N 1 0 360.502 1.667 20 10 FDCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000708343268 886901056 /nfs/dbraw/zinc/90/10/56/886901056.db2.gz VICHEYGQDDMCMZ-UHFFFAOYSA-N 1 0 351.266 1.572 20 10 FDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000914242015 871990807 /nfs/dbraw/zinc/99/08/07/871990807.db2.gz XZILTUSHSYRFQO-UHFFFAOYSA-N 1 0 350.438 1.556 20 10 FDCDRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000762359391 875807390 /nfs/dbraw/zinc/80/73/90/875807390.db2.gz NJCSJBXXQZEVSV-MSOLQXFVSA-N 1 0 364.559 1.688 20 10 FDCDRO COc1cc(C[NH2+]C[C@]2(CO)COCCN2C)c(O)c(C(C)(C)C)c1 ZINC000922532550 878469744 /nfs/dbraw/zinc/46/97/44/878469744.db2.gz FQXMVLHZJZYZAA-IBGZPJMESA-N 1 0 352.475 1.481 20 10 FDCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922636793 878865401 /nfs/dbraw/zinc/86/54/01/878865401.db2.gz VDCUBYUTEPQESC-UHFFFAOYSA-N 1 0 355.504 1.065 20 10 FDCDRO Cc1ncc2n1C[C@@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000918851972 884969148 /nfs/dbraw/zinc/96/91/48/884969148.db2.gz FFKIKXZGYSXUPX-SFHVURJKSA-N 1 0 367.497 1.822 20 10 FDCDRO CCCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918871657 884980379 /nfs/dbraw/zinc/98/03/79/884980379.db2.gz GWBDJDJUTWGCMJ-QGZVFWFLSA-N 1 0 361.490 1.282 20 10 FDCDRO CC[N@H+](CC(=O)[O-])C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000923234506 888521741 /nfs/dbraw/zinc/52/17/41/888521741.db2.gz HCRKLDJTLZYDSC-UHFFFAOYSA-N 1 0 361.486 1.894 20 10 FDCDRO CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1)OC ZINC001084109015 913453053 /nfs/dbraw/zinc/45/30/53/913453053.db2.gz QBBOQQRDSXHAPK-KFWWJZLASA-N 1 0 363.418 1.049 20 10 FDCDRO C[C@@H]1[C@H](C(=O)NCCC2=CCN(c3ncnc4nc[nH]c43)CC2)CC[N@@H+]1C ZINC001089870367 897838195 /nfs/dbraw/zinc/83/81/95/897838195.db2.gz SAFPZBFDNKOZLZ-UKRRQHHQSA-N 1 0 369.473 1.336 20 10 FDCDRO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(N)=O ZINC000766847823 928933840 /nfs/dbraw/zinc/93/38/40/928933840.db2.gz KHMKLYIWEDSPGO-INIZCTEOSA-N 1 0 372.469 1.024 20 10 FDCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769904200 929730055 /nfs/dbraw/zinc/73/00/55/929730055.db2.gz DUZXAMCXFKGPJZ-CQSZACIVSA-N 1 0 355.460 1.176 20 10 FDCDRO Cn1ncc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000786504053 931945459 /nfs/dbraw/zinc/94/54/59/931945459.db2.gz BLDUVOZGOUTLHD-UHFFFAOYSA-N 1 0 354.458 1.277 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788562192 932731979 /nfs/dbraw/zinc/73/19/79/932731979.db2.gz JQLQIKOWVACGQG-MJGOQNOKSA-N 1 0 372.513 1.844 20 10 FDCDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929432 932864535 /nfs/dbraw/zinc/86/45/35/932864535.db2.gz ICHSWASSTHPXLA-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000790192583 933407162 /nfs/dbraw/zinc/40/71/62/933407162.db2.gz WVBDXFGJJBLIAP-INIZCTEOSA-N 1 0 361.486 1.979 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000790184752 933421271 /nfs/dbraw/zinc/42/12/71/933421271.db2.gz AKLQJOYVWYHLCP-JKSUJKDBSA-N 1 0 360.502 1.778 20 10 FDCDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000790901094 933786986 /nfs/dbraw/zinc/78/69/86/933786986.db2.gz FMJRCPPWXGDRQT-INIZCTEOSA-N 1 0 371.437 1.117 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000806043247 938880241 /nfs/dbraw/zinc/88/02/41/938880241.db2.gz YWSNOFHAGWYQHN-DOTOQJQBSA-N 1 0 360.502 1.700 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000806279908 939878367 /nfs/dbraw/zinc/87/83/67/939878367.db2.gz DRJKGFMUPWLHJH-VXGBXAGGSA-N 1 0 368.528 1.483 20 10 FDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)C1 ZINC000806846187 940072424 /nfs/dbraw/zinc/07/24/24/940072424.db2.gz FQLAKOUITBWKNO-SJORKVTESA-N 1 0 358.486 1.659 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000807288259 940302773 /nfs/dbraw/zinc/30/27/73/940302773.db2.gz UQLAQYZMLAMFFA-IBGZPJMESA-N 1 0 368.481 1.376 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000807679440 940454605 /nfs/dbraw/zinc/45/46/05/940454605.db2.gz RVDVVKNNDVACGD-WDYCEAGBSA-N 1 0 372.513 1.873 20 10 FDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1F ZINC000809689126 940886714 /nfs/dbraw/zinc/88/67/14/940886714.db2.gz VIIPNUVMCNBMDI-HNNXBMFYSA-N 1 0 357.495 1.995 20 10 FDCDRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)c1 ZINC000809721241 940891819 /nfs/dbraw/zinc/89/18/19/940891819.db2.gz VXMVIZFLDDNWNC-UHFFFAOYSA-N 1 0 360.410 1.824 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)n1cncn1 ZINC000810211978 940968631 /nfs/dbraw/zinc/96/86/31/940968631.db2.gz YNBNKLAYBHMSQN-WBVHZDCISA-N 1 0 370.501 1.893 20 10 FDCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)C(F)(F)F ZINC000811786807 941165967 /nfs/dbraw/zinc/16/59/67/941165967.db2.gz XPDOINOSGBHIQX-YGRLFVJLSA-N 1 0 374.359 1.709 20 10 FDCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]1(C)CCCO1 ZINC000815579300 941911277 /nfs/dbraw/zinc/91/12/77/941911277.db2.gz JZUOYRHJVCQSSQ-MAUKXSAKSA-N 1 0 352.500 1.969 20 10 FDCDRO OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000816642396 942284497 /nfs/dbraw/zinc/28/44/97/942284497.db2.gz YKJWOHJLYRUMCI-LJQANCHMSA-N 1 0 357.458 1.444 20 10 FDCDRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000817173421 942609975 /nfs/dbraw/zinc/60/99/75/942609975.db2.gz RBTLXHRMQRTSJL-MRXNPFEDSA-N 1 0 374.529 1.709 20 10 FDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817286653 942658674 /nfs/dbraw/zinc/65/86/74/942658674.db2.gz XCPTUNGXJPMZQU-GDBMZVCRSA-N 1 0 365.449 1.124 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](O)CC13CCC3)cc2=O ZINC000817290276 942661472 /nfs/dbraw/zinc/66/14/72/942661472.db2.gz IIFFGUYPCQXHGU-ZDUSSCGKSA-N 1 0 360.414 1.491 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C ZINC001086804264 942759166 /nfs/dbraw/zinc/75/91/66/942759166.db2.gz BACLWCXJVCSXGX-HZMVEIRTSA-N 1 0 359.470 1.500 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000817828629 943035282 /nfs/dbraw/zinc/03/52/82/943035282.db2.gz KRMPGQMBOXEFEM-INIZCTEOSA-N 1 0 374.529 1.709 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000817830924 943041403 /nfs/dbraw/zinc/04/14/03/943041403.db2.gz HMEFLPACNAVMTM-SFHVURJKSA-N 1 0 360.502 1.618 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000817918133 943077502 /nfs/dbraw/zinc/07/75/02/943077502.db2.gz HXKDNOWKBQYVOM-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817920939 943078694 /nfs/dbraw/zinc/07/86/94/943078694.db2.gz YRXQKACEJKJDEV-QGZVFWFLSA-N 1 0 358.486 1.456 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000817922067 943079234 /nfs/dbraw/zinc/07/92/34/943079234.db2.gz PFBWNVXWCXVGDF-OAQYLSRUSA-N 1 0 372.513 1.703 20 10 FDCDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926629 943082647 /nfs/dbraw/zinc/08/26/47/943082647.db2.gz PWZYJCFZFSPWDG-MRXNPFEDSA-N 1 0 358.486 1.312 20 10 FDCDRO CN(C)C(=O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)(F)F ZINC000775657115 970960772 /nfs/dbraw/zinc/96/07/72/970960772.db2.gz UUIBGVPOLDEMAW-UHFFFAOYSA-N 1 0 372.435 1.891 20 10 FDCDRO Cc1cc(Br)cc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000775657802 970972313 /nfs/dbraw/zinc/97/23/13/970972313.db2.gz IGNFSOUVJHURGT-UHFFFAOYSA-N 1 0 373.291 1.590 20 10 FDCDRO C[C@H]1CN(c2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2F)C[C@H](C)O1 ZINC000818966621 943346167 /nfs/dbraw/zinc/34/61/67/943346167.db2.gz LTMSVBMWJIABRC-RYUDHWBXSA-N 1 0 352.410 1.114 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)cc1 ZINC000818941813 943353044 /nfs/dbraw/zinc/35/30/44/943353044.db2.gz RXBPNSSZVASCHH-SFHVURJKSA-N 1 0 368.437 1.720 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCc3ccc(C)o3)CC2)cc1 ZINC000818958053 943365325 /nfs/dbraw/zinc/36/53/25/943365325.db2.gz IJNPENLSBWZZBJ-LJQANCHMSA-N 1 0 373.497 1.912 20 10 FDCDRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997034 943377385 /nfs/dbraw/zinc/37/73/85/943377385.db2.gz QGWYTYRWMAXMLV-UHFFFAOYSA-N 1 0 355.456 1.468 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CSC)CC2)cc1 ZINC000819087483 943414083 /nfs/dbraw/zinc/41/40/83/943414083.db2.gz JPANKSBMNDCGOL-WBVHZDCISA-N 1 0 353.532 1.519 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](OC)C(C)C)CC2)cc1 ZINC000819128429 943451676 /nfs/dbraw/zinc/45/16/76/943451676.db2.gz UBQJFKUUNYPJEF-AZUAARDMSA-N 1 0 365.518 1.439 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000819225308 943497266 /nfs/dbraw/zinc/49/72/66/943497266.db2.gz VZEKJIXGBFXVGO-MJGOQNOKSA-N 1 0 363.502 1.194 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCOC(C)C)CC2)cc1 ZINC000819226315 943498023 /nfs/dbraw/zinc/49/80/23/943498023.db2.gz PMYBLOAXQMALLD-SFHVURJKSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000819272827 943521399 /nfs/dbraw/zinc/52/13/99/943521399.db2.gz INUJBTKSWFFFGV-SJLPKXTDSA-N 1 0 365.543 1.521 20 10 FDCDRO CN1CC[NH+](C[C@H](O)CNc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000819427304 943582542 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COc1cc(Cl)cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147630 946995245 /nfs/dbraw/zinc/99/52/45/946995245.db2.gz JAHBUTSUJUSATM-OAHLLOKOSA-N 1 0 367.877 1.841 20 10 FDCDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844197825 947866778 /nfs/dbraw/zinc/86/67/78/947866778.db2.gz XRQIRSUCMBLNRQ-MRXNPFEDSA-N 1 0 356.426 1.466 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CCO)cc2F)CC1 ZINC000844954182 948569093 /nfs/dbraw/zinc/56/90/93/948569093.db2.gz CHBZZKAPFMOACG-HNNXBMFYSA-N 1 0 366.481 1.880 20 10 FDCDRO O=C([C@@H]1COC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21)N1CCCC1 ZINC001144510447 949792538 /nfs/dbraw/zinc/79/25/38/949792538.db2.gz YZQHQUBPFWLDAH-XNRPHZJLSA-N 1 0 362.426 1.120 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000846150619 950565717 /nfs/dbraw/zinc/56/57/17/950565717.db2.gz KHRZHKSTDQJYJZ-ZIAGYGMSSA-N 1 0 372.487 1.540 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000846156409 950576115 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FDCDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000849584074 977788290 /nfs/dbraw/zinc/78/82/90/977788290.db2.gz CFZGBYUZJCTISB-DLBZAZTESA-N 1 0 358.442 1.486 20 10 FDCDRO CO[C@@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000850587198 978448943 /nfs/dbraw/zinc/44/89/43/978448943.db2.gz RRMZYQCXGYJESD-MSOLQXFVSA-N 1 0 369.531 1.877 20 10 FDCDRO CO[C@H](CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000850587201 978449027 /nfs/dbraw/zinc/44/90/27/978449027.db2.gz RRMZYQCXGYJESD-ZWKOTPCHSA-N 1 0 369.531 1.877 20 10 FDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C[NH3+] ZINC000851681846 978995614 /nfs/dbraw/zinc/99/56/14/978995614.db2.gz RAKUBFOCPHXOHL-DOTOQJQBSA-N 1 0 360.502 1.774 20 10 FDCDRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851682767 978995976 /nfs/dbraw/zinc/99/59/76/978995976.db2.gz XHYAKKUSULSXKC-QGZVFWFLSA-N 1 0 360.502 1.918 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000851687962 978999173 /nfs/dbraw/zinc/99/91/73/978999173.db2.gz MRXSYSGZEISFFC-QGZVFWFLSA-N 1 0 358.486 1.451 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851690737 979000647 /nfs/dbraw/zinc/00/06/47/979000647.db2.gz HSMYQHWWPBRILH-UHFFFAOYSA-N 1 0 370.497 1.504 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000852062920 979316710 /nfs/dbraw/zinc/31/67/10/979316710.db2.gz MGOHWDWDCHIBCU-IEZWGBDMSA-N 1 0 374.485 1.436 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(CC[NH3+])nn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000881021531 979589973 /nfs/dbraw/zinc/58/99/73/979589973.db2.gz FWZRRASPHRMZPP-UHFFFAOYSA-N 1 0 367.409 1.798 20 10 FDCDRO CC[C@@](C)([NH3+])c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022773 979590043 /nfs/dbraw/zinc/59/00/43/979590043.db2.gz DEPAUTDQWFDNGD-LJQANCHMSA-N 1 0 372.473 1.219 20 10 FDCDRO CN(C)c1ccc(CNC(=O)Cn2cc(C[NH2+]C3CCCC3)nn2)cc1 ZINC000881094977 979657394 /nfs/dbraw/zinc/65/73/94/979657394.db2.gz ZLZYQBYYCKQMNX-UHFFFAOYSA-N 1 0 356.474 1.693 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)n1-c1cccc(C)c1 ZINC000881227952 979753870 /nfs/dbraw/zinc/75/38/70/979753870.db2.gz LGVHNLCZFJCNOA-INIZCTEOSA-N 1 0 367.453 1.739 20 10 FDCDRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881380166 979895765 /nfs/dbraw/zinc/89/57/65/979895765.db2.gz MTGOLMLFCBLMOK-KRWDZBQOSA-N 1 0 373.501 1.848 20 10 FDCDRO CC(C)CC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850911 980211986 /nfs/dbraw/zinc/21/19/86/980211986.db2.gz KDIGBGODMFTGTD-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3ncc4cccnc43)cc2)CC1 ZINC000881854555 980219504 /nfs/dbraw/zinc/21/95/04/980219504.db2.gz GIRGSYIROZUZGI-UHFFFAOYSA-N 1 0 364.453 1.500 20 10 FDCDRO CN1CCCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000881854586 980220694 /nfs/dbraw/zinc/22/06/94/980220694.db2.gz HROFSHRVDXDPFY-GOSISDBHSA-N 1 0 358.486 1.313 20 10 FDCDRO COC1(CS(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000882662947 980803273 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CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000268189493 537011442 /nfs/dbraw/zinc/01/14/42/537011442.db2.gz DOCUJCMDXOEKEL-CYBMUJFWSA-N 1 0 369.487 1.471 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2ccccc2O)CC1=O ZINC000247402309 537116820 /nfs/dbraw/zinc/11/68/20/537116820.db2.gz PLUJZVOBVWUXHX-IRXDYDNUSA-N 1 0 359.470 1.683 20 10 FDCDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272508421 537288070 /nfs/dbraw/zinc/28/80/70/537288070.db2.gz WZGOGPFZNCJGLK-HKUYNNGSSA-N 1 0 358.486 1.759 20 10 FDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278568973 537339926 /nfs/dbraw/zinc/33/99/26/537339926.db2.gz BSFMLTMBKJQBKQ-JSGCOSHPSA-N 1 0 370.402 1.155 20 10 FDCDRO COc1c([O-])c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278921341 537342530 /nfs/dbraw/zinc/34/25/30/537342530.db2.gz UWLJJTNMXUASEQ-UHFFFAOYSA-N 1 0 352.435 1.425 20 10 FDCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283670131 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CC1(C)OCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295309545 537712035 /nfs/dbraw/zinc/71/20/35/537712035.db2.gz VQNPXCXFFLLQHZ-KRWDZBQOSA-N 1 0 365.449 1.436 20 10 FDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(CO)CCC1 ZINC000292185534 537714110 /nfs/dbraw/zinc/71/41/10/537714110.db2.gz QVMQEDAHENPMMD-UHFFFAOYSA-N 1 0 365.449 1.125 20 10 FDCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@]1(O)CCSC1 ZINC000367280993 537952614 /nfs/dbraw/zinc/95/26/14/537952614.db2.gz RJOGEJSFGQRXON-WMLDXEAASA-N 1 0 370.902 1.994 20 10 FDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000368028682 537973172 /nfs/dbraw/zinc/97/31/72/537973172.db2.gz FMTZGGWKXWMNPL-XYJFISCASA-N 1 0 363.502 1.799 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000892199560 782169465 /nfs/dbraw/zinc/16/94/65/782169465.db2.gz NUDVCZPJFHKIBL-KBPBESRZSA-N 1 0 350.463 1.661 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(N)=O)CC2)C1 ZINC000562467273 546148659 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O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1O)NC[C@@H]1CCCCO1 ZINC000111405027 671631971 /nfs/dbraw/zinc/63/19/71/671631971.db2.gz PMXZVAUGCGAQHM-AWEZNQCLSA-N 1 0 362.879 1.624 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171198619 672051989 /nfs/dbraw/zinc/05/19/89/672051989.db2.gz LIPISXUVEWJNEF-UHFFFAOYSA-N 1 0 366.531 1.617 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289340686 676122158 /nfs/dbraw/zinc/12/21/58/676122158.db2.gz HUZNWSQLDLCIHN-UHFFFAOYSA-N 1 0 362.879 1.815 20 10 FDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267371075 673296910 /nfs/dbraw/zinc/29/69/10/673296910.db2.gz STOBJOMRLSYTSG-WCQYABFASA-N 1 0 355.460 1.366 20 10 FDCDRO COc1cc(O)c(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000360791284 676875386 /nfs/dbraw/zinc/87/53/86/676875386.db2.gz FESITKWXDZFBSX-JKSUJKDBSA-N 1 0 350.459 1.831 20 10 FDCDRO O=S(=O)([C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCCC1 ZINC000362748122 676923512 /nfs/dbraw/zinc/92/35/12/676923512.db2.gz ODDFGDXYRWGMKS-ZDUSSCGKSA-N 1 0 354.428 1.121 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1OC ZINC000371360942 677665319 /nfs/dbraw/zinc/66/53/19/677665319.db2.gz LRGOZUNDOCPKIG-CYBMUJFWSA-N 1 0 356.444 1.066 20 10 FDCDRO CCOc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1O ZINC000378145415 678704017 /nfs/dbraw/zinc/70/40/17/678704017.db2.gz BPRDYFUILZBYRW-LJQANCHMSA-N 1 0 350.459 1.762 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000175773968 771287631 /nfs/dbraw/zinc/28/76/31/771287631.db2.gz HCBNMLXHUTVESR-CABCVRRESA-N 1 0 364.490 1.645 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccn3nnnc23)[NH+](C)C)cc1 ZINC000891245846 774082196 /nfs/dbraw/zinc/08/21/96/774082196.db2.gz JUSSKYRFLBWRMK-INIZCTEOSA-N 1 0 353.430 1.223 20 10 FDCDRO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1C ZINC000891249695 774109997 /nfs/dbraw/zinc/10/99/97/774109997.db2.gz SCHKRGHJBJPABQ-SFHVURJKSA-N 1 0 356.470 1.792 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891249734 774111195 /nfs/dbraw/zinc/11/11/95/774111195.db2.gz WDGSDHZCJNUHID-GOSISDBHSA-N 1 0 371.485 1.868 20 10 FDCDRO COC(=O)c1ccnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891249873 774111206 /nfs/dbraw/zinc/11/12/06/774111206.db2.gz UFTWZEJXTICLPU-SFHVURJKSA-N 1 0 370.453 1.967 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)cc2)[NH+](C)C)cc1 ZINC000891252085 774125098 /nfs/dbraw/zinc/12/50/98/774125098.db2.gz FXTNTLJBQNAMGW-GOSISDBHSA-N 1 0 354.454 1.884 20 10 FDCDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255121 774157855 /nfs/dbraw/zinc/15/78/55/774157855.db2.gz MWDPRNOXHRATNI-MRXNPFEDSA-N 1 0 374.445 1.585 20 10 FDCDRO CC(C)C(=O)NCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891562484 778337286 /nfs/dbraw/zinc/33/72/86/778337286.db2.gz UFFMSRHGUGTBEU-KRWDZBQOSA-N 1 0 363.506 1.427 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)c(OC)c1 ZINC000892023097 781241864 /nfs/dbraw/zinc/24/18/64/781241864.db2.gz UZQRABLCPSDXOB-UHFFFAOYSA-N 1 0 362.474 1.805 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000892090359 781498046 /nfs/dbraw/zinc/49/80/46/781498046.db2.gz VZIRCCMZRNYGQT-HUUCEWRRSA-N 1 0 362.474 1.805 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)c(OC)c1 ZINC000892098057 781515458 /nfs/dbraw/zinc/51/54/58/781515458.db2.gz WNOJDTWFYYBPEX-GJZGRUSLSA-N 1 0 362.474 1.676 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000892732497 790955290 /nfs/dbraw/zinc/95/52/90/790955290.db2.gz RGMBVCIAMZCVNE-ZOBUZTSGSA-N 1 0 352.500 1.997 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893053629 792669922 /nfs/dbraw/zinc/66/99/22/792669922.db2.gz OSVMBVPDOIDPCY-OALUTQOASA-N 1 0 360.502 1.802 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2nnnn2C2CC2)[NH+](C)C)cc1 ZINC000893318501 795378424 /nfs/dbraw/zinc/37/84/24/795378424.db2.gz UIHAWBZJLNHBKW-MRXNPFEDSA-N 1 0 372.477 1.176 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCNC(=O)C2CCC2)cc1 ZINC000759999476 810209393 /nfs/dbraw/zinc/20/93/93/810209393.db2.gz MLZYCWLHIGCQHY-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCCNC(=O)C2CCC2)cc1 ZINC000760001008 810640075 /nfs/dbraw/zinc/64/00/75/810640075.db2.gz YACOAOJSAAZJFV-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO COc1cc[nH+]c(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000272388548 814682691 /nfs/dbraw/zinc/68/26/91/814682691.db2.gz GQOMXGLOUDDLGX-HWKANZROSA-N 1 0 355.394 1.863 20 10 FDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c(O)c1C ZINC000273542941 814796553 /nfs/dbraw/zinc/79/65/53/814796553.db2.gz YSQNECHGTROLKO-IRXDYDNUSA-N 1 0 361.486 1.593 20 10 FDCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(N)=O)C1 ZINC000435808220 816191747 /nfs/dbraw/zinc/19/17/47/816191747.db2.gz IXRSWECYTUVMQU-AWEZNQCLSA-N 1 0 356.470 1.788 20 10 FDCDRO COC(=O)/C=C/c1ccc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894954468 819404816 /nfs/dbraw/zinc/40/48/16/819404816.db2.gz LHXUKNDHRUSDOO-FNORWQNLSA-N 1 0 363.414 1.674 20 10 FDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1OC ZINC000895356120 822530457 /nfs/dbraw/zinc/53/04/57/822530457.db2.gz SNQJZFQOCKUZPS-UHFFFAOYSA-N 1 0 357.350 1.476 20 10 FDCDRO CCn1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000895750731 822729186 /nfs/dbraw/zinc/72/91/86/822729186.db2.gz NAZUQOUISITJDF-KRWDZBQOSA-N 1 0 359.478 1.466 20 10 FDCDRO CON(C)C(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896055822 823981463 /nfs/dbraw/zinc/98/14/63/823981463.db2.gz VEXYPSJURVHLES-CZUORRHYSA-N 1 0 365.478 1.063 20 10 FDCDRO COC(=O)C1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896208546 824202290 /nfs/dbraw/zinc/20/22/90/824202290.db2.gz DNKNZGSDHWFNLH-DQPZFDDXSA-N 1 0 362.474 1.606 20 10 FDCDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000897046771 826815967 /nfs/dbraw/zinc/81/59/67/826815967.db2.gz QNJSRBOCJJFDOF-NSHDSACASA-N 1 0 369.259 1.618 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1O ZINC000897042765 826827034 /nfs/dbraw/zinc/82/70/34/826827034.db2.gz QFKYXABTNFRYLR-CYBMUJFWSA-N 1 0 354.834 1.517 20 10 FDCDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]1C ZINC000841722571 835226998 /nfs/dbraw/zinc/22/69/98/835226998.db2.gz OSTGBSORABPLBE-ZOBUZTSGSA-N 1 0 373.501 1.280 20 10 FDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H](C)C[NH2+]1 ZINC000841722365 835229573 /nfs/dbraw/zinc/22/95/73/835229573.db2.gz MXHWMGBVIZGFRO-INMHGKMJSA-N 1 0 373.501 1.280 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc[nH]1 ZINC000897750503 840314244 /nfs/dbraw/zinc/31/42/44/840314244.db2.gz PSHILSDXKRAAAU-HNNXBMFYSA-N 1 0 369.469 1.260 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)cc1F ZINC000841985314 840394231 /nfs/dbraw/zinc/39/42/31/840394231.db2.gz BCHGXACTKMTIKT-XJKSGUPXSA-N 1 0 350.438 1.664 20 10 FDCDRO CC(C)=CCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897951766 840624095 /nfs/dbraw/zinc/62/40/95/840624095.db2.gz XSNNJBAJTZMOEI-UHFFFAOYSA-N 1 0 358.486 1.527 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000842037073 840852471 /nfs/dbraw/zinc/85/24/71/840852471.db2.gz UZIXBLXOKSUDGC-UHFFFAOYSA-N 1 0 369.469 1.060 20 10 FDCDRO COc1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1Cn1cccn1 ZINC000898263587 840923783 /nfs/dbraw/zinc/92/37/83/840923783.db2.gz ILTKGKBFECZMPV-UHFFFAOYSA-N 1 0 353.426 1.957 20 10 FDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H](CO)C1 ZINC000898359662 840966498 /nfs/dbraw/zinc/96/64/98/840966498.db2.gz RNBDOERAWQQIFI-YPMHNXCESA-N 1 0 373.247 1.694 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000898349942 840985357 /nfs/dbraw/zinc/98/53/57/840985357.db2.gz DUGFVBLKPZLPTO-WCQYABFASA-N 1 0 373.247 1.694 20 10 FDCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c3c(nn2C)CCOC3)N(C)C)cc1 ZINC000898448476 844696338 /nfs/dbraw/zinc/69/63/38/844696338.db2.gz UFKCVFXLFQCJCS-LJQANCHMSA-N 1 0 357.502 1.951 20 10 FDCDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cccc(C)c1O)CCS2(=O)=O ZINC000898489656 844761039 /nfs/dbraw/zinc/76/10/39/844761039.db2.gz MZJYZPFXTVUCLV-SWKXRBFHSA-N 1 0 367.467 1.689 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)[C@@H](F)C2)[NH+](C)C)cc1 ZINC000899095715 845756678 /nfs/dbraw/zinc/75/66/78/845756678.db2.gz LEBBPTVKSTVVDF-YESZJQIVSA-N 1 0 352.454 1.470 20 10 FDCDRO COCCOC1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101273 845772701 /nfs/dbraw/zinc/77/27/01/845772701.db2.gz HBELEKDPTNTIFZ-SFHVURJKSA-N 1 0 364.490 1.412 20 10 FDCDRO Cc1nnc([C@@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000899104933 845778306 /nfs/dbraw/zinc/77/83/06/845778306.db2.gz SVJLSLAVKSUSDG-WBMJQRKESA-N 1 0 359.478 1.842 20 10 FDCDRO CC(C)N(C[C@H](O)CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098658 845792687 /nfs/dbraw/zinc/79/26/87/845792687.db2.gz QRPRTHCLFOGICG-ROUUACIJSA-N 1 0 366.506 1.129 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000842238230 845863584 /nfs/dbraw/zinc/86/35/84/845863584.db2.gz LFFRRGJOGLXLKD-SFHVURJKSA-N 1 0 358.486 1.404 20 10 FDCDRO Cc1nc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000156357180 862460496 /nfs/dbraw/zinc/46/04/96/862460496.db2.gz SLERVYAGWWNRBP-UHFFFAOYSA-N 1 0 355.442 1.840 20 10 FDCDRO CN1CC[N@H+](C)CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000907106103 853796871 /nfs/dbraw/zinc/79/68/71/853796871.db2.gz ZLQOSJTWMTVEIF-SFHVURJKSA-N 1 0 361.486 1.393 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911227247 858373537 /nfs/dbraw/zinc/37/35/37/858373537.db2.gz BAWQPOXQLBVXCT-OAQYLSRUSA-N 1 0 370.497 1.648 20 10 FDCDRO CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC000911665150 858877258 /nfs/dbraw/zinc/87/72/58/858877258.db2.gz AJLUUONARWZEMJ-QYZOEREBSA-N 1 0 362.518 1.758 20 10 FDCDRO Cc1cnc2c(cnn2CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911667940 858881051 /nfs/dbraw/zinc/88/10/51/858881051.db2.gz UUHHPKILDCJWPG-KRWDZBQOSA-N 1 0 352.442 1.622 20 10 FDCDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000186939930 881973076 /nfs/dbraw/zinc/97/30/76/881973076.db2.gz TXFLCEQHNDXMIY-UHFFFAOYSA-N 1 0 355.438 1.775 20 10 FDCDRO CN(Cc1cccc(=O)[nH]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924007517 882397094 /nfs/dbraw/zinc/39/70/94/882397094.db2.gz NRMRTQQQUTZKNI-UHFFFAOYSA-N 1 0 369.469 1.881 20 10 FDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CN1C1CC1 ZINC000765981592 877403744 /nfs/dbraw/zinc/40/37/44/877403744.db2.gz XBVJYOKTWKWWNZ-DOTOQJQBSA-N 1 0 363.527 1.636 20 10 FDCDRO CCOc1ccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c(O)c1 ZINC000922768305 879226344 /nfs/dbraw/zinc/22/63/44/879226344.db2.gz DMHZTOJFTYMYKZ-UHFFFAOYSA-N 1 0 371.437 1.313 20 10 FDCDRO NC(=O)c1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)nc1 ZINC000917433859 883423441 /nfs/dbraw/zinc/42/34/41/883423441.db2.gz HLODFZKEUXUXLY-UHFFFAOYSA-N 1 0 352.438 1.697 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1Cn1cccn1 ZINC000923018963 887805492 /nfs/dbraw/zinc/80/54/92/887805492.db2.gz LHHRRRQGJWRVLI-RBUKOAKNSA-N 1 0 357.454 1.960 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000186122080 902060600 /nfs/dbraw/zinc/06/06/00/902060600.db2.gz XWIJARGSAAFBBA-CABCVRRESA-N 1 0 364.490 1.787 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082952519 911125885 /nfs/dbraw/zinc/12/58/85/911125885.db2.gz AWAKWVCRSBOXLT-IUODEOHRSA-N 1 0 370.417 1.191 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)NC(C)=O)cc2F)CC1 ZINC000730192578 916302000 /nfs/dbraw/zinc/30/20/00/916302000.db2.gz HGZPECATMYSSNK-UHFFFAOYSA-N 1 0 364.465 1.499 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]([NH2+]C(C)C)C3)CC2)cc1 ZINC000731032898 917644082 /nfs/dbraw/zinc/64/40/82/917644082.db2.gz KZYFQHJAFBGRIU-GOSISDBHSA-N 1 0 374.529 1.806 20 10 FDCDRO COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000732202588 919243311 /nfs/dbraw/zinc/24/33/11/919243311.db2.gz YAJCITSDGLZOHM-MRXNPFEDSA-N 1 0 364.442 1.395 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(=O)cn2)cc1C ZINC001085313490 923764058 /nfs/dbraw/zinc/76/40/58/923764058.db2.gz ZSAUBIQVIHMDEM-HZPDHXFCSA-N 1 0 370.453 1.918 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C2CC2)cc1 ZINC000746118138 927624129 /nfs/dbraw/zinc/62/41/29/927624129.db2.gz RQRCWSOGWWLTFF-QGZVFWFLSA-N 1 0 372.513 1.654 20 10 FDCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H]1C ZINC000769910424 929732395 /nfs/dbraw/zinc/73/23/95/929732395.db2.gz KUTVBORZYOIARP-TZMCWYRMSA-N 1 0 369.487 1.709 20 10 FDCDRO CC1CC[NH+](CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000787665243 932362543 /nfs/dbraw/zinc/36/25/43/932362543.db2.gz XUTLFFSYUPWKDG-UHFFFAOYSA-N 1 0 372.513 1.533 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000787752155 932387139 /nfs/dbraw/zinc/38/71/39/932387139.db2.gz SEFGXBKXIGXIST-MRXNPFEDSA-N 1 0 360.502 1.668 20 10 FDCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C[NH+]1CCCC1 ZINC000790187986 933406000 /nfs/dbraw/zinc/40/60/00/933406000.db2.gz LYBCOBONJPXGJE-INIZCTEOSA-N 1 0 372.513 1.533 20 10 FDCDRO C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)C[NH+]1CCCC1 ZINC000790192675 933406730 /nfs/dbraw/zinc/40/67/30/933406730.db2.gz YPDLXKWTZMXNRZ-CYBMUJFWSA-N 1 0 370.544 1.590 20 10 FDCDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790620094 933644818 /nfs/dbraw/zinc/64/48/18/933644818.db2.gz VGIPSVIVUKTGAY-YJBOKZPZSA-N 1 0 354.466 1.910 20 10 FDCDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790620092 933645069 /nfs/dbraw/zinc/64/50/69/933645069.db2.gz VGIPSVIVUKTGAY-MAUKXSAKSA-N 1 0 354.466 1.910 20 10 FDCDRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000793815370 938324457 /nfs/dbraw/zinc/32/44/57/938324457.db2.gz UIWWAQGAVAYFIQ-HNNXBMFYSA-N 1 0 360.502 1.778 20 10 FDCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898028 938342336 /nfs/dbraw/zinc/34/23/36/938342336.db2.gz VHPUWHROYGHZAB-IAGOWNOFSA-N 1 0 374.529 1.948 20 10 FDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000804416298 938435399 /nfs/dbraw/zinc/43/53/99/938435399.db2.gz NMFWKSLEYABRBW-ZDUSSCGKSA-N 1 0 370.544 1.732 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000806042390 938879685 /nfs/dbraw/zinc/87/96/85/938879685.db2.gz PQEVMWKMEJSUEH-WBVHZDCISA-N 1 0 372.513 1.843 20 10 FDCDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806282303 939880945 /nfs/dbraw/zinc/88/09/45/939880945.db2.gz SWQZOLOCKNQPNU-UHFFFAOYSA-N 1 0 370.544 1.731 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000807101301 940250228 /nfs/dbraw/zinc/25/02/28/940250228.db2.gz WJVSNRYUMUAGCU-QAPCUYQASA-N 1 0 360.502 1.618 20 10 FDCDRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807288893 940303704 /nfs/dbraw/zinc/30/37/04/940303704.db2.gz BVJPFSBCCIERQX-UHFFFAOYSA-N 1 0 356.470 1.233 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000807671614 940448297 /nfs/dbraw/zinc/44/82/97/940448297.db2.gz QIGMZHMXRRBCTP-MRXNPFEDSA-N 1 0 360.502 1.874 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000807672441 940451305 /nfs/dbraw/zinc/45/13/05/940451305.db2.gz CAZMMJNSENMKGG-OAHLLOKOSA-N 1 0 360.502 1.730 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000807673009 940451665 /nfs/dbraw/zinc/45/16/65/940451665.db2.gz LLEDIBOPKPKIDZ-HNNXBMFYSA-N 1 0 360.502 1.873 20 10 FDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)c1O ZINC000808705586 940566266 /nfs/dbraw/zinc/56/62/66/940566266.db2.gz LBHHKEZODORAKC-LBPRGKRZSA-N 1 0 362.879 1.667 20 10 FDCDRO COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1C ZINC001131491720 940642569 /nfs/dbraw/zinc/64/25/69/940642569.db2.gz 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COC1([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000817297245 942681993 /nfs/dbraw/zinc/68/19/93/942681993.db2.gz PAZGLJXIXIUMEL-MRXNPFEDSA-N 1 0 363.502 1.885 20 10 FDCDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000817915551 943075873 /nfs/dbraw/zinc/07/58/73/943075873.db2.gz OATRQKFVLYCTCJ-OAHLLOKOSA-N 1 0 359.470 1.861 20 10 FDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944341 943090658 /nfs/dbraw/zinc/09/06/58/943090658.db2.gz ZLVKJKHRBXKXFC-SCLBCKFNSA-N 1 0 362.499 1.751 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000817993810 943127573 /nfs/dbraw/zinc/12/75/73/943127573.db2.gz DTQGTJOUSNPSTN-MSOLQXFVSA-N 1 0 372.513 1.844 20 10 FDCDRO COc1ccc(N2CCN(C(=O)COc3cccc(C[NH3+])c3)CC2)cc1 ZINC000818617720 943305339 /nfs/dbraw/zinc/30/53/39/943305339.db2.gz HLCHMLMQUHRBJQ-UHFFFAOYSA-N 1 0 355.438 1.882 20 10 FDCDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000818652933 943317874 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CCOCc1cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)ccc1OC ZINC001201449406 975065691 /nfs/dbraw/zinc/06/56/91/975065691.db2.gz CVKZBXGGURDAIV-MRXNPFEDSA-N 1 0 356.488 1.745 20 10 FDCDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001201842906 975174474 /nfs/dbraw/zinc/17/44/74/975174474.db2.gz SAONJBLYXZENQB-UHFFFAOYSA-N 1 0 350.843 1.946 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000866457651 975673644 /nfs/dbraw/zinc/67/36/44/975673644.db2.gz RVOHZTYDGPQGAK-CYBMUJFWSA-N 1 0 359.467 1.252 20 10 FDCDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000866573328 975800660 /nfs/dbraw/zinc/80/06/60/975800660.db2.gz JXEXSCJEBYRZRL-CYBMUJFWSA-N 1 0 373.494 1.628 20 10 FDCDRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000867464108 976190651 /nfs/dbraw/zinc/19/06/51/976190651.db2.gz XWTFEPUXKZOPGI-UHFFFAOYSA-N 1 0 361.895 1.103 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000848429246 976730595 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1.916 20 10 FDCDRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156899046 671961622 /nfs/dbraw/zinc/96/16/22/671961622.db2.gz XGBAFZOKCAGXDP-UHFFFAOYSA-N 1 0 369.531 1.925 20 10 FDCDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180526752 672179817 /nfs/dbraw/zinc/17/98/17/672179817.db2.gz AEXJVFDCIMHAOO-UHFFFAOYSA-N 1 0 369.374 1.508 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCOC)cc2F)CC1 ZINC000264401271 672912620 /nfs/dbraw/zinc/91/26/20/672912620.db2.gz ZMLTYWHJEHOYEH-UHFFFAOYSA-N 1 0 352.454 1.755 20 10 FDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266509103 673134783 /nfs/dbraw/zinc/13/47/83/673134783.db2.gz ZRUIFOACZLNWJI-ZDUSSCGKSA-N 1 0 355.460 1.320 20 10 FDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267089818 673248608 /nfs/dbraw/zinc/24/86/08/673248608.db2.gz DLTZVUSYMMOGMS-LBPRGKRZSA-N 1 0 355.460 1.178 20 10 FDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331473 676417702 /nfs/dbraw/zinc/41/77/02/676417702.db2.gz HIIXNSVZFKTTGP-DZGCQCFKSA-N 1 0 373.494 1.641 20 10 FDCDRO C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000298944187 676506253 /nfs/dbraw/zinc/50/62/53/676506253.db2.gz KEODJTLJXGZVMK-UHFFFAOYSA-N 1 0 350.438 1.509 20 10 FDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)nn1 ZINC000371881407 677798692 /nfs/dbraw/zinc/79/86/92/677798692.db2.gz HRXZCJYLTBDXTC-GFCCVEGCSA-N 1 0 366.805 1.879 20 10 FDCDRO Cc1occc(=O)c1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242384 774038389 /nfs/dbraw/zinc/03/83/89/774038389.db2.gz FXOGSARBYUAIIJ-KRWDZBQOSA-N 1 0 373.453 1.812 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3n(n2)CCCO3)[NH+](C)C)cc1 ZINC000891246720 774086249 /nfs/dbraw/zinc/08/62/49/774086249.db2.gz CJWMXFNQIRGFSR-KRWDZBQOSA-N 1 0 357.458 1.764 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)[NH+](C)C)cc1 ZINC000891249428 774107352 /nfs/dbraw/zinc/10/73/52/774107352.db2.gz QVSBGGNUAHHDDZ-FUHWJXTLSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)[NH+](C)C)cc1 ZINC000891251073 774128855 /nfs/dbraw/zinc/12/88/55/774128855.db2.gz CZAJURQGTMRBAA-RGPMPMONSA-N 1 0 373.497 1.713 20 10 FDCDRO CC(=O)N1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891251682 774135561 /nfs/dbraw/zinc/13/55/61/774135561.db2.gz DUMYZAKEIUVQSC-LJQANCHMSA-N 1 0 360.502 1.730 20 10 FDCDRO CC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CCCC1=O ZINC000891254181 774150129 /nfs/dbraw/zinc/15/01/29/774150129.db2.gz XBHGEHQXGNCUPB-ROUUACIJSA-N 1 0 360.502 1.873 20 10 FDCDRO CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254986 774151944 /nfs/dbraw/zinc/15/19/44/774151944.db2.gz LRYBNFMEVTUFKF-RBUKOAKNSA-N 1 0 360.502 1.873 20 10 FDCDRO Cc1nn(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000891255226 774158818 /nfs/dbraw/zinc/15/88/18/774158818.db2.gz NVKCEKKWJOAEOU-HNNXBMFYSA-N 1 0 374.445 1.735 20 10 FDCDRO COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891256267 774163434 /nfs/dbraw/zinc/16/34/34/774163434.db2.gz WSQCFQOBJUFOGH-SFHVURJKSA-N 1 0 370.453 1.967 20 10 FDCDRO Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)cn1 ZINC000376696320 790336891 /nfs/dbraw/zinc/33/68/91/790336891.db2.gz XVKHXBHNEZMARC-JKSUJKDBSA-N 1 0 357.433 1.389 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000891396206 776806288 /nfs/dbraw/zinc/80/62/88/776806288.db2.gz FSXRAVXTQRFKLO-ZACQAIPSSA-N 1 0 371.485 1.034 20 10 FDCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891781663 779380123 /nfs/dbraw/zinc/38/01/23/779380123.db2.gz LBMJIFZVLVGTOE-ZFWWWQNUSA-N 1 0 366.458 1.773 20 10 FDCDRO C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000892108242 781548232 /nfs/dbraw/zinc/54/82/32/781548232.db2.gz QNELSBOSJKGECI-FZMZJTMJSA-N 1 0 360.380 1.589 20 10 FDCDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000177452027 785569870 /nfs/dbraw/zinc/56/98/70/785569870.db2.gz BCVCFADMLHZHBZ-UHFFFAOYSA-N 1 0 360.502 1.885 20 10 FDCDRO COc1cc(O)c(CN2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1OC ZINC000782888985 788480874 /nfs/dbraw/zinc/48/08/74/788480874.db2.gz ZMSYDFFFWJXXJI-OAHLLOKOSA-N 1 0 363.458 1.987 20 10 FDCDRO COc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c(O)c1OC ZINC000892851468 791454411 /nfs/dbraw/zinc/45/44/11/791454411.db2.gz PUORKNLZYCQVPW-UHFFFAOYSA-N 1 0 358.460 1.171 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cc1F ZINC000892912608 791642465 /nfs/dbraw/zinc/64/24/65/791642465.db2.gz WADAWDJECQOPOA-UHFFFAOYSA-N 1 0 366.481 1.928 20 10 FDCDRO CCCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000892940176 791819949 /nfs/dbraw/zinc/81/99/49/791819949.db2.gz SNEYQBSQNATEJU-LJQANCHMSA-N 1 0 359.518 1.722 20 10 FDCDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000378343156 793984764 /nfs/dbraw/zinc/98/47/64/793984764.db2.gz RPSUACNSADPOAM-GOSISDBHSA-N 1 0 373.453 1.044 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]cn3)cc2F)CC1 ZINC000193183207 795823712 /nfs/dbraw/zinc/82/37/12/795823712.db2.gz NVYWDFQESGKBID-UHFFFAOYSA-N 1 0 359.449 1.940 20 10 FDCDRO CCc1c(NC(=O)C2=S=C3CC[NH2+]CC3=C2)n[nH]c1-c1ccncc1 ZINC000662414673 806528706 /nfs/dbraw/zinc/52/87/06/806528706.db2.gz WGKOWLIBGBDOES-UHFFFAOYSA-N 1 0 353.451 1.984 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278996473 808031753 /nfs/dbraw/zinc/03/17/53/808031753.db2.gz LRHXFQKZMGKIGQ-AWEZNQCLSA-N 1 0 373.432 1.392 20 10 FDCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC)c(OC)c3O)C[C@H]1COCC2 ZINC000894174758 810818390 /nfs/dbraw/zinc/81/83/90/810818390.db2.gz NOFCKMSJFDVJOA-SCLBCKFNSA-N 1 0 351.399 1.421 20 10 FDCDRO CO[C@]1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1 ZINC000894226947 811499939 /nfs/dbraw/zinc/49/99/39/811499939.db2.gz OYBDEAPERHHXGG-MJGOQNOKSA-N 1 0 364.490 1.460 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419704921 812095873 /nfs/dbraw/zinc/09/58/73/812095873.db2.gz HWTLQQDKJSVXGI-FQEVSTJZSA-N 1 0 354.454 1.315 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419712479 812127104 /nfs/dbraw/zinc/12/71/04/812127104.db2.gz UGTCDSZAAYUDJV-UHFFFAOYSA-N 1 0 368.481 1.705 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(=O)N(C)C)C1 ZINC000436028712 816302389 /nfs/dbraw/zinc/30/23/89/816302389.db2.gz DBMWKIARDSLPGI-UHFFFAOYSA-N 1 0 370.497 1.954 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC000895259776 822323809 /nfs/dbraw/zinc/32/38/09/822323809.db2.gz FYZBXZIIWASXGN-ZMSDIMECSA-N 1 0 361.490 1.309 20 10 FDCDRO COC(=O)N(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895826200 822754130 /nfs/dbraw/zinc/75/41/30/822754130.db2.gz XNDXXJYDXPUQHD-INIZCTEOSA-N 1 0 365.478 1.353 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3C3CC3)cc2)CC1 ZINC000896444892 824417995 /nfs/dbraw/zinc/41/79/95/824417995.db2.gz QBSZXTPDLFESHR-RTBURBONSA-N 1 0 358.486 1.663 20 10 FDCDRO COC(=O)[C@@H](F)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896538391 824527341 /nfs/dbraw/zinc/52/73/41/824527341.db2.gz QVEMFBRAWPSARY-LSDHHAIUSA-N 1 0 354.426 1.166 20 10 FDCDRO CN(C)C(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000897525434 836524182 /nfs/dbraw/zinc/52/41/82/836524182.db2.gz NTHFOYXAFMLLNV-KRWDZBQOSA-N 1 0 356.474 1.959 20 10 FDCDRO O=C(NCc1cccc(Br)c1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897576684 839712333 /nfs/dbraw/zinc/71/23/33/839712333.db2.gz MCLURZHDEMKBRD-GFCCVEGCSA-N 1 0 355.232 1.492 20 10 FDCDRO COc1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1Cn1cccn1 ZINC000898325289 840945690 /nfs/dbraw/zinc/94/56/90/840945690.db2.gz GBYQNAPGPMDITG-UHFFFAOYSA-N 1 0 369.425 1.382 20 10 FDCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(O)ccc4ccncc43)C2)nn1 ZINC000760532778 842241341 /nfs/dbraw/zinc/24/13/41/842241341.db2.gz KVAHNGQJLCPNAF-ZDUSSCGKSA-N 1 0 353.382 1.766 20 10 FDCDRO CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Br)ccc1O ZINC000927022527 843304138 /nfs/dbraw/zinc/30/41/38/843304138.db2.gz DZZHYLRTJUFBHO-ZYHUDNBSSA-N 1 0 366.277 1.601 20 10 FDCDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000842149114 844994727 /nfs/dbraw/zinc/99/47/27/844994727.db2.gz WBTOALOTAHUCJA-ZDUSSCGKSA-N 1 0 372.444 1.844 20 10 FDCDRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1[NH3+] ZINC000842170488 845238949 /nfs/dbraw/zinc/23/89/49/845238949.db2.gz HAXWMDQYMHYPBT-FUHWJXTLSA-N 1 0 356.470 1.265 20 10 FDCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCCCCC1 ZINC000842171516 845278051 /nfs/dbraw/zinc/27/80/51/845278051.db2.gz UDJHBRWLKYKNMC-UHFFFAOYSA-N 1 0 370.497 1.847 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCC[NH2+]C ZINC000842224271 845737950 /nfs/dbraw/zinc/73/79/50/845737950.db2.gz KRLHAAUDTRFJIK-UHFFFAOYSA-N 1 0 372.263 1.229 20 10 FDCDRO COC[C@H]1COCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095947 845756317 /nfs/dbraw/zinc/75/63/17/845756317.db2.gz NRZQFLIINNJQJY-ZWKOTPCHSA-N 1 0 364.490 1.412 20 10 FDCDRO COCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101392 845773696 /nfs/dbraw/zinc/77/36/96/845773696.db2.gz HNVJYCNFIQFIGK-RDJZCZTQSA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccnn2C)[NH+](C)C)cc1 ZINC000899098059 845790618 /nfs/dbraw/zinc/79/06/18/845790618.db2.gz LFJIMDLVNKUIQG-SJLPKXTDSA-N 1 0 374.489 1.122 20 10 FDCDRO CC(=O)N[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899098825 845792732 /nfs/dbraw/zinc/79/27/32/845792732.db2.gz SRLJXPCSQPIKLT-SJLPKXTDSA-N 1 0 361.490 1.275 20 10 FDCDRO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000899211040 845945107 /nfs/dbraw/zinc/94/51/07/845945107.db2.gz HWHOUXWYHWWNBB-UHFFFAOYSA-N 1 0 355.486 1.995 20 10 FDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899472798 846276653 /nfs/dbraw/zinc/27/66/53/846276653.db2.gz JYLAVMSKGICMJE-IBGZPJMESA-N 1 0 372.513 1.879 20 10 FDCDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000905286257 851818558 /nfs/dbraw/zinc/81/85/58/851818558.db2.gz ZECQVILZTCNILM-HNNXBMFYSA-N 1 0 370.440 1.947 20 10 FDCDRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000905335819 851869297 /nfs/dbraw/zinc/86/92/97/851869297.db2.gz SARLJKLEUIOJGS-OAHLLOKOSA-N 1 0 367.515 1.503 20 10 FDCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)N(C)C)cc1 ZINC000905706293 852193465 /nfs/dbraw/zinc/19/34/65/852193465.db2.gz SOKDHFYMYPQCKW-AZUAARDMSA-N 1 0 365.518 1.501 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCOCC1 ZINC000156356938 862460433 /nfs/dbraw/zinc/46/04/33/862460433.db2.gz AQLHOAPAGUSZBJ-UHFFFAOYSA-N 1 0 358.486 1.760 20 10 FDCDRO Cc1c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000908460462 855445409 /nfs/dbraw/zinc/44/54/09/855445409.db2.gz UMLSXNROGIGACL-MRXNPFEDSA-N 1 0 365.503 1.376 20 10 FDCDRO Cc1cnn(C)c1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460201 855445629 /nfs/dbraw/zinc/44/56/29/855445629.db2.gz OQSKRCXRQPMVGZ-MRXNPFEDSA-N 1 0 365.503 1.376 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccnc2F)[NH+](C)C)cc1 ZINC000908460752 855446536 /nfs/dbraw/zinc/44/65/36/855446536.db2.gz YXVRHHMOPINBQW-OAHLLOKOSA-N 1 0 366.462 1.868 20 10 FDCDRO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460730 855446854 /nfs/dbraw/zinc/44/68/54/855446854.db2.gz YMIMFRWKGIPIJB-IAOVAPTHSA-N 1 0 355.504 1.452 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911050484 858043290 /nfs/dbraw/zinc/04/32/90/858043290.db2.gz WRTNANZTFJZBIO-JFIYKMOQSA-N 1 0 374.529 1.552 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911050409 858043387 /nfs/dbraw/zinc/04/33/87/858043387.db2.gz VYDZEOIXLPDPCT-HLLBOEOZSA-N 1 0 360.502 1.161 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911050424 858043580 /nfs/dbraw/zinc/04/35/80/858043580.db2.gz WACFSOBMSWEDCK-INMHGKMJSA-N 1 0 360.502 1.352 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1F ZINC000911111276 858162894 /nfs/dbraw/zinc/16/28/94/858162894.db2.gz DKAFAEUCDFZVMB-LJQANCHMSA-N 1 0 362.449 1.253 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911124921 858179644 /nfs/dbraw/zinc/17/96/44/858179644.db2.gz MQILTEIRTOEFAA-OXQOHEQNSA-N 1 0 358.486 1.407 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N(C)C)cc1 ZINC000911225537 858370724 /nfs/dbraw/zinc/37/07/24/858370724.db2.gz HBYXLLNYPRLCRY-MJXNMMHHSA-N 1 0 366.465 1.671 20 10 FDCDRO CNC(=O)Nc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911668562 858881563 /nfs/dbraw/zinc/88/15/63/858881563.db2.gz ZXIXFAPRINTMJY-KRWDZBQOSA-N 1 0 355.442 1.934 20 10 FDCDRO CNC(=O)CCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000157187903 863175449 /nfs/dbraw/zinc/17/54/49/863175449.db2.gz DXLCJPFCGLDYIV-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 ZINC000760809817 863277007 /nfs/dbraw/zinc/27/70/07/863277007.db2.gz RGJYHPLLDOMZDH-KRWDZBQOSA-N 1 0 352.500 1.780 20 10 FDCDRO COc1cc(I)cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235998808 882338975 /nfs/dbraw/zinc/33/89/75/882338975.db2.gz ZWJDQFDDJBGNKV-IINYFYTJSA-N 1 0 374.222 1.929 20 10 FDCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000761498745 871361894 /nfs/dbraw/zinc/36/18/94/871361894.db2.gz GUFLICVHTRBWRF-LBPRGKRZSA-N 1 0 366.849 1.379 20 10 FDCDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000914242493 871993866 /nfs/dbraw/zinc/99/38/66/871993866.db2.gz LRYFRGCSCAMQAM-GUYCJALGSA-N 1 0 364.465 1.679 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000914291323 872241970 /nfs/dbraw/zinc/24/19/70/872241970.db2.gz JSRPWXXPBRTNNM-KYJSFNMBSA-N 1 0 373.501 1.280 20 10 FDCDRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000762359396 875807324 /nfs/dbraw/zinc/80/73/24/875807324.db2.gz NJCSJBXXQZEVSV-ROUUACIJSA-N 1 0 364.559 1.688 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]2C)cc1C ZINC001106527405 875847639 /nfs/dbraw/zinc/84/76/39/875847639.db2.gz SRZOUOJRTGLRPD-ZMSDIMECSA-N 1 0 361.486 1.699 20 10 FDCDRO c1nnc2ccc(N3CC[C@H]([NH2+]Cc4ccc5c(c4)CCCO5)C3)nn12 ZINC000922285216 877303688 /nfs/dbraw/zinc/30/36/88/877303688.db2.gz XPTAFRPIWDLBEH-INIZCTEOSA-N 1 0 350.426 1.818 20 10 FDCDRO Cn1nc2c(c1C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000918906429 885005499 /nfs/dbraw/zinc/00/54/99/885005499.db2.gz OQDJJDSAIKITIN-UHFFFAOYSA-N 1 0 353.470 1.591 20 10 FDCDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)CC1 ZINC000918906846 885009997 /nfs/dbraw/zinc/00/99/97/885009997.db2.gz ROEUWQNTKLYFFX-ZDUSSCGKSA-N 1 0 350.438 1.499 20 10 FDCDRO Cn1ccnc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)c1=O ZINC000922019037 894322061 /nfs/dbraw/zinc/32/20/61/894322061.db2.gz BSDFIWRJSKPXDS-QGZVFWFLSA-N 1 0 354.454 1.864 20 10 FDCDRO C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253495 898533673 /nfs/dbraw/zinc/53/36/73/898533673.db2.gz DFHAYDPHVSTRQK-ZLKJLUDKSA-N 1 0 351.382 1.372 20 10 FDCDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000764286004 904208858 /nfs/dbraw/zinc/20/88/58/904208858.db2.gz AMRNVMPGCHIONA-GOSISDBHSA-N 1 0 355.438 1.904 20 10 FDCDRO COc1cccc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1O ZINC000265595813 908825838 /nfs/dbraw/zinc/82/58/38/908825838.db2.gz SSBGUXGTZONCBR-UHFFFAOYSA-N 1 0 371.437 1.760 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cnnn2)cc1C ZINC001085128692 921625751 /nfs/dbraw/zinc/62/57/51/921625751.db2.gz DVYHVYFYODYVFG-HZPDHXFCSA-N 1 0 358.446 1.207 20 10 FDCDRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000731843022 918715145 /nfs/dbraw/zinc/71/51/45/918715145.db2.gz NCVQUNBEKALJTF-UHFFFAOYSA-N 1 0 363.439 1.500 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000732253913 919265485 /nfs/dbraw/zinc/26/54/85/919265485.db2.gz PJVZEZGQLDZPGY-LJQANCHMSA-N 1 0 361.534 1.920 20 10 FDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000733300695 920938895 /nfs/dbraw/zinc/93/88/95/920938895.db2.gz MNVJNLLLYPAWQT-CQSZACIVSA-N 1 0 356.488 1.909 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccn2)cc1C ZINC001085212701 922800672 /nfs/dbraw/zinc/80/06/72/922800672.db2.gz KPSYSAUMGACWAL-IAGOWNOFSA-N 1 0 357.458 1.812 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)cc1 ZINC000824678999 923107447 /nfs/dbraw/zinc/10/74/47/923107447.db2.gz NYGOUFODVHMNOO-UHFFFAOYSA-N 1 0 357.458 1.416 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000738317218 925156081 /nfs/dbraw/zinc/15/60/81/925156081.db2.gz JDTGBNQXTCYTIY-HXUWFJFHSA-N 1 0 374.529 1.556 20 10 FDCDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254887 925399418 /nfs/dbraw/zinc/39/94/18/925399418.db2.gz UAUSLHAHVIHCOJ-QZTJIDSGSA-N 1 0 374.529 1.758 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000787321795 932261752 /nfs/dbraw/zinc/26/17/52/932261752.db2.gz KDGAAYRKZYFCNQ-IAGOWNOFSA-N 1 0 372.513 1.844 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000788568804 932741727 /nfs/dbraw/zinc/74/17/27/932741727.db2.gz DGANVLUQGQNHHD-ROUUACIJSA-N 1 0 370.497 1.428 20 10 FDCDRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788934611 932896545 /nfs/dbraw/zinc/89/65/45/932896545.db2.gz WPDUFZVLSKGSDA-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C[NH+]1CCCC1 ZINC000790187991 933406034 /nfs/dbraw/zinc/40/60/34/933406034.db2.gz LYBCOBONJPXGJE-MRXNPFEDSA-N 1 0 372.513 1.533 20 10 FDCDRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000790184747 933421624 /nfs/dbraw/zinc/42/16/24/933421624.db2.gz AKLQJOYVWYHLCP-CVEARBPZSA-N 1 0 360.502 1.778 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000807099575 940249484 /nfs/dbraw/zinc/24/94/84/940249484.db2.gz ZTVGDYPEUUUVBS-MJGOQNOKSA-N 1 0 372.513 1.620 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)cc1C ZINC001086649106 940282910 /nfs/dbraw/zinc/28/29/10/940282910.db2.gz JWSCMUGNVGOWAS-YQVWRLOYSA-N 1 0 362.470 1.794 20 10 FDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814170960 941574886 /nfs/dbraw/zinc/57/48/86/941574886.db2.gz FKNHLGCQOSTLLZ-OAHLLOKOSA-N 1 0 371.478 1.128 20 10 FDCDRO CNC(=O)NCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835557 941982635 /nfs/dbraw/zinc/98/26/35/941982635.db2.gz XKXGLGGSZCMIFJ-AWEZNQCLSA-N 1 0 368.865 1.445 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000817811689 942965789 /nfs/dbraw/zinc/96/57/89/942965789.db2.gz OEGLROUFYVMZHL-OAHLLOKOSA-N 1 0 364.465 1.449 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000817810832 942965926 /nfs/dbraw/zinc/96/59/26/942965926.db2.gz AFLMJGQFNKSQTO-MRXNPFEDSA-N 1 0 372.513 1.533 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cc2)C1 ZINC000817889886 943045317 /nfs/dbraw/zinc/04/53/17/943045317.db2.gz QCGGFQNJRRHKTC-HOJAQTOUSA-N 1 0 372.513 1.245 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000817861452 943049962 /nfs/dbraw/zinc/04/99/62/943049962.db2.gz HXBBAXXJHSTOFL-INIZCTEOSA-N 1 0 374.529 1.661 20 10 FDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894758 943068337 /nfs/dbraw/zinc/06/83/37/943068337.db2.gz OAKRTBRAGVIQKV-WMZOPIPTSA-N 1 0 365.449 1.170 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817929292 943068944 /nfs/dbraw/zinc/06/89/44/943068944.db2.gz FUJADXZLMGUHIP-HKUYNNGSSA-N 1 0 372.513 1.700 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C[C@@H]3COCCN3)CC2)cc1 ZINC000817895361 943069009 /nfs/dbraw/zinc/06/90/09/943069009.db2.gz UECAQIOLJBAMJV-ZWKOTPCHSA-N 1 0 362.518 1.174 20 10 FDCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000817916129 943075855 /nfs/dbraw/zinc/07/58/55/943075855.db2.gz VIEUUDCOANIFDR-MRXNPFEDSA-N 1 0 359.470 1.874 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000817917738 943076393 /nfs/dbraw/zinc/07/63/93/943076393.db2.gz DXZDJEOJEWYVKO-RDJZCZTQSA-N 1 0 360.502 1.687 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000817919401 943077939 /nfs/dbraw/zinc/07/79/39/943077939.db2.gz RXYVWUZTFFRRLJ-QGZVFWFLSA-N 1 0 360.502 1.559 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000817919164 943078006 /nfs/dbraw/zinc/07/80/06/943078006.db2.gz QJRWENYOYZQUCN-UHFFFAOYSA-N 1 0 372.513 1.703 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000817920619 943078198 /nfs/dbraw/zinc/07/81/98/943078198.db2.gz RAEGCBZKHCNWFR-KRWDZBQOSA-N 1 0 358.486 1.443 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000817920600 943078208 /nfs/dbraw/zinc/07/82/08/943078208.db2.gz QOUKTWNKYMLPNI-NRFANRHFSA-N 1 0 372.513 1.833 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000817921701 943078717 /nfs/dbraw/zinc/07/87/17/943078717.db2.gz HNCLGEPBVBTNFV-QAPCUYQASA-N 1 0 360.502 1.687 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817920122 943078960 /nfs/dbraw/zinc/07/89/60/943078960.db2.gz BFRNMISVHGDPAB-SFHVURJKSA-N 1 0 372.513 1.833 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000817921981 943079518 /nfs/dbraw/zinc/07/95/18/943079518.db2.gz MINKELKAMOTASB-WMZOPIPTSA-N 1 0 374.529 1.935 20 10 FDCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926251 943082691 /nfs/dbraw/zinc/08/26/91/943082691.db2.gz CACCQSFOHOHFCF-RDJZCZTQSA-N 1 0 372.513 1.829 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000817974691 943111500 /nfs/dbraw/zinc/11/15/00/943111500.db2.gz NQTPMOBXHKYUGB-YOEHRIQHSA-N 1 0 363.458 1.096 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817975870 943112397 /nfs/dbraw/zinc/11/23/97/943112397.db2.gz YZXACGPDLRDUQQ-RDJZCZTQSA-N 1 0 359.470 1.731 20 10 FDCDRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997250 943377670 /nfs/dbraw/zinc/37/76/70/943377670.db2.gz VRMKSQHTDRSBKY-HNNXBMFYSA-N 1 0 352.390 1.368 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(F)cn3)cc2)C1 ZINC000818967980 943385867 /nfs/dbraw/zinc/38/58/67/943385867.db2.gz HFNWBBJEBJXCJT-KXBFYZLASA-N 1 0 372.444 1.746 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@]3(C)CCCO3)CC2)cc1 ZINC000819146290 943439991 /nfs/dbraw/zinc/43/99/91/943439991.db2.gz TWEGNJYORUUAEF-UYAOXDASSA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000819149521 943442128 /nfs/dbraw/zinc/44/21/28/943442128.db2.gz KOKKIFRPBBHBAP-PKOBYXMFSA-N 1 0 365.543 1.663 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819166369 943457048 /nfs/dbraw/zinc/45/70/48/943457048.db2.gz VJQZTFUYGNHMGE-KRWDZBQOSA-N 1 0 373.453 1.800 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3(SC)CC3)CC2)cc1 ZINC000819272461 943522121 /nfs/dbraw/zinc/52/21/21/943522121.db2.gz WDDQFXAWNWWDDF-KRWDZBQOSA-N 1 0 365.543 1.663 20 10 FDCDRO COCC(C)(C)C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819328826 943528672 /nfs/dbraw/zinc/52/86/72/943528672.db2.gz PHDLRFXDOUQERS-SFHVURJKSA-N 1 0 365.518 1.440 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000819584369 943634675 /nfs/dbraw/zinc/63/46/75/943634675.db2.gz IFFXMIHKWCSWFM-GOSISDBHSA-N 1 0 374.529 1.665 20 10 FDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)O1 ZINC000823850397 946046393 /nfs/dbraw/zinc/04/63/93/946046393.db2.gz BJBSXHZQUFZYCM-SCAQPMJSSA-N 1 0 352.500 1.967 20 10 FDCDRO O=C(NCCO)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824560683 946537208 /nfs/dbraw/zinc/53/72/08/946537208.db2.gz JVQDBFZYJMENQJ-UHFFFAOYSA-N 1 0 357.248 1.475 20 10 FDCDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccccc1O ZINC000825284701 947109116 /nfs/dbraw/zinc/10/91/16/947109116.db2.gz YWWAUHVBTSPTEF-UHFFFAOYSA-N 1 0 354.403 1.690 20 10 FDCDRO O=C([C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N1CCc2cccc(O)c2C1 ZINC001143672006 947442364 /nfs/dbraw/zinc/44/23/64/947442364.db2.gz WWWZFEOOXFFMQN-WOJBJXKFSA-N 1 0 352.434 1.912 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](CO)C3)CC2)cc1 ZINC000856791171 971394262 /nfs/dbraw/zinc/39/42/62/971394262.db2.gz SJQZTKKPIYUOBN-DLBZAZTESA-N 1 0 361.486 1.294 20 10 FDCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000844192445 947831439 /nfs/dbraw/zinc/83/14/39/947831439.db2.gz RXCPDMQMFZKLMZ-UHFFFAOYSA-N 1 0 372.448 1.168 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000844217389 947845393 /nfs/dbraw/zinc/84/53/93/947845393.db2.gz GTNVRBKOWZLNAT-APWZRJJASA-N 1 0 360.502 1.546 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C)[C@H]3C[NH3+])CC2)cc1 ZINC000844220614 947850852 /nfs/dbraw/zinc/85/08/52/947850852.db2.gz ZDHOXMMGPRIDGK-VQIMIIECSA-N 1 0 360.502 1.403 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C3CC3)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221685 947851926 /nfs/dbraw/zinc/85/19/26/947851926.db2.gz SFRDQJGJJKIXDT-SFHVURJKSA-N 1 0 358.486 1.170 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844224495 947858402 /nfs/dbraw/zinc/85/84/02/947858402.db2.gz FXXTUBUSIKSODS-KRWDZBQOSA-N 1 0 360.502 1.056 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000844400311 948029637 /nfs/dbraw/zinc/02/96/37/948029637.db2.gz AASNGYYKAVBDTM-UHFFFAOYSA-N 1 0 374.485 1.928 20 10 FDCDRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144508532 949738616 /nfs/dbraw/zinc/73/86/16/949738616.db2.gz PQIOUYRLPNOOAA-KGLIPLIRSA-N 1 0 361.423 1.749 20 10 FDCDRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4c(O)cc(O)cc4O)C3)C2=O)cn1 ZINC001144508617 949754749 /nfs/dbraw/zinc/75/47/49/949754749.db2.gz SESHFXMZRIMEMK-IBGZPJMESA-N 1 0 372.425 1.556 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c(O)c1 ZINC001144508814 949780230 /nfs/dbraw/zinc/78/02/30/949780230.db2.gz ZFOXJRBLIDXRLS-UHFFFAOYSA-N 1 0 355.398 1.651 20 10 FDCDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509719 949786280 /nfs/dbraw/zinc/78/62/80/949786280.db2.gz JGFXWLVHCXGXIW-OXQOHEQNSA-N 1 0 354.406 1.909 20 10 FDCDRO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)cc1 ZINC001144516453 949807682 /nfs/dbraw/zinc/80/76/82/949807682.db2.gz YQHVKLDPCBVQEB-OAHLLOKOSA-N 1 0 358.394 1.946 20 10 FDCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc2ccccn12 ZINC000846107748 950506255 /nfs/dbraw/zinc/50/62/55/950506255.db2.gz JZMDEAUFECALJB-UHFFFAOYSA-N 1 0 350.422 1.821 20 10 FDCDRO COCCOCCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000846117066 950512887 /nfs/dbraw/zinc/51/28/87/950512887.db2.gz MKBRMWJMRKDDTL-UHFFFAOYSA-N 1 0 354.447 1.190 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000846177963 950652632 /nfs/dbraw/zinc/65/26/32/950652632.db2.gz GHHSXWQWJAOZHI-KRWDZBQOSA-N 1 0 350.463 1.151 20 10 FDCDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000846673540 951437650 /nfs/dbraw/zinc/43/76/50/951437650.db2.gz VKDVUEFEFUIDAR-DOTOQJQBSA-N 1 0 365.499 1.055 20 10 FDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000846677746 951441804 /nfs/dbraw/zinc/44/18/04/951441804.db2.gz SFNHKWRNWICEKO-MOPGFXCFSA-N 1 0 362.518 1.539 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846680903 951444009 /nfs/dbraw/zinc/44/40/09/951444009.db2.gz FSYURDSZAOHFKM-PMACEKPBSA-N 1 0 370.497 1.502 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1F ZINC000846726917 951497867 /nfs/dbraw/zinc/49/78/67/951497867.db2.gz LDJBNXQSACJWAW-UHFFFAOYSA-N 1 0 364.465 1.452 20 10 FDCDRO O=C(c1cccc(O)c1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001148214058 952648280 /nfs/dbraw/zinc/64/82/80/952648280.db2.gz NYEGZVAYIMAJEE-UHFFFAOYSA-N 1 0 353.378 1.568 20 10 FDCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000775253944 966986086 /nfs/dbraw/zinc/98/60/86/966986086.db2.gz CSUCXJPYJUORNC-INIZCTEOSA-N 1 0 371.485 1.566 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852182040 967063936 /nfs/dbraw/zinc/06/39/36/967063936.db2.gz JRFWZIMTYUSPAG-KRWDZBQOSA-N 1 0 372.513 1.931 20 10 FDCDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852188914 967074439 /nfs/dbraw/zinc/07/44/39/967074439.db2.gz QTTXGKAHBKDUGM-QGZVFWFLSA-N 1 0 360.502 1.789 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1 ZINC000852790886 967609262 /nfs/dbraw/zinc/60/92/62/967609262.db2.gz CABUBRPJEQTJJS-GHTZIAJQSA-N 1 0 366.465 1.327 20 10 FDCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844103 967650406 /nfs/dbraw/zinc/65/04/06/967650406.db2.gz QFSYLNQMYCDHBX-NQYLQCIDSA-N 1 0 361.486 1.923 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852868644 967674306 /nfs/dbraw/zinc/67/43/06/967674306.db2.gz KXNXMBUUKQGFLJ-HNNXBMFYSA-N 1 0 369.469 1.378 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)cc1 ZINC000852899634 967695038 /nfs/dbraw/zinc/69/50/38/967695038.db2.gz AYVHMZWJCDNSDC-WBMJQRKESA-N 1 0 357.376 1.932 20 10 FDCDRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370888 967696044 /nfs/dbraw/zinc/69/60/44/967696044.db2.gz XFZYBWOMVBVHDM-NVGCLXPQSA-N 1 0 352.431 1.755 20 10 FDCDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369953 967714938 /nfs/dbraw/zinc/71/49/38/967714938.db2.gz JGNVCPWQRZVTNR-SWLSCSKDSA-N 1 0 352.431 1.755 20 10 FDCDRO Nc1ccc(CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000852930036 967717938 /nfs/dbraw/zinc/71/79/38/967717938.db2.gz DROHSCUURKXFQT-MRXNPFEDSA-N 1 0 368.485 1.350 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376160 967756043 /nfs/dbraw/zinc/75/60/43/967756043.db2.gz OVZRCMTZWXVRMU-CVEARBPZSA-N 1 0 365.499 1.055 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853097441 967829721 /nfs/dbraw/zinc/82/97/21/967829721.db2.gz AZJDWCZXRPBVHZ-LPHOPBHVSA-N 1 0 354.454 1.607 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCCc3ccco3)CC2)cc1 ZINC000853123070 967845903 /nfs/dbraw/zinc/84/59/03/967845903.db2.gz UPLWJWKJNPUSKD-LJQANCHMSA-N 1 0 373.497 1.994 20 10 FDCDRO COc1ccc(N2CCN(CCNc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853234655 967935440 /nfs/dbraw/zinc/93/54/40/967935440.db2.gz HSOKGDDMPGQCNP-UHFFFAOYSA-N 1 0 373.413 1.938 20 10 FDCDRO CC[C@@H](O)CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000853694256 968254705 /nfs/dbraw/zinc/25/47/05/968254705.db2.gz NBCYIOIRCVSAEK-OAHLLOKOSA-N 1 0 352.454 1.538 20 10 FDCDRO CC[NH+]1CCN(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000854515256 968955006 /nfs/dbraw/zinc/95/50/06/968955006.db2.gz QZIKBMKCRCCZKJ-UHFFFAOYSA-N 1 0 364.453 1.972 20 10 FDCDRO C[NH+]1CCN(c2cncc(C(=O)N3CCc4cccc(O)c4C3)c2)CC1 ZINC001193943637 969949834 /nfs/dbraw/zinc/94/98/34/969949834.db2.gz GMOYLIGAFJZNOM-UHFFFAOYSA-N 1 0 352.438 1.738 20 10 FDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000855402779 970335974 /nfs/dbraw/zinc/33/59/74/970335974.db2.gz HNLCLHVGXZFCKR-XOWYPZSQSA-N 1 0 368.433 1.994 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)C3)cc2F)C[C@@H](C)O1 ZINC000113503409 970551336 /nfs/dbraw/zinc/55/13/36/970551336.db2.gz UMVYAHCXVYWQMX-FMKPAKJESA-N 1 0 365.449 1.122 20 10 FDCDRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830646 972876121 /nfs/dbraw/zinc/87/61/21/972876121.db2.gz LUOUOVYSJXYWNI-CYBMUJFWSA-N 1 0 373.457 1.952 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]C[C@@H]3C(C)C)CC2)cc1 ZINC000863546307 973000235 /nfs/dbraw/zinc/00/02/35/973000235.db2.gz AESCNSGRBCVGAX-LJQANCHMSA-N 1 0 360.502 1.274 20 10 FDCDRO O[C@@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C[NH+]1CCCC1 ZINC000863550712 973005714 /nfs/dbraw/zinc/00/57/14/973005714.db2.gz DMIYQKBRMGCZAP-KRWDZBQOSA-N 1 0 351.466 1.333 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863553268 973009860 /nfs/dbraw/zinc/00/98/60/973009860.db2.gz YIQINAFVMPCYSS-HOCLYGCPSA-N 1 0 372.435 1.828 20 10 FDCDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000863751184 973171364 /nfs/dbraw/zinc/17/13/64/973171364.db2.gz GGTICLGMSNMACW-UHFFFAOYSA-N 1 0 372.469 1.682 20 10 FDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000863859885 973271356 /nfs/dbraw/zinc/27/13/56/973271356.db2.gz ZFGGTJAXQGEMOQ-UHFFFAOYSA-N 1 0 365.499 1.022 20 10 FDCDRO C[N@H+](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1 ZINC000863924158 973292711 /nfs/dbraw/zinc/29/27/11/973292711.db2.gz SVPMVLKOXUNEHJ-UHFFFAOYSA-N 1 0 353.413 1.902 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)c3c[nH]cn3)cc2F)CC1 ZINC000865203070 974181904 /nfs/dbraw/zinc/18/19/04/974181904.db2.gz YVBVCGAOMVGLNG-QGZVFWFLSA-N 1 0 361.421 1.041 20 10 FDCDRO CC[C@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000865203105 974183183 /nfs/dbraw/zinc/18/31/83/974183183.db2.gz ZKIXWTLKDSDPGA-KRWDZBQOSA-N 1 0 364.465 1.499 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)C2)cc1 ZINC000865609209 974385221 /nfs/dbraw/zinc/38/52/21/974385221.db2.gz TWEKKGXSSUOSDB-IAGOWNOFSA-N 1 0 371.485 1.939 20 10 FDCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CS(N)(=O)=O ZINC000865813149 974513963 /nfs/dbraw/zinc/51/39/63/974513963.db2.gz HPMSTTQINIYYFK-UHFFFAOYSA-N 1 0 359.467 1.067 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O ZINC000105316989 974551023 /nfs/dbraw/zinc/55/10/23/974551023.db2.gz QOYGDACOBSGAEU-MJGOQNOKSA-N 1 0 372.513 1.702 20 10 FDCDRO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764872 976012135 /nfs/dbraw/zinc/01/21/35/976012135.db2.gz ROMDUUUBMMKXLQ-CYBMUJFWSA-N 1 0 364.833 1.879 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848410348 976722275 /nfs/dbraw/zinc/72/22/75/976722275.db2.gz FXHMYRRWSCCRLQ-OXJNMPFZSA-N 1 0 361.461 1.793 20 10 FDCDRO Cc1cnc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)nc1 ZINC000848492821 976838860 /nfs/dbraw/zinc/83/88/60/976838860.db2.gz CDMLPQHRSRCMEH-QGZVFWFLSA-N 1 0 357.410 1.960 20 10 FDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1O ZINC000848904941 977231512 /nfs/dbraw/zinc/23/15/12/977231512.db2.gz CQNMKNYHMGJBAA-KRWDZBQOSA-N 1 0 370.515 1.827 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2)C1 ZINC000849017226 977291638 /nfs/dbraw/zinc/29/16/38/977291638.db2.gz NKQVWFMAXGOEIU-RDJZCZTQSA-N 1 0 359.474 1.181 20 10 FDCDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1O ZINC000868308837 977486353 /nfs/dbraw/zinc/48/63/53/977486353.db2.gz BHSSVGXXEOOZCO-LBPRGKRZSA-N 1 0 355.394 1.690 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c(OC)c1 ZINC000868365680 977541211 /nfs/dbraw/zinc/54/12/11/977541211.db2.gz HLGCUXFIGJZFTQ-HNNXBMFYSA-N 1 0 374.485 1.772 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868421426 977634980 /nfs/dbraw/zinc/63/49/80/977634980.db2.gz KVFOOUADIBQJPB-OALUTQOASA-N 1 0 372.513 1.844 20 10 FDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)cc1 ZINC000850360788 978336445 /nfs/dbraw/zinc/33/64/45/978336445.db2.gz JLNMTESSZREUKZ-SJORKVTESA-N 1 0 354.472 1.066 20 10 FDCDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850510953 978411850 /nfs/dbraw/zinc/41/18/50/978411850.db2.gz YPSGMYIOWUHWKO-XHDPSFHLSA-N 1 0 360.248 1.973 20 10 FDCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850566503 978439902 /nfs/dbraw/zinc/43/99/02/978439902.db2.gz OKSJBRZRCDKGPC-UHFFFAOYSA-N 1 0 374.529 1.290 20 10 FDCDRO OC1CCN(c2ccc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000850568883 978439923 /nfs/dbraw/zinc/43/99/23/978439923.db2.gz MILJYYQAFMPZEC-HXUWFJFHSA-N 1 0 359.514 1.991 20 10 FDCDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000851655556 978986322 /nfs/dbraw/zinc/98/63/22/978986322.db2.gz TUZMHHOFFJIPKM-UHFFFAOYSA-N 1 0 362.449 1.420 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851684861 978996888 /nfs/dbraw/zinc/99/68/88/978996888.db2.gz JFEDSPWVPQRURS-IAOVAPTHSA-N 1 0 364.465 1.006 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000851685809 978997560 /nfs/dbraw/zinc/99/75/60/978997560.db2.gz SLCZQIMIFUQNRN-ZUIJCZDSSA-N 1 0 358.486 1.058 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)[C@@H]1CCCOC1)cc2=O ZINC000880468705 979214422 /nfs/dbraw/zinc/21/44/22/979214422.db2.gz RKMQVOKASYTRSF-DOMZBBRYSA-N 1 0 362.430 1.906 20 10 FDCDRO Cn1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000881849706 980210765 /nfs/dbraw/zinc/21/07/65/980210765.db2.gz UGZUGCSCISLMKJ-UHFFFAOYSA-N 1 0 357.414 1.615 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4cncc4C3)cc2)CC1 ZINC000881851976 980214166 /nfs/dbraw/zinc/21/41/66/980214166.db2.gz FIEAYFNGEGBVHL-KRWDZBQOSA-N 1 0 353.470 1.514 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)c3ccsc3)cc2)CC1 ZINC000881851557 980214525 /nfs/dbraw/zinc/21/45/25/980214525.db2.gz MPRHUAZDBICCLM-UHFFFAOYSA-N 1 0 372.494 1.546 20 10 FDCDRO Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000881853180 980217052 /nfs/dbraw/zinc/21/70/52/980217052.db2.gz MMGSHOUHDHLQEU-SFHVURJKSA-N 1 0 367.497 1.822 20 10 FDCDRO COC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1C ZINC000881853399 980217346 /nfs/dbraw/zinc/21/73/46/980217346.db2.gz UWOSFVMTTCYTSM-UHFFFAOYSA-N 1 0 370.453 1.494 20 10 FDCDRO CC[C@@H](CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)OC ZINC000882663020 980803233 /nfs/dbraw/zinc/80/32/33/980803233.db2.gz PRWOEHKRONIIBR-KRWDZBQOSA-N 1 0 355.504 1.283 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCCO3)cc2)CC1 ZINC000882664018 980803759 /nfs/dbraw/zinc/80/37/59/980803759.db2.gz GLEAGKSVRPINNQ-SFHVURJKSA-N 1 0 367.515 1.427 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@@]3(C)CC3(F)F)cc2)CC1 ZINC000882663667 980803806 /nfs/dbraw/zinc/80/38/06/980803806.db2.gz WHYWEPMQLDIJRS-MRXNPFEDSA-N 1 0 373.469 1.903 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@]4(O)C3)cc2F)CC1 ZINC000883348046 982089810 /nfs/dbraw/zinc/08/98/10/982089810.db2.gz GQBMKXQFRPSLGY-KXBFYZLASA-N 1 0 362.449 1.244 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000883439964 982146178 /nfs/dbraw/zinc/14/61/78/982146178.db2.gz GCJPEOAOJQFACV-IAGOWNOFSA-N 1 0 373.501 1.282 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612203 982153596 /nfs/dbraw/zinc/15/35/96/982153596.db2.gz ZLXTUTNTAGUVSB-XQRVVYSFSA-N 1 0 374.441 1.465 20 10 FDCDRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883571646 982273695 /nfs/dbraw/zinc/27/36/95/982273695.db2.gz LUPQGTQCKWPSRF-QZTJIDSGSA-N 1 0 373.501 1.152 20 10 FDCDRO CC(C)OCCONC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883704620 982398612 /nfs/dbraw/zinc/39/86/12/982398612.db2.gz OWJZBADMJKCLLC-UHFFFAOYSA-N 1 0 350.463 1.594 20 10 FDCDRO CCn1nccc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883786437 982467471 /nfs/dbraw/zinc/46/74/71/982467471.db2.gz CDEBBJDNCRJWHC-UHFFFAOYSA-N 1 0 356.474 1.654 20 10 FDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000884196433 982971530 /nfs/dbraw/zinc/97/15/30/982971530.db2.gz QQETVHBRBWLFSJ-NVXWUHKLSA-N 1 0 358.486 1.250 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N(C)C)cc1 ZINC000884633546 983299727 /nfs/dbraw/zinc/29/97/27/983299727.db2.gz OLRGZKJMHSXADA-DIECFANBSA-N 1 0 358.486 1.577 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000884641390 983307415 /nfs/dbraw/zinc/30/74/15/983307415.db2.gz ISYTYFRGJJDOQC-UKRRQHHQSA-N 1 0 364.465 1.341 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000861669802 983812844 /nfs/dbraw/zinc/81/28/44/983812844.db2.gz DFJVPVIBLJBTNA-UHFFFAOYSA-N 1 0 362.474 1.173 20 10 FDCDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[NH2+]1 ZINC000861805161 983930767 /nfs/dbraw/zinc/93/07/67/983930767.db2.gz XUSRMWWPTJJOHM-SJLPKXTDSA-N 1 0 372.513 1.892 20 10 FDCDRO CN(C)c1cc(F)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000862250587 984283409 /nfs/dbraw/zinc/28/34/09/984283409.db2.gz MIMLWGWLOZTZGP-KRWDZBQOSA-N 1 0 366.456 1.769 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NN2CCOC2=O)C1 ZINC000862703353 984499174 /nfs/dbraw/zinc/49/91/74/984499174.db2.gz LGKPILCLIVPNHP-UHFFFAOYSA-N 1 0 356.426 1.891 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000923625514 986520512 /nfs/dbraw/zinc/52/05/12/986520512.db2.gz PRRJCWIRRQDNMA-CQSZACIVSA-N 1 0 357.451 1.038 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)cc2=O ZINC000886825267 986615537 /nfs/dbraw/zinc/61/55/37/986615537.db2.gz PMAAEMBDFMHCSN-WFASDCNBSA-N 1 0 360.414 1.613 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC1(O)CCOCC1 ZINC000872200885 987511826 /nfs/dbraw/zinc/51/18/26/987511826.db2.gz MBFRXMCKOHTCQF-SFHVURJKSA-N 1 0 366.527 1.622 20 10 FDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)CC3(O)CCOCC3)C2)cc1 ZINC000872210239 987516634 /nfs/dbraw/zinc/51/66/34/987516634.db2.gz RVYWFDRZNZXMHV-WMZOPIPTSA-N 1 0 364.486 1.404 20 10 FDCDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000872213673 987519100 /nfs/dbraw/zinc/51/91/00/987519100.db2.gz WSBXQSZIEXDAIL-NHCUHLMSSA-N 1 0 362.514 1.897 20 10 FDCDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000360448623 988039475 /nfs/dbraw/zinc/03/94/75/988039475.db2.gz NUUFQMXJNSQUJQ-QQOXCAACSA-N 1 0 359.470 1.597 20 10 FDCDRO COc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1Cn1cccn1 ZINC000873013132 988415842 /nfs/dbraw/zinc/41/58/42/988415842.db2.gz UFHFCIPAHUDBHG-UHFFFAOYSA-N 1 0 358.442 1.312 20 10 FDCDRO COc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1Cn1cccn1 ZINC000873071491 988507021 /nfs/dbraw/zinc/50/70/21/988507021.db2.gz LKYWZLIILXIVBD-UHFFFAOYSA-N 1 0 351.472 1.853 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000366181345 988517197 /nfs/dbraw/zinc/51/71/97/988517197.db2.gz DQVFUEQZUOIRIV-ZWKOTPCHSA-N 1 0 362.449 1.650 20 10 FDCDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1Cn1cccn1 ZINC000873118404 988585437 /nfs/dbraw/zinc/58/54/37/988585437.db2.gz JDPOJPHAGWNUFH-UHFFFAOYSA-N 1 0 363.483 1.997 20 10 FDCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298117991 989909235 /nfs/dbraw/zinc/90/92/35/989909235.db2.gz WHNFZMHPOYOQCR-QFBILLFUSA-N 1 0 374.529 1.900 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000298783624 990281384 /nfs/dbraw/zinc/28/13/84/990281384.db2.gz RNILEXISJURSGT-KRWDZBQOSA-N 1 0 357.454 1.604 20 10 FDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000371419889 990419632 /nfs/dbraw/zinc/41/96/32/990419632.db2.gz QWNQWGLTIHTGLI-UHFFFAOYSA-N 1 0 370.453 1.997 20 10 FDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2=O)c1 ZINC000371869676 990788424 /nfs/dbraw/zinc/78/84/24/990788424.db2.gz JTWYQZCKMPUQNL-SJLPKXTDSA-N 1 0 361.486 1.674 20 10 FDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC000875086872 990866766 /nfs/dbraw/zinc/86/67/66/990866766.db2.gz CZVXOCAFQFBCCX-HKUYNNGSSA-N 1 0 370.497 1.456 20 10 FDCDRO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372434997 991102644 /nfs/dbraw/zinc/10/26/44/991102644.db2.gz HMAVWFIXVOMDNT-HXUWFJFHSA-N 1 0 373.497 1.737 20 10 FDCDRO COc1ccnc(NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000372742907 991441653 /nfs/dbraw/zinc/44/16/53/991441653.db2.gz RBNZDRFEBVDCGB-UHFFFAOYSA-N 1 0 358.398 1.996 20 10 FDCDRO COC(OC)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000923645903 992473973 /nfs/dbraw/zinc/47/39/73/992473973.db2.gz IGGCASLSTUMIDW-AWEZNQCLSA-N 1 0 350.463 1.245 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000876507084 992672580 /nfs/dbraw/zinc/67/25/80/992672580.db2.gz VFTFUAUOBUBFPV-MRXNPFEDSA-N 1 0 368.437 1.538 20 10 FDCDRO 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COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210194 608500339 /nfs/dbraw/zinc/50/03/39/608500339.db2.gz ITJFNYZHPILBLN-LLVKDONJSA-N 1 0 368.397 1.870 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210254 608502204 /nfs/dbraw/zinc/50/22/04/608502204.db2.gz KIBMRXPLAQAYPI-PIGZYNQJSA-N 1 0 355.398 1.965 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000826210261 608581471 /nfs/dbraw/zinc/58/14/71/608581471.db2.gz KNXKJMRDLZLYHN-UHFFFAOYSA-N 1 0 367.413 1.298 20 10 FDCDRO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000278231285 675108485 /nfs/dbraw/zinc/10/84/85/675108485.db2.gz KJRPMXSBUVVPPB-SWLSCSKDSA-N 1 0 357.401 1.737 20 10 FDCDRO Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740714 671095205 /nfs/dbraw/zinc/09/52/05/671095205.db2.gz CQIIBJHDWZHRLU-UHFFFAOYSA-N 1 0 363.487 1.257 20 10 FDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000278718975 675185268 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COc1cc(Cl)cc(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000375628859 678154386 /nfs/dbraw/zinc/15/43/86/678154386.db2.gz OOYIHNYGVARHTG-UHFFFAOYSA-N 1 0 355.866 1.650 20 10 FDCDRO CCCNC(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892224463 782350640 /nfs/dbraw/zinc/35/06/40/782350640.db2.gz DTYNGNVAOZCWBT-QGZVFWFLSA-N 1 0 363.506 1.571 20 10 FDCDRO COc1ccc(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)cc1F ZINC000934405668 782631245 /nfs/dbraw/zinc/63/12/45/782631245.db2.gz KHJCCUUMCZQIOZ-UHFFFAOYSA-N 1 0 365.449 1.594 20 10 FDCDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000275126872 771354277 /nfs/dbraw/zinc/35/42/77/771354277.db2.gz NDQKAOVQBDYCAL-UHFFFAOYSA-N 1 0 371.437 1.976 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1)cc2=O ZINC000275161507 771370478 /nfs/dbraw/zinc/37/04/78/771370478.db2.gz RTJKZMYOTMHAMR-KZULUSFZSA-N 1 0 362.430 1.595 20 10 FDCDRO Cc1occc1C(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247202 774092308 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ZINC000376165166 786587831 /nfs/dbraw/zinc/58/78/31/786587831.db2.gz HPIKIIVAOVBKGQ-ZDUSSCGKSA-N 1 0 356.405 1.975 20 10 FDCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160497211 787438347 /nfs/dbraw/zinc/43/83/47/787438347.db2.gz WAKZIBFONVSTAZ-HNNXBMFYSA-N 1 0 356.426 1.827 20 10 FDCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377877596 792973929 /nfs/dbraw/zinc/97/39/29/792973929.db2.gz BZLXOGUIDXIVIE-HOTGVXAUSA-N 1 0 359.470 1.933 20 10 FDCDRO COc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)OC)c(O)c1OC ZINC000893172579 793699288 /nfs/dbraw/zinc/69/92/88/793699288.db2.gz TYCFGAKLLJGDKP-LBPRGKRZSA-N 1 0 358.460 1.641 20 10 FDCDRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000378204011 793705964 /nfs/dbraw/zinc/70/59/64/793705964.db2.gz KFJAHLHHWROXIY-FQEVSTJZSA-N 1 0 352.482 1.916 20 10 FDCDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccccc1CC[NH2+]C)CC2 ZINC000423222525 815008139 /nfs/dbraw/zinc/00/81/39/815008139.db2.gz BLSFKNFUBBJKAS-UHFFFAOYSA-N 1 0 373.478 1.560 20 10 FDCDRO CNC(=O)C(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893771307 809723984 /nfs/dbraw/zinc/72/39/84/809723984.db2.gz WBPIVKJOGKPTSU-MRXNPFEDSA-N 1 0 363.506 1.427 20 10 FDCDRO Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC000893850408 809770633 /nfs/dbraw/zinc/77/06/33/809770633.db2.gz YJUQPFPVJZIMNL-GOSISDBHSA-N 1 0 356.474 1.953 20 10 FDCDRO COC(=O)c1c(CN2CC[NH+](C[C@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000894002739 809859378 /nfs/dbraw/zinc/85/93/78/809859378.db2.gz RDJHUNCLZBDXDZ-ZDUSSCGKSA-N 1 0 363.433 1.602 20 10 FDCDRO C[C@H](C[S@@](C)=O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894152824 810562953 /nfs/dbraw/zinc/56/29/53/810562953.db2.gz OQHBHWMBBWAZCO-ZRAONMGGSA-N 1 0 354.520 1.422 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419706787 812097318 /nfs/dbraw/zinc/09/73/18/812097318.db2.gz LDTXWJUQRZLEFX-UHFFFAOYSA-N 1 0 356.470 1.609 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)CC2)cc1 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[NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841712353 835069035 /nfs/dbraw/zinc/06/90/35/835069035.db2.gz NXCMSRXSCHJZEW-OAHLLOKOSA-N 1 0 350.438 1.543 20 10 FDCDRO Cc1cc(O)c(C[NH+]2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1C ZINC000897573858 839660913 /nfs/dbraw/zinc/66/09/13/839660913.db2.gz QTRPQEFKMFISDF-UHFFFAOYSA-N 1 0 354.458 1.976 20 10 FDCDRO COc1c[nH+]ccc1N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959432 840229259 /nfs/dbraw/zinc/22/92/59/840229259.db2.gz OBURAKLPMDYXFZ-UHFFFAOYSA-N 1 0 355.442 1.747 20 10 FDCDRO CC(C)C(NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000897869489 840523873 /nfs/dbraw/zinc/52/38/73/840523873.db2.gz SBHUXROYAMRFHP-UHFFFAOYSA-N 1 0 374.529 1.851 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1F ZINC000842007097 840601496 /nfs/dbraw/zinc/60/14/96/840601496.db2.gz RYJBPPPKFGOFSV-HNNXBMFYSA-N 1 0 366.437 1.044 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000842036643 840833588 /nfs/dbraw/zinc/83/35/88/840833588.db2.gz PYTCHHBIQSTTBY-UHFFFAOYSA-N 1 0 352.438 1.288 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC34CCC4)cc2)CC1 ZINC000898170757 840849587 /nfs/dbraw/zinc/84/95/87/840849587.db2.gz ISZIAQFQLYSJIV-KRWDZBQOSA-N 1 0 356.470 1.113 20 10 FDCDRO CC(C)[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898326390 840947355 /nfs/dbraw/zinc/94/73/55/840947355.db2.gz NUKWWJOEUUFMHF-LJQANCHMSA-N 1 0 372.513 1.702 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000898447753 844715844 /nfs/dbraw/zinc/71/58/44/844715844.db2.gz LEPUAGPIKQJGLV-LESCRADOSA-N 1 0 353.532 1.768 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000842228371 845765665 /nfs/dbraw/zinc/76/56/65/845765665.db2.gz GEKUHNXRCNLOAH-WBVHZDCISA-N 1 0 372.513 1.748 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899101990 845774390 /nfs/dbraw/zinc/77/43/90/845774390.db2.gz 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COc1ccc(N2CCC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905915689 852405167 /nfs/dbraw/zinc/40/51/67/852405167.db2.gz VDRKRYUKUUQQBR-MJGOQNOKSA-N 1 0 350.459 1.110 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3C[NH3+])ccc21 ZINC000906648938 853099935 /nfs/dbraw/zinc/09/99/35/853099935.db2.gz VEASRCVZVCGVIX-UHFFFAOYSA-N 1 0 352.438 1.783 20 10 FDCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(Br)c2O)C1 ZINC000907757053 854601416 /nfs/dbraw/zinc/60/14/16/854601416.db2.gz BVUSADZTLCNDEC-OAHLLOKOSA-N 1 0 357.248 1.618 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911049073 858087102 /nfs/dbraw/zinc/08/71/02/858087102.db2.gz NZCBXSIWCOQHQQ-IERDGZPVSA-N 1 0 372.513 1.463 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1C[NH3+] ZINC000911111455 858148496 /nfs/dbraw/zinc/14/84/96/858148496.db2.gz HQIKPBVLTIBKAG-PBHICJAKSA-N 1 0 358.486 1.129 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911522112 858736868 /nfs/dbraw/zinc/73/68/68/858736868.db2.gz QPGBEBIFZMKGLV-QGZVFWFLSA-N 1 0 360.502 1.604 20 10 FDCDRO Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911667920 858880888 /nfs/dbraw/zinc/88/08/88/858880888.db2.gz UGRIMLHCAJRILL-FUHWJXTLSA-N 1 0 370.457 1.104 20 10 FDCDRO COCC[N@H+](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761205471 864340584 /nfs/dbraw/zinc/34/05/84/864340584.db2.gz MIPQHYFMBFJLCC-UHFFFAOYSA-N 1 0 355.822 1.388 20 10 FDCDRO COCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761257005 864647263 /nfs/dbraw/zinc/64/72/63/864647263.db2.gz OYBCSIOWVOPGEZ-CQSZACIVSA-N 1 0 367.833 1.531 20 10 FDCDRO COC(=O)CN(CCN1CCOCC1)Cc1c(O)ccc2ccccc21 ZINC000173898882 866153461 /nfs/dbraw/zinc/15/34/61/866153461.db2.gz WNZAWJROFVMRGN-UHFFFAOYSA-N 1 0 358.438 1.853 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)O[C@@H]3CCOC3)cc2F)CC1 ZINC000914076422 870627674 /nfs/dbraw/zinc/62/76/74/870627674.db2.gz YCPQFOSLRNMIIZ-OAHLLOKOSA-N 1 0 351.422 1.983 20 10 FDCDRO CNC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106213839 873833414 /nfs/dbraw/zinc/83/34/14/873833414.db2.gz LSDUCOBAQDJVSV-GDBMZVCRSA-N 1 0 362.474 1.117 20 10 FDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000763024216 877592969 /nfs/dbraw/zinc/59/29/69/877592969.db2.gz IWLLNBQEEZQEMY-UHFFFAOYSA-N 1 0 365.499 1.022 20 10 FDCDRO CNc1nnc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000918856741 884960918 /nfs/dbraw/zinc/96/09/18/884960918.db2.gz AHDXJRILHNMTRF-UHFFFAOYSA-N 1 0 360.487 1.191 20 10 FDCDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000919653957 885983199 /nfs/dbraw/zinc/98/31/99/885983199.db2.gz GBNHYUFUPLPOAW-GOSISDBHSA-N 1 0 360.502 1.789 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)cc1C ZINC000996303409 903647412 /nfs/dbraw/zinc/64/74/12/903647412.db2.gz GFBUGGBOXPPQLO-VYDXJSESSA-N 1 0 359.470 1.452 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000727033945 907008666 /nfs/dbraw/zinc/00/86/66/907008666.db2.gz ZRLZUOKHTKWNOW-QGZVFWFLSA-N 1 0 365.474 1.661 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000785439849 908703933 /nfs/dbraw/zinc/70/39/33/908703933.db2.gz XDTXNEHLJPSOKB-KRWDZBQOSA-N 1 0 360.502 1.605 20 10 FDCDRO CCC(=O)N[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730235003 916381609 /nfs/dbraw/zinc/38/16/09/916381609.db2.gz IKZAIBIPFNMPIV-CQSZACIVSA-N 1 0 364.465 1.499 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000732214072 919213144 /nfs/dbraw/zinc/21/31/44/919213144.db2.gz MHTZEUYGAHBLME-IBGZPJMESA-N 1 0 372.513 1.512 20 10 FDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000766458182 928049575 /nfs/dbraw/zinc/04/95/75/928049575.db2.gz FMFZNTQUBAMRLJ-SFHVURJKSA-N 1 0 352.406 1.474 20 10 FDCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769863480 929704762 /nfs/dbraw/zinc/70/47/62/929704762.db2.gz IUTKRQMLXJLDPC-GFCCVEGCSA-N 1 0 355.460 1.368 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000771459328 930665049 /nfs/dbraw/zinc/66/50/49/930665049.db2.gz IXYXWGRZMNEJFH-IRXDYDNUSA-N 1 0 360.502 1.368 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000787648704 932356859 /nfs/dbraw/zinc/35/68/59/932356859.db2.gz CQDMQXPEHUTQBV-UHFFFAOYSA-N 1 0 360.502 1.525 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668909 932363145 /nfs/dbraw/zinc/36/31/45/932363145.db2.gz IJSVSHDQNUFASD-JKSUJKDBSA-N 1 0 360.502 1.778 20 10 FDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000788385804 932688756 /nfs/dbraw/zinc/68/87/56/932688756.db2.gz GKOLCQGWMSWLQC-OAHLLOKOSA-N 1 0 354.472 1.709 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000788561591 932732698 /nfs/dbraw/zinc/73/26/98/932732698.db2.gz FAXHQMBIVCYPAP-HUUCEWRRSA-N 1 0 362.449 1.251 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000788573832 932743464 /nfs/dbraw/zinc/74/34/64/932743464.db2.gz RGRGWXPBNYQFRK-SJLPKXTDSA-N 1 0 358.486 1.454 20 10 FDCDRO O=S(=O)(NC1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000772722464 932746313 /nfs/dbraw/zinc/74/63/13/932746313.db2.gz MQWRQJFQRIWYRK-CQSZACIVSA-N 1 0 359.879 1.596 20 10 FDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793792735 934275868 /nfs/dbraw/zinc/27/58/68/934275868.db2.gz HTCJAPPJPZPWBD-CYBMUJFWSA-N 1 0 352.454 1.354 20 10 FDCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2O ZINC000806169295 938898777 /nfs/dbraw/zinc/89/87/77/938898777.db2.gz DINSVNAOWLJHMH-OUCADQQQSA-N 1 0 371.478 1.940 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cncn3C)cc2F)CC1 ZINC000806810292 940063339 /nfs/dbraw/zinc/06/33/39/940063339.db2.gz RZCMIVLYMVVSPH-UHFFFAOYSA-N 1 0 359.449 1.560 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000807096039 940247741 /nfs/dbraw/zinc/24/77/41/940247741.db2.gz 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Cn1nncc1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000809904816 940920512 /nfs/dbraw/zinc/92/05/12/940920512.db2.gz ULKLVSCUSBUEEM-UHFFFAOYSA-N 1 0 369.473 1.669 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815433 941267788 /nfs/dbraw/zinc/26/77/88/941267788.db2.gz HWAXTFGRBVWMFB-OXQOHEQNSA-N 1 0 373.497 1.954 20 10 FDCDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000813861700 941482623 /nfs/dbraw/zinc/48/26/23/941482623.db2.gz XGYJXAIWGKGTAE-MRXNPFEDSA-N 1 0 365.499 1.068 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC000815299376 941816433 /nfs/dbraw/zinc/81/64/33/941816433.db2.gz YWFXSOJAFNTQOM-OALUTQOASA-N 1 0 363.502 1.025 20 10 FDCDRO O=C(CN1CCOCC1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483196 942214942 /nfs/dbraw/zinc/21/49/42/942214942.db2.gz JKZQUHUCNCLHGE-UHFFFAOYSA-N 1 0 369.465 1.522 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1C ZINC001086776531 942473125 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PREDSFSUZKRISA-OAQYLSRUSA-N 1 0 372.513 1.702 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817988927 943121303 /nfs/dbraw/zinc/12/13/03/943121303.db2.gz AMPLRPRYMBMSKI-IBGZPJMESA-N 1 0 372.513 1.846 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CC1=O ZINC000827978194 943334869 /nfs/dbraw/zinc/33/48/69/943334869.db2.gz KFGFGKFBAUFGCT-XHSDSOJGSA-N 1 0 359.470 1.902 20 10 FDCDRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996539 943376957 /nfs/dbraw/zinc/37/69/57/943376957.db2.gz HVGXUEYRBBNWKZ-KRWDZBQOSA-N 1 0 367.405 1.589 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COC3CCOCC3)CC2)cc1 ZINC000819003161 943380560 /nfs/dbraw/zinc/38/05/60/943380560.db2.gz SZRATPPYZFCABK-GOSISDBHSA-N 1 0 364.486 1.810 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000819044457 943393026 /nfs/dbraw/zinc/39/30/26/943393026.db2.gz ZRKPNBATZDZUBY-HNNXBMFYSA-N 1 0 365.409 1.927 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000819044458 943393280 /nfs/dbraw/zinc/39/32/80/943393280.db2.gz ZRKPNBATZDZUBY-OAHLLOKOSA-N 1 0 365.409 1.927 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H]3CCn4ccnc43)CC2)cc1 ZINC000819336515 943532551 /nfs/dbraw/zinc/53/25/51/943532551.db2.gz GVWVULRVMZKDBN-HKUYNNGSSA-N 1 0 371.485 1.109 20 10 FDCDRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000805790820 945040224 /nfs/dbraw/zinc/04/02/24/945040224.db2.gz FLKUJKKTPDRYLX-HKUYNNGSSA-N 1 0 365.518 1.271 20 10 FDCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000823523418 945797216 /nfs/dbraw/zinc/79/72/16/945797216.db2.gz FFSUZYXKJXJCOS-NRFANRHFSA-N 1 0 372.513 1.885 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000824519266 946497711 /nfs/dbraw/zinc/49/77/11/946497711.db2.gz ZFDOAWGMYARGPA-INIZCTEOSA-N 1 0 364.490 1.399 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CC(=O)N(CCC(F)(F)F)C3)cc2)CC1 ZINC000824709929 946716861 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20 10 FDCDRO COC(=O)[C@@H]1CN(CN(C)CCN(C)c2ccc(OC)cc2)C(=O)O1 ZINC000844725198 948332713 /nfs/dbraw/zinc/33/27/13/948332713.db2.gz HXNJAXLXEGWPHO-HNNXBMFYSA-N 1 0 351.403 1.015 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1 ZINC000845064905 948658962 /nfs/dbraw/zinc/65/89/62/948658962.db2.gz MAUZIAUSTNYXGV-CRAIPNDOSA-N 1 0 364.490 1.492 20 10 FDCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001144499825 949696858 /nfs/dbraw/zinc/69/68/58/949696858.db2.gz KETQEKCTOCNWRS-ZDUSSCGKSA-N 1 0 368.430 1.871 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857244664 971670515 /nfs/dbraw/zinc/67/05/15/971670515.db2.gz JXIVZFVJJVAKFB-UTKZUKDTSA-N 1 0 372.513 1.831 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857244954 971671576 /nfs/dbraw/zinc/67/15/76/971671576.db2.gz NHVSLXIJSSXBKS-OXJNMPFZSA-N 1 0 359.470 1.861 20 10 FDCDRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715299 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FDCDRO O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)c1cccc(O)c1O ZINC001148218744 952652225 /nfs/dbraw/zinc/65/22/25/952652225.db2.gz JXYBPRPQYVXIGP-UHFFFAOYSA-N 1 0 357.410 1.464 20 10 FDCDRO CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148582521 952757299 /nfs/dbraw/zinc/75/72/99/952757299.db2.gz JPFHQOMDIXDGJB-UHFFFAOYSA-N 1 0 360.414 1.565 20 10 FDCDRO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148590440 952761274 /nfs/dbraw/zinc/76/12/74/952761274.db2.gz KCHQJRBSHDTDRJ-AWEZNQCLSA-N 1 0 358.394 1.816 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2C)cc1C ZINC001093795121 958801628 /nfs/dbraw/zinc/80/16/28/958801628.db2.gz JUWAGIOGMHYOHF-NVXWUHKLSA-N 1 0 357.458 1.479 20 10 FDCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182154844 961501915 /nfs/dbraw/zinc/50/19/15/961501915.db2.gz OKFBSJJJQADUIN-HNNXBMFYSA-N 1 0 358.442 1.447 20 10 FDCDRO CC(C)(C)OC(=O)CN1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001172886982 961818106 /nfs/dbraw/zinc/81/81/06/961818106.db2.gz VRUPSUCWEDZOAD-UHFFFAOYSA-N 1 0 366.458 1.742 20 10 FDCDRO CC[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001184266227 963517179 /nfs/dbraw/zinc/51/71/79/963517179.db2.gz XJDSZZLYYZWWQW-HXUWFJFHSA-N 1 0 363.502 1.875 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnc4cnccn34)CC2)cc1 ZINC001177515462 963859680 /nfs/dbraw/zinc/85/96/80/963859680.db2.gz UKLRDFCONLJITE-UHFFFAOYSA-N 1 0 366.469 1.650 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3nccs3)cc2)CC1 ZINC001187908847 965852020 /nfs/dbraw/zinc/85/20/20/965852020.db2.gz NSULFDWVCPJOBN-UHFFFAOYSA-N 1 0 352.485 1.373 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000775258924 967020134 /nfs/dbraw/zinc/02/01/34/967020134.db2.gz CDBOCPQBJHGXRO-BXWFABGCSA-N 1 0 361.486 1.858 20 10 FDCDRO O=C(C[N@@H+]1CCC2(COC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852682985 967528743 /nfs/dbraw/zinc/52/87/43/967528743.db2.gz DRZMZBDOPFKJQP-UHFFFAOYSA-N 1 0 363.433 1.001 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852793650 967612105 /nfs/dbraw/zinc/61/21/05/967612105.db2.gz DVDTVUTXZOPTOE-OAHLLOKOSA-N 1 0 355.442 1.253 20 10 FDCDRO C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000852796127 967613035 /nfs/dbraw/zinc/61/30/35/967613035.db2.gz OTZYJVBGMADRML-GOEBONIOSA-N 1 0 369.469 1.814 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000775361941 967614927 /nfs/dbraw/zinc/61/49/27/967614927.db2.gz DUTRVYNCICCMHU-YNEHKIRRSA-N 1 0 370.471 1.085 20 10 FDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1(C)C ZINC000852844102 967651223 /nfs/dbraw/zinc/65/12/23/967651223.db2.gz QFSYLNQMYCDHBX-JNAXZKDPSA-N 1 0 361.486 1.923 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)c3ccccn3)CC2)cc1 ZINC000853097081 967829611 /nfs/dbraw/zinc/82/96/11/967829611.db2.gz VAAKWVYEODYOTL-NRFANRHFSA-N 1 0 370.497 1.926 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853781561 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CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Cl)ccc1O ZINC000866553413 975779839 /nfs/dbraw/zinc/77/98/39/975779839.db2.gz LXORWHOWBAQBOQ-WMLDXEAASA-N 1 0 354.834 1.714 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866724105 975963151 /nfs/dbraw/zinc/96/31/51/975963151.db2.gz IEOXAESKOOZUGE-MOPGFXCFSA-N 1 0 358.486 1.170 20 10 FDCDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000848594407 976931946 /nfs/dbraw/zinc/93/19/46/976931946.db2.gz BMWSKQPLOMBPFM-BXUZGUMPSA-N 1 0 360.380 1.773 20 10 FDCDRO CCc1cccc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1O ZINC000848881700 977221827 /nfs/dbraw/zinc/22/18/27/977221827.db2.gz RHJBCHMYIKPTQQ-UHFFFAOYSA-N 1 0 373.497 1.891 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2)C1 ZINC000849017227 977291272 /nfs/dbraw/zinc/29/12/72/977291272.db2.gz NKQVWFMAXGOEIU-WBVHZDCISA-N 1 0 359.474 1.181 20 10 FDCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000849098571 977314380 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371.481 1.938 20 10 FDCDRO CC[NH+]1CCC(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000583644724 551381440 /nfs/dbraw/zinc/38/14/40/551381440.db2.gz QLCWIRKWSRUYHD-UHFFFAOYSA-N 1 0 356.470 1.703 20 10 FDCDRO C[C@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2N(C)C1=O ZINC000592538301 552006211 /nfs/dbraw/zinc/00/62/11/552006211.db2.gz LMAHVKZHKWHWBG-KBPBESRZSA-N 1 0 367.453 1.979 20 10 FDCDRO C[NH+]1CCC(C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000272563849 674456743 /nfs/dbraw/zinc/45/67/43/674456743.db2.gz UMXAANYDOBUQMC-UHFFFAOYSA-N 1 0 355.460 1.225 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1OC ZINC000275591462 674625255 /nfs/dbraw/zinc/62/52/55/674625255.db2.gz RJZOPAMMCWMJEJ-LBPRGKRZSA-N 1 0 353.419 1.893 20 10 FDCDRO COc1c(O)c(CN2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278312293 675121084 /nfs/dbraw/zinc/12/10/84/675121084.db2.gz XAIVYXCGBRPURU-UHFFFAOYSA-N 1 0 351.403 1.606 20 10 FDCDRO CCC[NH+]1CCC(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)CC1 ZINC000028975965 670799142 /nfs/dbraw/zinc/79/91/42/670799142.db2.gz VVSRKOGJJJVYOW-UHFFFAOYSA-N 1 0 352.504 1.330 20 10 FDCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2c1 ZINC000116869420 671659803 /nfs/dbraw/zinc/65/98/03/671659803.db2.gz UFCIMSHJJVDKGU-CYBMUJFWSA-N 1 0 350.440 1.678 20 10 FDCDRO C[C@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCN(C)CC1 ZINC000153972383 671911959 /nfs/dbraw/zinc/91/19/59/671911959.db2.gz YDLYBHQULNLSNT-CQSZACIVSA-N 1 0 371.576 1.808 20 10 FDCDRO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cccc(C)c3O)C2)cc1 ZINC000154585997 671925591 /nfs/dbraw/zinc/92/55/91/671925591.db2.gz YBTDWBSEKKRVPP-UHFFFAOYSA-N 1 0 362.451 1.872 20 10 FDCDRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000159919867 671996583 /nfs/dbraw/zinc/99/65/83/671996583.db2.gz KRILNCAOBAFHQB-HNNXBMFYSA-N 1 0 353.532 1.912 20 10 FDCDRO CC(C)CN1C(=O)C(=CNCCC[N@@H+]2CCCC[C@@H]2C)C(=O)NC1=S ZINC000255371314 672616820 /nfs/dbraw/zinc/61/68/20/672616820.db2.gz JOCAWCJQEJJVFI-AYYGCFCKSA-N 1 0 366.531 1.624 20 10 FDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285648175 675838501 /nfs/dbraw/zinc/83/85/01/675838501.db2.gz GONRJRIDYNXSSO-ZDUSSCGKSA-N 1 0 352.454 1.354 20 10 FDCDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000370657830 677602602 /nfs/dbraw/zinc/60/26/02/677602602.db2.gz RMJHOCWIBHHLKA-HNNXBMFYSA-N 1 0 372.487 1.273 20 10 FDCDRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373148642 678037722 /nfs/dbraw/zinc/03/77/22/678037722.db2.gz XWHRQJZZKIIPFY-WMZOPIPTSA-N 1 0 352.475 1.620 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891243509 774057888 /nfs/dbraw/zinc/05/78/88/774057888.db2.gz PCTQYOAZWNJNSD-MOPGFXCFSA-N 1 0 372.513 1.873 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2nnn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000891246523 774089434 /nfs/dbraw/zinc/08/94/34/774089434.db2.gz OQQYIMFBRDGXLU-HNNXBMFYSA-N 1 0 359.478 1.527 20 10 FDCDRO COC(=O)c1cnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891247141 774092187 /nfs/dbraw/zinc/09/21/87/774092187.db2.gz FTFMRHUFSHAQJB-QGZVFWFLSA-N 1 0 371.441 1.362 20 10 FDCDRO Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251953 774124433 /nfs/dbraw/zinc/12/44/33/774124433.db2.gz IOFKLPRYVFKJSQ-SFHVURJKSA-N 1 0 372.469 1.347 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000891251292 774129516 /nfs/dbraw/zinc/12/95/16/774129516.db2.gz BPVCAYFFKFGUSG-QGZVFWFLSA-N 1 0 374.445 1.667 20 10 FDCDRO COc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)nn1C ZINC000891253078 774140209 /nfs/dbraw/zinc/14/02/09/774140209.db2.gz QHUNEQVYBWSAHD-INIZCTEOSA-N 1 0 359.474 1.836 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)[NH+](C)C)cc1 ZINC000891254282 774151507 /nfs/dbraw/zinc/15/15/07/774151507.db2.gz YDCVCEWZGRTVMY-MRXNPFEDSA-N 1 0 368.441 1.534 20 10 FDCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1C(=O)CCC1=O ZINC000891256221 774162343 /nfs/dbraw/zinc/16/23/43/774162343.db2.gz VVLFBLBLFBOARW-XJKSGUPXSA-N 1 0 360.458 1.009 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891415968 776964092 /nfs/dbraw/zinc/96/40/92/776964092.db2.gz SRMKHJAEQPSBAS-BCDXTJNWSA-N 1 0 358.486 1.853 20 10 FDCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891591352 778395802 /nfs/dbraw/zinc/39/58/02/778395802.db2.gz AXXHYGUDDGFVDA-UHFFFAOYSA-N 1 0 372.487 1.703 20 10 FDCDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891772005 779337817 /nfs/dbraw/zinc/33/78/17/779337817.db2.gz JYVZMEQUEZNXBM-UHFFFAOYSA-N 1 0 366.458 1.774 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000277023950 780669274 /nfs/dbraw/zinc/66/92/74/780669274.db2.gz RHNHJIMOVXXAEF-MOPGFXCFSA-N 1 0 361.486 1.891 20 10 FDCDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@H]2C1 ZINC000892030630 781293446 /nfs/dbraw/zinc/29/34/46/781293446.db2.gz CEXCRFNJESZSEU-CALCHBBNSA-N 1 0 360.527 1.943 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000102781616 784961993 /nfs/dbraw/zinc/96/19/93/784961993.db2.gz OGUBKHKJCXRSRR-INIZCTEOSA-N 1 0 361.490 1.139 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)ccc21 ZINC000892492828 785261914 /nfs/dbraw/zinc/26/19/14/785261914.db2.gz UOUMDIXJQBTVDH-VQTJNVASSA-N 1 0 372.513 1.810 20 10 FDCDRO Cc1noc(CCCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000892704693 789562664 /nfs/dbraw/zinc/56/26/64/789562664.db2.gz MTXJJBOHYWEDCM-KRWDZBQOSA-N 1 0 374.489 1.979 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4ncccn4n3)cc2)CC1 ZINC000893607925 807042741 /nfs/dbraw/zinc/04/27/41/807042741.db2.gz MWDAHDRKOPCDST-UHFFFAOYSA-N 1 0 350.426 1.411 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](n3ccnc3)C1)cc2=O ZINC000729266533 811096477 /nfs/dbraw/zinc/09/64/77/811096477.db2.gz JLFXZXPXSSMKGI-AWEZNQCLSA-N 1 0 370.413 1.645 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419707629 812099234 /nfs/dbraw/zinc/09/92/34/812099234.db2.gz MGQHTSXVZACCGW-FQEVSTJZSA-N 1 0 356.470 1.609 20 10 FDCDRO Cc1nccnc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895054194 819671102 /nfs/dbraw/zinc/67/11/02/819671102.db2.gz CGWIXCMPQWEBNZ-LJQANCHMSA-N 1 0 370.501 1.996 20 10 FDCDRO COC(=O)[C@@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)C[C@@H]1S(C)(=O)=O ZINC000895510887 822633014 /nfs/dbraw/zinc/63/30/14/822633014.db2.gz WJMNVVGFJXRLTM-DZGCQCFKSA-N 1 0 361.847 1.420 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CCO)C3)CC2)cc1 ZINC000729544848 822677377 /nfs/dbraw/zinc/67/73/77/822677377.db2.gz NYDIHPMSGCNFET-KRWDZBQOSA-N 1 0 361.486 1.438 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C2)cc1 ZINC000895650733 822682271 /nfs/dbraw/zinc/68/22/71/822682271.db2.gz NBDGLWTYIVTCCV-RZQQEMMASA-N 1 0 358.486 1.867 20 10 FDCDRO CC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000895927135 823774471 /nfs/dbraw/zinc/77/44/71/823774471.db2.gz GSEHLYOLTJBACA-SJLPKXTDSA-N 1 0 361.490 1.275 20 10 FDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]1OC ZINC000896053103 823989272 /nfs/dbraw/zinc/98/92/72/823989272.db2.gz AYAPZTUZJKMDJU-IPMKNSEASA-N 1 0 361.486 1.670 20 10 FDCDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000897045541 826813194 /nfs/dbraw/zinc/81/31/94/826813194.db2.gz JARXKHZTCNQNED-CYBMUJFWSA-N 1 0 369.259 1.618 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC ZINC000897222155 827186625 /nfs/dbraw/zinc/18/66/25/827186625.db2.gz SRIVQQRNLFWADR-CHWSQXEVSA-N 1 0 351.403 1.647 20 10 FDCDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H]1C ZINC000841722569 835227133 /nfs/dbraw/zinc/22/71/33/835227133.db2.gz OSTGBSORABPLBE-YQQAZPJKSA-N 1 0 373.501 1.280 20 10 FDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841723244 835240278 /nfs/dbraw/zinc/24/02/78/835240278.db2.gz UGBOTBKRQKISER-ZBFHGGJFSA-N 1 0 361.490 1.186 20 10 FDCDRO CN(C)c1ccc([C@@H](CNc2ncccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000897524922 836453129 /nfs/dbraw/zinc/45/31/29/836453129.db2.gz GGOQKDLNBYXRJZ-OAHLLOKOSA-N 1 0 363.487 1.510 20 10 FDCDRO Nc1ccc(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000841955568 840211330 /nfs/dbraw/zinc/21/13/30/840211330.db2.gz GXVLHQLXFRQAFA-UHFFFAOYSA-N 1 0 360.502 1.955 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1F ZINC000841978365 840318734 /nfs/dbraw/zinc/31/87/34/840318734.db2.gz QONPTWOOUUKGMK-CJNGLKHVSA-N 1 0 350.438 1.664 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)cc1F ZINC000841985313 840391938 /nfs/dbraw/zinc/39/19/38/840391938.db2.gz BCHGXACTKMTIKT-CZUORRHYSA-N 1 0 350.438 1.664 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[NH+](C)C)cc1 ZINC000897903936 840565080 /nfs/dbraw/zinc/56/50/80/840565080.db2.gz KPRHDUBOIUZNKJ-SGYMCOKNSA-N 1 0 358.486 1.830 20 10 FDCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000842180648 845367861 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CN(C)c1ccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000068384944 889168195 /nfs/dbraw/zinc/16/81/95/889168195.db2.gz HXZFZZPHGSTSMQ-UHFFFAOYSA-N 1 0 353.470 1.829 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C)cc1C ZINC001082489251 907992354 /nfs/dbraw/zinc/99/23/54/907992354.db2.gz RCBXTJDOKSCSHB-NVXWUHKLSA-N 1 0 357.458 1.622 20 10 FDCDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000785438354 908316592 /nfs/dbraw/zinc/31/65/92/908316592.db2.gz CMHZXZSXOGGQIC-IERDGZPVSA-N 1 0 374.529 1.996 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCC[NH+](C)C ZINC000730597072 917066065 /nfs/dbraw/zinc/06/60/65/917066065.db2.gz RYIGPNJUALPUIG-UHFFFAOYSA-N 1 0 350.532 1.781 20 10 FDCDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2=CC(=O)CS2)C1 ZINC000732354467 919462104 /nfs/dbraw/zinc/46/21/04/919462104.db2.gz MYPVHNHSQNOGPP-CYBMUJFWSA-N 1 0 356.444 1.084 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](CCO)C(C)C)CC2)cc1 ZINC000771786342 930886709 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CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807678302 940453858 /nfs/dbraw/zinc/45/38/58/940453858.db2.gz WDOZOMVOSNROLU-HOTGVXAUSA-N 1 0 360.502 1.730 20 10 FDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000811788972 941166156 /nfs/dbraw/zinc/16/61/56/941166156.db2.gz OFSXHTRLPOSOCT-UHFFFAOYSA-N 1 0 357.476 1.023 20 10 FDCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H]1C[NH2+]C[C@H]1CO)N=[N+]=[N-] ZINC001170779671 941806264 /nfs/dbraw/zinc/80/62/64/941806264.db2.gz YMAFEGPOLFSICH-DZTAAYFPSA-N 1 0 360.418 1.905 20 10 FDCDRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000817117628 942557454 /nfs/dbraw/zinc/55/74/54/942557454.db2.gz KRUBKLZUFZZJBH-MRXNPFEDSA-N 1 0 362.518 1.566 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CCO)CC1)cc2=O ZINC000817296239 942681239 /nfs/dbraw/zinc/68/12/39/942681239.db2.gz GTNDMVCYPXDDHG-CYBMUJFWSA-N 1 0 362.430 1.596 20 10 FDCDRO C[NH+](C)C1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000817705297 942899424 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1 0 370.476 1.912 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000817917294 943076822 /nfs/dbraw/zinc/07/68/22/943076822.db2.gz AUDFLAVITWKXJD-UHFFFAOYSA-N 1 0 358.486 1.313 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817971519 943109564 /nfs/dbraw/zinc/10/95/64/943109564.db2.gz DRYUHMLIFIAHON-IINYFYTJSA-N 1 0 362.352 1.787 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)cc1 ZINC000818212133 943196740 /nfs/dbraw/zinc/19/67/40/943196740.db2.gz NIAFPMMMELVJEJ-MRXNPFEDSA-N 1 0 370.457 1.174 20 10 FDCDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818965515 943346228 /nfs/dbraw/zinc/34/62/28/943346228.db2.gz BGHPLPGTRZIQTA-OAHLLOKOSA-N 1 0 354.422 1.456 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cccc(C)n3)CC2)cc1 ZINC000818965109 943346346 /nfs/dbraw/zinc/34/63/46/943346346.db2.gz DPGAURFDEOLGKH-FQEVSTJZSA-N 1 0 370.497 1.671 20 10 FDCDRO COCC[C@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818993317 943376037 /nfs/dbraw/zinc/37/60/37/943376037.db2.gz ZJPHWXIWSGCNSY-FUHWJXTLSA-N 1 0 351.491 1.193 20 10 FDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121106 943448682 /nfs/dbraw/zinc/44/86/82/943448682.db2.gz GTLHJTKZEZYCLP-RHSMWYFYSA-N 1 0 370.465 1.289 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000819272826 943521631 /nfs/dbraw/zinc/52/16/31/943521631.db2.gz INUJBTKSWFFFGV-FUHWJXTLSA-N 1 0 365.543 1.521 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)[C@H](C)OC)CC2)cc1 ZINC000819323650 943526543 /nfs/dbraw/zinc/52/65/43/943526543.db2.gz NVUPBBKVMIKZDZ-RYRKJORJSA-N 1 0 351.491 1.191 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000819377744 943563957 /nfs/dbraw/zinc/56/39/57/943563957.db2.gz UMYUJJRPQBMGMP-DFQSSKMNSA-N 1 0 371.481 1.917 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000819377745 943564178 /nfs/dbraw/zinc/56/41/78/943564178.db2.gz UMYUJJRPQBMGMP-MISYRCLQSA-N 1 0 371.481 1.917 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819887308 943773457 /nfs/dbraw/zinc/77/34/57/943773457.db2.gz ITIYEORGTHLKIA-INIZCTEOSA-N 1 0 369.531 1.783 20 10 FDCDRO CCOC(=O)CNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001195579233 971049188 /nfs/dbraw/zinc/04/91/88/971049188.db2.gz RVSIVYRXBWXFOH-UHFFFAOYSA-N 1 0 351.472 1.384 20 10 FDCDRO COc1cc(O)c(CN2CCCC[C@@](O)(C[NH3+])C2)c(Br)c1 ZINC001205726268 971234536 /nfs/dbraw/zinc/23/45/36/971234536.db2.gz SDPQRDOPWSMNFH-OAHLLOKOSA-N 1 0 359.264 1.839 20 10 FDCDRO CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685224 946682980 /nfs/dbraw/zinc/68/29/80/946682980.db2.gz BIBYZXGZXNAYMI-MRXNPFEDSA-N 1 0 364.490 1.135 20 10 FDCDRO Cn1c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c[nH]c1=O ZINC000867152879 971418662 /nfs/dbraw/zinc/41/86/62/971418662.db2.gz UEHQZENXTMCCKB-UHFFFAOYSA-N 1 0 369.469 1.588 20 10 FDCDRO COC[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[NH2+]C1 ZINC000844173644 947816412 /nfs/dbraw/zinc/81/64/12/947816412.db2.gz OBJJAVJVTYXDCD-FQEVSTJZSA-N 1 0 361.486 1.138 20 10 FDCDRO COC[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[NH2+]C1 ZINC000844173645 947816567 /nfs/dbraw/zinc/81/65/67/947816567.db2.gz OBJJAVJVTYXDCD-HXUWFJFHSA-N 1 0 361.486 1.138 20 10 FDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000844175598 947817612 /nfs/dbraw/zinc/81/76/12/947817612.db2.gz JSBNCGZBJDKRSP-QGPMSJSTSA-N 1 0 358.486 1.393 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH+]ccc3N)cc2)C1 ZINC000844175881 947817778 /nfs/dbraw/zinc/81/77/78/947817778.db2.gz LOROKXHKECPKCE-AWEZNQCLSA-N 1 0 353.426 1.126 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000844217391 947845161 /nfs/dbraw/zinc/84/51/61/947845161.db2.gz GTNVRBKOWZLNAT-QFBILLFUSA-N 1 0 360.502 1.546 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000844223491 947856967 /nfs/dbraw/zinc/85/69/67/947856967.db2.gz BNZVCRWUZBKACU-OAQYLSRUSA-N 1 0 372.513 1.419 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000844400705 948030065 /nfs/dbraw/zinc/03/00/65/948030065.db2.gz HEWSQNNOZROOTQ-SFHVURJKSA-N 1 0 371.485 1.992 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](CCF)C3=O)cc2F)CC1 ZINC000844713466 948319713 /nfs/dbraw/zinc/31/97/13/948319713.db2.gz DOKPRHOROYFTCU-HNNXBMFYSA-N 1 0 366.412 1.748 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)cc1 ZINC000857086467 971566550 /nfs/dbraw/zinc/56/65/50/971566550.db2.gz KZMLDAKSJMLQNZ-OXQOHEQNSA-N 1 0 358.486 1.157 20 10 FDCDRO NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)cc1 ZINC001144516452 949808550 /nfs/dbraw/zinc/80/85/50/949808550.db2.gz YQHVKLDPCBVQEB-HNNXBMFYSA-N 1 0 358.394 1.946 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857245866 971671606 /nfs/dbraw/zinc/67/16/06/971671606.db2.gz WIIUCWVCPZRHBJ-OXQOHEQNSA-N 1 0 358.486 1.441 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000846156411 950576459 /nfs/dbraw/zinc/57/64/59/950576459.db2.gz FTNXLAMDGDFFQP-VXGBXAGGSA-N 1 0 371.480 1.948 20 10 FDCDRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846344473 950967384 /nfs/dbraw/zinc/96/73/84/950967384.db2.gz QKJVZAUEWYLXTA-HNNXBMFYSA-N 1 0 368.481 1.966 20 10 FDCDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c(F)ccc(O)c1O ZINC000857308901 971711740 /nfs/dbraw/zinc/71/17/40/971711740.db2.gz SDTVFOFGUPLQNE-AWEZNQCLSA-N 1 0 360.385 1.734 20 10 FDCDRO COC(=O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000775723223 971730754 /nfs/dbraw/zinc/73/07/54/971730754.db2.gz FZVXQMCPFMUEHX-UHFFFAOYSA-N 1 0 361.486 1.592 20 10 FDCDRO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001147950996 952585496 /nfs/dbraw/zinc/58/54/96/952585496.db2.gz BFUNUVIYKBLFJN-HNNXBMFYSA-N 1 0 367.440 1.837 20 10 FDCDRO CC(C)(C)OC(=O)C1(NC(=O)c2cccc(O)c2O)CCC([NH3+])CC1 ZINC001148219968 952652648 /nfs/dbraw/zinc/65/26/48/952652648.db2.gz IPGRBZHKZVSCBG-UHFFFAOYSA-N 1 0 350.415 1.809 20 10 FDCDRO C[NH+](C)CCCS(=O)(=O)NCc1cccc(Br)c1O ZINC000867194803 971876754 /nfs/dbraw/zinc/87/67/54/971876754.db2.gz HGSNMJLOKLHRDO-UHFFFAOYSA-N 1 0 351.266 1.526 20 10 FDCDRO O=C1NC(=O)[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)N1 ZINC001181592002 960975053 /nfs/dbraw/zinc/97/50/53/960975053.db2.gz WVTARYTWAXMMHF-YWZLYKJASA-N 1 0 372.469 1.116 20 10 FDCDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1=O ZINC001171688361 961278223 /nfs/dbraw/zinc/27/82/23/961278223.db2.gz VZOCYVCBNAPOQP-NSHDSACASA-N 1 0 352.387 1.472 20 10 FDCDRO CS(=O)(=O)N(C(=O)CCc1ccc(O)c(O)c1)c1ccc(C[NH3+])cc1 ZINC001182155976 961504111 /nfs/dbraw/zinc/50/41/11/961504111.db2.gz YBIFKJOHHLFKJW-UHFFFAOYSA-N 1 0 364.423 1.482 20 10 FDCDRO Cc1oncc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001187390367 965337583 /nfs/dbraw/zinc/33/75/83/965337583.db2.gz FNPWYAKSQVTFQD-UHFFFAOYSA-N 1 0 350.444 1.213 20 10 FDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000775206071 966647944 /nfs/dbraw/zinc/64/79/44/966647944.db2.gz UGEZJPWBYGTPRA-UYAOXDASSA-N 1 0 364.486 1.369 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(Cn3ccnn3)c2)cc1 ZINC000852791045 967609205 /nfs/dbraw/zinc/60/92/05/967609205.db2.gz CIAOVXIKJZEDNW-LJQANCHMSA-N 1 0 364.453 1.822 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852850887 967656190 /nfs/dbraw/zinc/65/61/90/967656190.db2.gz KOCGEQCYZUWWIN-NSHDSACASA-N 1 0 356.220 1.607 20 10 FDCDRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775371257 967739813 /nfs/dbraw/zinc/73/98/13/967739813.db2.gz WBWLHSLHYFSJBD-GFCCVEGCSA-N 1 0 350.415 1.463 20 10 FDCDRO CC(C)CN1C(=O)C(=CNNc2ccc(Cl)c[nH+]2)C(=O)NC1=S ZINC000852999421 967766129 /nfs/dbraw/zinc/76/61/29/967766129.db2.gz ATUMGMWYNDVVBV-UXBLZVDNSA-N 1 0 353.835 1.435 20 10 FDCDRO COc1ccc(N2CC[C@@H](Nc3cc(-n4cccn4)nc(N)[nH+]3)C2)cc1 ZINC000853758389 968295777 /nfs/dbraw/zinc/29/57/77/968295777.db2.gz DRUGZBWZAMTWBI-CYBMUJFWSA-N 1 0 351.414 1.944 20 10 FDCDRO COc1cc(C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc(O)c1O ZINC001193096515 969500907 /nfs/dbraw/zinc/50/09/07/969500907.db2.gz XJFAGWQZBRZMMF-LBPRGKRZSA-N 1 0 360.414 1.137 20 10 FDCDRO Cc1cc(C[N@@H+]2CCN3CCOC[C@]3(CO)C2)ccc1N1CCCCC1 ZINC001198164354 972837651 /nfs/dbraw/zinc/83/76/51/972837651.db2.gz HYRNJEJJYOCAFM-OAQYLSRUSA-N 1 0 359.514 1.864 20 10 FDCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000863642289 973078419 /nfs/dbraw/zinc/07/84/19/973078419.db2.gz NVTJTFFARCPFJE-CABCVRRESA-N 1 0 351.834 1.803 20 10 FDCDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000864953555 973970936 /nfs/dbraw/zinc/97/09/36/973970936.db2.gz FSKRINQILRUVSO-NZSAHSFTSA-N 1 0 372.513 1.735 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)C2)cc1 ZINC000865609213 974384998 /nfs/dbraw/zinc/38/49/98/974384998.db2.gz TWEKKGXSSUOSDB-SJORKVTESA-N 1 0 371.485 1.939 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000865706150 974431165 /nfs/dbraw/zinc/43/11/65/974431165.db2.gz NUMLBIGEXAIKBG-UHFFFAOYSA-N 1 0 353.410 1.800 20 10 FDCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000865773610 974480356 /nfs/dbraw/zinc/48/03/56/974480356.db2.gz VYZUDYRORBKOHY-UHFFFAOYSA-N 1 0 355.394 1.742 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3csc(S(N)(=O)=O)c3)cc2)CC1 ZINC000865870828 974541103 /nfs/dbraw/zinc/54/11/03/974541103.db2.gz BZQPBMZTLUVQFQ-UHFFFAOYSA-N 1 0 366.512 1.759 20 10 FDCDRO S=C(NCC[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC001200434523 974788604 /nfs/dbraw/zinc/78/86/04/974788604.db2.gz WJAXBMZRRDUNMS-UHFFFAOYSA-N 1 0 362.543 1.973 20 10 FDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1OC ZINC000776223972 975182958 /nfs/dbraw/zinc/18/29/58/975182958.db2.gz QIPJCYZQHUCXJP-RISCZKNCSA-N 1 0 360.414 1.427 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847386181 975562992 /nfs/dbraw/zinc/56/29/92/975562992.db2.gz WBPAHLNXLRNIQP-ZYSHUDEJSA-N 1 0 360.502 1.452 20 10 FDCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc2c(cc1O)CCCC2 ZINC000866553468 975780233 /nfs/dbraw/zinc/78/02/33/975780233.db2.gz MGLGMFPRQZEVNK-JLTOFOAXSA-N 1 0 360.454 1.549 20 10 FDCDRO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591613 975877645 /nfs/dbraw/zinc/87/76/45/975877645.db2.gz XUGVNFQJANBODT-RBSFLKMASA-N 1 0 365.861 1.638 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848411532 976722957 /nfs/dbraw/zinc/72/29/57/976722957.db2.gz RCBYDJMNJGBLHE-TZIWHRDSSA-N 1 0 357.498 1.901 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848426903 976727703 /nfs/dbraw/zinc/72/77/03/976727703.db2.gz QMDFOCOJGSZMCI-KSSFIOAISA-N 1 0 366.845 1.937 20 10 FDCDRO Cn1c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cnc1Cl ZINC000848535773 976893498 /nfs/dbraw/zinc/89/34/98/976893498.db2.gz GQAXZPGRYMYJDA-UHFFFAOYSA-N 1 0 368.890 1.598 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3cc(=O)n(C)cn3)CC2)cc1 ZINC000848644042 976974709 /nfs/dbraw/zinc/97/47/09/976974709.db2.gz ZGTCHRCGFRTDOC-UHFFFAOYSA-N 1 0 357.458 1.413 20 10 FDCDRO [NH2+]=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)NC1CC1 ZINC000849008441 977289052 /nfs/dbraw/zinc/28/90/52/977289052.db2.gz GZLMUSRIIZXJOZ-UHFFFAOYSA-N 1 0 369.448 1.719 20 10 FDCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000868400699 977603179 /nfs/dbraw/zinc/60/31/79/977603179.db2.gz KEOKNGYMRJQWFZ-DOTOQJQBSA-N 1 0 358.486 1.583 20 10 FDCDRO COc1cncc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000850585986 978448031 /nfs/dbraw/zinc/44/80/31/978448031.db2.gz IDAFGVAMAZMQGH-MRXNPFEDSA-N 1 0 350.444 1.135 20 10 FDCDRO CO[C@@H](CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000850587200 978448915 /nfs/dbraw/zinc/44/89/15/978448915.db2.gz RRMZYQCXGYJESD-ROUUACIJSA-N 1 0 369.531 1.877 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CC4(CCC4)C3)cc2)C1 ZINC000851629709 978978614 /nfs/dbraw/zinc/97/86/14/978978614.db2.gz VDBXEBBFAZAMKJ-MRXNPFEDSA-N 1 0 370.497 1.666 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)cc1 ZINC000851639941 978981918 /nfs/dbraw/zinc/98/19/18/978981918.db2.gz NHWTXZYPPRRIME-LSDHHAIUSA-N 1 0 370.457 1.047 20 10 FDCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000851664314 978989302 /nfs/dbraw/zinc/98/93/02/978989302.db2.gz WLRNVLCFPIKBBP-IBGZPJMESA-N 1 0 360.502 1.964 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851689186 978999478 /nfs/dbraw/zinc/99/94/78/978999478.db2.gz LWWYIBISJODSBB-MAUKXSAKSA-N 1 0 374.485 1.024 20 10 FDCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851689707 978999952 /nfs/dbraw/zinc/99/99/52/978999952.db2.gz RYQUSJVPGDQAJG-GJZGRUSLSA-N 1 0 362.474 1.024 20 10 FDCDRO C[C@H]([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898302 979173173 /nfs/dbraw/zinc/17/31/73/979173173.db2.gz 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C[NH+]1CCN(c2ccc(CNC(=O)c3cn(C(C)(C)C)nn3)cc2)CC1 ZINC000881853635 980218296 /nfs/dbraw/zinc/21/82/96/980218296.db2.gz DBZCXAJTSZTBBZ-UHFFFAOYSA-N 1 0 356.474 1.715 20 10 FDCDRO Cn1nnc2c1nccc2C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853978 980218371 /nfs/dbraw/zinc/21/83/71/980218371.db2.gz QJTOPGWWEPQOHY-UHFFFAOYSA-N 1 0 365.441 1.045 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncnc4[nH]ccc43)cc2)CC1 ZINC000881854509 980219567 /nfs/dbraw/zinc/21/95/67/980219567.db2.gz DVASQVYCVVBTFK-UHFFFAOYSA-N 1 0 350.426 1.591 20 10 FDCDRO COCC1(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000882662868 980803405 /nfs/dbraw/zinc/80/34/05/980803405.db2.gz NGQYCPAAJDAJSK-UHFFFAOYSA-N 1 0 353.488 1.037 20 10 FDCDRO C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664183 980803900 /nfs/dbraw/zinc/80/39/00/980803900.db2.gz NMTCSOKHXRKAKM-HNNXBMFYSA-N 1 0 366.531 1.503 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCn3ccnc3)cc2)CC1 ZINC000883035509 981904308 /nfs/dbraw/zinc/90/43/08/981904308.db2.gz 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COc1ncc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426548 774585489 /nfs/dbraw/zinc/58/54/89/774585489.db2.gz JDLMTQDIHCTKGC-UHFFFAOYSA-N 1 0 358.402 1.757 20 10 FDCDRO Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1=O ZINC001167431105 774646208 /nfs/dbraw/zinc/64/62/08/774646208.db2.gz HFXZWWBGYXDHGU-UHFFFAOYSA-N 1 0 357.414 1.657 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1 ZINC000255305769 776787920 /nfs/dbraw/zinc/78/79/20/776787920.db2.gz CZXSKZOPJANBOR-GIFJBRJJSA-N 1 0 364.449 1.974 20 10 FDCDRO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891443029 777513478 /nfs/dbraw/zinc/51/34/78/777513478.db2.gz XBRPBKDQBVWUPM-OXFYSEKESA-N 1 0 358.486 1.835 20 10 FDCDRO CC(C)NC(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891762229 779296832 /nfs/dbraw/zinc/29/68/32/779296832.db2.gz CSMOUCQSEDLDMV-QGZVFWFLSA-N 1 0 363.506 1.569 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)c(OC)c1 ZINC000892037585 781316882 /nfs/dbraw/zinc/31/68/82/781316882.db2.gz GPJPIPHAZNNXOV-OAHLLOKOSA-N 1 0 364.490 1.909 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)c(OC)c1 ZINC000892077562 781463969 /nfs/dbraw/zinc/46/39/69/781463969.db2.gz JJLHIYBJTHEHII-HOCLYGCPSA-N 1 0 362.474 1.533 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)[C@@H](C)N(C)C3=O)CC2)cc1 ZINC000277389317 781659743 /nfs/dbraw/zinc/65/97/43/781659743.db2.gz NNGFOLCQUIHRMM-OAHLLOKOSA-N 1 0 360.458 1.490 20 10 FDCDRO COCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC[NH2+]CC1 ZINC000376021310 785557273 /nfs/dbraw/zinc/55/72/73/785557273.db2.gz KVZDZCAULRZFSP-UHFFFAOYSA-N 1 0 361.486 1.750 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377806109 792821506 /nfs/dbraw/zinc/82/15/06/792821506.db2.gz BCJMFHPAPTVTGF-DLBZAZTESA-N 1 0 361.461 1.914 20 10 FDCDRO COC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893121203 793086728 /nfs/dbraw/zinc/08/67/28/793086728.db2.gz PKYOUQXVERCOGS-WBVHZDCISA-N 1 0 352.479 1.052 20 10 FDCDRO CC(C)[C@]1(C)NC(=O)N(CN(C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000123277549 795687002 /nfs/dbraw/zinc/68/70/02/795687002.db2.gz UAADKDMLQKIWIT-FQEVSTJZSA-N 1 0 374.485 1.879 20 10 FDCDRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000759894337 796055050 /nfs/dbraw/zinc/05/50/50/796055050.db2.gz PJFPWDREXZYBHT-IBGZPJMESA-N 1 0 365.449 1.125 20 10 FDCDRO CCOC(=O)C1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000893607860 807042151 /nfs/dbraw/zinc/04/21/51/807042151.db2.gz MAEJZIXNCMCTRB-UHFFFAOYSA-N 1 0 359.470 1.788 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3c(C)ccnc3N)CC2)cc1 ZINC000894206262 810984458 /nfs/dbraw/zinc/98/44/58/810984458.db2.gz DSZLJBLUYVZMDL-UHFFFAOYSA-N 1 0 355.486 1.893 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419704852 812096003 /nfs/dbraw/zinc/09/60/03/812096003.db2.gz HKROEAMBKGGQBE-UHFFFAOYSA-N 1 0 354.454 1.529 20 10 FDCDRO C[NH+]1CCN(c2cc(CNC(=O)/C=C/c3ccc(O)c(O)c3)ccn2)CC1 ZINC000272490309 814726258 /nfs/dbraw/zinc/72/62/58/814726258.db2.gz RPQZIPTXLSCFGJ-HWKANZROSA-N 1 0 368.437 1.574 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@H+](C)CCO)cc1 ZINC000924998167 816193433 /nfs/dbraw/zinc/19/34/33/816193433.db2.gz HTLVZFASRKKURY-UHFFFAOYSA-N 1 0 357.454 1.489 20 10 FDCDRO COC(=O)c1c(C[NH2+]CC2(CO)CCOCC2)c2cc(F)ccc2n1C ZINC000894358634 817626080 /nfs/dbraw/zinc/62/60/80/817626080.db2.gz IUNHJLYJVZVPTE-UHFFFAOYSA-N 1 0 364.417 1.983 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894644848 818280047 /nfs/dbraw/zinc/28/00/47/818280047.db2.gz ZIEBUHYORBCOEW-CHWSQXEVSA-N 1 0 364.417 1.839 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3[nH]cnc3C2)[NH+](C)C)cc1 ZINC000894957023 819392909 /nfs/dbraw/zinc/39/29/09/819392909.db2.gz YMDLKLDYJZNCDF-KXBFYZLASA-N 1 0 370.501 1.935 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895394320 822576356 /nfs/dbraw/zinc/57/63/56/822576356.db2.gz NHHHXSHCBGSNMB-INIZCTEOSA-N 1 0 362.518 1.748 20 10 FDCDRO CCn1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000895750734 822729318 /nfs/dbraw/zinc/72/93/18/822729318.db2.gz NAZUQOUISITJDF-QGZVFWFLSA-N 1 0 359.478 1.466 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000895809103 822747861 /nfs/dbraw/zinc/74/78/61/822747861.db2.gz GKIJWZKRRDJCOC-FUHWJXTLSA-N 1 0 372.513 1.877 20 10 FDCDRO OCCOCC1(O)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000895829777 822762467 /nfs/dbraw/zinc/76/24/67/822762467.db2.gz VDHJFPWYZSWZRL-UHFFFAOYSA-N 1 0 360.248 1.491 20 10 FDCDRO COc1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000897053485 826831997 /nfs/dbraw/zinc/83/19/97/826831997.db2.gz SKPLYGCWMYSQEP-LBPRGKRZSA-N 1 0 356.488 1.809 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CCCCC3)cc2)CC1 ZINC000897313753 827899179 /nfs/dbraw/zinc/89/91/79/827899179.db2.gz NJESKLSORMHUTI-UHFFFAOYSA-N 1 0 358.486 1.504 20 10 FDCDRO C[C@@H]1COCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600576 832285759 /nfs/dbraw/zinc/28/57/59/832285759.db2.gz STHPXIHSERMQLH-MRXNPFEDSA-N 1 0 362.474 1.043 20 10 FDCDRO CN(C)c1ccc([C@H](CNc2nc3c(cnn3C)c(N)n2)[NH+](C)C)cc1 ZINC000897525066 836520343 /nfs/dbraw/zinc/52/03/43/836520343.db2.gz IWXZUFSJRSWRRT-HNNXBMFYSA-N 1 0 354.462 1.726 20 10 FDCDRO COC[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CCC[NH2+]1 ZINC000841995182 840555246 /nfs/dbraw/zinc/55/52/46/840555246.db2.gz RAAWBBUGNXDXAH-HNNXBMFYSA-N 1 0 372.263 1.723 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000842039863 840866006 /nfs/dbraw/zinc/86/60/06/840866006.db2.gz SMCXHQKMTJQQMF-UHFFFAOYSA-N 1 0 360.502 1.700 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000898352199 840988065 /nfs/dbraw/zinc/98/80/65/840988065.db2.gz XMQCCPKGJAJDKE-GXFFZTMASA-N 1 0 373.247 1.694 20 10 FDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898365194 840999852 /nfs/dbraw/zinc/99/98/52/840999852.db2.gz WFYCTPLXLHVPPN-SNVBAGLBSA-N 1 0 350.806 1.918 20 10 FDCDRO CN(C)c1ccc([C@H](CNCc2cn(C[C@H]3CCCO3)nn2)[NH+](C)C)cc1 ZINC000898447249 844713703 /nfs/dbraw/zinc/71/37/03/844713703.db2.gz IBSMNXYAUFLMRN-UXHICEINSA-N 1 0 372.517 1.916 20 10 FDCDRO C[C@]1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCC[NH2+]C1 ZINC000842170515 845242861 /nfs/dbraw/zinc/24/28/61/845242861.db2.gz HQQDVXALYJZQDO-FQEVSTJZSA-N 1 0 356.470 1.185 20 10 FDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842177455 845377895 /nfs/dbraw/zinc/37/78/95/845377895.db2.gz FSXPYPWNJDMMCB-ZIAGYGMSSA-N 1 0 352.454 1.488 20 10 FDCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000842210455 845622892 /nfs/dbraw/zinc/62/28/92/845622892.db2.gz AKGYMVDDEPEQOJ-UHFFFAOYSA-N 1 0 358.486 1.681 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1F ZINC000842210391 845622985 /nfs/dbraw/zinc/62/29/85/845622985.db2.gz ZVMPTTSEMZMYCM-UHFFFAOYSA-N 1 0 350.438 1.238 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cn(C)nn2)[NH+](C)C)cc1 ZINC000899097471 845759813 /nfs/dbraw/zinc/75/98/13/845759813.db2.gz AXWULODWGHHGOR-QGZVFWFLSA-N 1 0 359.478 1.325 20 10 FDCDRO CSC[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101918 845774473 /nfs/dbraw/zinc/77/44/73/845774473.db2.gz NEJWTTPYOJFLHD-AEFFLSMTSA-N 1 0 368.547 1.769 20 10 FDCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NCCF ZINC000899103554 845776465 /nfs/dbraw/zinc/77/64/65/845776465.db2.gz MUUBHCDOKQSYAA-CJNGLKHVSA-N 1 0 367.469 1.129 20 10 FDCDRO CCC[C@H](O)[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098813 845793060 /nfs/dbraw/zinc/79/30/60/845793060.db2.gz SMSHMHDRNRXRPF-BZSNNMDCSA-N 1 0 366.506 1.176 20 10 FDCDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000907272603 853975063 /nfs/dbraw/zinc/97/50/63/853975063.db2.gz GNUJXEHSNBXUSE-MRXNPFEDSA-N 1 0 363.502 1.951 20 10 FDCDRO C[C@@H]1CCN(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000908459276 855443789 /nfs/dbraw/zinc/44/37/89/855443789.db2.gz DVUMKERWFGTWNY-PBHICJAKSA-N 1 0 354.520 1.532 20 10 FDCDRO CO[C@@H](CS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000908460073 855444714 /nfs/dbraw/zinc/44/47/14/855444714.db2.gz MGEGRKCQUXSHMN-ROUUACIJSA-N 1 0 369.531 1.700 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911050392 858043538 /nfs/dbraw/zinc/04/35/38/858043538.db2.gz VLEAWBSMBNBKLH-INMHGKMJSA-N 1 0 360.502 1.080 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911049119 858087246 /nfs/dbraw/zinc/08/72/46/858087246.db2.gz OSYJCLFXWDRLRO-BPQIPLTHSA-N 1 0 372.513 1.176 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1F ZINC000911111349 858131977 /nfs/dbraw/zinc/13/19/77/858131977.db2.gz FMJSRGIMUWCONG-KUHUBIRLSA-N 1 0 362.449 1.238 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])ccc21 ZINC000911112370 858207308 /nfs/dbraw/zinc/20/73/08/858207308.db2.gz OODMBFMFMKRTKC-OXJNMPFZSA-N 1 0 356.470 1.025 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2)CC1 ZINC000911250340 858364642 /nfs/dbraw/zinc/36/46/42/858364642.db2.gz RBJHSTPJGBSLGH-QAQDUYKDSA-N 1 0 358.486 1.393 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2NCCOc3ccccc32)cc1 ZINC000911667187 858880049 /nfs/dbraw/zinc/88/00/49/858880049.db2.gz OTJDINZMEXZLJI-IEBWSBKVSA-N 1 0 354.454 1.592 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000262577662 881395033 /nfs/dbraw/zinc/39/50/33/881395033.db2.gz LITHVTXKPBSDRL-AEFFLSMTSA-N 1 0 358.486 1.260 20 10 FDCDRO CCN1C(=O)C(=CNC[C@@H](c2ccccc2)[NH+](C)C)C(=O)N(CC)C1=S ZINC000028976041 881416293 /nfs/dbraw/zinc/41/62/93/881416293.db2.gz HKPMXERJOZLXOQ-INIZCTEOSA-N 1 0 374.510 1.758 20 10 FDCDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000912709262 860053193 /nfs/dbraw/zinc/05/31/93/860053193.db2.gz DZJXBXCDKMEDGG-FQEVSTJZSA-N 1 0 361.486 1.111 20 10 FDCDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709627 860057555 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CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(C)c1 ZINC000765976838 873930032 /nfs/dbraw/zinc/93/00/32/873930032.db2.gz BLWDXPHYGQHRTP-SFHVURJKSA-N 1 0 362.499 1.896 20 10 FDCDRO C[N@H+](CCCO)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761898480 874800150 /nfs/dbraw/zinc/80/01/50/874800150.db2.gz QURLIRPGFHFNQI-UHFFFAOYSA-N 1 0 364.402 1.209 20 10 FDCDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000763022823 877585290 /nfs/dbraw/zinc/58/52/90/877585290.db2.gz YXRZKJRVZIIKMR-GOSISDBHSA-N 1 0 364.515 1.106 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cn4c(n3)CCCC4)cc2)CC1 ZINC000918838637 884953653 /nfs/dbraw/zinc/95/36/53/884953653.db2.gz LDKZAZGXEWANDW-UHFFFAOYSA-N 1 0 367.497 1.830 20 10 FDCDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000919654482 885982965 /nfs/dbraw/zinc/98/29/65/885982965.db2.gz LWVJYNUPARXFBG-SJORKVTESA-N 1 0 373.501 1.282 20 10 FDCDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000920460100 886955192 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FDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000824519267 946498288 /nfs/dbraw/zinc/49/82/88/946498288.db2.gz ZFDOAWGMYARGPA-MRXNPFEDSA-N 1 0 364.490 1.399 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914146 946856180 /nfs/dbraw/zinc/85/61/80/946856180.db2.gz NBJGEQWSFIOMNZ-IBGZPJMESA-N 1 0 365.543 1.838 20 10 FDCDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000825399669 947224251 /nfs/dbraw/zinc/22/42/51/947224251.db2.gz ALGSCAILYFXXMR-GXTWGEPZSA-N 1 0 357.248 1.880 20 10 FDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]C1 ZINC000844175990 947817352 /nfs/dbraw/zinc/81/73/52/947817352.db2.gz OIMUEKFCDYOYJS-OXQOHEQNSA-N 1 0 358.486 1.394 20 10 FDCDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844222390 947855977 /nfs/dbraw/zinc/85/59/77/947855977.db2.gz DBKHKLOYQVBWIJ-GOSISDBHSA-N 1 0 360.502 1.418 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000844224129 947856308 /nfs/dbraw/zinc/85/63/08/947856308.db2.gz GEPKJUMPNLOOPZ-KSZLIROESA-N 1 0 374.529 1.649 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000844224665 947858256 /nfs/dbraw/zinc/85/82/56/947858256.db2.gz TUQYIWOCZHFOGA-HXUWFJFHSA-N 1 0 367.497 1.753 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000844401221 948030014 /nfs/dbraw/zinc/03/00/14/948030014.db2.gz KZGPHAKSCHAVPX-UHFFFAOYSA-N 1 0 356.488 1.003 20 10 FDCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC001091077653 949016889 /nfs/dbraw/zinc/01/68/89/949016889.db2.gz XOYVIKKHOGYMED-TXIZYHGNSA-N 1 0 362.470 1.792 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857101868 971581062 /nfs/dbraw/zinc/58/10/62/971581062.db2.gz MNSOBZJOUPMIMK-XPIZARPCSA-N 1 0 372.513 1.448 20 10 FDCDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)nn1 ZINC001144503744 949713793 /nfs/dbraw/zinc/71/37/93/949713793.db2.gz BMYVHARZOMCBST-ZIAGYGMSSA-N 1 0 356.426 1.860 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c(O)c1 ZINC001144509106 949784657 /nfs/dbraw/zinc/78/46/57/949784657.db2.gz LFDQWKQWUQMKDS-CDHAZOANSA-N 1 0 373.409 1.652 20 10 FDCDRO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509717 949786200 /nfs/dbraw/zinc/78/62/00/949786200.db2.gz JGFXWLVHCXGXIW-JXFKEZNVSA-N 1 0 354.406 1.909 20 10 FDCDRO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509720 949786970 /nfs/dbraw/zinc/78/69/70/949786970.db2.gz JGFXWLVHCXGXIW-UZLBHIALSA-N 1 0 354.406 1.909 20 10 FDCDRO O=c1c2ccccc2nnn1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515574 949805949 /nfs/dbraw/zinc/80/59/49/949805949.db2.gz QUQGLRPFYPWZHK-UHFFFAOYSA-N 1 0 368.393 1.745 20 10 FDCDRO Cc1nonc1CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000845914043 950083425 /nfs/dbraw/zinc/08/34/25/950083425.db2.gz ZNFOMTIXJVLUEJ-UHFFFAOYSA-N 1 0 369.469 1.769 20 10 FDCDRO Cn1nccc1[C@@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846114608 950513694 /nfs/dbraw/zinc/51/36/94/950513694.db2.gz FSMHGLNILUQHLG-FQEVSTJZSA-N 1 0 355.486 1.745 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1O ZINC000846148163 950561901 /nfs/dbraw/zinc/56/19/01/950561901.db2.gz XVIIXPLTOCQWRQ-CYBMUJFWSA-N 1 0 356.488 1.560 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001144852843 951224819 /nfs/dbraw/zinc/22/48/19/951224819.db2.gz LKEVCRSPMPGYEI-AWEZNQCLSA-N 1 0 363.508 1.628 20 10 FDCDRO COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC001148219960 952652612 /nfs/dbraw/zinc/65/26/12/952652612.db2.gz IHFRFUWCFZITIN-HXUWFJFHSA-N 1 0 370.405 1.645 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001086886231 952939367 /nfs/dbraw/zinc/93/93/67/952939367.db2.gz SFNZKYJANHKFIL-UHIISALHSA-N 1 0 360.418 1.211 20 10 FDCDRO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C)cc12 ZINC001184362319 963543049 /nfs/dbraw/zinc/54/30/49/963543049.db2.gz PNWWZGCBXTUDHM-CYBMUJFWSA-N 1 0 361.442 1.305 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775257335 967016816 /nfs/dbraw/zinc/01/68/16/967016816.db2.gz HLSYREXCKVRVRO-HNNXBMFYSA-N 1 0 374.485 1.942 20 10 FDCDRO C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000852796126 967613366 /nfs/dbraw/zinc/61/33/66/967613366.db2.gz OTZYJVBGMADRML-GDBMZVCRSA-N 1 0 369.469 1.814 20 10 FDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000852861453 967667058 /nfs/dbraw/zinc/66/70/58/967667058.db2.gz VUVSEZMVOJQKPD-WBVHZDCISA-N 1 0 358.486 1.393 20 10 FDCDRO CN1CCCc2cc(CNC(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)ccc21 ZINC000852863881 967669398 /nfs/dbraw/zinc/66/93/98/967669398.db2.gz STBQMLVSZLKDFZ-QGZVFWFLSA-N 1 0 368.485 1.905 20 10 FDCDRO CC(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000775422946 968185889 /nfs/dbraw/zinc/18/58/89/968185889.db2.gz NCXKJHUDGHIEPP-FQEVSTJZSA-N 1 0 374.529 1.948 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnc(=O)[nH]c3)CC2)cc1 ZINC001191183622 968353084 /nfs/dbraw/zinc/35/30/84/968353084.db2.gz MONJPPPIYPDNTM-UHFFFAOYSA-N 1 0 371.441 1.133 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nccnc3C)CC2)cc1 ZINC000854310064 968763553 /nfs/dbraw/zinc/76/35/53/968763553.db2.gz QAXWAFCNMKQIQP-UHFFFAOYSA-N 1 0 369.469 1.736 20 10 FDCDRO COc1ccnc(N(C(=O)c2cc(O)c(O)c(OC)c2)C2CC[NH2+]CC2)c1 ZINC001193096822 969501089 /nfs/dbraw/zinc/50/10/89/969501089.db2.gz BGSRPBFNUCOERR-UHFFFAOYSA-N 1 0 373.409 1.909 20 10 FDCDRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000794804405 973980569 /nfs/dbraw/zinc/98/05/69/973980569.db2.gz DTTJNRMUFMZMIP-MRXNPFEDSA-N 1 0 355.504 1.319 20 10 FDCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)C2)cc1 ZINC000865622102 974389416 /nfs/dbraw/zinc/38/94/16/974389416.db2.gz LQUSTPAXJCVCLX-HOTGVXAUSA-N 1 0 357.458 1.692 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000865707638 974432840 /nfs/dbraw/zinc/43/28/40/974432840.db2.gz UNRRVIWMMSCXSM-UHFFFAOYSA-N 1 0 367.265 1.192 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C[C@@H](C)O)C3CC3)CC2)cc1 ZINC000847097405 975328862 /nfs/dbraw/zinc/32/88/62/975328862.db2.gz WHPUWMYZCZYPDI-VQIMIIECSA-N 1 0 363.502 1.023 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848596631 976933827 /nfs/dbraw/zinc/93/38/27/976933827.db2.gz YVJWYFZYICLPML-AWEZNQCLSA-N 1 0 360.380 1.554 20 10 FDCDRO COCC1(C[NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000848677139 976992273 /nfs/dbraw/zinc/99/22/73/976992273.db2.gz BJVGUGJZACHVLZ-GOSISDBHSA-N 1 0 363.502 1.194 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])N3CCSCC3)CC2)cc1 ZINC000849067254 977300839 /nfs/dbraw/zinc/30/08/39/977300839.db2.gz QWAWMNDSTBMLBX-UHFFFAOYSA-N 1 0 363.531 1.390 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])N3CCO[C@@H](C)C3)CC2)cc1 ZINC000849095242 977313540 /nfs/dbraw/zinc/31/35/40/977313540.db2.gz OJYSZEATVFOKKT-INIZCTEOSA-N 1 0 361.490 1.062 20 10 FDCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327682 977429664 /nfs/dbraw/zinc/42/96/64/977429664.db2.gz UHMRVSKACNKTQJ-SFHVURJKSA-N 1 0 370.515 1.187 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000868356696 977524738 /nfs/dbraw/zinc/52/47/38/977524738.db2.gz DKVQHRYZPUSCTF-NRFANRHFSA-N 1 0 374.529 1.935 20 10 FDCDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1O ZINC000868375116 977560636 /nfs/dbraw/zinc/56/06/36/977560636.db2.gz NFNODIPUOYIFOF-HOTGVXAUSA-N 1 0 362.474 1.159 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850059974 978133639 /nfs/dbraw/zinc/13/36/39/978133639.db2.gz PGYISQWRYJTGJY-PAYONLEZSA-N 1 0 359.470 1.676 20 10 FDCDRO CCCn1nccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850135762 978197189 /nfs/dbraw/zinc/19/71/89/978197189.db2.gz QHGGBPNUKVDXBG-UHFFFAOYSA-N 1 0 362.499 1.818 20 10 FDCDRO [NH3+]C1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCC1 ZINC000851661164 978988324 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10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)n1-c1ccc(C)cc1 ZINC000880982163 979560438 /nfs/dbraw/zinc/56/04/38/979560438.db2.gz KURDVLIHLSIELT-INIZCTEOSA-N 1 0 367.453 1.739 20 10 FDCDRO Cc1cc(C(=O)Cn2cc([C@H]([NH3+])CO)nn2)c(C)n1-c1ccc(F)cc1 ZINC000880983153 979561892 /nfs/dbraw/zinc/56/18/92/979561892.db2.gz UJBPQONHMUEICW-MRXNPFEDSA-N 1 0 357.389 1.700 20 10 FDCDRO CC(=O)c1cc(Cl)cc(Cn2cc(CN(C)CCC[NH3+])nn2)c1O ZINC000880999964 979569786 /nfs/dbraw/zinc/56/97/86/979569786.db2.gz WAOXSVWHAMUGJE-UHFFFAOYSA-N 1 0 351.838 1.669 20 10 FDCDRO CC1=C(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)OC1(C)C ZINC000881851760 980214273 /nfs/dbraw/zinc/21/42/73/980214273.db2.gz QCAGBCDVDJHQCR-UHFFFAOYSA-N 1 0 357.454 1.707 20 10 FDCDRO CC(C)NC(=O)CCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851520 980214510 /nfs/dbraw/zinc/21/45/10/980214510.db2.gz MDGIKCXVPVRLDJ-UHFFFAOYSA-N 1 0 360.502 1.750 20 10 FDCDRO Cn1nnc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC000881852177 980215245 /nfs/dbraw/zinc/21/52/45/980215245.db2.gz IBSZEOBKGLBOOL-UHFFFAOYSA-N 1 0 364.453 1.650 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(=O)NCC(F)(F)F)cc2)CC1 ZINC000881852608 980216249 /nfs/dbraw/zinc/21/62/49/980216249.db2.gz XTSKYDMQFMXRQP-UHFFFAOYSA-N 1 0 372.391 1.123 20 10 FDCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000881853772 980218447 /nfs/dbraw/zinc/21/84/47/980218447.db2.gz KEMSZRZKQYEPQT-GOSISDBHSA-N 1 0 357.458 1.176 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3Cc4ccncc4C3)CC2)cc1 ZINC000857877088 981721989 /nfs/dbraw/zinc/72/19/89/981721989.db2.gz ATHJJIAGSICUDZ-HXUWFJFHSA-N 1 0 368.481 1.589 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)OCO2 ZINC000858306829 981977500 /nfs/dbraw/zinc/97/75/00/981977500.db2.gz TYXRVRJFEPDTPS-INIZCTEOSA-N 1 0 357.410 1.507 20 10 FDCDRO C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883143228 981978208 /nfs/dbraw/zinc/97/82/08/981978208.db2.gz FCTCYVQBJDQNFJ-INIZCTEOSA-N 1 0 356.474 1.523 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3COC(C)(C)OC3)cc2)CC1 ZINC000883614012 982310691 /nfs/dbraw/zinc/31/06/91/982310691.db2.gz VYZQGBPMIRLBIS-UHFFFAOYSA-N 1 0 362.474 1.389 20 10 FDCDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000858932846 982381817 /nfs/dbraw/zinc/38/18/17/982381817.db2.gz FXIKYQHVYLAQTQ-IBGZPJMESA-N 1 0 360.502 1.789 20 10 FDCDRO CCn1ncc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883789841 982469748 /nfs/dbraw/zinc/46/97/48/982469748.db2.gz AFQMLARVQBUXRA-UHFFFAOYSA-N 1 0 357.462 1.049 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC[C@@H]3CCOC3=O)cc2)CC1 ZINC000883809722 982488010 /nfs/dbraw/zinc/48/80/10/982488010.db2.gz PSRMDKPPTIENCC-QGZVFWFLSA-N 1 0 374.485 1.581 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C4CC4)nn3)cc2F)CC1 ZINC000859260736 982654714 /nfs/dbraw/zinc/65/47/14/982654714.db2.gz DHLCTVYKXUINJB-UHFFFAOYSA-N 1 0 372.448 1.824 20 10 FDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000889041481 982778893 /nfs/dbraw/zinc/77/88/93/982778893.db2.gz FRTJBTYCWMAJEN-AWEZNQCLSA-N 1 0 361.490 1.138 20 10 FDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000884196688 982972497 /nfs/dbraw/zinc/97/24/97/982972497.db2.gz XXEWEGCJVMZYNK-WMZOPIPTSA-N 1 0 360.502 1.639 20 10 FDCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000653163160 1014923170 /nfs/dbraw/zinc/92/31/70/1014923170.db2.gz JMXBBLQBLPHEHR-OAHLLOKOSA-N 1 0 357.454 1.633 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884531339 983223512 /nfs/dbraw/zinc/22/35/12/983223512.db2.gz JQOJLRRMZYEDJC-NRFANRHFSA-N 1 0 374.529 1.901 20 10 FDCDRO C[C@H]1CC[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[NH2+]1 ZINC000861638022 983798502 /nfs/dbraw/zinc/79/85/02/983798502.db2.gz UWBNYEJDPLAUQU-GXTWGEPZSA-N 1 0 368.428 1.741 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861792342 983923828 /nfs/dbraw/zinc/92/38/28/983923828.db2.gz SMDCPSHVZWTQBQ-QGZVFWFLSA-N 1 0 359.470 1.922 20 10 FDCDRO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC[NH+](C)CC1 ZINC000861894621 983979054 /nfs/dbraw/zinc/97/90/54/983979054.db2.gz HHYGZZRPLHSXLS-UHFFFAOYSA-N 1 0 355.460 1.320 20 10 FDCDRO C[NH+](C)CCN1CCN(Cc2c(O)cccc2Br)CC1=O ZINC000862401724 984376449 /nfs/dbraw/zinc/37/64/49/984376449.db2.gz SNIYACLDTCGPLM-UHFFFAOYSA-N 1 0 356.264 1.361 20 10 FDCDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000884694651 984701523 /nfs/dbraw/zinc/70/15/23/984701523.db2.gz SKXVQFAWQPALJL-HNNXBMFYSA-N 1 0 367.453 1.060 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1F ZINC000886284101 986021956 /nfs/dbraw/zinc/02/19/56/986021956.db2.gz NNFJOWIWQKRCJV-UHFFFAOYSA-N 1 0 372.448 1.746 20 10 FDCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000886525941 986337129 /nfs/dbraw/zinc/33/71/29/986337129.db2.gz BIGOGABTAKPUBS-JKSUJKDBSA-N 1 0 366.483 1.353 20 10 FDCDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886751040 986548340 /nfs/dbraw/zinc/54/83/40/986548340.db2.gz FYUMQHSJXNOVBE-IRXDYDNUSA-N 1 0 359.470 1.820 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000872221764 987524020 /nfs/dbraw/zinc/52/40/20/987524020.db2.gz JRDRWCZSGZJPNG-JSFADZTLSA-N 1 0 363.502 1.334 20 10 FDCDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000365987496 988284472 /nfs/dbraw/zinc/28/44/72/988284472.db2.gz JCQKGMKJNMSKES-SFHVURJKSA-N 1 0 365.449 1.388 20 10 FDCDRO COc1ccc(C[NH2+]CCN2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000873044476 988471963 /nfs/dbraw/zinc/47/19/63/988471963.db2.gz OJQVFBDRPMXDIB-UHFFFAOYSA-N 1 0 364.471 1.065 20 10 FDCDRO COc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1Cn1cccn1 ZINC000873097797 988538969 /nfs/dbraw/zinc/53/89/69/988538969.db2.gz GDMGILAAYORQPO-UHFFFAOYSA-N 1 0 363.483 1.854 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)c3cnn(C)c3C)CC2)cc1 ZINC000299500837 988545693 /nfs/dbraw/zinc/54/56/93/988545693.db2.gz MOVLLUDZHGQBLZ-UHFFFAOYSA-N 1 0 357.458 1.289 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000297717627 989655547 /nfs/dbraw/zinc/65/55/47/989655547.db2.gz DSDCNDKOZBLALG-MJGOQNOKSA-N 1 0 372.513 1.654 20 10 FDCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297966613 989801771 /nfs/dbraw/zinc/80/17/71/989801771.db2.gz VPLUSZPWRUVDEW-MOPGFXCFSA-N 1 0 372.513 1.796 20 10 FDCDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000874154237 989813060 /nfs/dbraw/zinc/81/30/60/989813060.db2.gz BWEVUDNNRKNIHX-UHFFFAOYSA-N 1 0 361.486 1.498 20 10 FDCDRO C[NH+](C)CCOc1cc(CNC(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000875437093 991541113 /nfs/dbraw/zinc/54/11/13/991541113.db2.gz RQHLVMZIBFOXAW-UHFFFAOYSA-N 1 0 356.426 1.953 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NC3CCN(CC[NH+](C)C)CC3)ccc21 ZINC000125416943 991545599 /nfs/dbraw/zinc/54/55/99/991545599.db2.gz LRPCOMUDRDYKFX-UHFFFAOYSA-N 1 0 373.545 1.894 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CNC(=O)c3ccccc32)cc1 ZINC000876505882 992671436 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CN1CCN(c2ccc(C[NH2+]CCN3CCSCC3)cc2F)CC1 ZINC001200345214 974751621 /nfs/dbraw/zinc/75/16/21/974751621.db2.gz CEAZOHDLUFPYGH-UHFFFAOYSA-N 1 0 352.523 1.716 20 10 FDCDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000106819042 975561632 /nfs/dbraw/zinc/56/16/32/975561632.db2.gz SIOFEDGYCWRGJS-HNNXBMFYSA-N 1 0 355.486 1.855 20 10 FDCDRO C[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)NC(N)=O ZINC000847591180 975876194 /nfs/dbraw/zinc/87/61/94/975876194.db2.gz RGMZUDIPCNFDMX-BXUZGUMPSA-N 1 0 368.865 1.573 20 10 FDCDRO CN1CC[NH+]=C1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000849050044 977292835 /nfs/dbraw/zinc/29/28/35/977292835.db2.gz NHPMOEJEMCEMQY-UHFFFAOYSA-N 1 0 369.448 1.333 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000849070440 977301545 /nfs/dbraw/zinc/30/15/45/977301545.db2.gz MOFXVUKZRFBVKP-OAHLLOKOSA-N 1 0 361.515 1.461 20 10 FDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565366 977760249 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Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])CO)nn2)c(C)n1-c1cccc(F)c1 ZINC000881035438 979597777 /nfs/dbraw/zinc/59/77/77/979597777.db2.gz GPWGRSVWYHLFLM-INIZCTEOSA-N 1 0 357.389 1.700 20 10 FDCDRO CC(C)CCC(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851203 980213029 /nfs/dbraw/zinc/21/30/29/980213029.db2.gz GBRCZFTXNPCYAH-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO Cn1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C1CC1 ZINC000881851749 980214362 /nfs/dbraw/zinc/21/43/62/980214362.db2.gz PRHKTBBXWFIQAX-UHFFFAOYSA-N 1 0 353.470 1.979 20 10 FDCDRO Cn1nc(C2CC2)nc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853183 980217242 /nfs/dbraw/zinc/21/72/42/980217242.db2.gz MPWHEBMDTDIBNE-UHFFFAOYSA-N 1 0 368.485 1.303 20 10 FDCDRO COC(=O)c1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c[nH]1 ZINC000881853545 980218253 /nfs/dbraw/zinc/21/82/53/980218253.db2.gz ZSRPDAOTUQXDDY-UHFFFAOYSA-N 1 0 356.426 1.483 20 10 FDCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858144031 981860418 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CS[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883442453 982148278 /nfs/dbraw/zinc/14/82/78/982148278.db2.gz LRHRILCZJDLVRN-RHSMWYFYSA-N 1 0 366.531 1.350 20 10 FDCDRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883571647 982273955 /nfs/dbraw/zinc/27/39/55/982273955.db2.gz LUPQGTQCKWPSRF-ROUUACIJSA-N 1 0 373.501 1.152 20 10 FDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000883686782 982376911 /nfs/dbraw/zinc/37/69/11/982376911.db2.gz RZAFOUNBFYXNBQ-CQSZACIVSA-N 1 0 368.428 1.695 20 10 FDCDRO C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883694039 982382752 /nfs/dbraw/zinc/38/27/52/982382752.db2.gz RIMGNIGYSMITTQ-SJLPKXTDSA-N 1 0 360.502 1.910 20 10 FDCDRO CCOc1cccc(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)c1O ZINC000133920359 982954957 /nfs/dbraw/zinc/95/49/57/982954957.db2.gz ZKHUKZVXIZMBSI-UHFFFAOYSA-N 1 0 368.441 1.859 20 10 FDCDRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884520662 983216547 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359.470 1.650 20 10 FDCDRO O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000923614102 985296848 /nfs/dbraw/zinc/29/68/48/985296848.db2.gz HITJPIDBRYFITK-SFHVURJKSA-N 1 0 367.515 1.067 20 10 FDCDRO CC[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(N(C)C)cc1 ZINC000886696297 986480742 /nfs/dbraw/zinc/48/07/42/986480742.db2.gz KYOYVFZWSOYYFW-INIZCTEOSA-N 1 0 354.458 1.777 20 10 FDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749137 986545812 /nfs/dbraw/zinc/54/58/12/986545812.db2.gz KHKINKOUPIGBPH-AWEZNQCLSA-N 1 0 367.515 1.301 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000872200622 987511889 /nfs/dbraw/zinc/51/18/89/987511889.db2.gz SXQDEZXAYOMTGH-GOSISDBHSA-N 1 0 364.486 1.546 20 10 FDCDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000872200895 987511964 /nfs/dbraw/zinc/51/19/64/987511964.db2.gz MFAJRWWOJQAHIJ-VQIMIIECSA-N 1 0 352.450 1.664 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000872200623 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CCOc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000368191674 677498727 /nfs/dbraw/zinc/49/87/27/677498727.db2.gz UOCDZYRVHRHFIV-UHFFFAOYSA-N 1 0 357.476 1.105 20 10 FDCDRO COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000370578897 677594097 /nfs/dbraw/zinc/59/40/97/677594097.db2.gz DQKWOOMDZKQSAQ-SMDDNHRTSA-N 1 0 361.364 1.501 20 10 FDCDRO CCOc1cccc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000377201634 678481230 /nfs/dbraw/zinc/48/12/30/678481230.db2.gz NCEHIDOUZKMCKB-MRXNPFEDSA-N 1 0 368.499 1.532 20 10 FDCDRO COc1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1O ZINC000377350550 678525303 /nfs/dbraw/zinc/52/53/03/678525303.db2.gz NMTIQEDAYZOCRW-HNNXBMFYSA-N 1 0 362.451 1.954 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@]1(N3CCOCC3)CCCOC1)OCO2 ZINC000378149121 678704924 /nfs/dbraw/zinc/70/49/24/678704924.db2.gz IRYSVAUIPYOCQI-GOSISDBHSA-N 1 0 350.415 1.092 20 10 FDCDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000890881788 772008185 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COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000796196430 1014040795 /nfs/dbraw/zinc/04/07/95/1014040795.db2.gz DYJSLENBGNXCBE-MOPGFXCFSA-N 1 0 363.502 1.289 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)cc1F ZINC000863969285 973339784 /nfs/dbraw/zinc/33/97/84/973339784.db2.gz UELLLFIJZAIDJU-INIZCTEOSA-N 1 0 368.449 1.249 20 10 FDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000847366659 975537600 /nfs/dbraw/zinc/53/76/00/975537600.db2.gz LBJWZLLEFWVEOA-NVXWUHKLSA-N 1 0 358.486 1.346 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)NC(N)=O)cc2F)CC1 ZINC000847454544 975646741 /nfs/dbraw/zinc/64/67/41/975646741.db2.gz KTDJXUKANQJXRE-CYBMUJFWSA-N 1 0 365.453 1.031 20 10 FDCDRO COc1ccc(N2CCCN(S(=O)(=O)CCC[NH+](C)C)CC2)cc1 ZINC000866560194 975791889 /nfs/dbraw/zinc/79/18/89/975791889.db2.gz MLPYSSRFFKAOEH-UHFFFAOYSA-N 1 0 355.504 1.489 20 10 FDCDRO C[NH+](C)CCn1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000847603612 975896065 /nfs/dbraw/zinc/89/60/65/975896065.db2.gz DUPABVUGRXQZJH-QGZVFWFLSA-N 1 0 372.469 1.972 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnc(Cl)n3C)CC2)cc1 ZINC000848531893 976891579 /nfs/dbraw/zinc/89/15/79/976891579.db2.gz VTPSTIRRISVYOB-UHFFFAOYSA-N 1 0 363.893 1.994 20 10 FDCDRO [NH3+]C[C@@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000848597740 976933508 /nfs/dbraw/zinc/93/35/08/976933508.db2.gz BSTZSJRWRRCJLE-MRVPVSSYSA-N 1 0 356.142 1.844 20 10 FDCDRO COc1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1F ZINC000848599646 976937116 /nfs/dbraw/zinc/93/71/16/976937116.db2.gz CKOHJYGEBRTULE-CQSZACIVSA-N 1 0 367.446 1.879 20 10 FDCDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868300376 977470748 /nfs/dbraw/zinc/47/07/48/977470748.db2.gz YKVWZYLWXKORNF-UHFFFAOYSA-N 1 0 353.378 1.355 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868357276 977526283 /nfs/dbraw/zinc/52/62/83/977526283.db2.gz SLPSAPAYKSJUSX-HDICACEKSA-N 1 0 370.497 1.598 20 10 FDCDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000850091187 978148873 /nfs/dbraw/zinc/14/88/73/978148873.db2.gz ZWJATKHZMPSCAL-ZYSHUDEJSA-N 1 0 361.486 1.604 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]C3CCCC3)CC2)cc1 ZINC000850366071 978340402 /nfs/dbraw/zinc/34/04/02/978340402.db2.gz ZSWDKRBMGBTZBQ-UHFFFAOYSA-N 1 0 367.515 1.679 20 10 FDCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1(=O)=O ZINC000850370028 978342879 /nfs/dbraw/zinc/34/28/79/978342879.db2.gz YWSUVFWRNVXAAE-HIFRSBDPSA-N 1 0 356.463 1.718 20 10 FDCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000850436907 978370833 /nfs/dbraw/zinc/37/08/33/978370833.db2.gz WYMAOQJCNYBTSO-HNNXBMFYSA-N 1 0 352.500 1.969 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850803737 978677406 /nfs/dbraw/zinc/67/74/06/978677406.db2.gz SKGRJZNCVBOXDH-GOSISDBHSA-N 1 0 369.421 1.650 20 10 FDCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000776499230 978703128 /nfs/dbraw/zinc/70/31/28/978703128.db2.gz UDORZDOLMTYVCX-WMLDXEAASA-N 1 0 355.456 1.617 20 10 FDCDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000851678949 978994218 /nfs/dbraw/zinc/99/42/18/978994218.db2.gz PCOGDDYFHLXUGI-UHFFFAOYSA-N 1 0 357.414 1.225 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851686010 978997628 /nfs/dbraw/zinc/99/76/28/978997628.db2.gz VORVCGPHXQXRKF-ALKREAHSSA-N 1 0 374.529 1.694 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1 ZINC000851713391 979010900 /nfs/dbraw/zinc/01/09/00/979010900.db2.gz CWFDRIIWSJHOSF-HXUWFJFHSA-N 1 0 355.438 1.190 20 10 FDCDRO NC(=O)[C@](O)(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000851840935 979094840 /nfs/dbraw/zinc/09/48/40/979094840.db2.gz MFNADPRYRSTOJQ-RXVVDRJESA-N 1 0 370.449 1.746 20 10 FDCDRO CC[C@](C)([NH3+])c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022771 979589839 /nfs/dbraw/zinc/58/98/39/979589839.db2.gz DEPAUTDQWFDNGD-IBGZPJMESA-N 1 0 372.473 1.219 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000881851794 980214100 /nfs/dbraw/zinc/21/41/00/980214100.db2.gz RHIXRCPYSGNJHZ-UHFFFAOYSA-N 1 0 372.429 1.250 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCCc3c[nH]nn3)cc2)CC1 ZINC000881852312 980215485 /nfs/dbraw/zinc/21/54/85/980215485.db2.gz LOAHFONMVHKEBT-UHFFFAOYSA-N 1 0 356.474 1.586 20 10 FDCDRO C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662268 980801937 /nfs/dbraw/zinc/80/19/37/980801937.db2.gz CZFOYELDUSCRPP-RHSMWYFYSA-N 1 0 353.488 1.035 20 10 FDCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1 ZINC000858224149 981926570 /nfs/dbraw/zinc/92/65/70/981926570.db2.gz WZIBYDZPZVIXNK-KOXUSJRISA-N 1 0 359.514 1.971 20 10 FDCDRO CC(=O)N1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883078514 981927247 /nfs/dbraw/zinc/92/72/47/981927247.db2.gz TXZMAFGRXVFZAO-UHFFFAOYSA-N 1 0 373.501 1.249 20 10 FDCDRO Cn1ccc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883616699 982314436 /nfs/dbraw/zinc/31/44/36/982314436.db2.gz PTPQBVHXDGFBMV-UHFFFAOYSA-N 1 0 356.474 1.214 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncn(C)n1 ZINC000883635554 982330981 /nfs/dbraw/zinc/33/09/81/982330981.db2.gz UVAOOEGSLPXMHK-AWEZNQCLSA-N 1 0 357.462 1.127 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000884010491 982699782 /nfs/dbraw/zinc/69/97/82/982699782.db2.gz DQLUCTRDNURIOB-BDVYOWHSSA-N 1 0 367.515 1.472 20 10 FDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000884195703 982971760 /nfs/dbraw/zinc/97/17/60/982971760.db2.gz WSBRTUONBMSPMG-KRWDZBQOSA-N 1 0 367.515 1.172 20 10 FDCDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000884201465 982976198 /nfs/dbraw/zinc/97/61/98/982976198.db2.gz YTFICTQHGYJBOE-KRWDZBQOSA-N 1 0 373.501 1.282 20 10 FDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000861561934 983778796 /nfs/dbraw/zinc/77/87/96/983778796.db2.gz IPKNNFMJVWWJCN-AYMQEEERSA-N 1 0 364.465 1.989 20 10 FDCDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[NH2+]1 ZINC000861561906 983778809 /nfs/dbraw/zinc/77/88/09/983778809.db2.gz IFUDDFRXTAFZON-UKRRQHHQSA-N 1 0 350.438 1.602 20 10 FDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000861564331 983780123 /nfs/dbraw/zinc/78/01/23/983780123.db2.gz KSYZQYXTXUEPAW-RYQLBKOJSA-N 1 0 373.501 1.328 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(N(C)C)cc1 ZINC000861768095 983909818 /nfs/dbraw/zinc/90/98/18/983909818.db2.gz WRHZPXAIYVVELR-PNHOKKKMSA-N 1 0 358.486 1.388 20 10 FDCDRO COc1cc(O)c(CNC(c2ccnn2C)c2ccnn2C)cc1OC ZINC000862538610 984407489 /nfs/dbraw/zinc/40/74/89/984407489.db2.gz BWPKDIUKGVQCTQ-UHFFFAOYSA-N 1 0 357.414 1.756 20 10 FDCDRO CCCOc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1C ZINC000886282915 986020225 /nfs/dbraw/zinc/02/02/25/986020225.db2.gz ZZHZLSIWACTHCD-UHFFFAOYSA-N 1 0 355.442 1.858 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 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FDCDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000842170614 845203728 /nfs/dbraw/zinc/20/37/28/845203728.db2.gz KXFVPPDXMNBGPQ-OAHLLOKOSA-N 1 0 356.470 1.265 20 10 FDCDRO COC[C@@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097719 845761405 /nfs/dbraw/zinc/76/14/05/845761405.db2.gz FXVFPWNIPQUBOS-KSZLIROESA-N 1 0 364.490 1.147 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(=O)N(C3CC3)C2)[NH+](C)C)cc1 ZINC000899097895 845772628 /nfs/dbraw/zinc/77/26/28/845772628.db2.gz IOBVZLUEHQLWCZ-KRWDZBQOSA-N 1 0 359.474 1.329 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000899104167 845777232 /nfs/dbraw/zinc/77/72/32/845777232.db2.gz QFYHEGSVULWSDA-SFHVURJKSA-N 1 0 356.474 1.846 20 10 FDCDRO CNC(=O)CCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105192 845779421 /nfs/dbraw/zinc/77/94/21/845779421.db2.gz VDHINJRYAMKIJG-QGZVFWFLSA-N 1 0 363.506 1.523 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)c2ccnn2C)[NH+](C)C)cc1 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RCCVQBFMKMEZJK-KRWDZBQOSA-N 1 0 352.500 1.232 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN[C@H](C(N)=O)c3ccc(F)cc3)cc2)CC1 ZINC000905790729 852262276 /nfs/dbraw/zinc/26/22/76/852262276.db2.gz ZYSRNVIELIJFNX-IBGZPJMESA-N 1 0 356.445 1.894 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)cc1 ZINC000906512641 852956764 /nfs/dbraw/zinc/95/67/64/852956764.db2.gz WJPITOUUJSBILK-UHFFFAOYSA-N 1 0 360.502 1.274 20 10 FDCDRO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164375874 862547710 /nfs/dbraw/zinc/54/77/10/862547710.db2.gz KBUBNPDLNZTOLC-QGZVFWFLSA-N 1 0 363.502 1.668 20 10 FDCDRO CN1CC[N@H+](C)CC(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000908274977 855259130 /nfs/dbraw/zinc/25/91/30/855259130.db2.gz IUCILGNLUHUWNF-UHFFFAOYSA-N 1 0 364.453 1.828 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911054631 858050804 /nfs/dbraw/zinc/05/08/04/858050804.db2.gz JOCIYOVKYGGPBU-INIZCTEOSA-N 1 0 368.528 1.486 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(-c3cccnc3)nn2C)cc1 ZINC000911666678 858879027 /nfs/dbraw/zinc/87/90/27/858879027.db2.gz JPVNHNKIPJCIHG-QGZVFWFLSA-N 1 0 364.453 1.978 20 10 FDCDRO COc1ccc(N2CCCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923598219 881764546 /nfs/dbraw/zinc/76/45/46/881764546.db2.gz UMGQXDHGQCEAFT-KRWDZBQOSA-N 1 0 353.488 1.289 20 10 FDCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929755077 869561432 /nfs/dbraw/zinc/56/14/32/869561432.db2.gz IRWARDBFNYAXEW-ZBFHGGJFSA-N 1 0 374.275 1.879 20 10 FDCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000761498743 871362400 /nfs/dbraw/zinc/36/24/00/871362400.db2.gz GUFLICVHTRBWRF-GFCCVEGCSA-N 1 0 366.849 1.379 20 10 FDCDRO COC[C@@](C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982047 874923217 /nfs/dbraw/zinc/92/32/17/874923217.db2.gz QRUMPTCBAQHGEZ-RHSMWYFYSA-N 1 0 356.850 1.524 20 10 FDCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2C)cc1 ZINC000762720039 876463481 /nfs/dbraw/zinc/46/34/81/876463481.db2.gz UFYUAIWSNFRAEF-HXUWFJFHSA-N 1 0 357.454 1.899 20 10 FDCDRO CCOc1ccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c(O)c1 ZINC000922496488 878340369 /nfs/dbraw/zinc/34/03/69/878340369.db2.gz OANRZNYKBBVLOC-UHFFFAOYSA-N 1 0 373.331 1.905 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1F ZINC000922614473 878785830 /nfs/dbraw/zinc/78/58/30/878785830.db2.gz CFEMCFNKWAIUHC-QGZVFWFLSA-N 1 0 358.479 1.965 20 10 FDCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000918746613 884907364 /nfs/dbraw/zinc/90/73/64/884907364.db2.gz ZCXJFIDIBPOOBE-CABCVRRESA-N 1 0 351.472 1.780 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NCCN3CCOCC3(C)C)ccc21 ZINC000170833775 888118815 /nfs/dbraw/zinc/11/88/15/888118815.db2.gz QDTOOIMYGSUILP-UHFFFAOYSA-N 1 0 360.502 1.979 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)cc1 ZINC000237578235 888633720 /nfs/dbraw/zinc/63/37/20/888633720.db2.gz LIAYQSQJBACLBE-UHFFFAOYSA-N 1 0 370.457 1.174 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000923379738 889053654 /nfs/dbraw/zinc/05/36/54/889053654.db2.gz LRWUNIIXFGLHJE-CTNGQTDRSA-N 1 0 374.529 1.006 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)cc1C ZINC001082420091 907592395 /nfs/dbraw/zinc/59/23/95/907592395.db2.gz SBGIXDNZBXLRKZ-NVXWUHKLSA-N 1 0 359.470 1.563 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C)cc1C ZINC001082490505 907998168 /nfs/dbraw/zinc/99/81/68/907998168.db2.gz FXJSCASRKQTJQJ-UKRRQHHQSA-N 1 0 359.426 1.546 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccnn3C)C[C@H]2C)cc1C ZINC001082491112 908003189 /nfs/dbraw/zinc/00/31/89/908003189.db2.gz IIWZGBPQVRZDEI-CRAIPNDOSA-N 1 0 356.470 1.916 20 10 FDCDRO O=C(NCc1cccc(Br)c1O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000765728499 908349900 /nfs/dbraw/zinc/34/99/00/908349900.db2.gz UIYZIETWAFLOGV-ZDUSSCGKSA-N 1 0 354.248 1.161 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)C1 ZINC000921571750 908443059 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COc1ccc(N2CCN(CCNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000746174107 927648958 /nfs/dbraw/zinc/64/89/58/927648958.db2.gz KMFHVTDBMANVSC-QZTJIDSGSA-N 1 0 374.529 1.806 20 10 FDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOC1 ZINC000766459714 928050358 /nfs/dbraw/zinc/05/03/58/928050358.db2.gz ZXVXHRAQENNUAL-HNNXBMFYSA-N 1 0 374.231 1.975 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746105506 930337134 /nfs/dbraw/zinc/33/71/34/930337134.db2.gz XWNBEJWPHIVWIJ-SFHVURJKSA-N 1 0 374.529 1.901 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](CCO)C(C)C)CC2)cc1 ZINC000771786343 930886544 /nfs/dbraw/zinc/88/65/44/930886544.db2.gz WDZXXUUYPWLBFK-UYAOXDASSA-N 1 0 365.518 1.175 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O)cc2=O ZINC000785541040 931446181 /nfs/dbraw/zinc/44/61/81/931446181.db2.gz OMYXYXOJUIMHKS-SLEUVZQESA-N 1 0 362.430 1.593 20 10 FDCDRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(O)c1 ZINC000746739877 932625267 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COc1ccc(N2CCC(NS(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923604530 976980537 /nfs/dbraw/zinc/98/05/37/976980537.db2.gz XCRGQNMCNIJCNO-QGZVFWFLSA-N 1 0 353.488 1.335 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848934596 977255013 /nfs/dbraw/zinc/25/50/13/977255013.db2.gz NBSSPKKBDDVOMA-OALUTQOASA-N 1 0 372.513 1.810 20 10 FDCDRO COCCC1C[NH+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000849326563 977428300 /nfs/dbraw/zinc/42/83/00/977428300.db2.gz GKZURGKTGZRYAS-IBGZPJMESA-N 1 0 363.502 1.146 20 10 FDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)(F)F ZINC000849326107 977428598 /nfs/dbraw/zinc/42/85/98/977428598.db2.gz CUCSCLFSCXLKHF-AWEZNQCLSA-N 1 0 366.405 1.324 20 10 FDCDRO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327862 977429382 /nfs/dbraw/zinc/42/93/82/977429382.db2.gz WGKIWILOPYSKMC-SFHVURJKSA-N 1 0 354.516 1.808 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCc3ccoc3)CC2)cc1 ZINC000849329468 977431360 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FDCDRO COCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000881852670 980216683 /nfs/dbraw/zinc/21/66/83/980216683.db2.gz BFBQQVVHZUXURR-UHFFFAOYSA-N 1 0 361.486 1.498 20 10 FDCDRO COC(=O)C12CC(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)(C1)C2 ZINC000881853266 980217453 /nfs/dbraw/zinc/21/74/53/980217453.db2.gz OXKHOOJSMMWTDO-UHFFFAOYSA-N 1 0 357.454 1.398 20 10 FDCDRO Cn1ncc2c1C[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000881853892 980218207 /nfs/dbraw/zinc/21/82/07/980218207.db2.gz NSPBRPPQSCVLCB-QGZVFWFLSA-N 1 0 367.497 1.593 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCn3ccnc3)C2)cc1 ZINC000882277122 980533722 /nfs/dbraw/zinc/53/37/22/980533722.db2.gz WXHGCLAZESTWRJ-HNNXBMFYSA-N 1 0 364.471 1.338 20 10 FDCDRO CO[C@H](CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000882663321 980802985 /nfs/dbraw/zinc/80/29/85/980802985.db2.gz VBRFZUKRVFWBES-GOSISDBHSA-N 1 0 367.515 1.283 20 10 FDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000883154347 981984475 /nfs/dbraw/zinc/98/44/75/981984475.db2.gz GDVKMIXKAURSKE-OAHLLOKOSA-N 1 0 364.465 1.680 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1O ZINC000883371441 982099345 /nfs/dbraw/zinc/09/93/45/982099345.db2.gz KCMGGFDDAWVCFR-SJORKVTESA-N 1 0 363.502 1.848 20 10 FDCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372220 982101185 /nfs/dbraw/zinc/10/11/85/982101185.db2.gz REVRCGGVYSXHPX-QGZVFWFLSA-N 1 0 353.894 1.932 20 10 FDCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1O ZINC000883372034 982101296 /nfs/dbraw/zinc/10/12/96/982101296.db2.gz JKXXFXYAFDERSO-GOSISDBHSA-N 1 0 363.502 1.677 20 10 FDCDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883373219 982102538 /nfs/dbraw/zinc/10/25/38/982102538.db2.gz FHNHETMQQKQGLW-QEJZJMRPSA-N 1 0 356.463 1.889 20 10 FDCDRO COCCOC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883461429 982167815 /nfs/dbraw/zinc/16/78/15/982167815.db2.gz USZNLKYMEYISOS-MRXNPFEDSA-N 1 0 364.490 1.289 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC=C[C@H]1CO ZINC000883578547 982279611 /nfs/dbraw/zinc/27/96/11/982279611.db2.gz XXGKSQFLOURHKW-FQEVSTJZSA-N 1 0 370.497 1.661 20 10 FDCDRO CCc1nnc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883702230 982395765 /nfs/dbraw/zinc/39/57/65/982395765.db2.gz HQNQSHSVFMTJOS-UHFFFAOYSA-N 1 0 374.514 1.852 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000883702473 982395819 /nfs/dbraw/zinc/39/58/19/982395819.db2.gz NDACMMPMZJZYHX-INIZCTEOSA-N 1 0 368.485 1.518 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000883797154 982475944 /nfs/dbraw/zinc/47/59/44/982475944.db2.gz UOXKVUKLBWSFSF-HKUYNNGSSA-N 1 0 358.486 1.805 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(CN3CCOCC3)o2)cc1 ZINC000884009893 982699716 /nfs/dbraw/zinc/69/97/16/982699716.db2.gz LKMZUEREEWROIS-SFHVURJKSA-N 1 0 372.469 1.608 20 10 FDCDRO C[NH+](C)CCCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000884021619 982706766 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CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[NH2+]C1 ZINC000884566568 983248900 /nfs/dbraw/zinc/24/89/00/983248900.db2.gz NXFCCEUNFVVMCL-QGZVFWFLSA-N 1 0 370.497 1.573 20 10 FDCDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[NH2+]1 ZINC000861563765 983779673 /nfs/dbraw/zinc/77/96/73/983779673.db2.gz DRPHPHVQIJHMPI-HYVNUMGLSA-N 1 0 373.501 1.328 20 10 FDCDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000861652805 983802313 /nfs/dbraw/zinc/80/23/13/983802313.db2.gz LNEKQUPJOVYHES-OYRHEFFESA-N 1 0 372.513 1.789 20 10 FDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000861767242 983909338 /nfs/dbraw/zinc/90/93/38/983909338.db2.gz OPORTCCKBFEQMP-JKSUJKDBSA-N 1 0 364.465 1.545 20 10 FDCDRO O=C1NC(=O)C2(CC[NH+](Cc3c(O)cccc3Br)CC2)N1 ZINC000862302268 984320544 /nfs/dbraw/zinc/32/05/44/984320544.db2.gz PSKVSACPVFMAFM-UHFFFAOYSA-N 1 0 354.204 1.329 20 10 FDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000862486400 984400086 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COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C[NH+](C)C)C3)CC2)cc1 ZINC000172197379 524155092 /nfs/dbraw/zinc/15/50/92/524155092.db2.gz GNBWUTVVDISQFI-KRWDZBQOSA-N 1 0 360.502 1.227 20 10 FDCDRO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000176333113 525082622 /nfs/dbraw/zinc/08/26/22/525082622.db2.gz KJJDTFCSPWXPBT-QGZVFWFLSA-N 1 0 361.486 1.702 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC([NH+]3CCCC3)CC1)cc2=O ZINC000104080317 525391157 /nfs/dbraw/zinc/39/11/57/525391157.db2.gz VMTXDJDQVXHWNQ-UHFFFAOYSA-N 1 0 373.457 1.672 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSCN3)cc2F)CC1 ZINC000178882696 525498116 /nfs/dbraw/zinc/49/81/16/525498116.db2.gz ZHJXVZKBAZEVOB-HNNXBMFYSA-N 1 0 352.479 1.246 20 10 FDCDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000105322964 525499244 /nfs/dbraw/zinc/49/92/44/525499244.db2.gz SKKAVRZNXBISSG-INIZCTEOSA-N 1 0 355.486 1.855 20 10 FDCDRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CN1CCN1CCOCC1 ZINC000178905043 525501854 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356.430 1.135 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000571714750 549741226 /nfs/dbraw/zinc/74/12/26/549741226.db2.gz WQBUPPGFGDFOGS-CXAGYDPISA-N 1 0 368.481 1.702 20 10 FDCDRO CC[N@H+](CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000579019163 550826919 /nfs/dbraw/zinc/82/69/19/550826919.db2.gz RPUBWAUIOCHVFO-UHFFFAOYSA-N 1 0 356.470 1.703 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1O ZINC000273691400 674563137 /nfs/dbraw/zinc/56/31/37/674563137.db2.gz BKKISZULXXYSBT-UHFFFAOYSA-N 1 0 356.850 1.765 20 10 FDCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000276715811 674755347 /nfs/dbraw/zinc/75/53/47/674755347.db2.gz RCXJEEKRPLILOE-UHFFFAOYSA-N 1 0 365.451 1.847 20 10 FDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(Br)c1O ZINC000277467865 674949455 /nfs/dbraw/zinc/94/94/55/674949455.db2.gz HNXZQGGFBPBHGW-LLVKDONJSA-N 1 0 357.248 1.739 20 10 FDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000278674349 675177686 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CCOC1CC(C[NH2+]Cc2cc(OC)ccc2O)(N2CCOCC2)C1 ZINC000195093089 672395662 /nfs/dbraw/zinc/39/56/62/672395662.db2.gz NBMUENMVSWGWKE-UHFFFAOYSA-N 1 0 350.459 1.760 20 10 FDCDRO CC(C)CN1C(=O)C(=CNCCC[NH+]2CCCCCC2)C(=O)NC1=S ZINC000255294850 672614012 /nfs/dbraw/zinc/61/40/12/672614012.db2.gz OGHZZUGZFZCAOC-NTCAYCPXSA-N 1 0 366.531 1.625 20 10 FDCDRO C[N@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1 ZINC000264309296 672907342 /nfs/dbraw/zinc/90/73/42/672907342.db2.gz YBUBMAYUDXRFBG-UHFFFAOYSA-N 1 0 355.460 1.368 20 10 FDCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000265832202 672999218 /nfs/dbraw/zinc/99/92/18/672999218.db2.gz DFTGJIFYZNDYNX-FUHWJXTLSA-N 1 0 352.500 1.969 20 10 FDCDRO COc1cc(O)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1OC ZINC000289247740 676110242 /nfs/dbraw/zinc/11/02/42/676110242.db2.gz DZDXQDHAJQLIKX-HNNXBMFYSA-N 1 0 364.364 1.762 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN3S(C)(=O)=O)CC2)cc1 ZINC000362311026 676914981 /nfs/dbraw/zinc/91/49/81/676914981.db2.gz ZLHPZCDTOUIKBL-QGZVFWFLSA-N 1 0 367.515 1.678 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000377578751 678566437 /nfs/dbraw/zinc/56/64/37/678566437.db2.gz BGKYLWUMGSXQKN-GJZGRUSLSA-N 1 0 350.438 1.554 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C(C)(C)C3)CC2)cc1 ZINC000275423925 771799158 /nfs/dbraw/zinc/79/91/58/771799158.db2.gz HYVPXLPTDVNHOQ-SFHVURJKSA-N 1 0 361.486 1.437 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2nc[nH]n2)C1 ZINC000683471618 772010890 /nfs/dbraw/zinc/01/08/90/772010890.db2.gz XGPNQRJXKXNIJV-UHFFFAOYSA-N 1 0 352.442 1.842 20 10 FDCDRO COc1c([O-])c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000375719161 783088612 /nfs/dbraw/zinc/08/86/12/783088612.db2.gz NHIDNWUPDHWBOM-CQSZACIVSA-N 1 0 364.446 1.567 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)[NH+](C)C)cc1 ZINC000891247225 774092987 /nfs/dbraw/zinc/09/29/87/774092987.db2.gz RTKAUQQVFAVFDA-AEFFLSMTSA-N 1 0 370.501 1.716 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)[NH+](C)C)cc1 ZINC000891251237 774128491 /nfs/dbraw/zinc/12/84/91/774128491.db2.gz BCQFJULRALVDFH-DOTOQJQBSA-N 1 0 361.490 1.262 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CSCC2=O)[NH+](C)C)cc1 ZINC000891254785 774158783 /nfs/dbraw/zinc/15/87/83/774158783.db2.gz JLMQLDYFAKRQMT-OAHLLOKOSA-N 1 0 350.488 1.004 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CCn2ccccc2=O)[NH+](C)C)cc1 ZINC000891256309 774164509 /nfs/dbraw/zinc/16/45/09/774164509.db2.gz XHHXYIRHCLFVIL-SFHVURJKSA-N 1 0 356.470 1.724 20 10 FDCDRO COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000891255440 774170024 /nfs/dbraw/zinc/17/00/24/774170024.db2.gz PHYSUDHCPFVRFO-GOSISDBHSA-N 1 0 370.453 1.967 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000891386266 776517589 /nfs/dbraw/zinc/51/75/89/776517589.db2.gz VYNHEHFNEHGRKH-RRCSTGOVSA-N 1 0 364.465 1.976 20 10 FDCDRO COc1cc(C)cc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1O ZINC000119617258 781425918 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C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000914291324 872242061 /nfs/dbraw/zinc/24/20/61/872242061.db2.gz JSRPWXXPBRTNNM-QGPMSJSTSA-N 1 0 373.501 1.280 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000919791724 886196412 /nfs/dbraw/zinc/19/64/12/886196412.db2.gz HCMNWZWOHGAVFV-HKUYNNGSSA-N 1 0 358.486 1.949 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923580979 889962240 /nfs/dbraw/zinc/96/22/40/889962240.db2.gz FVAAIKVPDMPBGN-QGZVFWFLSA-N 1 0 353.488 1.037 20 10 FDCDRO COc1cc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)ncn1 ZINC000184439870 897668654 /nfs/dbraw/zinc/66/86/54/897668654.db2.gz XMUVQJJPNPTATG-UHFFFAOYSA-N 1 0 369.469 1.644 20 10 FDCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000785423388 900488040 /nfs/dbraw/zinc/48/80/40/900488040.db2.gz WNECTINTERPMQA-YJBOKZPZSA-N 1 0 360.502 1.700 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3nnc(C)o3)C[C@H]2C)cc1C ZINC001082499528 908080026 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ZINC000817888135 943043711 /nfs/dbraw/zinc/04/37/11/943043711.db2.gz BPOWDDRHGIWNNO-KBAYOESNSA-N 1 0 360.502 1.245 20 10 FDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888136 943043810 /nfs/dbraw/zinc/04/38/10/943043810.db2.gz BPOWDDRHGIWNNO-NJAFHUGGSA-N 1 0 360.502 1.245 20 10 FDCDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892039 943066740 /nfs/dbraw/zinc/06/67/40/943066740.db2.gz JCODFDHMMFJTMK-ROUUACIJSA-N 1 0 351.516 1.671 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000817917763 943076318 /nfs/dbraw/zinc/07/63/18/943076318.db2.gz FWBDFBKGCQKUIJ-GOSISDBHSA-N 1 0 372.513 1.559 20 10 FDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926699 943082352 /nfs/dbraw/zinc/08/23/52/943082352.db2.gz SFLYXTUXGCYZDQ-GDBMZVCRSA-N 1 0 358.486 1.439 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818208771 943196842 /nfs/dbraw/zinc/19/68/42/943196842.db2.gz 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FDCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001144509107 949784896 /nfs/dbraw/zinc/78/48/96/949784896.db2.gz LFDQWKQWUQMKDS-HNJNHCNJSA-N 1 0 373.409 1.652 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(CO)nc3)cc2F)CC1 ZINC001144592043 950008484 /nfs/dbraw/zinc/00/84/84/950008484.db2.gz CIFUNHQKIZTOAW-UHFFFAOYSA-N 1 0 372.444 1.785 20 10 FDCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nc2ccccn12 ZINC000846110826 950509552 /nfs/dbraw/zinc/50/95/52/950509552.db2.gz OGOPWWZCLAOBOF-UHFFFAOYSA-N 1 0 368.412 1.960 20 10 FDCDRO COC[C@@]1(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000846176898 950650645 /nfs/dbraw/zinc/65/06/45/950650645.db2.gz JANNNGOKIKXSPS-IBGZPJMESA-N 1 0 364.490 1.541 20 10 FDCDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000846856106 951653131 /nfs/dbraw/zinc/65/31/31/951653131.db2.gz OCYDFXNECYAFAY-MRXNPFEDSA-N 1 0 367.490 1.147 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)Cc3cccnc3)cc2)CC1 ZINC001197472798 972256433 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FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180611031 965442002 /nfs/dbraw/zinc/44/20/02/965442002.db2.gz SBQBCCUYVJWLQI-UHFFFAOYSA-N 1 0 360.502 1.689 20 10 FDCDRO C[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258044 967016339 /nfs/dbraw/zinc/01/63/39/967016339.db2.gz PLGOZYOMHOMTLF-HOTGVXAUSA-N 1 0 352.500 1.999 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@](O)(C(N)=O)c2ccccc2)cc1 ZINC000852211742 967104003 /nfs/dbraw/zinc/10/40/03/967104003.db2.gz PNFXBCNLDHJKJF-HXUWFJFHSA-N 1 0 357.454 1.436 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C3(CO)CCCCC3)CC2)cc1 ZINC000776592868 967278371 /nfs/dbraw/zinc/27/83/71/967278371.db2.gz ZXALPDQWXLPFPJ-UHFFFAOYSA-N 1 0 361.486 1.629 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C)[C@H]1CCO)cc2=O ZINC000852458655 967340345 /nfs/dbraw/zinc/34/03/45/967340345.db2.gz JOKDOVSNSOONOU-IUODEOHRSA-N 1 0 362.430 1.595 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4COC[C@H]4C3)CC2)cc1 ZINC000852668719 967519773 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Cc1cc(C[NH+]2CCC(NS(N)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000859957814 983121197 /nfs/dbraw/zinc/12/11/97/983121197.db2.gz JPMLMVMAAIBKIC-UHFFFAOYSA-N 1 0 366.531 1.743 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884637888 983304402 /nfs/dbraw/zinc/30/44/02/983304402.db2.gz FOIZYQUXTQXQGN-QZTJIDSGSA-N 1 0 356.470 1.256 20 10 FDCDRO C[NH2+]CCOCCN(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000861571535 983781828 /nfs/dbraw/zinc/78/18/28/983781828.db2.gz DLRQQOYXGICKBZ-UHFFFAOYSA-N 1 0 364.490 1.541 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1F ZINC000861662017 983807517 /nfs/dbraw/zinc/80/75/17/983807517.db2.gz YOHRUDSKLUGOLT-QGZVFWFLSA-N 1 0 362.449 1.951 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861741554 983887861 /nfs/dbraw/zinc/88/78/61/983887861.db2.gz QXDZCQLBSCUHIS-VQIMIIECSA-N 1 0 374.529 1.565 20 10 FDCDRO CCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000884655057 984661982 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1.964 20 10 FDCDRO COCC(C)(C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000292121088 537710267 /nfs/dbraw/zinc/71/02/67/537710267.db2.gz HQKSYAGVAVWQGH-UHFFFAOYSA-N 1 0 367.465 1.635 20 10 FDCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285672578 537744796 /nfs/dbraw/zinc/74/47/96/537744796.db2.gz ISNOTBSVSDXKDT-QGZVFWFLSA-N 1 0 372.513 1.485 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC000285733056 537752361 /nfs/dbraw/zinc/75/23/61/537752361.db2.gz OKOYSYDTDCATHC-KRWDZBQOSA-N 1 0 358.486 1.238 20 10 FDCDRO COc1ccc(O)c([C@H](C)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000368034572 537973140 /nfs/dbraw/zinc/97/31/40/537973140.db2.gz BQDDFBWOSXRUBW-ZFWWWQNUSA-N 1 0 368.499 1.703 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433394993 538235420 /nfs/dbraw/zinc/23/54/20/538235420.db2.gz OPLBQNVQFZRSKG-AWEZNQCLSA-N 1 0 356.430 1.308 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560656402 545570886 /nfs/dbraw/zinc/57/08/86/545570886.db2.gz ZCCIVJAPFNJOEP-AWEZNQCLSA-N 1 0 354.454 1.456 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000561999582 546006595 /nfs/dbraw/zinc/00/65/95/546006595.db2.gz PDLTXOCRWXWHBL-UKRRQHHQSA-N 1 0 356.470 1.702 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000573005772 550044169 /nfs/dbraw/zinc/04/41/69/550044169.db2.gz BAJGEWAJEVKAKR-MRXNPFEDSA-N 1 0 370.497 1.903 20 10 FDCDRO COCCOCC[N@H+](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000635628512 558742902 /nfs/dbraw/zinc/74/29/02/558742902.db2.gz LUQFKWSSLUBLNK-UHFFFAOYSA-N 1 0 365.474 1.463 20 10 FDCDRO Oc1ccccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738400425 598467293 /nfs/dbraw/zinc/46/72/93/598467293.db2.gz GWJSTEWDYPMJKB-UHFFFAOYSA-N 1 0 351.414 1.726 20 10 FDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000826291698 608509752 /nfs/dbraw/zinc/50/97/52/608509752.db2.gz RJGRUMVVWLGTRV-UHFFFAOYSA-N 1 0 351.414 1.598 20 10 FDCDRO Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000038635369 670884275 /nfs/dbraw/zinc/88/42/75/670884275.db2.gz MEAISQOCUFJWHA-INIZCTEOSA-N 1 0 366.487 1.939 20 10 FDCDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000049656491 671094446 /nfs/dbraw/zinc/09/44/46/671094446.db2.gz JFCPNECPUZOELZ-UHFFFAOYSA-N 1 0 353.488 1.037 20 10 FDCDRO C[NH+](C)CCN1C[C@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000074675948 671413275 /nfs/dbraw/zinc/41/32/75/671413275.db2.gz QFRIXGFGNUMUMY-GFCCVEGCSA-N 1 0 356.517 1.152 20 10 FDCDRO CCN(CC)c1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1F ZINC000092186546 671515077 /nfs/dbraw/zinc/51/50/77/671515077.db2.gz HFUCDPNGNXCWGD-UHFFFAOYSA-N 1 0 353.482 1.798 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)COC)cc2F)CC1 ZINC000106512273 671607164 /nfs/dbraw/zinc/60/71/64/671607164.db2.gz KTGRXLHTKZOKIR-CQSZACIVSA-N 1 0 352.454 1.802 20 10 FDCDRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000113329680 671646282 /nfs/dbraw/zinc/64/62/82/671646282.db2.gz YDYLEOXARRPXNX-UHFFFAOYSA-N 1 0 364.467 1.915 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@H](C)OC)cc2F)CC1 ZINC000195231602 672400727 /nfs/dbraw/zinc/40/07/27/672400727.db2.gz CVVFBQVVHIZGMQ-AWEZNQCLSA-N 1 0 373.494 1.422 20 10 FDCDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2O)c1 ZINC000238099731 672433779 /nfs/dbraw/zinc/43/37/79/672433779.db2.gz VPWLBMWMRPHKHP-UHFFFAOYSA-N 1 0 351.384 1.369 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCCC[NH+](C)C)CC2)c(OC)c1 ZINC000243629427 672436928 /nfs/dbraw/zinc/43/69/28/672436928.db2.gz OYYSBKYJTYSXSV-UHFFFAOYSA-N 1 0 350.463 1.487 20 10 FDCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266474764 673127423 /nfs/dbraw/zinc/12/74/23/673127423.db2.gz MKZWIMRORRPEDF-ZDUSSCGKSA-N 1 0 369.487 1.568 20 10 FDCDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000267348322 673294384 /nfs/dbraw/zinc/29/43/84/673294384.db2.gz MXWAPQFBSJIYFD-UHFFFAOYSA-N 1 0 364.427 1.473 20 10 FDCDRO COc1c(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000289592496 676156440 /nfs/dbraw/zinc/15/64/40/676156440.db2.gz URTDOEWOJPNAQK-UHFFFAOYSA-N 1 0 373.431 1.070 20 10 FDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331477 676417712 /nfs/dbraw/zinc/41/77/12/676417712.db2.gz HIIXNSVZFKTTGP-HIFRSBDPSA-N 1 0 373.494 1.641 20 10 FDCDRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cccc(Br)c1O ZINC000297120458 676424316 /nfs/dbraw/zinc/42/43/16/676424316.db2.gz OYVSNMKSNUDUAA-UHFFFAOYSA-N 1 0 372.263 1.676 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1F ZINC000297236539 676425294 /nfs/dbraw/zinc/42/52/94/676425294.db2.gz NOOSZGQNTHIJNP-OAHLLOKOSA-N 1 0 352.454 1.538 20 10 FDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000359960313 676859226 /nfs/dbraw/zinc/85/92/26/676859226.db2.gz ZKWMVIRGTMPDLW-APPDUMDISA-N 1 0 367.833 1.864 20 10 FDCDRO CNC(=O)CN1CCC[N@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000371425481 677669819 /nfs/dbraw/zinc/66/98/19/677669819.db2.gz SPAASMAPKUWSNN-UHFFFAOYSA-N 1 0 370.291 1.717 20 10 FDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000374807414 678091979 /nfs/dbraw/zinc/09/19/79/678091979.db2.gz PMSRZBPPVPXRQQ-OAHLLOKOSA-N 1 0 370.471 1.027 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527957820 694694756 /nfs/dbraw/zinc/69/47/56/694694756.db2.gz VFHKGRADBMQRRV-AUUYWEPGSA-N 1 0 350.459 1.667 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)c(OC)c1 ZINC000892221499 782333410 /nfs/dbraw/zinc/33/34/10/782333410.db2.gz YKNJYXACGMHVNW-UHFFFAOYSA-N 1 0 362.474 1.664 20 10 FDCDRO Cc1n[nH]c(=O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891252063 774125213 /nfs/dbraw/zinc/12/52/13/774125213.db2.gz FLMQGDJRLAPFOU-INIZCTEOSA-N 1 0 357.458 1.898 20 10 FDCDRO CCn1cc(C(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891253107 774139862 /nfs/dbraw/zinc/13/98/62/774139862.db2.gz QOGQYJPMKPIZPA-KRWDZBQOSA-N 1 0 357.458 1.571 20 10 FDCDRO CC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CCCC1=O ZINC000891254182 774150237 /nfs/dbraw/zinc/15/02/37/774150237.db2.gz XBHGEHQXGNCUPB-ZWKOTPCHSA-N 1 0 360.502 1.873 20 10 FDCDRO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[nH]1 ZINC000891255007 774152483 /nfs/dbraw/zinc/15/24/83/774152483.db2.gz MPKARBLMGLZLTM-SFHVURJKSA-N 1 0 371.485 1.827 20 10 FDCDRO COC(=O)c1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1C ZINC001167427129 774586254 /nfs/dbraw/zinc/58/62/54/774586254.db2.gz ZETIRVJMTJBAQU-UHFFFAOYSA-N 1 0 355.442 1.936 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891384421 776456854 /nfs/dbraw/zinc/45/68/54/776456854.db2.gz HLAUUXIQKBBIDO-FUHWJXTLSA-N 1 0 362.449 1.698 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCn2cccn2)[NH+](C)C)cc1 ZINC000891789498 779426317 /nfs/dbraw/zinc/42/63/17/779426317.db2.gz MKUCRUGUQWXKFH-GOSISDBHSA-N 1 0 358.490 1.941 20 10 FDCDRO O=C(Cn1ccnc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092643626 780196082 /nfs/dbraw/zinc/19/60/82/780196082.db2.gz JSLOKEPLOVTYMZ-UHFFFAOYSA-N 1 0 353.470 1.732 20 10 FDCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(O)(C[NH3+])CC2)CCCC1 ZINC000653165608 781143320 /nfs/dbraw/zinc/14/33/20/781143320.db2.gz WYVOHRCXSFNTNR-UHFFFAOYSA-N 1 0 371.481 1.841 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]([NH+](C)C)CC3)CC2)cc1 ZINC000277272322 781271615 /nfs/dbraw/zinc/27/16/15/781271615.db2.gz RSKMNVUVCBEHLP-SFHVURJKSA-N 1 0 374.529 1.760 20 10 FDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC[NH2+]1 ZINC000892096967 781508229 /nfs/dbraw/zinc/50/82/29/781508229.db2.gz KWALDJKYQMDRSP-YOEHRIQHSA-N 1 0 373.501 1.328 20 10 FDCDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000892114406 781585244 /nfs/dbraw/zinc/58/52/44/781585244.db2.gz FGJKRDPWBJZFDK-IYBDPMFKSA-N 1 0 362.449 1.365 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c(OC)c1 ZINC000892290700 783524924 /nfs/dbraw/zinc/52/49/24/783524924.db2.gz KVAGPWYANIWCEY-LSDHHAIUSA-N 1 0 362.474 1.676 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000892778520 791216093 /nfs/dbraw/zinc/21/60/93/791216093.db2.gz LWIGRCGFCOCDBH-ZFWWWQNUSA-N 1 0 363.458 1.920 20 10 FDCDRO Cc1cccc(C[NH+]2CCC([C@@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)c1O ZINC000378445546 794146260 /nfs/dbraw/zinc/14/62/60/794146260.db2.gz VEANJKCESAJKJK-GOSISDBHSA-N 1 0 373.453 1.044 20 10 FDCDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)cc1OC ZINC000378449730 794160373 /nfs/dbraw/zinc/16/03/73/794160373.db2.gz AUHHVLBXYRYZGD-AWEZNQCLSA-N 1 0 362.430 1.855 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2cnccn2)[NH+](C)C)cc1 ZINC000894009955 809855114 /nfs/dbraw/zinc/85/51/14/809855114.db2.gz QGYXIRRDWLJCON-GOSISDBHSA-N 1 0 356.474 1.687 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000419709917 812100751 /nfs/dbraw/zinc/10/07/51/812100751.db2.gz PJZLMAJBOQWOCQ-HNNXBMFYSA-N 1 0 356.470 1.561 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419700850 812116133 /nfs/dbraw/zinc/11/61/33/812116133.db2.gz AARQCHCLSPGCGN-GASCZTMLSA-N 1 0 354.454 1.456 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)cc1F ZINC000273031017 814786030 /nfs/dbraw/zinc/78/60/30/814786030.db2.gz DKTNGYRTSXFIAC-OAHLLOKOSA-N 1 0 365.449 1.451 20 10 FDCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncnn1C ZINC000894381997 817962625 /nfs/dbraw/zinc/96/26/25/817962625.db2.gz XBEYRUSYKLLQJU-XJKSGUPXSA-N 1 0 359.478 1.544 20 10 FDCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c2cc(F)ccc2n1C ZINC000894592096 818233639 /nfs/dbraw/zinc/23/36/39/818233639.db2.gz GXTXWRCNLOSXMK-IBGZPJMESA-N 1 0 359.401 1.816 20 10 FDCDRO COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895861647 822768413 /nfs/dbraw/zinc/76/84/13/822768413.db2.gz GFIGRHQAENIQOE-OALUTQOASA-N 1 0 361.486 1.639 20 10 FDCDRO CNC(=O)C1([NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000895883865 822783610 /nfs/dbraw/zinc/78/36/10/822783610.db2.gz FTZZUNUZSRQWDO-UHFFFAOYSA-N 1 0 357.248 1.848 20 10 FDCDRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000895895290 823713298 /nfs/dbraw/zinc/71/32/98/823713298.db2.gz RVCFMLHUEYIVLS-MRXNPFEDSA-N 1 0 373.497 1.811 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@]34C[C@H]3COC4)cc2F)CC1 ZINC000888193669 834406553 /nfs/dbraw/zinc/40/65/53/834406553.db2.gz RZNFRCLMZKQRJT-KXBFYZLASA-N 1 0 362.449 1.556 20 10 FDCDRO COCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]CC1 ZINC000841762573 835851313 /nfs/dbraw/zinc/85/13/13/835851313.db2.gz XUEXTBPUTNFJBV-UHFFFAOYSA-N 1 0 352.454 1.707 20 10 FDCDRO O=C(NCc1cc(Br)ccc1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897747404 840372809 /nfs/dbraw/zinc/37/28/09/840372809.db2.gz HGRPOMPXWUVFBI-CYBMUJFWSA-N 1 0 355.232 1.492 20 10 FDCDRO CC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897955631 840626973 /nfs/dbraw/zinc/62/69/73/840626973.db2.gz AXMZDNOMJSWRKS-HKUYNNGSSA-N 1 0 372.513 1.750 20 10 FDCDRO COC(=O)[C@@](C)(Cn1cccn1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898339759 840977690 /nfs/dbraw/zinc/97/76/90/840977690.db2.gz IROQSLFVWMFXOI-HXUWFJFHSA-N 1 0 371.485 1.356 20 10 FDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000898352201 840988220 /nfs/dbraw/zinc/98/82/20/840988220.db2.gz XMQCCPKGJAJDKE-ZWNOBZJWSA-N 1 0 373.247 1.694 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCS(=O)(=O)CC2)N(C)C)cc1 ZINC000898447910 844715770 /nfs/dbraw/zinc/71/57/70/844715770.db2.gz MXHSMIVLUATSBI-AEFFLSMTSA-N 1 0 353.532 1.912 20 10 FDCDRO CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]Cc3ccccc3O)CC2=O)C1 ZINC000898533037 844831168 /nfs/dbraw/zinc/83/11/68/844831168.db2.gz UZIJHXSDJFNMDW-AWEZNQCLSA-N 1 0 361.442 1.702 20 10 FDCDRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 ZINC000842171527 845278131 /nfs/dbraw/zinc/27/81/31/845278131.db2.gz UGVPUOYIKHPLLR-IBGZPJMESA-N 1 0 370.497 1.703 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)[C@@H](F)C2)[NH+](C)C)cc1 ZINC000899095713 845756340 /nfs/dbraw/zinc/75/63/40/845756340.db2.gz LEBBPTVKSTVVDF-ULQDDVLXSA-N 1 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CN(C)c1ccc([C@@H](CNC(=O)N(C)CCn2cccn2)[NH+](C)C)cc1 ZINC000899100870 845798642 /nfs/dbraw/zinc/79/86/42/845798642.db2.gz FIYZVARCDFYOJS-GOSISDBHSA-N 1 0 358.490 1.893 20 10 FDCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842235041 845837092 /nfs/dbraw/zinc/83/70/92/845837092.db2.gz XEAXDIXMMLYYKV-UHFFFAOYSA-N 1 0 362.518 1.994 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cncc4[nH]cnc43)cc2)CC1 ZINC000899212876 845947484 /nfs/dbraw/zinc/94/74/84/845947484.db2.gz YVIRTLFJMQKNDB-UHFFFAOYSA-N 1 0 350.426 1.640 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=S)Nc3cnn(C)c3)CC2)cc1 ZINC000899463018 846258827 /nfs/dbraw/zinc/25/88/27/846258827.db2.gz RXKLYYZMAVPIFQ-UHFFFAOYSA-N 1 0 374.514 1.537 20 10 FDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000899472027 846275013 /nfs/dbraw/zinc/27/50/13/846275013.db2.gz FAQBZLJNEHDFDF-UHFFFAOYSA-N 1 0 358.486 1.489 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(O)CCC1 ZINC000905052882 851613800 /nfs/dbraw/zinc/61/38/00/851613800.db2.gz WSKRLQLLTDHOQF-INIZCTEOSA-N 1 0 374.403 1.908 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)cc2)C1 ZINC000905060587 851646348 /nfs/dbraw/zinc/64/63/48/851646348.db2.gz VRVLCHWSHDLOGZ-FUHWJXTLSA-N 1 0 361.486 1.144 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)C1 ZINC000905060586 851646646 /nfs/dbraw/zinc/64/66/46/851646646.db2.gz VRVLCHWSHDLOGZ-AEFFLSMTSA-N 1 0 361.486 1.144 20 10 FDCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905482447 851954571 /nfs/dbraw/zinc/95/45/71/851954571.db2.gz UMEXGAXYQBVECT-IBGZPJMESA-N 1 0 363.502 1.511 20 10 FDCDRO COC[C@@H](C)CS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460515 855445339 /nfs/dbraw/zinc/44/53/39/855445339.db2.gz WDWDIFGUJHCUAT-PBHICJAKSA-N 1 0 357.520 1.557 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000908457276 855468680 /nfs/dbraw/zinc/46/86/80/855468680.db2.gz AZUTXWFVVNTEPS-QZTJIDSGSA-N 1 0 369.531 1.844 20 10 FDCDRO CCn1cnc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000908457979 855470706 /nfs/dbraw/zinc/47/07/06/855470706.db2.gz NLUHLHBUJOFWPG-INIZCTEOSA-N 1 0 365.503 1.550 20 10 FDCDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCCSc1nccs1 ZINC000911055390 858053360 /nfs/dbraw/zinc/05/33/60/858053360.db2.gz OHESQQKENBKTHA-XHDPSFHLSA-N 1 0 354.501 1.081 20 10 FDCDRO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000911049029 858086814 /nfs/dbraw/zinc/08/68/14/858086814.db2.gz NNXBTQIODKYQEF-MRXNPFEDSA-N 1 0 362.518 1.565 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1F ZINC000911235849 858347582 /nfs/dbraw/zinc/34/75/82/858347582.db2.gz JHDCOMFZVVZSGH-CQSZACIVSA-N 1 0 364.465 1.485 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537472 858772774 /nfs/dbraw/zinc/77/27/74/858772774.db2.gz WYJWAFOUGYGXCA-CGTJXYLNSA-N 1 0 358.486 1.499 20 10 FDCDRO CC[C@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964959 865407812 /nfs/dbraw/zinc/40/78/12/865407812.db2.gz QJQZFPZCWBZUAQ-WMZOPIPTSA-N 1 0 361.486 1.843 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CCn1cccn1 ZINC001089067948 866474532 /nfs/dbraw/zinc/47/45/32/866474532.db2.gz DKWPBDUFCDDIFN-CJNGLKHVSA-N 1 0 369.429 1.938 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CCn1cncn1 ZINC001089068168 866476713 /nfs/dbraw/zinc/47/67/13/866476713.db2.gz PZLBMJWCLAXHPV-DOMZBBRYSA-N 1 0 370.417 1.333 20 10 FDCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000914336387 872450618 /nfs/dbraw/zinc/45/06/18/872450618.db2.gz WIHJJQIEXIHYSM-UHFFFAOYSA-N 1 0 369.469 1.984 20 10 FDCDRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000762359394 875807595 /nfs/dbraw/zinc/80/75/95/875807595.db2.gz NJCSJBXXQZEVSV-QZTJIDSGSA-N 1 0 364.559 1.688 20 10 FDCDRO COc1cccc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c1O ZINC000922494941 878334036 /nfs/dbraw/zinc/33/40/36/878334036.db2.gz BTALGUANEYLVGL-UHFFFAOYSA-N 1 0 359.304 1.515 20 10 FDCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC2(CC1)OCCO2 ZINC000922621820 878815322 /nfs/dbraw/zinc/81/53/22/878815322.db2.gz GISGPRKRWXVEJN-UHFFFAOYSA-N 1 0 362.470 1.661 20 10 FDCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000919404458 885709107 /nfs/dbraw/zinc/70/91/07/885709107.db2.gz MCXXUVQYNYBRPK-CYBMUJFWSA-N 1 0 351.422 1.831 20 10 FDCDRO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000920451870 886946280 /nfs/dbraw/zinc/94/62/80/886946280.db2.gz PTKSUWAIRBRNJK-QWHCGFSZSA-N 1 0 369.487 1.614 20 10 FDCDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000920460095 886954430 /nfs/dbraw/zinc/95/44/30/886954430.db2.gz HKEKWHVFPPHTEI-AWEZNQCLSA-N 1 0 352.454 1.604 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC000923537290 889665313 /nfs/dbraw/zinc/66/53/13/889665313.db2.gz VWIMHJLGGDXGLL-NRFANRHFSA-N 1 0 372.513 1.562 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C)cc1C ZINC001082700241 909677010 /nfs/dbraw/zinc/67/70/10/909677010.db2.gz JVLMAOYCAKEGIF-DJIMGWMZSA-N 1 0 359.470 1.561 20 10 FDCDRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000731843531 918715407 /nfs/dbraw/zinc/71/54/07/918715407.db2.gz NZFRYGJNRUNIKT-LBPRGKRZSA-N 1 0 363.439 1.499 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2COC(=O)N2)cc1C ZINC001085187719 922077768 /nfs/dbraw/zinc/07/77/68/922077768.db2.gz SYYYRXBOFSWDGT-BZUAXINKSA-N 1 0 361.442 1.629 20 10 FDCDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769763211 929647186 /nfs/dbraw/zinc/64/71/86/929647186.db2.gz WOIXDRRDEXOAOP-ZDUSSCGKSA-N 1 0 355.460 1.320 20 10 FDCDRO C[C@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000788315746 932662720 /nfs/dbraw/zinc/66/27/20/932662720.db2.gz BHHBMYKPCIEITG-OXJNMPFZSA-N 1 0 372.513 1.883 20 10 FDCDRO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)cc1C ZINC000788383651 932686861 /nfs/dbraw/zinc/68/68/61/932686861.db2.gz LWAAMBGXCVOHQI-OAHLLOKOSA-N 1 0 354.472 1.709 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000788568802 932742005 /nfs/dbraw/zinc/74/20/05/932742005.db2.gz DGANVLUQGQNHHD-MSOLQXFVSA-N 1 0 370.497 1.428 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788583421 932747145 /nfs/dbraw/zinc/74/71/45/932747145.db2.gz KEZPFKQNVZWBHA-HKUYNNGSSA-N 1 0 368.481 1.422 20 10 FDCDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000789947334 933263678 /nfs/dbraw/zinc/26/36/78/933263678.db2.gz UQVAWESTXGOLIR-UHFFFAOYSA-N 1 0 373.428 1.785 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000790185535 933404267 /nfs/dbraw/zinc/40/42/67/933404267.db2.gz GZEGAXVBFWGJER-KRWDZBQOSA-N 1 0 374.529 1.997 20 10 FDCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000793898029 938342457 /nfs/dbraw/zinc/34/24/57/938342457.db2.gz VHPUWHROYGHZAB-IRXDYDNUSA-N 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FDCDRO COc1cc(Br)cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1O ZINC000846067699 950503608 /nfs/dbraw/zinc/50/36/08/950503608.db2.gz JCRUHQGBIRKIEC-CYBMUJFWSA-N 1 0 357.248 1.414 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1O ZINC000846143841 950624787 /nfs/dbraw/zinc/62/47/87/950624787.db2.gz ACLVFGUXUALTAP-NSHDSACASA-N 1 0 355.416 1.159 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001144848244 951208526 /nfs/dbraw/zinc/20/85/26/951208526.db2.gz IMDVRZRTXSGNGI-AWEZNQCLSA-N 1 0 363.508 1.800 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846933611 951702581 /nfs/dbraw/zinc/70/25/81/951702581.db2.gz VBPXRHPUWCIBLB-FQEVSTJZSA-N 1 0 374.529 1.508 20 10 FDCDRO C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000846911877 951712563 /nfs/dbraw/zinc/71/25/63/951712563.db2.gz KUVWWRKHWDBYKP-QGZVFWFLSA-N 1 0 374.529 1.554 20 10 FDCDRO C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]2(C)C1 ZINC001092311660 954790797 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FDCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001175295551 963129105 /nfs/dbraw/zinc/12/91/05/963129105.db2.gz GSNZIFOEYKTOAG-UAGQMJEPSA-N 1 0 361.486 1.890 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(O)CCOCC1 ZINC000773577480 963451345 /nfs/dbraw/zinc/45/13/45/963451345.db2.gz NRNDNQTURRWNMZ-UHFFFAOYSA-N 1 0 373.497 1.376 20 10 FDCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001178156955 964119087 /nfs/dbraw/zinc/11/90/87/964119087.db2.gz NSBKXLJWNSFGQS-DOTOQJQBSA-N 1 0 351.466 1.861 20 10 FDCDRO CC[NH+]1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000775032565 964563950 /nfs/dbraw/zinc/56/39/50/964563950.db2.gz GBCDWSFLFYWBSW-UHFFFAOYSA-N 1 0 356.517 1.342 20 10 FDCDRO CCOC(=O)CN(CC[NH3+])C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186847945 964769922 /nfs/dbraw/zinc/76/99/22/964769922.db2.gz BTSSQBFBWIFOLY-UHFFFAOYSA-N 1 0 359.426 1.764 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260931 967027991 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FDCDRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccc(N2CCSCC2)cc1 ZINC000875102895 990897623 /nfs/dbraw/zinc/89/76/23/990897623.db2.gz XIZVTLYDFDMDST-KRWDZBQOSA-N 1 0 364.515 1.106 20 10 FDCDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc5c(cc4O)OCO5)C[C@@H]3C2)no1 ZINC000372429579 991096877 /nfs/dbraw/zinc/09/68/77/991096877.db2.gz XEAKEIIZQQCXPY-OKILXGFUSA-N 1 0 372.425 1.630 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000875250620 991194143 /nfs/dbraw/zinc/19/41/43/991194143.db2.gz DOWIUEPMDKPDNC-IBGZPJMESA-N 1 0 372.513 1.810 20 10 FDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC[C@H]21 ZINC000875749154 991970024 /nfs/dbraw/zinc/97/00/24/991970024.db2.gz IETCRLHZHIDWPT-YLJYHZDGSA-N 1 0 372.513 1.883 20 10 FDCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cc2)CC1 ZINC000876626259 992753268 /nfs/dbraw/zinc/75/32/68/992753268.db2.gz TYMXUKVHQWTERC-FQEVSTJZSA-N 1 0 359.514 1.944 20 10 FDCDRO COC[C@]1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCC[NH2+]1 ZINC000876742148 992859627 /nfs/dbraw/zinc/85/96/27/992859627.db2.gz RFTZSBZDSZQFAX-UZLBHIALSA-N 1 0 361.486 1.859 20 10 FDCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876775901 992901306 /nfs/dbraw/zinc/90/13/06/992901306.db2.gz CLAHVHHNZNOIFP-DFBGVHRSSA-N 1 0 355.385 1.489 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H](OC)C[NH2+]3)CC2)cc1F ZINC000876780516 992906238 /nfs/dbraw/zinc/90/62/38/992906238.db2.gz HGZYNDJSEJHORH-KBXCAEBGSA-N 1 0 351.422 1.250 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000877015170 993010673 /nfs/dbraw/zinc/01/06/73/993010673.db2.gz GVLRSNPWCWXOAO-FPLPWBNLSA-N 1 0 350.422 1.893 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CNC(=O)C3)cc2F)CC1 ZINC000375290132 993055478 /nfs/dbraw/zinc/05/54/78/993055478.db2.gz VYSCYUZONLJRBM-IBGZPJMESA-N 1 0 362.449 1.110 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)c(OC)c1 ZINC000877227218 993117827 /nfs/dbraw/zinc/11/78/27/993117827.db2.gz FRTDBMCHTSRTNN-UHFFFAOYSA-N 1 0 371.441 1.035 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000877227101 993117937 /nfs/dbraw/zinc/11/79/37/993117937.db2.gz CKROPCNUMREXNE-ZWKOTPCHSA-N 1 0 373.497 1.988 20 10 FDCDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877507770 993312185 /nfs/dbraw/zinc/31/21/85/993312185.db2.gz RXUXSTOPXIHYFO-VQIMIIECSA-N 1 0 350.503 1.895 20 10 FDCDRO Cc1cc(Br)cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877668675 993427558 /nfs/dbraw/zinc/42/75/58/993427558.db2.gz SSCPRTRYIFJDEM-HOTGVXAUSA-N 1 0 367.243 1.948 20 10 FDCDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCOC1 ZINC000877698044 993453840 /nfs/dbraw/zinc/45/38/40/993453840.db2.gz GBEWUTOBOFEFIO-FQEVSTJZSA-N 1 0 362.470 1.973 20 10 FDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000826049492 994018416 /nfs/dbraw/zinc/01/84/16/994018416.db2.gz SGRJQKCYBNVDKY-LLVKDONJSA-N 1 0 351.266 1.572 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000924581055 994850235 /nfs/dbraw/zinc/85/02/35/994850235.db2.gz ZFBCFLBSRJKOGB-MSOLQXFVSA-N 1 0 374.529 1.854 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@@H]4CSCCN4C3=O)cc2)CC1 ZINC000925081429 995279484 /nfs/dbraw/zinc/27/94/84/995279484.db2.gz ZMRHFYASLSATDZ-INIZCTEOSA-N 1 0 360.483 1.318 20 10 FDCDRO COc1ccc(N2CCN(CCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925509597 995634556 /nfs/dbraw/zinc/63/45/56/995634556.db2.gz YJNXGLLFQYYMIB-ILACCBGSSA-N 1 0 356.514 1.403 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000926291306 996029201 /nfs/dbraw/zinc/02/92/01/996029201.db2.gz VEPSRIWWTLNOBD-AEFFLSMTSA-N 1 0 374.529 1.935 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926300734 996038965 /nfs/dbraw/zinc/03/89/65/996038965.db2.gz CNOBXYKBJLPRSA-WMZOPIPTSA-N 1 0 374.529 1.933 20 10 FDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c(O)c1 ZINC000926962510 996374394 /nfs/dbraw/zinc/37/43/94/996374394.db2.gz AYCQKANZTPBCAO-OAHLLOKOSA-N 1 0 355.438 1.784 20 10 FDCDRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000826531510 996883413 /nfs/dbraw/zinc/88/34/13/996883413.db2.gz MXFODLJVUOOQDC-HUUCEWRRSA-N 1 0 361.490 1.575 20 10 FDCDRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264673495 997566522 /nfs/dbraw/zinc/56/65/22/997566522.db2.gz XIIRPOZIUYICGV-VMPITWQZSA-N 1 0 372.513 1.290 20 10 FDCDRO CC[C@]1(O)CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889658930 998508207 /nfs/dbraw/zinc/50/82/07/998508207.db2.gz OFKHERTVZNTLAV-FQEVSTJZSA-N 1 0 360.502 1.885 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(CO)CCCC3)cc2)CC1 ZINC000889660842 998510368 /nfs/dbraw/zinc/51/03/68/998510368.db2.gz JPJCIAQKTQTZTC-UHFFFAOYSA-N 1 0 360.502 1.790 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000889663376 998513815 /nfs/dbraw/zinc/51/38/15/998513815.db2.gz PPTVCYVDRPTFPV-MJGOQNOKSA-N 1 0 358.486 1.759 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CCSC3)cc2)CC1 ZINC000889669476 998519193 /nfs/dbraw/zinc/51/91/93/998519193.db2.gz KPWPNRDRXITSCH-SFHVURJKSA-N 1 0 364.515 1.106 20 10 FDCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000271064489 999655252 /nfs/dbraw/zinc/65/52/52/999655252.db2.gz IPNXKSJLNJUYIR-UHFFFAOYSA-N 1 0 356.426 1.607 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000779222039 1002731881 /nfs/dbraw/zinc/73/18/81/1002731881.db2.gz GHOPDBBQIOXMBC-HKUYNNGSSA-N 1 0 363.502 1.146 20 10 FDCDRO O=c1cc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]c(=O)[nH]1 ZINC000930842846 1003571390 /nfs/dbraw/zinc/57/13/90/1003571390.db2.gz LCMRGKZRICALAG-HNNXBMFYSA-N 1 0 356.426 1.714 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2=CCCC2)[NH+](C)C)cc1 ZINC000931015913 1003775169 /nfs/dbraw/zinc/77/51/69/1003775169.db2.gz JSLKDOXSMCTWIG-GOSISDBHSA-N 1 0 358.486 1.698 20 10 FDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2)CC1 ZINC000932947059 1005265049 /nfs/dbraw/zinc/26/50/49/1005265049.db2.gz LLWQKXDALLGYPJ-INIZCTEOSA-N 1 0 367.515 1.412 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)NC(C)C)cc2F)CC1 ZINC000778624306 1006562003 /nfs/dbraw/zinc/56/20/03/1006562003.db2.gz NXHIBYCWGQDKFK-UHFFFAOYSA-N 1 0 358.483 1.300 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1OC ZINC000795655028 1007393394 /nfs/dbraw/zinc/39/33/94/1007393394.db2.gz QRAQDLHVTUTGGR-ZDUSSCGKSA-N 1 0 372.487 1.513 20 10 FDCDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779406049 1008990014 /nfs/dbraw/zinc/99/00/14/1008990014.db2.gz SWOKIBODGAGLPW-MRXNPFEDSA-N 1 0 362.499 1.686 20 10 FDCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269256386 674108082 /nfs/dbraw/zinc/10/80/82/674108082.db2.gz SHSFQVLHMYNPMJ-QGZVFWFLSA-N 1 0 351.516 1.592 20 10 FDCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269243158 674108163 /nfs/dbraw/zinc/10/81/63/674108163.db2.gz CFCUCCILGZHXBV-OSAQELSMSA-N 1 0 355.385 1.096 20 10 FDCDRO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758285 522030693 /nfs/dbraw/zinc/03/06/93/522030693.db2.gz BWWQGPBMDCPGHW-UHFFFAOYSA-N 1 0 362.474 1.579 20 10 FDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000074134195 522688644 /nfs/dbraw/zinc/68/86/44/522688644.db2.gz VCNQDBBLXNWGLZ-OAHLLOKOSA-N 1 0 360.502 1.706 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000052467014 523181135 /nfs/dbraw/zinc/18/11/35/523181135.db2.gz JNROVTURYMDSLD-UHFFFAOYSA-N 1 0 360.458 1.538 20 10 FDCDRO CN(C)C(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000067127604 523326071 /nfs/dbraw/zinc/32/60/71/523326071.db2.gz VXQGEBCEPYXKOM-UHFFFAOYSA-N 1 0 360.502 1.511 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000053775248 523505887 /nfs/dbraw/zinc/50/58/87/523505887.db2.gz ZJMNYFYHGFNOPN-UHFFFAOYSA-N 1 0 374.485 1.928 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C[NH+]3CCCC3)C1)cc2=O ZINC000150759809 524484402 /nfs/dbraw/zinc/48/44/02/524484402.db2.gz HGMVPTUEZWOQCZ-CQSZACIVSA-N 1 0 373.457 1.529 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000122312125 524506270 /nfs/dbraw/zinc/50/62/70/524506270.db2.gz AWVUJPHFOLFIDE-NVXWUHKLSA-N 1 0 358.486 1.948 20 10 FDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCSC1 ZINC000089938390 524554151 /nfs/dbraw/zinc/55/41/51/524554151.db2.gz BXAPOCKOORUSNO-HNNXBMFYSA-N 1 0 367.490 1.716 20 10 FDCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCSC1 ZINC000089938388 524554803 /nfs/dbraw/zinc/55/48/03/524554803.db2.gz BXAPOCKOORUSNO-OAHLLOKOSA-N 1 0 367.490 1.716 20 10 FDCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)O ZINC000114487092 524820221 /nfs/dbraw/zinc/82/02/21/524820221.db2.gz QTCZHNWBQUZPDI-UHFFFAOYSA-N 1 0 367.465 1.371 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C[C@@H](C)O)CC2)cc1 ZINC000152549479 524923138 /nfs/dbraw/zinc/92/31/38/524923138.db2.gz WRSMRNWGVSJYMC-AEFFLSMTSA-N 1 0 361.486 1.579 20 10 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/nfs/dbraw/zinc/82/69/19/535826919.db2.gz LECBZTOWZILEKZ-QGZVFWFLSA-N 1 0 352.500 1.562 20 10 FDCDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Br)ccc1O ZINC000186510727 536235897 /nfs/dbraw/zinc/23/58/97/536235897.db2.gz AHZFVVANJBMAOW-SECBINFHSA-N 1 0 353.220 1.958 20 10 FDCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000263654745 537054440 /nfs/dbraw/zinc/05/44/40/537054440.db2.gz FNZGHYPOWDENMQ-CQSZACIVSA-N 1 0 359.304 1.394 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F ZINC000264937159 537150158 /nfs/dbraw/zinc/15/01/58/537150158.db2.gz DSJFADWPTNKTJS-HNNXBMFYSA-N 1 0 373.494 1.470 20 10 FDCDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000193097787 537239909 /nfs/dbraw/zinc/23/99/09/537239909.db2.gz ZODUKCBJCYJWGQ-QGZVFWFLSA-N 1 0 367.465 1.275 20 10 FDCDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000285794158 537289042 /nfs/dbraw/zinc/28/90/42/537289042.db2.gz UXQICMCOLOMGIG-HIFRSBDPSA-N 1 0 364.465 1.449 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C[N@@H+]1C1CC1 ZINC000285825139 537317805 /nfs/dbraw/zinc/31/78/05/537317805.db2.gz YFQNMIUBIGAABY-YOEHRIQHSA-N 1 0 370.497 1.427 20 10 FDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278568977 537339825 /nfs/dbraw/zinc/33/98/25/537339825.db2.gz BSFMLTMBKJQBKQ-OCCSQVGLSA-N 1 0 370.402 1.155 20 10 FDCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000283336183 537371833 /nfs/dbraw/zinc/37/18/33/537371833.db2.gz CWNXGXXZDCHUPY-MRXNPFEDSA-N 1 0 360.502 1.605 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@]1(C)CCO[C@H]1C1CC1)cc2=O ZINC000273020351 537380290 /nfs/dbraw/zinc/38/02/90/537380290.db2.gz DLRAAVJFCJPJMX-YJBOKZPZSA-N 1 0 360.414 1.659 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3cn[nH]c3)cc2F)CC1 ZINC000290977785 537497665 /nfs/dbraw/zinc/49/76/65/537497665.db2.gz VAGBIGZCRJSNRD-UHFFFAOYSA-N 1 0 374.464 1.733 20 10 FDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275967620 537601151 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COc1ccc(N2CC[NH+](CCCN3C(=O)N[C@H](C4CC4)C3=O)CC2)cc1 ZINC000277290530 781354865 /nfs/dbraw/zinc/35/48/65/781354865.db2.gz JHOUQJUSSCCCBP-GOSISDBHSA-N 1 0 372.469 1.538 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c(OC)c1 ZINC000892098058 781514983 /nfs/dbraw/zinc/51/49/83/781514983.db2.gz WNOJDTWFYYBPEX-HUUCEWRRSA-N 1 0 362.474 1.676 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c(OC)c1 ZINC000892098059 781515423 /nfs/dbraw/zinc/51/54/23/781515423.db2.gz WNOJDTWFYYBPEX-LSDHHAIUSA-N 1 0 362.474 1.676 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1 ZINC000892133197 781712495 /nfs/dbraw/zinc/71/24/95/781712495.db2.gz KSKVPYWMCNOTPP-UHFFFAOYSA-N 1 0 361.534 1.922 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)c(OC)c1 ZINC000892139597 781739600 /nfs/dbraw/zinc/73/96/00/781739600.db2.gz QVLANWPBWKGSRJ-AWEZNQCLSA-N 1 0 350.463 1.663 20 10 FDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892732496 790955488 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ZINC000899097505 845759954 /nfs/dbraw/zinc/75/99/54/845759954.db2.gz BKWDOTAIMJAQIX-IBGZPJMESA-N 1 0 368.485 1.913 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000842229707 845768509 /nfs/dbraw/zinc/76/85/09/845768509.db2.gz LYZLWQPXTVJBHC-HZPDHXFCSA-N 1 0 374.485 1.120 20 10 FDCDRO Cc1nc2n(n1)CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C2 ZINC000899103008 845775403 /nfs/dbraw/zinc/77/54/03/845775403.db2.gz UUWHMVZFNLXDKB-KRWDZBQOSA-N 1 0 371.489 1.481 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2COCCO2)[NH+](C)C)cc1 ZINC000899099035 845792796 /nfs/dbraw/zinc/79/27/96/845792796.db2.gz UVROOOVYOJCMSX-QZTJIDSGSA-N 1 0 364.490 1.412 20 10 FDCDRO CC(=O)N[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899098826 845792927 /nfs/dbraw/zinc/79/29/27/845792927.db2.gz SRLJXPCSQPIKLT-WMZOPIPTSA-N 1 0 361.490 1.275 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](O)(C(F)F)C2)[NH+](C)C)cc1 ZINC000899099288 845793749 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COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C)cc1C ZINC001106054888 865039223 /nfs/dbraw/zinc/03/92/23/865039223.db2.gz LVGVTVIDBKTBBD-IJEWVQPXSA-N 1 0 362.474 1.245 20 10 FDCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979875 877287789 /nfs/dbraw/zinc/28/77/89/877287789.db2.gz WGMNIWZWVYSKJH-AWEZNQCLSA-N 1 0 362.499 1.814 20 10 FDCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922637516 878869107 /nfs/dbraw/zinc/86/91/07/878869107.db2.gz HKFWSSLXVMXFKZ-UHFFFAOYSA-N 1 0 359.467 1.080 20 10 FDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000186701535 881103812 /nfs/dbraw/zinc/10/38/12/881103812.db2.gz FJUINPGIKQRIOZ-YLJYHZDGSA-N 1 0 361.486 1.876 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC000999400434 912687774 /nfs/dbraw/zinc/68/77/74/912687774.db2.gz WQCOEZDDMVODMC-IEZWGBDMSA-N 1 0 362.470 1.888 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CCN(Cc3ccccc3)C1)OCO2 ZINC000702604352 884099489 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20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852493841 967371174 /nfs/dbraw/zinc/37/11/74/967371174.db2.gz DDPKPSLWOYPIEF-FUHWJXTLSA-N 1 0 358.486 1.312 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000852772851 967595912 /nfs/dbraw/zinc/59/59/12/967595912.db2.gz RHMRFZSOSXKJMI-AWEZNQCLSA-N 1 0 355.442 1.458 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000852843770 967650528 /nfs/dbraw/zinc/65/05/28/967650528.db2.gz GQGFGOMMXWXJAE-KGLIPLIRSA-N 1 0 355.442 1.504 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852882229 967687127 /nfs/dbraw/zinc/68/71/27/967687127.db2.gz ANBRZEBNKVEYEY-QGZVFWFLSA-N 1 0 356.474 1.931 20 10 FDCDRO CC(C)CN1C(=O)C(=CNNc2ccc(Cl)c[nH+]2)C(=O)NC1=S ZINC000852999420 967765856 /nfs/dbraw/zinc/76/58/56/967765856.db2.gz ATUMGMWYNDVVBV-POHAHGRESA-N 1 0 353.835 1.435 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H](C)c3nccn3C)CC2)cc1 ZINC000853124108 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1.686 20 10 FDCDRO COc1cc(C(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)cc(O)c1O ZINC001193089977 969458752 /nfs/dbraw/zinc/45/87/52/969458752.db2.gz SYJNESUNGHRNRJ-UHFFFAOYSA-N 1 0 372.425 1.640 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000855230649 970225839 /nfs/dbraw/zinc/22/58/39/970225839.db2.gz GVXJLOOEFPXRCO-KRWDZBQOSA-N 1 0 360.502 1.418 20 10 FDCDRO COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270083 974104125 /nfs/dbraw/zinc/10/41/25/974104125.db2.gz DPKGSZISBKZLTL-HUUCEWRRSA-N 1 0 363.418 1.051 20 10 FDCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)C2)cc1 ZINC000865622338 974389024 /nfs/dbraw/zinc/38/90/24/974389024.db2.gz SUUKISLKOOMBCB-BEFAXECRSA-N 1 0 357.458 1.834 20 10 FDCDRO c1ncn(-c2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccn2)n1 ZINC000865683107 974419490 /nfs/dbraw/zinc/41/94/90/974419490.db2.gz VQOSIWBRBIWXGW-UHFFFAOYSA-N 1 0 350.426 1.789 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1F ZINC000865770211 974476127 /nfs/dbraw/zinc/47/61/27/974476127.db2.gz PBQWHEKRDFSYDJ-GOSISDBHSA-N 1 0 351.422 1.983 20 10 FDCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(O)cccc2OC)cc1 ZINC000865818476 974518450 /nfs/dbraw/zinc/51/84/50/974518450.db2.gz ACGDWFZLXUJEAE-UHFFFAOYSA-N 1 0 350.440 1.641 20 10 FDCDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000106819044 975561275 /nfs/dbraw/zinc/56/12/75/975561275.db2.gz SIOFEDGYCWRGJS-OAHLLOKOSA-N 1 0 355.486 1.855 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866724106 975963258 /nfs/dbraw/zinc/96/32/58/975963258.db2.gz IEOXAESKOOZUGE-OALUTQOASA-N 1 0 358.486 1.170 20 10 FDCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)O1 ZINC000866765425 976013555 /nfs/dbraw/zinc/01/35/55/976013555.db2.gz XTTWFJFSKHGBIW-UKRRQHHQSA-N 1 0 352.818 1.832 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866797454 976065596 /nfs/dbraw/zinc/06/55/96/976065596.db2.gz SDHLGROGBWUVPO-UHFFFAOYSA-N 1 0 368.547 1.118 20 10 FDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnnn2C)c1O ZINC000848532398 976894004 /nfs/dbraw/zinc/89/40/04/976894004.db2.gz HCOOPDBSXCXEBD-MRVPVSSYSA-N 1 0 356.224 1.580 20 10 FDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000848546250 976897476 /nfs/dbraw/zinc/89/74/76/976897476.db2.gz WIRWUJLRDZATRQ-MEBBXXQBSA-N 1 0 359.264 1.881 20 10 FDCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000848546251 976898298 /nfs/dbraw/zinc/89/82/98/976898298.db2.gz WIRWUJLRDZATRQ-ZUZCIYMTSA-N 1 0 359.264 1.881 20 10 FDCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000848595583 976932712 /nfs/dbraw/zinc/93/27/12/976932712.db2.gz MBWWKJCWDXCXPH-JSGCOSHPSA-N 1 0 361.364 1.972 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848934758 977254476 /nfs/dbraw/zinc/25/44/76/977254476.db2.gz NBSSPKKBDDVOMA-RBUKOAKNSA-N 1 0 372.513 1.810 20 10 FDCDRO CCOCCCNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849070051 977301581 /nfs/dbraw/zinc/30/15/81/977301581.db2.gz AOLHLKLVPOHESA-MRXNPFEDSA-N 1 0 361.490 1.429 20 10 FDCDRO C[C@@H](NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868309918 977488474 /nfs/dbraw/zinc/48/84/74/977488474.db2.gz NGZHYOJWXLFGMR-FZKQIMNGSA-N 1 0 369.421 1.869 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849417582 977545193 /nfs/dbraw/zinc/54/51/93/977545193.db2.gz VQGFBRPRVPQZBP-HNNXBMFYSA-N 1 0 355.504 1.535 20 10 FDCDRO COc1cccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1O ZINC000849563235 977755281 /nfs/dbraw/zinc/75/52/81/977755281.db2.gz JEHYWNJIAPVJNB-HOTGVXAUSA-N 1 0 358.442 1.486 20 10 FDCDRO COc1cccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c1O ZINC000850396246 978356863 /nfs/dbraw/zinc/35/68/63/978356863.db2.gz RZWSJNSNHQYZHI-NRFANRHFSA-N 1 0 372.465 1.754 20 10 FDCDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850506715 978406901 /nfs/dbraw/zinc/40/69/01/978406901.db2.gz KKXXHQMIRTUFMN-WBVHZDCISA-N 1 0 352.500 1.826 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@H]3CC[C@H]3C)CC2)cc1 ZINC000850519991 978414944 /nfs/dbraw/zinc/41/49/44/978414944.db2.gz SOXLAWSPULXEJI-QAPCUYQASA-N 1 0 367.515 1.535 20 10 FDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000850567874 978440070 /nfs/dbraw/zinc/44/00/70/978440070.db2.gz LDNWNQBTFVZRBZ-HNNXBMFYSA-N 1 0 366.527 1.951 20 10 FDCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664456 978988927 /nfs/dbraw/zinc/98/89/27/978988927.db2.gz BVEHUZFYBQHSDY-QFBILLFUSA-N 1 0 360.502 1.964 20 10 FDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680473 978995302 /nfs/dbraw/zinc/99/53/02/978995302.db2.gz JSUVKEVAFHECEU-WBVHZDCISA-N 1 0 360.502 1.917 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851689185 978999519 /nfs/dbraw/zinc/99/95/19/978999519.db2.gz LWWYIBISJODSBB-CRAIPNDOSA-N 1 0 374.485 1.024 20 10 FDCDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000851692093 979001522 /nfs/dbraw/zinc/00/15/22/979001522.db2.gz VUKGCIFQIAEWGC-UHFFFAOYSA-N 1 0 371.481 1.922 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000852058905 979313469 /nfs/dbraw/zinc/31/34/69/979313469.db2.gz PVUDRVMWOAUETD-NVXWUHKLSA-N 1 0 373.419 1.815 20 10 FDCDRO CN(C)c1ccc(CNC(=O)Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)cc1 ZINC000881094337 979656711 /nfs/dbraw/zinc/65/67/11/979656711.db2.gz IMAUGQVPNWHJDK-IBGZPJMESA-N 1 0 372.473 1.087 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCNC(=O)C3CC3)cc2)CC1 ZINC000881850544 980211843 /nfs/dbraw/zinc/21/18/43/980211843.db2.gz XZNARDXKWHTEIS-UHFFFAOYSA-N 1 0 358.486 1.361 20 10 FDCDRO C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852161 980215466 /nfs/dbraw/zinc/21/54/66/980215466.db2.gz YNNHTHSRGOBJRC-LPHOPBHVSA-N 1 0 361.486 1.639 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc4cccnn43)cc2)CC1 ZINC000881852900 980216081 /nfs/dbraw/zinc/21/60/81/980216081.db2.gz FLQAAIFSBGIQOH-UHFFFAOYSA-N 1 0 350.426 1.411 20 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/nfs/dbraw/zinc/92/74/72/981927472.db2.gz JAYGCVMHFAPDGV-ZDUSSCGKSA-N 1 0 356.264 1.584 20 10 FDCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000858311734 981980657 /nfs/dbraw/zinc/98/06/57/981980657.db2.gz LPHQDOIIXSANHE-UHFFFAOYSA-N 1 0 361.467 1.639 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000858467963 982066063 /nfs/dbraw/zinc/06/60/63/982066063.db2.gz ZIICURLQGBJEAV-AUUYWEPGSA-N 1 0 350.459 1.667 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858488967 982075161 /nfs/dbraw/zinc/07/51/61/982075161.db2.gz OUQQBFCPZYBULT-OLZOCXBDSA-N 1 0 354.414 1.768 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ncccc3F)cc2)CC1 ZINC000883546257 982259028 /nfs/dbraw/zinc/25/90/28/982259028.db2.gz XNQTXQNUDDXHDG-UHFFFAOYSA-N 1 0 357.433 1.972 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCOC(F)F)cc2)CC1 ZINC000883679343 982371316 /nfs/dbraw/zinc/37/13/16/982371316.db2.gz HTUXRUOORVOUDQ-UHFFFAOYSA-N 1 0 356.417 1.867 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](NC=O)C(C)C)cc2F)CC1 ZINC000859261147 982655964 /nfs/dbraw/zinc/65/59/64/982655964.db2.gz KLASEQMHEGZPBK-SFHVURJKSA-N 1 0 364.465 1.354 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000884633326 983299368 /nfs/dbraw/zinc/29/93/68/983299368.db2.gz COUKNYHHAMSQRP-JSGCOSHPSA-N 1 0 368.428 1.291 20 10 FDCDRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884638318 983304214 /nfs/dbraw/zinc/30/42/14/983304214.db2.gz UJHVZYAQORCFIN-UHFFFAOYSA-N 1 0 360.502 1.881 20 10 FDCDRO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000861565937 983780451 /nfs/dbraw/zinc/78/04/51/983780451.db2.gz NSRNQIUDWNICSD-HNNXBMFYSA-N 1 0 362.474 1.391 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000861767064 983909381 /nfs/dbraw/zinc/90/93/81/983909381.db2.gz MYGVFWDBMUIINZ-OYRHEFFESA-N 1 0 372.513 1.607 20 10 FDCDRO O=C(NCCO)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862219662 984260798 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CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873126234 988591835 /nfs/dbraw/zinc/59/18/35/988591835.db2.gz BEUQTFWWJKPVNR-INIZCTEOSA-N 1 0 362.499 1.897 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1Cn1cccn1 ZINC000873130153 988593908 /nfs/dbraw/zinc/59/39/08/988593908.db2.gz ZQWSJJVUNGJGCJ-IBGZPJMESA-N 1 0 358.486 1.876 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)cc2=O ZINC000296147344 988989917 /nfs/dbraw/zinc/98/99/17/988989917.db2.gz SDRZCNFOMCJHIH-CYBMUJFWSA-N 1 0 362.430 1.595 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1F ZINC000368703712 989004019 /nfs/dbraw/zinc/00/40/19/989004019.db2.gz JXLWNLHVSNOOPW-UHFFFAOYSA-N 1 0 366.481 1.880 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369027593 989021000 /nfs/dbraw/zinc/02/10/00/989021000.db2.gz MYBOSTFIRQJYII-RTBURBONSA-N 1 0 358.486 1.949 20 10 FDCDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)CCN2C)C[NH+]1CCN(C)CC1 ZINC000363790328 989441054 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CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(=O)[nH]n2)[NH+](C)C)cc1 ZINC000895079889 820050574 /nfs/dbraw/zinc/05/05/74/820050574.db2.gz CWMDTIUFJRNEMF-MRXNPFEDSA-N 1 0 358.446 1.350 20 10 FDCDRO CCN(OC)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895514354 822635087 /nfs/dbraw/zinc/63/50/87/822635087.db2.gz NGAATLHRQYXVIL-INIZCTEOSA-N 1 0 365.478 1.064 20 10 FDCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000895764334 822734259 /nfs/dbraw/zinc/73/42/59/822734259.db2.gz GAESRZJFYSTBMT-ZDUSSCGKSA-N 1 0 355.232 1.540 20 10 FDCDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000896444565 824417343 /nfs/dbraw/zinc/41/73/43/824417343.db2.gz MPUXOZJRVPYPMI-MJGOQNOKSA-N 1 0 357.502 1.284 20 10 FDCDRO COCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC001088216609 827525837 /nfs/dbraw/zinc/52/58/37/827525837.db2.gz QOFPMBOOTHMVSH-CABCVRRESA-N 1 0 359.430 1.889 20 10 FDCDRO [NH3+]CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000841710402 835054431 /nfs/dbraw/zinc/05/44/31/835054431.db2.gz UEHKHWMKQJADCN-UHFFFAOYSA-N 1 0 360.380 1.690 20 10 FDCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1CS(N)(=O)=O ZINC000897607785 839947813 /nfs/dbraw/zinc/94/78/13/839947813.db2.gz QAIQHZSWBOPWRM-ZJUUUORDSA-N 1 0 363.277 1.511 20 10 FDCDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897618193 840021338 /nfs/dbraw/zinc/02/13/38/840021338.db2.gz AKRQZIARFCGAIO-TXEJJXNPSA-N 1 0 360.273 1.940 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1F ZINC000841978367 840318452 /nfs/dbraw/zinc/31/84/52/840318452.db2.gz QONPTWOOUUKGMK-XJKSGUPXSA-N 1 0 350.438 1.664 20 10 FDCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842026244 840792388 /nfs/dbraw/zinc/79/23/88/840792388.db2.gz LGAWATGFKXNIEU-MRXNPFEDSA-N 1 0 374.529 1.944 20 10 FDCDRO C[C@H](N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000898320203 840942133 /nfs/dbraw/zinc/94/21/33/840942133.db2.gz KTCYWYQGCFAVKW-INIZCTEOSA-N 1 0 374.529 1.948 20 10 FDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2c(O)cccc2Br)[C@@H](CO)C1 ZINC000898352200 840987923 /nfs/dbraw/zinc/98/79/23/840987923.db2.gz XMQCCPKGJAJDKE-MFKMUULPSA-N 1 0 373.247 1.694 20 10 FDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](CO)C1 ZINC000898358769 840995202 /nfs/dbraw/zinc/99/52/02/840995202.db2.gz IQOSWOGLFWHZNH-AEFFLSMTSA-N 1 0 363.458 1.062 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000842147925 844937919 /nfs/dbraw/zinc/93/79/19/844937919.db2.gz IZPRVNWSRDYJDC-GXTWGEPZSA-N 1 0 350.438 1.012 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842153660 845017322 /nfs/dbraw/zinc/01/73/22/845017322.db2.gz PHBSYWXKJHEWBI-FQEVSTJZSA-N 1 0 358.486 1.279 20 10 FDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170505 845241464 /nfs/dbraw/zinc/24/14/64/845241464.db2.gz HMGSAIAZYWVTNW-NVXWUHKLSA-N 1 0 356.470 1.265 20 10 FDCDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842224937 845735177 /nfs/dbraw/zinc/73/51/77/845735177.db2.gz QZHPSLBRRFYDKT-INIZCTEOSA-N 1 0 363.458 1.016 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842229298 845770072 /nfs/dbraw/zinc/77/00/72/845770072.db2.gz PGMCXNSWCYKFOC-SJORKVTESA-N 1 0 360.502 1.876 20 10 FDCDRO CC(C)N(C[C@@H](O)CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098657 845792809 /nfs/dbraw/zinc/79/28/09/845792809.db2.gz QRPRTHCLFOGICG-QZTJIDSGSA-N 1 0 366.506 1.129 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](F)(CO)C2)[NH+](C)C)cc1 ZINC000899100566 845797514 /nfs/dbraw/zinc/79/75/14/845797514.db2.gz ANWNAHQIIIPBNQ-AEFFLSMTSA-N 1 0 352.454 1.471 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC000899101051 845798441 /nfs/dbraw/zinc/79/84/41/845798441.db2.gz HLQKQBDXGVIYKG-SFHVURJKSA-N 1 0 358.490 1.930 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC000899101050 845798778 /nfs/dbraw/zinc/79/87/78/845798778.db2.gz HLQKQBDXGVIYKG-GOSISDBHSA-N 1 0 358.490 1.930 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000842265783 846126394 /nfs/dbraw/zinc/12/63/94/846126394.db2.gz NTUBQBHTBZVLFC-QAPCUYQASA-N 1 0 360.502 1.604 20 10 FDCDRO COC(=O)CCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724196 846625743 /nfs/dbraw/zinc/62/57/43/846625743.db2.gz KUBKKUIAFFZOIU-MRXNPFEDSA-N 1 0 366.531 1.773 20 10 FDCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000905788767 852290839 /nfs/dbraw/zinc/29/08/39/852290839.db2.gz LXFBUCAJNGFZQE-IBGZPJMESA-N 1 0 354.454 1.837 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906224242 852687949 /nfs/dbraw/zinc/68/79/49/852687949.db2.gz ZYGNLBAVVITBCQ-UHFFFAOYSA-N 1 0 355.442 1.453 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(N)cc2)[NH+](C)C)cc1 ZINC000908460252 855445498 /nfs/dbraw/zinc/44/54/98/855445498.db2.gz QOGQKFVVZSUIEM-GOSISDBHSA-N 1 0 362.499 1.916 20 10 FDCDRO C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458512 855471603 /nfs/dbraw/zinc/47/16/03/855471603.db2.gz XQCJNWZLJAEAIC-RDTXWAMCSA-N 1 0 368.547 1.920 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911054632 858050914 /nfs/dbraw/zinc/05/09/14/858050914.db2.gz JOCIYOVKYGGPBU-MRXNPFEDSA-N 1 0 368.528 1.486 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911122271 858173608 /nfs/dbraw/zinc/17/36/08/858173608.db2.gz BZZYQHMRGQVNGH-YLJYHZDGSA-N 1 0 358.486 1.326 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000911399917 858585749 /nfs/dbraw/zinc/58/57/49/858585749.db2.gz GALMWMALAJBVSD-NVXWUHKLSA-N 1 0 372.513 1.605 20 10 FDCDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000911535799 858709868 /nfs/dbraw/zinc/70/98/68/858709868.db2.gz HMHKVBMIDZKRRW-USXIJHARSA-N 1 0 369.421 1.523 20 10 FDCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000073915484 881356179 /nfs/dbraw/zinc/35/61/79/881356179.db2.gz GYTPFYLRHXFZOV-HNNXBMFYSA-N 1 0 365.497 1.574 20 10 FDCDRO COCCC[N@H+](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761407229 868022072 /nfs/dbraw/zinc/02/20/72/868022072.db2.gz MHKWWWPZLGQXTR-UHFFFAOYSA-N 1 0 369.849 1.778 20 10 FDCDRO COC[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1=O ZINC000761932420 874849609 /nfs/dbraw/zinc/84/96/09/874849609.db2.gz RQOSLPAMOILHAN-GOSISDBHSA-N 1 0 372.469 1.285 20 10 FDCDRO CCOc1cccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000922768342 879225796 /nfs/dbraw/zinc/22/57/96/879225796.db2.gz GHNIURIQLDBXAJ-UHFFFAOYSA-N 1 0 371.437 1.313 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4[nH]c(=O)[nH]c43)cc2)CC1 ZINC000918846364 884967608 /nfs/dbraw/zinc/96/76/08/884967608.db2.gz RSGUKXKSEILQKI-UHFFFAOYSA-N 1 0 365.437 1.950 20 10 FDCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH3+])cc1I ZINC001236252452 886338839 /nfs/dbraw/zinc/33/88/39/886338839.db2.gz LWXWZKYKYUSQDO-SNVBAGLBSA-N 1 0 362.211 1.929 20 10 FDCDRO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+]1CCCC[C@H]1C ZINC000920448952 886941166 /nfs/dbraw/zinc/94/11/66/886941166.db2.gz TUUQMJWOHBLBJM-CHWSQXEVSA-N 1 0 369.487 1.756 20 10 FDCDRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+]1CCCC[C@@H]1C ZINC000920448955 886941229 /nfs/dbraw/zinc/94/12/29/886941229.db2.gz TUUQMJWOHBLBJM-STQMWFEESA-N 1 0 369.487 1.756 20 10 FDCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)NC[C@H]1CCCCO1 ZINC000921726960 897371113 /nfs/dbraw/zinc/37/11/13/897371113.db2.gz XUXOOMXYOHXAGX-QGZVFWFLSA-N 1 0 368.499 1.590 20 10 FDCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785429256 905163807 /nfs/dbraw/zinc/16/38/07/905163807.db2.gz XWBHHAVQXUHFMH-ZACQAIPSSA-N 1 0 374.529 1.851 20 10 FDCDRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccccc1O ZINC000731843706 918669423 /nfs/dbraw/zinc/66/94/23/918669423.db2.gz SBIUWCAQANUHBK-MHWRWJLKSA-N 1 0 350.440 1.804 20 10 FDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732274723 919291937 /nfs/dbraw/zinc/29/19/37/919291937.db2.gz NBFIOHCFGRCDLO-SJLPKXTDSA-N 1 0 358.486 1.489 20 10 FDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732274721 919293159 /nfs/dbraw/zinc/29/31/59/919293159.db2.gz NBFIOHCFGRCDLO-FUHWJXTLSA-N 1 0 358.486 1.489 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733854965 922144973 /nfs/dbraw/zinc/14/49/73/922144973.db2.gz AIRAOKLRHLQQHH-UHFFFAOYSA-N 1 0 351.366 1.570 20 10 FDCDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746316941 927820668 /nfs/dbraw/zinc/82/06/68/927820668.db2.gz GCAAMFCGFSIOQO-IBGZPJMESA-N 1 0 371.456 1.973 20 10 FDCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000767359572 929242848 /nfs/dbraw/zinc/24/28/48/929242848.db2.gz IPBPNACOWUSHFD-UHFFFAOYSA-N 1 0 354.516 1.904 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](OC)C(C)C)CC2)cc1 ZINC000769792107 929680600 /nfs/dbraw/zinc/68/06/00/929680600.db2.gz GFTXIKKBGPZOFQ-IBGZPJMESA-N 1 0 363.502 1.995 20 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370.515 1.045 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000868356930 977526111 /nfs/dbraw/zinc/52/61/11/977526111.db2.gz JKXOVTVCKGONDT-SJLPKXTDSA-N 1 0 372.513 1.689 20 10 FDCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(O)c1 ZINC000849584077 977788127 /nfs/dbraw/zinc/78/81/27/977788127.db2.gz CFZGBYUZJCTISB-SJORKVTESA-N 1 0 358.442 1.486 20 10 FDCDRO COc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850286699 978291020 /nfs/dbraw/zinc/29/10/20/978291020.db2.gz IXOXBYOEYZHTRY-UHFFFAOYSA-N 1 0 356.488 1.868 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000850586463 978447998 /nfs/dbraw/zinc/44/79/98/978447998.db2.gz UWOUVLJUIQACEV-CQSZACIVSA-N 1 0 365.415 1.034 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000850586903 978448835 /nfs/dbraw/zinc/44/88/35/978448835.db2.gz KBVGZCNINKCRMI-AWEZNQCLSA-N 1 0 363.439 1.460 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)cc1 ZINC000851640010 978981839 /nfs/dbraw/zinc/98/18/39/978981839.db2.gz PBVYWQWGCRHCKO-CQSZACIVSA-N 1 0 370.457 1.220 20 10 FDCDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680359 978994971 /nfs/dbraw/zinc/99/49/71/978994971.db2.gz IJORCWOIKSWFQF-QGZVFWFLSA-N 1 0 360.502 1.789 20 10 FDCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1[NH3+] ZINC000851681867 978995587 /nfs/dbraw/zinc/99/55/87/978995587.db2.gz RJSZYSRRSIBKLH-VQIMIIECSA-N 1 0 360.502 1.917 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1F ZINC000851685760 978997543 /nfs/dbraw/zinc/99/75/43/978997543.db2.gz FVCUKQMCXMNGAP-UHFFFAOYSA-N 1 0 352.454 1.484 20 10 FDCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851688762 978999580 /nfs/dbraw/zinc/99/95/80/978999580.db2.gz FWXOPHJLJMJOJX-AWEZNQCLSA-N 1 0 362.474 1.024 20 10 FDCDRO Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])CO)nn2)c(C)n1-c1ccc(C)cc1 ZINC000880983063 979562272 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O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857854928 981712867 /nfs/dbraw/zinc/71/28/67/981712867.db2.gz SEWDSDLTHVYUIR-KRWDZBQOSA-N 1 0 360.483 1.812 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)CC1 ZINC000882880572 981770641 /nfs/dbraw/zinc/77/06/41/981770641.db2.gz YTJUAGJXJCTISG-UHFFFAOYSA-N 1 0 367.500 1.154 20 10 FDCDRO Cn1cc(CCCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883294629 982051823 /nfs/dbraw/zinc/05/18/23/982051823.db2.gz FPYVBECFHRKABB-UHFFFAOYSA-N 1 0 370.501 1.604 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000883370447 982098609 /nfs/dbraw/zinc/09/86/09/982098609.db2.gz LMIMNWDSBXKWHN-IRXDYDNUSA-N 1 0 363.502 1.848 20 10 FDCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858548475 982108872 /nfs/dbraw/zinc/10/88/72/982108872.db2.gz MIGSAQHLNPWIER-CMPLNLGQSA-N 1 0 359.264 1.881 20 10 FDCDRO Cc1nn(C)c(C)c1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883480714 982201762 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COc1cccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000371091994 677645814 /nfs/dbraw/zinc/64/58/14/677645814.db2.gz YGHYIVXOFDUYGK-UHFFFAOYSA-N 1 0 354.472 1.837 20 10 FDCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCNC(=O)C1 ZINC000371119756 677648269 /nfs/dbraw/zinc/64/82/69/677648269.db2.gz VHSSIJJIHJMURR-SWLSCSKDSA-N 1 0 365.861 1.652 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000175773989 771287430 /nfs/dbraw/zinc/28/74/30/771287430.db2.gz HCBNMLXHUTVESR-LSDHHAIUSA-N 1 0 364.490 1.645 20 10 FDCDRO Cc1csc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000891144068 773412460 /nfs/dbraw/zinc/41/24/60/773412460.db2.gz BNNIOKMSINZJFB-UHFFFAOYSA-N 1 0 373.482 1.458 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[NH+](C)C)cc1 ZINC000891247508 774094130 /nfs/dbraw/zinc/09/41/30/774094130.db2.gz HVTVKGFRTGPPNT-VQIMIIECSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000891248188 774101738 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C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000914292741 872246701 /nfs/dbraw/zinc/24/67/01/872246701.db2.gz ZFVGIQJOFGBKBT-INIZCTEOSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]2C)cc1C ZINC001106742669 877424668 /nfs/dbraw/zinc/42/46/68/877424668.db2.gz MBCDPBFIMRTFTB-NVXWUHKLSA-N 1 0 361.486 1.666 20 10 FDCDRO COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918906067 885002994 /nfs/dbraw/zinc/00/29/94/885002994.db2.gz LCEVYAICEUUYIL-HXUWFJFHSA-N 1 0 369.465 1.797 20 10 FDCDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000919654480 885982997 /nfs/dbraw/zinc/98/29/97/885982997.db2.gz LWVJYNUPARXFBG-IAGOWNOFSA-N 1 0 373.501 1.282 20 10 FDCDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1c(O)cccc1F ZINC000921452250 888016188 /nfs/dbraw/zinc/01/61/88/888016188.db2.gz IYEUZGCTWFFHOC-UHFFFAOYSA-N 1 0 370.450 1.385 20 10 FDCDRO CC[N@H+](CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000804221991 889247347 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ZINC000790272374 933460330 /nfs/dbraw/zinc/46/03/30/933460330.db2.gz DUHHUCVKDONELU-JCGIZDLHSA-N 1 0 358.486 1.673 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804731254 938556409 /nfs/dbraw/zinc/55/64/09/938556409.db2.gz KWPZGXQWBJGRSW-QGZVFWFLSA-N 1 0 358.486 1.278 20 10 FDCDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282107 939880180 /nfs/dbraw/zinc/88/01/80/939880180.db2.gz PUAKGWBDTFOISC-UHFFFAOYSA-N 1 0 370.544 1.684 20 10 FDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282666 939880673 /nfs/dbraw/zinc/88/06/73/939880673.db2.gz PTSHQUVRJLIXOS-CYBMUJFWSA-N 1 0 370.544 1.542 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000807671637 940448863 /nfs/dbraw/zinc/44/88/63/940448863.db2.gz RDLACAJDUVHWEU-KBXCAEBGSA-N 1 0 358.486 1.625 20 10 FDCDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000747581472 940926294 /nfs/dbraw/zinc/92/62/94/940926294.db2.gz PJIFWPKXBUQGFL-MRXNPFEDSA-N 1 0 361.490 1.091 20 10 FDCDRO CNc1nc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001134882043 941789009 /nfs/dbraw/zinc/78/90/09/941789009.db2.gz KQFHCTVEIQKSRT-KRWDZBQOSA-N 1 0 356.474 1.925 20 10 FDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c(O)c1 ZINC000815586696 941912885 /nfs/dbraw/zinc/91/28/85/941912885.db2.gz OZLYHGLBUVNOTO-ZDUSSCGKSA-N 1 0 353.444 1.767 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CCO)CC1)cc2=O ZINC000817296240 942681367 /nfs/dbraw/zinc/68/13/67/942681367.db2.gz GTNDMVCYPXDDHG-ZDUSSCGKSA-N 1 0 362.430 1.596 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000817811080 942964870 /nfs/dbraw/zinc/96/48/70/942964870.db2.gz DURMTURZQJJSPG-AWEZNQCLSA-N 1 0 364.465 1.356 20 10 FDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894582 943068266 /nfs/dbraw/zinc/06/82/66/943068266.db2.gz NCGUQJQDOHKWGN-RTBURBONSA-N 1 0 361.486 1.279 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000817917732 943076402 /nfs/dbraw/zinc/07/64/02/943076402.db2.gz DVRHNOOCISVMMS-CGTJXYLNSA-N 1 0 358.486 1.297 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000817922502 943079169 /nfs/dbraw/zinc/07/91/69/943079169.db2.gz XDXUDNPHFXBLFN-UHFFFAOYSA-N 1 0 362.518 1.935 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000817931364 943098071 /nfs/dbraw/zinc/09/80/71/943098071.db2.gz REVBUFRRIDVBER-FUHWJXTLSA-N 1 0 374.529 1.933 20 10 FDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967106 943385299 /nfs/dbraw/zinc/38/52/99/943385299.db2.gz RPHOQHDCVMLAQJ-KBPBESRZSA-N 1 0 353.438 1.939 20 10 FDCDRO CCc1cc(C[NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)[nH]n1 ZINC000819055809 943397270 /nfs/dbraw/zinc/39/72/70/943397270.db2.gz ZIJNVDQHUVXKPA-IBGZPJMESA-N 1 0 373.501 1.253 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@]3(C)CCCO3)CC2)cc1 ZINC000819146287 943439993 /nfs/dbraw/zinc/43/99/93/943439993.db2.gz TWEGNJYORUUAEF-QUCCMNQESA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cc(C)ccn3)CC2)cc1 ZINC000819333060 943530298 /nfs/dbraw/zinc/53/02/98/943530298.db2.gz FTUGFTZMZVDOBM-HXUWFJFHSA-N 1 0 370.497 1.671 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H](OC)C3CC3)CC2)cc1 ZINC000819334848 943531341 /nfs/dbraw/zinc/53/13/41/943531341.db2.gz MDFNIBYPSIBEGU-QUCCMNQESA-N 1 0 363.502 1.193 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358688 943541037 /nfs/dbraw/zinc/54/10/37/943541037.db2.gz NZQBZFQSXAPJCH-DZGCQCFKSA-N 1 0 374.428 1.303 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000819369040 943560151 /nfs/dbraw/zinc/56/01/51/943560151.db2.gz RVRDXWLQMMVKCD-JFIYKMOQSA-N 1 0 365.543 1.662 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2)CC1 ZINC000822321202 944936827 /nfs/dbraw/zinc/93/68/27/944936827.db2.gz XSJDQJPOIFRCTG-UHFFFAOYSA-N 1 0 358.486 1.313 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3Cc4cccnc4C3)CC2)cc1 ZINC000823001722 945375046 /nfs/dbraw/zinc/37/50/46/945375046.db2.gz PJKPUPKWNZRELE-LJQANCHMSA-N 1 0 368.481 1.589 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(O)CCOCC3)cc2F)CC1 ZINC000772869141 945696734 /nfs/dbraw/zinc/69/67/34/945696734.db2.gz AEVDHAAJRALPQA-UHFFFAOYSA-N 1 0 365.449 1.125 20 10 FDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[N@H+]1C ZINC000823523866 945797976 /nfs/dbraw/zinc/79/79/76/945797976.db2.gz LBHBWGDWQIOJPF-IYBDPMFKSA-N 1 0 360.502 1.882 20 10 FDCDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)O1 ZINC000825399671 947223667 /nfs/dbraw/zinc/22/36/67/947223667.db2.gz ALGSCAILYFXXMR-JSGCOSHPSA-N 1 0 357.248 1.880 20 10 FDCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000856721536 971347948 /nfs/dbraw/zinc/34/79/48/971347948.db2.gz MKENNMLHJXUFHR-UHFFFAOYSA-N 1 0 355.446 1.476 20 10 FDCDRO CC[C@@]1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844190388 947829689 /nfs/dbraw/zinc/82/96/89/947829689.db2.gz LQOLGEHWRVYNBZ-FQEVSTJZSA-N 1 0 360.502 1.466 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217760 947844240 /nfs/dbraw/zinc/84/42/40/947844240.db2.gz MFIYZQQEOOEYKE-KRWDZBQOSA-N 1 0 360.502 1.275 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844218926 947846185 /nfs/dbraw/zinc/84/61/85/947846185.db2.gz FKFAPLJWGXMSFD-SJORKVTESA-N 1 0 360.502 1.403 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1F ZINC000844221303 947853767 /nfs/dbraw/zinc/85/37/67/947853767.db2.gz MMTOHGMHDQPOQI-PMACEKPBSA-N 1 0 373.472 1.887 20 10 FDCDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844380322 948038766 /nfs/dbraw/zinc/03/87/66/948038766.db2.gz RVPOWVYBSJUONY-LPHOPBHVSA-N 1 0 363.502 1.731 20 10 FDCDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700495 971551125 /nfs/dbraw/zinc/55/11/25/971551125.db2.gz PFZXGIIPOJOHPM-CVEARBPZSA-N 1 0 353.532 1.692 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3nonc3C)cc2F)CC1 ZINC000845452464 949339325 /nfs/dbraw/zinc/33/93/25/949339325.db2.gz XSXBTZIXSYNHCS-UHFFFAOYSA-N 1 0 361.421 1.518 20 10 FDCDRO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2Cc2c(O)cc(O)cc2O)CC1 ZINC001144508640 949699404 /nfs/dbraw/zinc/69/94/04/949699404.db2.gz TXVVNXCNFKWLTB-UHFFFAOYSA-N 1 0 363.458 1.322 20 10 FDCDRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144507786 949732877 /nfs/dbraw/zinc/73/28/77/949732877.db2.gz CMYQCJSRMGWNSJ-QGZVFWFLSA-N 1 0 370.471 1.584 20 10 FDCDRO Cn1cc(N2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)cn1 ZINC000775707721 971621220 /nfs/dbraw/zinc/62/12/20/971621220.db2.gz ZQKAEUQBTBTRRV-UHFFFAOYSA-N 1 0 368.485 1.021 20 10 FDCDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000846290775 950864970 /nfs/dbraw/zinc/86/49/70/950864970.db2.gz FHASUZPSGZPTAP-UHFFFAOYSA-N 1 0 357.476 1.471 20 10 FDCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846342639 950963348 /nfs/dbraw/zinc/96/33/48/950963348.db2.gz JUJHQTCKIFHYJA-UHFFFAOYSA-N 1 0 364.490 1.224 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)C1 ZINC000846672779 951437470 /nfs/dbraw/zinc/43/74/70/951437470.db2.gz KWXRGLHNJHISMD-QRQLOZEOSA-N 1 0 370.497 1.535 20 10 FDCDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001146666665 952153150 /nfs/dbraw/zinc/15/31/50/952153150.db2.gz OFCNNVCWIOPGTL-OAHLLOKOSA-N 1 0 367.515 1.125 20 10 FDCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001147891907 952559886 /nfs/dbraw/zinc/55/98/86/952559886.db2.gz WAEYFGWMBNTRCV-NSHDSACASA-N 1 0 363.439 1.382 20 10 FDCDRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000774429147 962160300 /nfs/dbraw/zinc/16/03/00/962160300.db2.gz JQIRSDROFHVRJS-UHFFFAOYSA-N 1 0 360.502 1.702 20 10 FDCDRO COc1cccc(O)c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000773426982 962980239 /nfs/dbraw/zinc/98/02/39/962980239.db2.gz PLLDKWVRDKWXPU-UHFFFAOYSA-N 1 0 366.439 1.941 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)Cc3ncccn3)CC2)cc1 ZINC001175708342 963280417 /nfs/dbraw/zinc/28/04/17/963280417.db2.gz STOHMBYOCYDXND-SFHVURJKSA-N 1 0 371.485 1.100 20 10 FDCDRO CN(c1cnn(CC[NH+](C)C)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001176448552 963448084 /nfs/dbraw/zinc/44/80/84/963448084.db2.gz IKUIULWXBFVVLQ-UHFFFAOYSA-N 1 0 351.476 1.036 20 10 FDCDRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)nc2)CC1 ZINC001179683123 964955176 /nfs/dbraw/zinc/95/51/76/964955176.db2.gz FJJGRKWFMBYUCX-XVNBXDOJSA-N 1 0 354.410 1.897 20 10 FDCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852401035 967276221 /nfs/dbraw/zinc/27/62/21/967276221.db2.gz CRNAPEKHZVICGN-MAEOIBBWSA-N 1 0 360.502 1.787 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO)cc2=O ZINC000852427106 967292080 /nfs/dbraw/zinc/29/20/80/967292080.db2.gz ZUZIBKIIZDTTFR-SWLSCSKDSA-N 1 0 362.430 1.595 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852493843 967371670 /nfs/dbraw/zinc/37/16/70/967371670.db2.gz DDPKPSLWOYPIEF-WMZOPIPTSA-N 1 0 358.486 1.312 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000852772853 967597681 /nfs/dbraw/zinc/59/76/81/967597681.db2.gz RHMRFZSOSXKJMI-CQSZACIVSA-N 1 0 355.442 1.458 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000852860192 967666443 /nfs/dbraw/zinc/66/64/43/967666443.db2.gz MVZDSRLZNDSKND-GGKPKWOWSA-N 1 0 365.449 1.419 20 10 FDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852883229 967687111 /nfs/dbraw/zinc/68/71/11/967687111.db2.gz VMNFOJIBOXNDQH-SJORKVTESA-N 1 0 360.458 1.364 20 10 FDCDRO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000853464361 968029036 /nfs/dbraw/zinc/02/90/36/968029036.db2.gz SDTTWXUUBJKHBJ-QGZVFWFLSA-N 1 0 373.501 1.091 20 10 FDCDRO COc1cc(C(=O)N2CCc3c(C[N@H+](C)C(C)C)[nH]nc3C2)cc(O)c1O 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848632333 976965308 /nfs/dbraw/zinc/96/53/08/976965308.db2.gz OVXWZZIVGQGFGG-IZAXUBKRSA-N 1 0 374.529 1.946 20 10 FDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000848896572 977227422 /nfs/dbraw/zinc/22/74/22/977227422.db2.gz DAUDZLOQCOMAEG-MRXNPFEDSA-N 1 0 356.488 1.533 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850059968 978133959 /nfs/dbraw/zinc/13/39/59/978133959.db2.gz PGYISQWRYJTGJY-AETAKHFUSA-N 1 0 359.470 1.676 20 10 FDCDRO CCOc1ccncc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850585799 978448079 /nfs/dbraw/zinc/44/80/79/978448079.db2.gz AMOHCBCPRSVBDV-HNNXBMFYSA-N 1 0 364.471 1.525 20 10 FDCDRO CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000850692070 978617198 /nfs/dbraw/zinc/61/71/98/978617198.db2.gz MHFPFWVKYYXRNR-GOSISDBHSA-N 1 0 360.502 1.654 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 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FDCDRO C[C@@H](Cn1cccn1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883118327 981960921 /nfs/dbraw/zinc/96/09/21/981960921.db2.gz SZKIKNHHGLVJNU-INIZCTEOSA-N 1 0 356.474 1.523 20 10 FDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000883168225 981994627 /nfs/dbraw/zinc/99/46/27/981994627.db2.gz SBGPGTRJBKISTK-AEFFLSMTSA-N 1 0 373.501 1.282 20 10 FDCDRO CO[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000883409081 982118152 /nfs/dbraw/zinc/11/81/52/982118152.db2.gz OBCRMBMAAYMNOY-OAHLLOKOSA-N 1 0 374.407 1.815 20 10 FDCDRO CC(C)N1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000883440114 982145824 /nfs/dbraw/zinc/14/58/24/982145824.db2.gz JJGDEQVWUBTRDF-QGZVFWFLSA-N 1 0 373.501 1.247 20 10 FDCDRO C[C@@H](CO)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000131993497 982216655 /nfs/dbraw/zinc/21/66/55/982216655.db2.gz RRVAINCCTCVGQW-SOUVJXGZSA-N 1 0 367.465 1.368 20 10 FDCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000884194830 982970886 /nfs/dbraw/zinc/97/08/86/982970886.db2.gz SLFDPYFZSFOMIB-ZENOOKHLSA-N 1 0 353.438 1.419 20 10 FDCDRO COCC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203844 982979455 /nfs/dbraw/zinc/97/94/55/982979455.db2.gz GRTRRYQRWYBWLC-OAHLLOKOSA-N 1 0 357.401 1.737 20 10 FDCDRO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229395 983004354 /nfs/dbraw/zinc/00/43/54/983004354.db2.gz PJGOSWDLIXBTML-SWLSCSKDSA-N 1 0 357.401 1.737 20 10 FDCDRO CCC(O)(CC)C[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000860059730 983204412 /nfs/dbraw/zinc/20/44/12/983204412.db2.gz FBHIYKIEJQALQD-UHFFFAOYSA-N 1 0 363.502 1.827 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)CC2)cc1 ZINC000860125234 983247782 /nfs/dbraw/zinc/24/77/82/983247782.db2.gz CYRMHXQGOPEJPU-QKYXUNIQSA-N 1 0 359.470 1.189 20 10 FDCDRO C[NH2+]CCOCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861647984 983800842 /nfs/dbraw/zinc/80/08/42/983800842.db2.gz 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PKXDKLAFROFXKZ-KRWDZBQOSA-N 1 0 371.529 1.797 20 10 FDCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1COCC2 ZINC000373491379 992247499 /nfs/dbraw/zinc/24/74/99/992247499.db2.gz VETMEWRWTSRDDF-FXAWDEMLSA-N 1 0 360.454 1.535 20 10 FDCDRO CCN1CC[NH+](CCCCNC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000373611949 992321437 /nfs/dbraw/zinc/32/14/37/992321437.db2.gz XBLWBGVZIAEVOM-UHFFFAOYSA-N 1 0 373.545 1.896 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000876507083 992672509 /nfs/dbraw/zinc/67/25/09/992672509.db2.gz VFTFUAUOBUBFPV-INIZCTEOSA-N 1 0 368.437 1.538 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(C[NH3+])nc3)cc2F)C[C@H](C)O1 ZINC000876730325 992843445 /nfs/dbraw/zinc/84/34/45/992843445.db2.gz GURUMRCTDASERH-BETUJISGSA-N 1 0 373.432 1.618 20 10 FDCDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876731882 992845691 /nfs/dbraw/zinc/84/56/91/992845691.db2.gz VPCOWCLQQRLCNX-VOKGJARPSA-N 1 0 361.461 1.959 20 10 FDCDRO C[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[NH2+]CCO1 ZINC000876742436 992860503 /nfs/dbraw/zinc/86/05/03/992860503.db2.gz UHMVIKJABYCRKY-SFHVURJKSA-N 1 0 369.412 1.752 20 10 FDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000876782780 992910687 /nfs/dbraw/zinc/91/06/87/992910687.db2.gz UUNVINPALATFMX-OQRUQETBSA-N 1 0 372.513 1.345 20 10 FDCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)CCN2C1=O ZINC000876803972 992920022 /nfs/dbraw/zinc/92/00/22/992920022.db2.gz LGQXPCRQUSGUNI-SFHVURJKSA-N 1 0 372.469 1.116 20 10 FDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000876872747 992943283 /nfs/dbraw/zinc/94/32/83/992943283.db2.gz LOPGAPSRXIHDRT-SFHVURJKSA-N 1 0 369.469 1.823 20 10 FDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000877033631 993022321 /nfs/dbraw/zinc/02/23/21/993022321.db2.gz IVCXVTUWZNRYHO-UHFFFAOYSA-N 1 0 364.467 1.603 20 10 FDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000877174734 993086599 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FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@]34C[C@H]3COC43CCC3)cc2)CC1 ZINC000924007833 994320126 /nfs/dbraw/zinc/32/01/26/994320126.db2.gz PQFDVZHBNSOGSN-LAUBAEHRSA-N 1 0 370.497 1.949 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3[C@H](CC[N@@H+]3C)C1)cc2=O ZINC000879577861 995035717 /nfs/dbraw/zinc/03/57/17/995035717.db2.gz NJXHIZYCXZWYJB-DOMZBBRYSA-N 1 0 359.430 1.138 20 10 FDCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925055079 995266119 /nfs/dbraw/zinc/26/61/19/995266119.db2.gz KFCRSGXARPYVSY-GDBMZVCRSA-N 1 0 365.499 1.068 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](c4cccnc4)C3=O)cc2)CC1 ZINC000925080199 995278411 /nfs/dbraw/zinc/27/84/11/995278411.db2.gz RMYVNVYKYSBKIG-SFHVURJKSA-N 1 0 365.437 1.627 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3[C@H]1CCC[N@@H+]3C)cc2=O ZINC000880137822 995672375 /nfs/dbraw/zinc/67/23/75/995672375.db2.gz LACMPUPXKOEGDI-LSDHHAIUSA-N 1 0 359.430 1.280 20 10 FDCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC000880262975 995766606 /nfs/dbraw/zinc/76/66/06/995766606.db2.gz UVOXNOCAKSTNDU-QGZVFWFLSA-N 1 0 367.497 1.975 20 10 FDCDRO O=C(CNC(=O)C[NH2+][C@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000926965268 996377601 /nfs/dbraw/zinc/37/76/01/996377601.db2.gz RQDHFJHVQVDOQR-INIZCTEOSA-N 1 0 353.422 1.402 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000887640124 997564042 /nfs/dbraw/zinc/56/40/42/997564042.db2.gz ODLPGXSWIRNSIP-CALCHBBNSA-N 1 0 358.486 1.869 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000889658877 998508043 /nfs/dbraw/zinc/50/80/43/998508043.db2.gz MOTPCYPPENHMPX-SFHVURJKSA-N 1 0 364.465 1.708 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCn4nncc4C3)cc2)CC1 ZINC000889659300 998508198 /nfs/dbraw/zinc/50/81/98/998508198.db2.gz ULSPRGRCYPPIGG-UHFFFAOYSA-N 1 0 369.473 1.145 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](CO)C3)cc2)CC1 ZINC000889661197 998510379 /nfs/dbraw/zinc/51/03/79/998510379.db2.gz TXGXCOWGMPYQIN-QZTJIDSGSA-N 1 0 360.502 1.789 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000889662274 998512653 /nfs/dbraw/zinc/51/26/53/998512653.db2.gz BAFLVUVSZKYZEI-SFHVURJKSA-N 1 0 368.428 1.350 20 10 FDCDRO CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000889663041 998513365 /nfs/dbraw/zinc/51/33/65/998513365.db2.gz LOUPMSCNSWMZRO-QGZVFWFLSA-N 1 0 374.485 1.674 20 10 FDCDRO COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000889665126 998514532 /nfs/dbraw/zinc/51/45/32/998514532.db2.gz GJYHSWLKEKVANX-CRAIPNDOSA-N 1 0 374.485 1.531 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C(C)(C)O)cc2)CC1 ZINC000889665683 998515333 /nfs/dbraw/zinc/51/53/33/998515333.db2.gz UQCKBVXFNWZGAD-SFHVURJKSA-N 1 0 360.502 1.883 20 10 FDCDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666746 998516454 /nfs/dbraw/zinc/51/64/54/998516454.db2.gz PUXWCXRFZSAAAZ-HKUYNNGSSA-N 1 0 360.502 1.741 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CCO)C3)cc2)CC1 ZINC000889669434 998518980 /nfs/dbraw/zinc/51/89/80/998518980.db2.gz JSCPBALPDWJBEK-GOSISDBHSA-N 1 0 360.502 1.742 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000889670677 998520870 /nfs/dbraw/zinc/52/08/70/998520870.db2.gz XXYKAVDVQVLTOL-HXUWFJFHSA-N 1 0 371.529 1.818 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCc1cnccn1)cc2=O ZINC000271341071 999693701 /nfs/dbraw/zinc/69/37/01/999693701.db2.gz NGQPLTJQXWYFIY-UHFFFAOYSA-N 1 0 356.386 1.076 20 10 FDCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283661158 999760133 /nfs/dbraw/zinc/76/01/33/999760133.db2.gz YGVHBJYGGRFODD-KRWDZBQOSA-N 1 0 360.502 1.559 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000283711364 999760650 /nfs/dbraw/zinc/76/06/50/999760650.db2.gz AEWRZDHLLAWFQG-INIZCTEOSA-N 1 0 372.513 1.916 20 10 FDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1O ZINC000284407757 999826458 /nfs/dbraw/zinc/82/64/58/999826458.db2.gz BRAZKNAZMYSOGO-RDTXWAMCSA-N 1 0 358.442 1.976 20 10 FDCDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000284433557 999832411 /nfs/dbraw/zinc/83/24/11/999832411.db2.gz YRXBDFBUKJLUKF-KRWDZBQOSA-N 1 0 372.513 1.751 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000285677499 999918294 /nfs/dbraw/zinc/91/82/94/999918294.db2.gz JGTNUTWMVNRGHC-CABCVRRESA-N 1 0 364.465 1.497 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000929236453 1001836757 /nfs/dbraw/zinc/83/67/57/1001836757.db2.gz JZMAUFPOMFGERU-UHFFFAOYSA-N 1 0 355.442 1.146 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(=O)n(C)c2)[NH+](C)C)cc1 ZINC000929903435 1002583062 /nfs/dbraw/zinc/58/30/62/1002583062.db2.gz NPPZMHBRTAUOPY-KRWDZBQOSA-N 1 0 357.458 1.876 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000930212203 1002933070 /nfs/dbraw/zinc/93/30/70/1002933070.db2.gz ZPLMOTVCXBZEKD-SNRMKQJTSA-N 1 0 350.459 1.076 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC2=CCCC2)[NH+](C)C)cc1 ZINC000931015914 1003775308 /nfs/dbraw/zinc/77/53/08/1003775308.db2.gz JSLKDOXSMCTWIG-SFHVURJKSA-N 1 0 358.486 1.698 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC23CCC3)[NH+](C)C)cc1 ZINC000931215576 1003966531 /nfs/dbraw/zinc/96/65/31/1003966531.db2.gz QPEIPVNIWUCHRD-SJORKVTESA-N 1 0 358.486 1.530 20 10 FDCDRO CCn1cc(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)nn1 ZINC000932187875 1004816140 /nfs/dbraw/zinc/81/61/40/1004816140.db2.gz HQNLTFRDKGSYST-UHFFFAOYSA-N 1 0 374.464 1.438 20 10 FDCDRO COC1CCN(c2ccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000933035812 1005321962 /nfs/dbraw/zinc/32/19/62/1005321962.db2.gz MSBUABSJQIQQCA-IBGZPJMESA-N 1 0 373.497 1.687 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934253033 1005721349 /nfs/dbraw/zinc/72/13/49/1005721349.db2.gz AWCGYUFLEPNCAN-PMACEKPBSA-N 1 0 374.529 1.242 20 10 FDCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268888981 674103000 /nfs/dbraw/zinc/10/30/00/674103000.db2.gz ZLSRRMAZWBDYRU-RDJZCZTQSA-N 1 0 351.466 1.770 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 ZINC000277471450 781985912 /nfs/dbraw/zinc/98/59/12/781985912.db2.gz ROBQNTDXSTXYJD-SFHVURJKSA-N 1 0 372.469 1.634 20 10 FDCDRO CN1C(=O)C(=CNCc2ccc(C[NH+]3CCCC3)cc2)C(=O)N(C)C1=O ZINC000052529287 523194789 /nfs/dbraw/zinc/19/47/89/523194789.db2.gz ADTPXOCXDWYJCC-UHFFFAOYSA-N 1 0 356.426 1.306 20 10 FDCDRO CCN(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)S(C)(=O)=O ZINC000066859391 523231678 /nfs/dbraw/zinc/23/16/78/523231678.db2.gz YIEUBDANIVBTFT-UHFFFAOYSA-N 1 0 356.444 1.367 20 10 FDCDRO COc1ccc(N2CCN([C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1F ZINC000122047906 524440004 /nfs/dbraw/zinc/44/00/04/524440004.db2.gz XJXLRMLOHIPBIC-QGZVFWFLSA-N 1 0 373.432 1.495 20 10 FDCDRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccccc1O ZINC000113361525 524672734 /nfs/dbraw/zinc/67/27/34/524672734.db2.gz JLJFFDZDWDALLB-UHFFFAOYSA-N 1 0 350.440 1.295 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H](C)O)cc2F)CC1 ZINC000114830358 524885108 /nfs/dbraw/zinc/88/51/08/524885108.db2.gz OMXVCRYPMOMTFY-AWEZNQCLSA-N 1 0 352.454 1.538 20 10 FDCDRO COc1cccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1O ZINC000092759593 524913683 /nfs/dbraw/zinc/91/36/83/524913683.db2.gz VMJDQYKNXUUAON-UHFFFAOYSA-N 1 0 358.442 1.776 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc[n+]([O-])cc3)CC2)cc1 ZINC000096993943 525165964 /nfs/dbraw/zinc/16/59/64/525165964.db2.gz ORQAIYCTNUKAMN-UHFFFAOYSA-N 1 0 370.453 1.271 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000126170168 525280557 /nfs/dbraw/zinc/28/05/57/525280557.db2.gz JWNDNUCYBXSSLG-GOSISDBHSA-N 1 0 354.470 1.784 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000128294533 525524980 /nfs/dbraw/zinc/52/49/80/525524980.db2.gz POKYVJPQXHAOPC-ROUUACIJSA-N 1 0 363.527 1.917 20 10 FDCDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)N1CCOCC1 ZINC000165103324 525541597 /nfs/dbraw/zinc/54/15/97/525541597.db2.gz AUXZSOULBXNWLT-IBGZPJMESA-N 1 0 361.486 1.891 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)CN3CCOCC3)CC2)cc1 ZINC000165531595 525553526 /nfs/dbraw/zinc/55/35/26/525553526.db2.gz DBTJXEBJSBOZAS-FQEVSTJZSA-N 1 0 363.502 1.337 20 10 FDCDRO Cc1cccc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1O ZINC000180356085 525695717 /nfs/dbraw/zinc/69/57/17/525695717.db2.gz OEDPZVONZGNUGX-UHFFFAOYSA-N 1 0 369.469 1.649 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](CO)C3)cc2F)CC1 ZINC000120263342 526012057 /nfs/dbraw/zinc/01/20/57/526012057.db2.gz BANLITIRDXNBSS-INIZCTEOSA-N 1 0 364.465 1.491 20 10 FDCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1O ZINC000182208575 526093484 /nfs/dbraw/zinc/09/34/84/526093484.db2.gz OBGSEIJCKBFNNQ-UHFFFAOYSA-N 1 0 365.411 1.677 20 10 FDCDRO Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(O)c1O ZINC000182945328 535892149 /nfs/dbraw/zinc/89/21/49/535892149.db2.gz ISMXGUSNSQWCBP-HZPDHXFCSA-N 1 0 356.422 1.771 20 10 FDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1 ZINC000186020169 536223571 /nfs/dbraw/zinc/22/35/71/536223571.db2.gz NLVGLTQEWBQWPO-GJZGRUSLSA-N 1 0 356.488 1.840 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1CSC)cc2=O ZINC000268955700 537016230 /nfs/dbraw/zinc/01/62/30/537016230.db2.gz FZPOEIDGYGZKSY-LBPRGKRZSA-N 1 0 350.444 1.939 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282400862 537325507 /nfs/dbraw/zinc/32/55/07/537325507.db2.gz XGAJYHBQTBUWOZ-UHFFFAOYSA-N 1 0 361.534 1.920 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000283518084 537379092 /nfs/dbraw/zinc/37/90/92/537379092.db2.gz OMZHIKLSLPDJOU-IBGZPJMESA-N 1 0 372.513 1.846 20 10 FDCDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000273429158 537450344 /nfs/dbraw/zinc/45/03/44/537450344.db2.gz VCIRIENVSCWLOJ-GFCCVEGCSA-N 1 0 370.291 1.969 20 10 FDCDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Br)cc1O ZINC000290106706 537672574 /nfs/dbraw/zinc/67/25/74/537672574.db2.gz IJCOFZYBCXCADM-VIFPVBQESA-N 1 0 351.266 1.697 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000285425672 537709578 /nfs/dbraw/zinc/70/95/78/537709578.db2.gz YJYMLBUYPQZWSG-MRXNPFEDSA-N 1 0 358.486 1.312 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@]4(CC[N@H+](C)C4)C3)CC2)cc1 ZINC000292167617 537712740 /nfs/dbraw/zinc/71/27/40/537712740.db2.gz PFLWKWQADQJOCN-NRFANRHFSA-N 1 0 372.513 1.371 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369259795 538006696 /nfs/dbraw/zinc/00/66/96/538006696.db2.gz QKSYFUOWJHPOBA-PMACEKPBSA-N 1 0 374.529 1.242 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000892199562 782169595 /nfs/dbraw/zinc/16/95/95/782169595.db2.gz NUDVCZPJFHKIBL-UONOGXRCSA-N 1 0 350.463 1.661 20 10 FDCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCN3CC[NH2+]CC3)ccc21 ZINC000566404165 547742929 /nfs/dbraw/zinc/74/29/29/547742929.db2.gz NJWVDTRDWSWTLI-UHFFFAOYSA-N 1 0 358.486 1.540 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572347411 549894440 /nfs/dbraw/zinc/89/44/40/549894440.db2.gz QECHZIMLHKUTQM-INIZCTEOSA-N 1 0 355.486 1.676 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1OC ZINC000275591456 674625136 /nfs/dbraw/zinc/62/51/36/674625136.db2.gz RJZOPAMMCWMJEJ-GFCCVEGCSA-N 1 0 353.419 1.893 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCS[C@H](C)CC1)cc2=O ZINC000276890669 674796468 /nfs/dbraw/zinc/79/64/68/674796468.db2.gz GIFKJPXGEQBKMT-LLVKDONJSA-N 1 0 350.444 1.939 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)NC(C)=O)cc2F)CC1 ZINC000106701979 671607328 /nfs/dbraw/zinc/60/73/28/671607328.db2.gz QWWIUWNQMXSVLQ-CYBMUJFWSA-N 1 0 350.438 1.108 20 10 FDCDRO CCCN(C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000120432266 671689542 /nfs/dbraw/zinc/68/95/42/671689542.db2.gz AZTRYFNDYBQJMM-UHFFFAOYSA-N 1 0 372.510 1.644 20 10 FDCDRO [O-]c1c(Br)cc(Br)cc1C[NH+](CCO)CCO ZINC000144333175 671852042 /nfs/dbraw/zinc/85/20/42/671852042.db2.gz ZYEPPKHQOGNZRL-UHFFFAOYSA-N 1 0 369.053 1.704 20 10 FDCDRO Cc1cccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1O ZINC000179674859 672163853 /nfs/dbraw/zinc/16/38/53/672163853.db2.gz UNSRAFSIMBOEEC-UHFFFAOYSA-N 1 0 361.467 1.670 20 10 FDCDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190836630 672333643 /nfs/dbraw/zinc/33/36/43/672333643.db2.gz RHBYNYQNLQCCLI-GOSISDBHSA-N 1 0 369.531 1.625 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)CF)CC2)cc1 ZINC000288710348 676043569 /nfs/dbraw/zinc/04/35/69/676043569.db2.gz ADUJGZKJQGNLMQ-HNNXBMFYSA-N 1 0 352.454 1.865 20 10 FDCDRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000264793821 672925387 /nfs/dbraw/zinc/92/53/87/672925387.db2.gz DDGKTCVVVSOHKM-UHFFFAOYSA-N 1 0 360.426 1.976 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[S@](=O)CC)cc2F)CC1 ZINC000295047885 676398999 /nfs/dbraw/zinc/39/89/99/676398999.db2.gz JRYNEHCKHLNLSZ-XMMPIXPASA-N 1 0 355.479 1.352 20 10 FDCDRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccs1 ZINC000297150354 676424480 /nfs/dbraw/zinc/42/44/80/676424480.db2.gz ZYLZMYGLIKFBKQ-CHWSQXEVSA-N 1 0 353.465 1.865 20 10 FDCDRO COc1ccc(N2CCC([NH2+]CCOCCS(C)(=O)=O)CC2)cc1 ZINC000362293762 676914260 /nfs/dbraw/zinc/91/42/60/676914260.db2.gz OSQMXEGNTZZCQH-UHFFFAOYSA-N 1 0 356.488 1.315 20 10 FDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000368144073 677498087 /nfs/dbraw/zinc/49/80/87/677498087.db2.gz WFVMEDVQEAOROM-HNNXBMFYSA-N 1 0 362.451 1.954 20 10 FDCDRO CCOc1cccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000376750414 678372652 /nfs/dbraw/zinc/37/26/52/678372652.db2.gz KQDQIAHIZMZYFB-UHFFFAOYSA-N 1 0 354.472 1.791 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC000683496191 772026102 /nfs/dbraw/zinc/02/61/02/772026102.db2.gz DSDXVIADCOFBBA-LJQANCHMSA-N 1 0 368.481 1.755 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3nccn3c2)[NH+](C)C)cc1 ZINC000891245737 774081145 /nfs/dbraw/zinc/08/11/45/774081145.db2.gz IMJAMTFEDBKBBX-KRWDZBQOSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)[NH+](C)C)cc1 ZINC000891247226 774092816 /nfs/dbraw/zinc/09/28/16/774092816.db2.gz RTKAUQQVFAVFDA-FUHWJXTLSA-N 1 0 370.501 1.716 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)[NH+](C)C)cc1 ZINC000891247388 774093772 /nfs/dbraw/zinc/09/37/72/774093772.db2.gz JTGKEPUFUXDBPU-NVXWUHKLSA-N 1 0 356.474 1.326 20 10 FDCDRO Cc1cc(C)n(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)n1 ZINC000891249334 774105544 /nfs/dbraw/zinc/10/55/44/774105544.db2.gz RAKDQXFKAJMYRX-GOSISDBHSA-N 1 0 371.485 1.345 20 10 FDCDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248717 774110863 /nfs/dbraw/zinc/11/08/63/774110863.db2.gz NHLACZDIUQOKTC-OAHLLOKOSA-N 1 0 374.445 1.910 20 10 FDCDRO COc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)nn1C ZINC000891253079 774139888 /nfs/dbraw/zinc/13/98/88/774139888.db2.gz QHUNEQVYBWSAHD-MRXNPFEDSA-N 1 0 359.474 1.836 20 10 FDCDRO COC(=O)NC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254158 774150427 /nfs/dbraw/zinc/15/04/27/774150427.db2.gz WNWQGCKAXSIUIY-OAHLLOKOSA-N 1 0 350.463 1.606 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891386582 776514874 /nfs/dbraw/zinc/51/48/74/776514874.db2.gz XSNPAWAJSLWMOK-MJGOQNOKSA-N 1 0 362.449 1.746 20 10 FDCDRO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000376739989 790504308 /nfs/dbraw/zinc/50/43/08/790504308.db2.gz OXZXNDPOGHHSRJ-HNNXBMFYSA-N 1 0 362.426 1.628 20 10 FDCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892540135 787040577 /nfs/dbraw/zinc/04/05/77/787040577.db2.gz CZMZUOJGCQMACG-UHFFFAOYSA-N 1 0 358.460 1.313 20 10 FDCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(O)c1OC ZINC000893203158 793951435 /nfs/dbraw/zinc/95/14/35/793951435.db2.gz WGTWWRFUDUIPJJ-UHFFFAOYSA-N 1 0 372.468 1.539 20 10 FDCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000185748343 794787135 /nfs/dbraw/zinc/78/71/35/794787135.db2.gz HCRAOHPJIALMHX-SFHVURJKSA-N 1 0 371.529 1.888 20 10 FDCDRO COc1cc(N2CC[NH+](CCC(=O)NC(C)C)CC2)cc(OC)c1OC ZINC000759873183 795963929 /nfs/dbraw/zinc/96/39/29/795963929.db2.gz RRCHGQNYPGIPQU-UHFFFAOYSA-N 1 0 365.474 1.749 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278996475 808032018 /nfs/dbraw/zinc/03/20/18/808032018.db2.gz LRHXFQKZMGKIGQ-CQSZACIVSA-N 1 0 373.432 1.392 20 10 FDCDRO Cc1c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000893866160 809776233 /nfs/dbraw/zinc/77/62/33/809776233.db2.gz DRLUMPFVMTZQLK-GOSISDBHSA-N 1 0 358.490 1.897 20 10 FDCDRO COC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC000894102666 810001783 /nfs/dbraw/zinc/00/17/83/810001783.db2.gz PJNPHHIQDWEUFL-DLBZAZTESA-N 1 0 352.479 1.316 20 10 FDCDRO C[C@H](C[S@@](C)=O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894152822 810563233 /nfs/dbraw/zinc/56/32/33/810563233.db2.gz OQHBHWMBBWAZCO-VTPJWHAVSA-N 1 0 354.520 1.422 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419707631 812098820 /nfs/dbraw/zinc/09/88/20/812098820.db2.gz MGQHTSXVZACCGW-HXUWFJFHSA-N 1 0 356.470 1.609 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2([S@@](C)=O)CC2)[NH+](C)C)cc1 ZINC000894605875 818229444 /nfs/dbraw/zinc/22/94/44/818229444.db2.gz OXORMKLZKLIPIJ-PUAOIOHZSA-N 1 0 366.531 1.566 20 10 FDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000729525169 820493641 /nfs/dbraw/zinc/49/36/41/820493641.db2.gz FGFZGYUJISEWCI-KRWDZBQOSA-N 1 0 360.502 1.736 20 10 FDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1O ZINC000895685673 822705072 /nfs/dbraw/zinc/70/50/72/822705072.db2.gz MVEBURGPFOGFTL-GOSISDBHSA-N 1 0 363.502 1.595 20 10 FDCDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCOC1 ZINC000895777676 822740232 /nfs/dbraw/zinc/74/02/32/822740232.db2.gz UGFTXNKVBBMUMC-GOSISDBHSA-N 1 0 353.415 1.859 20 10 FDCDRO C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000895894635 823731835 /nfs/dbraw/zinc/73/18/35/823731835.db2.gz MRJOERQIOWGXLO-HNAYVOBHSA-N 1 0 359.470 1.421 20 10 FDCDRO CON(C)C(=O)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896048873 823965238 /nfs/dbraw/zinc/96/52/38/823965238.db2.gz VEXYPSJURVHLES-XJKSGUPXSA-N 1 0 365.478 1.063 20 10 FDCDRO COC(=O)c1cnc(CC[NH2+]Cc2cc(OC)c(OC)cc2O)s1 ZINC000896931834 826612957 /nfs/dbraw/zinc/61/29/57/826612957.db2.gz MPLDAIKSRCFIIY-UHFFFAOYSA-N 1 0 352.412 1.985 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc2N1 ZINC000301669365 827666260 /nfs/dbraw/zinc/66/62/60/827666260.db2.gz DOWXPZDPFLRBBS-OBJOEFQTSA-N 1 0 358.398 1.846 20 10 FDCDRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)[NH+](C)C)c1 ZINC000841001522 828306280 /nfs/dbraw/zinc/30/62/80/828306280.db2.gz PFNRYJDBUJJEAJ-KRWDZBQOSA-N 1 0 356.426 1.635 20 10 FDCDRO C[C@H]1COCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600574 832285678 /nfs/dbraw/zinc/28/56/78/832285678.db2.gz STHPXIHSERMQLH-INIZCTEOSA-N 1 0 362.474 1.043 20 10 FDCDRO COc1cc(N2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000841962188 840248081 /nfs/dbraw/zinc/24/80/81/840248081.db2.gz GXDMZNDSYNLKBO-CYBMUJFWSA-N 1 0 366.462 1.139 20 10 FDCDRO COCC[NH2+]CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000841967934 840297310 /nfs/dbraw/zinc/29/73/10/840297310.db2.gz IGJSVRGQCGQMTD-UHFFFAOYSA-N 1 0 350.463 1.153 20 10 FDCDRO CO[C@@H]1CCOC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898074706 840751461 /nfs/dbraw/zinc/75/14/61/840751461.db2.gz VVXVWJBQNYIUFI-FGTMMUONSA-N 1 0 364.490 1.458 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+]CC2CCS(=O)(=O)CC2)N(C)C)cc1 ZINC000898448070 844715530 /nfs/dbraw/zinc/71/55/30/844715530.db2.gz OSMWQSSLHFTUIX-SFHVURJKSA-N 1 0 353.532 1.770 20 10 FDCDRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(C)cc1O)CCS2(=O)=O ZINC000898481330 844747072 /nfs/dbraw/zinc/74/70/72/844747072.db2.gz JPNGQNROQPBEHF-CSLYMUCUSA-N 1 0 367.467 1.689 20 10 FDCDRO C[N@H+](CCNC(=O)C(=O)NCCc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000842217581 845711122 /nfs/dbraw/zinc/71/11/22/845711122.db2.gz CGRIBKGXXUVLEM-UHFFFAOYSA-N 1 0 372.444 1.315 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)[C@H](F)C2)[NH+](C)C)cc1 ZINC000899095707 845756245 /nfs/dbraw/zinc/75/62/45/845756245.db2.gz LEBBPTVKSTVVDF-IKGGRYGDSA-N 1 0 352.454 1.470 20 10 FDCDRO CCC(=O)N1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899097045 845759184 /nfs/dbraw/zinc/75/91/84/845759184.db2.gz YXWOIQKAAMXSDJ-KRWDZBQOSA-N 1 0 361.490 1.577 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842228565 845765460 /nfs/dbraw/zinc/76/54/60/845765460.db2.gz AABROUALNJDXHA-SJORKVTESA-N 1 0 360.502 1.877 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899102608 845775744 /nfs/dbraw/zinc/77/57/44/845775744.db2.gz RGSLSMZJLCRHAP-ROUUACIJSA-N 1 0 374.489 1.122 20 10 FDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NCCF ZINC000899103551 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1 0 373.497 1.994 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncc[nH]c3=O)CC2)cc1 ZINC001191517507 968563340 /nfs/dbraw/zinc/56/33/40/968563340.db2.gz DSTIFDDKNCGUBX-UHFFFAOYSA-N 1 0 371.441 1.133 20 10 FDCDRO COc1cc(C(=O)NCc2cccc(N3CC[NH+](C)CC3)c2)cc(O)c1O ZINC001193114099 969478936 /nfs/dbraw/zinc/47/89/36/969478936.db2.gz LCPDNAGZHZOKIF-UHFFFAOYSA-N 1 0 371.437 1.788 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000855222793 970221450 /nfs/dbraw/zinc/22/14/50/970221450.db2.gz AKYILLBEUHKKBK-HNNXBMFYSA-N 1 0 357.458 1.462 20 10 FDCDRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775835518 972946478 /nfs/dbraw/zinc/94/64/78/972946478.db2.gz UCBOEWYHVIINEX-OAHLLOKOSA-N 1 0 362.474 1.704 20 10 FDCDRO CCOC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000794600212 973471341 /nfs/dbraw/zinc/47/13/41/973471341.db2.gz LQFFKMHKHSPKGD-LJQANCHMSA-N 1 0 363.502 1.995 20 10 FDCDRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C)cc1O ZINC000794804972 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CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000866456890 975671744 /nfs/dbraw/zinc/67/17/44/975671744.db2.gz DWZBFZMCWTZQPD-VIFPVBQESA-N 1 0 351.266 1.745 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848352237 976671194 /nfs/dbraw/zinc/67/11/94/976671194.db2.gz NPIXKDQFYFGLBB-LSDHHAIUSA-N 1 0 367.471 1.510 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cncc(O)c3)cc2F)CC1 ZINC000848370362 976698520 /nfs/dbraw/zinc/69/85/20/976698520.db2.gz UTBHSHKNNBTECA-UHFFFAOYSA-N 1 0 372.444 1.927 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCCN2CCNC(=O)C2)c(C(F)(F)F)c1 ZINC000848557055 976902351 /nfs/dbraw/zinc/90/23/51/976902351.db2.gz GVKCHMAMAROHMC-UHFFFAOYSA-N 1 0 358.408 1.683 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000848595999 976932868 /nfs/dbraw/zinc/93/28/68/976932868.db2.gz QNHUUAZNKCCENN-CQSZACIVSA-N 1 0 360.380 1.853 20 10 FDCDRO COc1ccc(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000849094932 977312119 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353.488 1.288 20 10 FDCDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850506712 978406945 /nfs/dbraw/zinc/40/69/45/978406945.db2.gz KKXXHQMIRTUFMN-DOTOQJQBSA-N 1 0 352.500 1.826 20 10 FDCDRO Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850835568 978690355 /nfs/dbraw/zinc/69/03/55/978690355.db2.gz XFYJBZPYHDAZCG-GOSISDBHSA-N 1 0 368.437 1.090 20 10 FDCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850845887 978695437 /nfs/dbraw/zinc/69/54/37/978695437.db2.gz MEMFZDDGPCQJBU-IBGZPJMESA-N 1 0 366.465 1.983 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000851666451 978990088 /nfs/dbraw/zinc/99/00/88/978990088.db2.gz HMNNZOAVLRVVJZ-HZMVEIRTSA-N 1 0 358.486 1.961 20 10 FDCDRO [NH3+]CCC1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000851682251 978995532 /nfs/dbraw/zinc/99/55/32/978995532.db2.gz UJNIMLKDVXADGH-UHFFFAOYSA-N 1 0 360.502 1.918 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851682224 978995724 /nfs/dbraw/zinc/99/57/24/978995724.db2.gz TWVLYKMVXGOBAO-NRFANRHFSA-N 1 0 372.513 1.933 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000851684963 978996941 /nfs/dbraw/zinc/99/69/41/978996941.db2.gz JZWKNPFVEQTFQA-OAHLLOKOSA-N 1 0 360.502 1.496 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000851687961 978999131 /nfs/dbraw/zinc/99/91/31/978999131.db2.gz MRXSYSGZEISFFC-KRWDZBQOSA-N 1 0 358.486 1.451 20 10 FDCDRO CC[N@H+](CCN1C(=O)CN(C)C1=O)Cc1cc(Br)ccc1O ZINC000851792007 979050528 /nfs/dbraw/zinc/05/05/28/979050528.db2.gz GRUGICLLSIXETN-UHFFFAOYSA-N 1 0 370.247 1.871 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)[C@@H]1CCCOC1)cc2=O ZINC000880468706 979214525 /nfs/dbraw/zinc/21/45/25/979214525.db2.gz RKMQVOKASYTRSF-IUODEOHRSA-N 1 0 362.430 1.906 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880584524 979329749 /nfs/dbraw/zinc/32/97/49/979329749.db2.gz PVOYQPNQVPZQJR-GOSISDBHSA-N 1 0 361.486 1.232 20 10 FDCDRO Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])CO)nn2)c(C)n1-c1ccc(F)cc1 ZINC000880983152 979562131 /nfs/dbraw/zinc/56/21/31/979562131.db2.gz UJBPQONHMUEICW-INIZCTEOSA-N 1 0 357.389 1.700 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)n1-c1cccc(F)c1 ZINC000881035628 979597830 /nfs/dbraw/zinc/59/78/30/979597830.db2.gz IYQUEPSCCCPVCI-HNNXBMFYSA-N 1 0 371.416 1.570 20 10 FDCDRO CCOC(=O)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000881849034 980209143 /nfs/dbraw/zinc/20/91/43/980209143.db2.gz MHXJAIDPRAJRKG-GOSISDBHSA-N 1 0 361.486 1.890 20 10 FDCDRO C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852162 980215681 /nfs/dbraw/zinc/21/56/81/980215681.db2.gz YNNHTHSRGOBJRC-QFBILLFUSA-N 1 0 361.486 1.639 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)NC3CCCC3)cc2)CC1 ZINC000881852584 980216702 /nfs/dbraw/zinc/21/67/02/980216702.db2.gz WSIXIEKKPXSNFN-UHFFFAOYSA-N 1 0 372.513 1.894 20 10 FDCDRO CCn1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 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C[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889666726 998516953 /nfs/dbraw/zinc/51/69/53/998516953.db2.gz PISAKOHAONEILQ-SJLPKXTDSA-N 1 0 360.502 1.741 20 10 FDCDRO CN(Cc1cnccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669826 998519171 /nfs/dbraw/zinc/51/91/71/998519171.db2.gz SLVBIWKZUOQWQL-UHFFFAOYSA-N 1 0 354.458 1.570 20 10 FDCDRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000269278014 999466529 /nfs/dbraw/zinc/46/65/29/999466529.db2.gz YQERDGZCTKIGLY-CJNGLKHVSA-N 1 0 369.412 1.752 20 10 FDCDRO COc1cc(N2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cc(OC)c1OC ZINC000274224894 999736965 /nfs/dbraw/zinc/73/69/65/999736965.db2.gz PFQVEJXTRKWKFN-VOTSOKGWSA-N 1 0 363.458 1.479 20 10 FDCDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284369367 999818190 /nfs/dbraw/zinc/81/81/90/999818190.db2.gz ZVXHRALJGHDTNP-MRXNPFEDSA-N 1 0 360.502 1.750 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285435047 999912169 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COc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1O ZINC000173687085 524433844 /nfs/dbraw/zinc/43/38/44/524433844.db2.gz LXIQCYLESMKFSV-INIZCTEOSA-N 1 0 364.490 1.472 20 10 FDCDRO Oc1ccccc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112506138 524495840 /nfs/dbraw/zinc/49/58/40/524495840.db2.gz MBUOBGDRXYECFD-QGZVFWFLSA-N 1 0 369.469 1.777 20 10 FDCDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000090103565 524582260 /nfs/dbraw/zinc/58/22/60/524582260.db2.gz OJDDAOGGZMJBKZ-CQSZACIVSA-N 1 0 374.478 1.374 20 10 FDCDRO O=C1NC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CCN2C1=O ZINC000091866223 524802852 /nfs/dbraw/zinc/80/28/52/524802852.db2.gz NTEQLQGMDCZIPP-KRWDZBQOSA-N 1 0 351.406 1.202 20 10 FDCDRO COc1cccc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1O ZINC000124380261 524972501 /nfs/dbraw/zinc/97/25/01/524972501.db2.gz PMPBQWGPZSIFGH-UHFFFAOYSA-N 1 0 354.414 1.400 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(CCO)C3CC3)cc2F)CC1 ZINC000106584811 525766969 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20 10 FDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821615615 606322221 /nfs/dbraw/zinc/32/22/21/606322221.db2.gz FTHZEPSDKMRHTJ-CYBMUJFWSA-N 1 0 370.438 1.871 20 10 FDCDRO Cc1cccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1O ZINC000826298490 608581122 /nfs/dbraw/zinc/58/11/22/608581122.db2.gz VMVJJEADZXNQDQ-UHFFFAOYSA-N 1 0 351.414 1.598 20 10 FDCDRO COc1c([O-])c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278292770 675118134 /nfs/dbraw/zinc/11/81/34/675118134.db2.gz BWADRBMTIWBERI-CQSZACIVSA-N 1 0 353.419 1.636 20 10 FDCDRO COCCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278306570 675120093 /nfs/dbraw/zinc/12/00/93/675120093.db2.gz DUZLFXVOLZVRAH-UHFFFAOYSA-N 1 0 358.391 1.420 20 10 FDCDRO COCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558790 671517582 /nfs/dbraw/zinc/51/75/82/671517582.db2.gz WMFMNXROGRZJGO-UHFFFAOYSA-N 1 0 367.515 1.284 20 10 FDCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000287307152 675914289 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CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000291189496 676248540 /nfs/dbraw/zinc/24/85/40/676248540.db2.gz KLODMRSIEITFEQ-LBPRGKRZSA-N 1 0 357.476 1.614 20 10 FDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000367975101 677497216 /nfs/dbraw/zinc/49/72/16/677497216.db2.gz VULRGHFZMPCRGP-ZDUSSCGKSA-N 1 0 357.476 1.276 20 10 FDCDRO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000372392105 677909335 /nfs/dbraw/zinc/90/93/35/677909335.db2.gz TYXFTAYVOWWJJZ-UHFFFAOYSA-N 1 0 350.482 1.924 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373944423 678069049 /nfs/dbraw/zinc/06/90/49/678069049.db2.gz BOWHQIDESQTZEF-YPMHNXCESA-N 1 0 353.444 1.120 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](O)C[C@@H]2CO)C1 ZINC000683496556 772026060 /nfs/dbraw/zinc/02/60/60/772026060.db2.gz HBPNBILSSDNLSY-HZPDHXFCSA-N 1 0 371.481 1.362 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3cncn3C2)[NH+](C)C)cc1 ZINC000891247081 774091072 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369.469 1.588 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC000891251198 774128522 /nfs/dbraw/zinc/12/85/22/774128522.db2.gz AUCNVXZRYCEBEK-QGZVFWFLSA-N 1 0 358.486 1.530 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccnc2)[NH+](C)C)cc1 ZINC000891251087 774128752 /nfs/dbraw/zinc/12/87/52/774128752.db2.gz DMVILXINTFYFAM-SFHVURJKSA-N 1 0 369.469 1.297 20 10 FDCDRO O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000376739990 790504452 /nfs/dbraw/zinc/50/44/52/790504452.db2.gz OXZXNDPOGHHSRJ-OAHLLOKOSA-N 1 0 362.426 1.628 20 10 FDCDRO O=C1NCCN1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000933577639 778824295 /nfs/dbraw/zinc/82/42/95/778824295.db2.gz ZMYYGKBMRYVOPA-UHFFFAOYSA-N 1 0 358.486 1.760 20 10 FDCDRO C[NH+](C)CCN1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891804925 779511792 /nfs/dbraw/zinc/51/17/92/779511792.db2.gz BBXYGQCUSVMFAZ-UHFFFAOYSA-N 1 0 354.882 1.871 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1C ZINC001022476232 780563191 /nfs/dbraw/zinc/56/31/91/780563191.db2.gz SBJNRTVLSLGBNH-HBWRTXEVSA-N 1 0 374.481 1.792 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277109305 780752435 /nfs/dbraw/zinc/75/24/35/780752435.db2.gz WSKDXJQRCKUJJI-SFHVURJKSA-N 1 0 369.469 1.574 20 10 FDCDRO NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000891972454 780944125 /nfs/dbraw/zinc/94/41/25/780944125.db2.gz HLMLOEQNWFAGFK-KRWDZBQOSA-N 1 0 373.501 1.330 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)ccc21 ZINC000892492826 785261846 /nfs/dbraw/zinc/26/18/46/785261846.db2.gz UOUMDIXJQBTVDH-PMACEKPBSA-N 1 0 372.513 1.810 20 10 FDCDRO COc1c(O)c(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)ccc1[N+](=O)[O-] ZINC000376030122 785591520 /nfs/dbraw/zinc/59/15/20/785591520.db2.gz BIUVWTCTQJDJQZ-CYBMUJFWSA-N 1 0 365.386 1.179 20 10 FDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1OC ZINC000892666565 788212178 /nfs/dbraw/zinc/21/21/78/788212178.db2.gz HTDLRQAUQQFJGY-UHFFFAOYSA-N 1 0 351.424 1.973 20 10 FDCDRO NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCCF)C[C@@H]32)cc1 ZINC001083288481 792874103 /nfs/dbraw/zinc/87/41/03/792874103.db2.gz ILZFBWDOEMLSLC-LSDHHAIUSA-N 1 0 363.393 1.734 20 10 FDCDRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893118764 793076225 /nfs/dbraw/zinc/07/62/25/793076225.db2.gz KEGTZXBTPIRQDY-IAOVAPTHSA-N 1 0 368.547 1.767 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1OC ZINC000893359701 795906362 /nfs/dbraw/zinc/90/63/62/795906362.db2.gz CTNSPVRHTLPPPN-WCQYABFASA-N 1 0 358.460 1.217 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOCC4(CCC4)C3)CC2)cc1 ZINC000759916228 796259039 /nfs/dbraw/zinc/25/90/39/796259039.db2.gz WSEIDBVAHIEMLD-UHFFFAOYSA-N 1 0 373.497 1.846 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCN(C)C2=O)[NH+](C)C)cc1 ZINC000893417997 802603568 /nfs/dbraw/zinc/60/35/68/802603568.db2.gz FVZAYANVSYPKMG-DLBZAZTESA-N 1 0 361.490 1.275 20 10 FDCDRO COC(=O)N1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000893761455 809708385 /nfs/dbraw/zinc/70/83/85/809708385.db2.gz FAKBXINEUDJTRB-MRXNPFEDSA-N 1 0 363.462 1.105 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000178824317 810708921 /nfs/dbraw/zinc/70/89/21/810708921.db2.gz BOJRRFLZZDLMFO-GOSISDBHSA-N 1 0 360.502 1.023 20 10 FDCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894218215 811268782 /nfs/dbraw/zinc/26/87/82/811268782.db2.gz AKBHQDAEBDCKFM-UHFFFAOYSA-N 1 0 374.437 1.867 20 10 FDCDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272432475 814700135 /nfs/dbraw/zinc/70/01/35/814700135.db2.gz LKEKXECPQBTLEA-HWKANZROSA-N 1 0 359.470 1.597 20 10 FDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000288603798 816893987 /nfs/dbraw/zinc/89/39/87/816893987.db2.gz QJADZPQNVDIVJI-SFHVURJKSA-N 1 0 370.497 1.479 20 10 FDCDRO COC(=O)c1c(CNCC(=O)N2CCOCC2)c2cc(F)ccc2n1C ZINC000894374044 817855947 /nfs/dbraw/zinc/85/59/47/817855947.db2.gz BILGYSQBXSJUDF-UHFFFAOYSA-N 1 0 363.389 1.052 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCc2cnn(C)n2)[NH+](C)C)cc1 ZINC000895048499 819597390 /nfs/dbraw/zinc/59/73/90/819597390.db2.gz WDHPVCIAJKDBMJ-GOSISDBHSA-N 1 0 373.505 1.416 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497828 819857966 /nfs/dbraw/zinc/85/79/66/819857966.db2.gz CUQFRFRVVWBDNB-RTBURBONSA-N 1 0 374.485 1.186 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(CC(N)=O)CC2)[NH+](C)C)cc1 ZINC000895413090 822589288 /nfs/dbraw/zinc/58/92/88/822589288.db2.gz KWUDWWVIQQXVBZ-MRXNPFEDSA-N 1 0 361.490 1.310 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2cc(F)ccc2n1C ZINC000896854596 825320673 /nfs/dbraw/zinc/32/06/73/825320673.db2.gz BFZJUQPUWZXNGA-ZUCKAHLUSA-N 1 0 362.401 1.998 20 10 FDCDRO COc1cc(O)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1I ZINC001204842701 833110086 /nfs/dbraw/zinc/11/00/86/833110086.db2.gz BPQFHEPKDWRYLH-SCZZXKLOSA-N 1 0 366.174 1.486 20 10 FDCDRO CN(C)c1ccc([C@H](CNc2nc(N)nc3c2cnn3C)[NH+](C)C)cc1 ZINC000897523339 836112838 /nfs/dbraw/zinc/11/28/38/836112838.db2.gz UKEWRAXBFSNNHA-HNNXBMFYSA-N 1 0 354.462 1.726 20 10 FDCDRO CN(C)c1ccc([C@@H](CNc2cncc(-n3cncn3)n2)[NH+](C)C)cc1 ZINC000897525418 836520624 /nfs/dbraw/zinc/52/06/24/836520624.db2.gz NEENUBUBPLGDCM-MRXNPFEDSA-N 1 0 352.446 1.838 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCC3(C)C)cc2)CC1 ZINC000897774310 840335991 /nfs/dbraw/zinc/33/59/91/840335991.db2.gz XKUCKXDZMFGTOX-SFHVURJKSA-N 1 0 372.513 1.750 20 10 FDCDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000842008133 840608113 /nfs/dbraw/zinc/60/81/13/840608113.db2.gz VVADVUBHGBXTLB-ZDUSSCGKSA-N 1 0 366.462 1.281 20 10 FDCDRO C[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000842030085 840806142 /nfs/dbraw/zinc/80/61/42/840806142.db2.gz PEUQERKHRPLNGZ-ZDUSSCGKSA-N 1 0 366.893 1.528 20 10 FDCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050321 840904545 /nfs/dbraw/zinc/90/45/45/840904545.db2.gz UUDZMIMVOXVGNM-OAGGEKHMSA-N 1 0 360.502 1.410 20 10 FDCDRO CCCN(CC1CC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327949 840948795 /nfs/dbraw/zinc/94/87/95/840948795.db2.gz YIORFOHZZOAYJO-UHFFFAOYSA-N 1 0 372.513 1.703 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000842148339 844984277 /nfs/dbraw/zinc/98/42/77/844984277.db2.gz MKMNMSFRWFIVQT-INIZCTEOSA-N 1 0 364.465 1.532 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1F ZINC000842148401 844986722 /nfs/dbraw/zinc/98/67/22/844986722.db2.gz NETAIUSTQVDUJO-MRXNPFEDSA-N 1 0 358.417 1.324 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000842186845 845437618 /nfs/dbraw/zinc/43/76/18/845437618.db2.gz LHHRDAGBKMXKNH-MRXNPFEDSA-N 1 0 374.485 1.039 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210482 845622667 /nfs/dbraw/zinc/62/26/67/845622667.db2.gz ASMCIVLVZIMTPL-KRWDZBQOSA-N 1 0 358.486 1.361 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1F ZINC000842210389 845622690 /nfs/dbraw/zinc/62/26/90/845622690.db2.gz ZUEZTKXYEIIMEV-ZDUSSCGKSA-N 1 0 350.438 1.108 20 10 FDCDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842210484 845622873 /nfs/dbraw/zinc/62/28/73/845622873.db2.gz ASMCIVLVZIMTPL-QGZVFWFLSA-N 1 0 358.486 1.361 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000842231731 845749578 /nfs/dbraw/zinc/74/95/78/845749578.db2.gz CBBQIEQPFGIHJP-UHFFFAOYSA-N 1 0 358.486 1.504 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@H](O)C(F)F)[NH+](C)C)cc1 ZINC000899097592 845759799 /nfs/dbraw/zinc/75/97/99/845759799.db2.gz BZNRDQSQRMMQEB-GJZGRUSLSA-N 1 0 358.433 1.671 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000842229293 845769823 /nfs/dbraw/zinc/76/98/23/845769823.db2.gz PGMCXNSWCYKFOC-IAGOWNOFSA-N 1 0 360.502 1.876 20 10 FDCDRO CC[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@H](C)O ZINC000842230948 845770079 /nfs/dbraw/zinc/77/00/79/845770079.db2.gz CDKQTCIBXGOOOV-HOCLYGCPSA-N 1 0 351.466 1.991 20 10 FDCDRO COCCOC1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899101272 845772504 /nfs/dbraw/zinc/77/25/04/845772504.db2.gz HBELEKDPTNTIFZ-GOSISDBHSA-N 1 0 364.490 1.412 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccnn2C)[NH+](C)C)cc1 ZINC000899098060 845790149 /nfs/dbraw/zinc/79/01/49/845790149.db2.gz LFJIMDLVNKUIQG-WMZOPIPTSA-N 1 0 374.489 1.122 20 10 FDCDRO Cc1noc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000899098507 845791593 /nfs/dbraw/zinc/79/15/93/845791593.db2.gz PDMNUPIXHWXSMA-INIZCTEOSA-N 1 0 360.462 1.888 20 10 FDCDRO CO[C@](C)(CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098982 845792531 /nfs/dbraw/zinc/79/25/31/845792531.db2.gz UIVQZKNNQMWJFS-WMZOPIPTSA-N 1 0 352.479 1.052 20 10 FDCDRO CCC[C@H](O)[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098815 845792705 /nfs/dbraw/zinc/79/27/05/845792705.db2.gz SMSHMHDRNRXRPF-KURKYZTESA-N 1 0 366.506 1.176 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(O)CCSC2)[NH+](C)C)cc1 ZINC000899100815 845797866 /nfs/dbraw/zinc/79/78/66/845797866.db2.gz DZOQFAKGCAYESX-FUHWJXTLSA-N 1 0 366.531 1.523 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473141 846276459 /nfs/dbraw/zinc/27/64/59/846276459.db2.gz NELLQBRDMZUSMO-SFHVURJKSA-N 1 0 358.486 1.489 20 10 FDCDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@@]2(C)C1 ZINC000913284575 861798689 /nfs/dbraw/zinc/79/86/89/861798689.db2.gz PRXSVJNDRNKQGM-CALCHBBNSA-N 1 0 367.471 1.178 20 10 FDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)C3(O)CCOCC3)C2)cc1 ZINC000905288800 851820956 /nfs/dbraw/zinc/82/09/56/851820956.db2.gz DVQUOKVVZBAPBV-YJBOKZPZSA-N 1 0 350.459 1.014 20 10 FDCDRO CCc1nc[nH]c1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000905400563 851906400 /nfs/dbraw/zinc/90/64/00/851906400.db2.gz MFOJADBXLPHDGW-UHFFFAOYSA-N 1 0 371.485 1.923 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2c[nH]nc2Cl)[NH+](C)C)cc1 ZINC000908459180 855442304 /nfs/dbraw/zinc/44/23/04/855442304.db2.gz ACCOPPZIXZTKMF-ZDUSSCGKSA-N 1 0 371.894 1.710 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cscn2)[NH+](C)C)cc1 ZINC000908459249 855443780 /nfs/dbraw/zinc/44/37/80/855443780.db2.gz DDIBPWHMQBZHAF-AWEZNQCLSA-N 1 0 354.501 1.790 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2c[nH]c(=O)s2)[NH+](C)C)cc1 ZINC000908460753 855446736 /nfs/dbraw/zinc/44/67/36/855446736.db2.gz YYCQLPCRUMSXPH-CYBMUJFWSA-N 1 0 370.500 1.496 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000908457278 855468594 /nfs/dbraw/zinc/46/85/94/855468594.db2.gz AZUTXWFVVNTEPS-ZWKOTPCHSA-N 1 0 369.531 1.844 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cn(C)cn2)[NH+](C)C)cc1 ZINC000908457951 855469306 /nfs/dbraw/zinc/46/93/06/855469306.db2.gz MLWGHOGAVZHEHK-HNNXBMFYSA-N 1 0 351.476 1.067 20 10 FDCDRO Cc1n[nH]cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457334 855469581 /nfs/dbraw/zinc/46/95/81/855469581.db2.gz FBBGJZUWSDUYOJ-HNNXBMFYSA-N 1 0 351.476 1.365 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910544031 857305727 /nfs/dbraw/zinc/30/57/27/857305727.db2.gz PGZJGRFPCCAWSY-LAUBAEHRSA-N 1 0 372.513 1.511 20 10 FDCDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1ccc(O)cc1O ZINC000910951309 857922406 /nfs/dbraw/zinc/92/24/06/857922406.db2.gz RQAMBPMWOURRPS-UHFFFAOYSA-N 1 0 356.426 1.321 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911049095 858087035 /nfs/dbraw/zinc/08/70/35/858087035.db2.gz OJCZOPBHUQISJG-RHSMWYFYSA-N 1 0 360.502 1.304 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911160253 858243970 /nfs/dbraw/zinc/24/39/70/858243970.db2.gz ZQRNVMLAGXTUMZ-QGZVFWFLSA-N 1 0 356.470 1.327 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911231223 858379682 /nfs/dbraw/zinc/37/96/82/858379682.db2.gz YQHVRQSUHSBPPD-HXUWFJFHSA-N 1 0 356.470 1.258 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccnn3CC[NH+](C)C)C2)cc1 ZINC000911277453 858397655 /nfs/dbraw/zinc/39/76/55/858397655.db2.gz VDTVOVMLAILMGV-INIZCTEOSA-N 1 0 371.485 1.710 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C2CC2)cc1 ZINC000911518912 858732052 /nfs/dbraw/zinc/73/20/52/858732052.db2.gz CDJYKVCIQKZCMD-KRWDZBQOSA-N 1 0 358.486 1.358 20 10 FDCDRO CCOc1ccc(N(C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000150730241 859780644 /nfs/dbraw/zinc/78/06/44/859780644.db2.gz FPJSPJDYHJDHHR-IBGZPJMESA-N 1 0 363.502 1.995 20 10 FDCDRO COCC1(N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000761098621 864080740 /nfs/dbraw/zinc/08/07/40/864080740.db2.gz BGNWHVGDPGIRQD-UHFFFAOYSA-N 1 0 365.449 1.389 20 10 FDCDRO C[NH2+]C[C@@H](C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000843216182 872217120 /nfs/dbraw/zinc/21/71/20/872217120.db2.gz MJUVPXUPFKMBPX-CQSZACIVSA-N 1 0 373.457 1.292 20 10 FDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(C)c1 ZINC000765976834 873929754 /nfs/dbraw/zinc/92/97/54/873929754.db2.gz BLWDXPHYGQHRTP-GOSISDBHSA-N 1 0 362.499 1.896 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C)CC[N@H+](C)C3CC3)CC2)cc1 ZINC000186763367 881262340 /nfs/dbraw/zinc/26/23/40/881262340.db2.gz RXLNSHWWHJZYEZ-UHFFFAOYSA-N 1 0 360.502 1.370 20 10 FDCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000918861607 884974940 /nfs/dbraw/zinc/97/49/40/884974940.db2.gz NVEYJLLKBRYEMQ-CQSZACIVSA-N 1 0 351.422 1.974 20 10 FDCDRO CCCC[C@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918871656 884979962 /nfs/dbraw/zinc/97/99/62/884979962.db2.gz GWBDJDJUTWGCMJ-KRWDZBQOSA-N 1 0 361.490 1.282 20 10 FDCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1C[NH2+]CCOC1 ZINC000925475362 886515653 /nfs/dbraw/zinc/51/56/53/886515653.db2.gz MCFXVCVFYXCUDE-AWEZNQCLSA-N 1 0 359.392 1.620 20 10 FDCDRO COc1cccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1O ZINC000369683477 889234099 /nfs/dbraw/zinc/23/40/99/889234099.db2.gz LWDORDVXRICBLG-UHFFFAOYSA-N 1 0 359.430 2.186 20 10 FDCDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000182328360 892557457 /nfs/dbraw/zinc/55/74/57/892557457.db2.gz HNWBLFAXMORXFO-RTBURBONSA-N 1 0 361.486 1.891 20 10 FDCDRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CCO2 ZINC000921968176 893628832 /nfs/dbraw/zinc/62/88/32/893628832.db2.gz AVMTVPWNJSNQJS-AEFFLSMTSA-N 1 0 351.468 1.838 20 10 FDCDRO C[NH+](C)CCOc1cc(CNC(=O)NCc2c(O)cccc2F)ccn1 ZINC000921706127 897227802 /nfs/dbraw/zinc/22/78/02/897227802.db2.gz TVYKHPJSNJUDSR-UHFFFAOYSA-N 1 0 362.405 1.866 20 10 FDCDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000185549194 900561031 /nfs/dbraw/zinc/56/10/31/900561031.db2.gz WRLMSLQFVIXRJL-UHFFFAOYSA-N 1 0 366.481 1.880 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000727033944 907009728 /nfs/dbraw/zinc/00/97/28/907009728.db2.gz ZRLZUOKHTKWNOW-KRWDZBQOSA-N 1 0 365.474 1.661 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2C)cc1C ZINC001082465847 907904325 /nfs/dbraw/zinc/90/43/25/907904325.db2.gz ZOQTWKKATNAXLV-GDBMZVCRSA-N 1 0 357.458 1.691 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C)cc1C ZINC001082472804 907924768 /nfs/dbraw/zinc/92/47/68/907924768.db2.gz DLHFMEOREZDRBZ-DJIMGWMZSA-N 1 0 359.470 1.466 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2C)cc1C ZINC001082578058 908756669 /nfs/dbraw/zinc/75/66/69/908756669.db2.gz LROJZKLDCNBCDO-CZUORRHYSA-N 1 0 356.426 1.750 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)cc1C ZINC001082746102 909975767 /nfs/dbraw/zinc/97/57/67/909975767.db2.gz JOFWHQSGOAYMKJ-NRSFXHEJSA-N 1 0 373.497 1.664 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1C[C@]3(C)C[N@H+](C)C[C@]3(C)C1)cc2=O ZINC000823275444 921669649 /nfs/dbraw/zinc/66/96/49/921669649.db2.gz HZMXUTFFGLSULT-KDURUIRLSA-N 1 0 373.457 1.385 20 10 FDCDRO CCC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730235002 916381064 /nfs/dbraw/zinc/38/10/64/916381064.db2.gz IKZAIBIPFNMPIV-AWEZNQCLSA-N 1 0 364.465 1.499 20 10 FDCDRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccccc1O ZINC000731843707 918668950 /nfs/dbraw/zinc/66/89/50/918668950.db2.gz SBIUWCAQANUHBK-YBEGLDIGSA-N 1 0 350.440 1.804 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001085187720 922077166 /nfs/dbraw/zinc/07/71/66/922077166.db2.gz SYYYRXBOFSWDGT-OAGGEKHMSA-N 1 0 361.442 1.629 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncccn3)CC2)cc1 ZINC000735875745 924615053 /nfs/dbraw/zinc/61/50/53/924615053.db2.gz HJJPAXRAHRETMK-UHFFFAOYSA-N 1 0 355.442 1.427 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000742246484 925983594 /nfs/dbraw/zinc/98/35/94/925983594.db2.gz YFPRZNSYBRIVDM-SFHVURJKSA-N 1 0 374.529 1.900 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000103175794 928464583 /nfs/dbraw/zinc/46/45/83/928464583.db2.gz DXZVLTUFWONFAK-UHFFFAOYSA-N 1 0 373.501 1.202 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000787670906 932363969 /nfs/dbraw/zinc/36/39/69/932363969.db2.gz NTNULZUISOBNEX-INIZCTEOSA-N 1 0 361.486 1.979 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000788573826 932743300 /nfs/dbraw/zinc/74/33/00/932743300.db2.gz RGRGWXPBNYQFRK-AEFFLSMTSA-N 1 0 358.486 1.454 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000788928646 932863175 /nfs/dbraw/zinc/86/31/75/932863175.db2.gz MBARMQBRMMCXIK-IBGZPJMESA-N 1 0 372.513 1.844 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000793797206 934278523 /nfs/dbraw/zinc/27/85/23/934278523.db2.gz ZBHNBKAYOKRFNC-MRXNPFEDSA-N 1 0 362.518 1.948 20 10 FDCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c2c1c(F)ccc2O ZINC000806169297 938898702 /nfs/dbraw/zinc/89/87/02/938898702.db2.gz DINSVNAOWLJHMH-SCRDCRAPSA-N 1 0 371.478 1.940 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000807099871 940249135 /nfs/dbraw/zinc/24/91/35/940249135.db2.gz DKMZIGAZXKMNIH-IBGZPJMESA-N 1 0 372.513 1.764 20 10 FDCDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807673332 940451269 /nfs/dbraw/zinc/45/12/69/940451269.db2.gz QUEKFPFNFWATRO-INIZCTEOSA-N 1 0 362.518 1.976 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000807676633 940453213 /nfs/dbraw/zinc/45/32/13/940453213.db2.gz HZRGJFCTNOGQKW-IJEWVQPXSA-N 1 0 358.486 1.671 20 10 FDCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)[C@H]2C1 ZINC000808783200 940606618 /nfs/dbraw/zinc/60/66/18/940606618.db2.gz LUSHUMVCQMYCHN-IHPCNDPISA-N 1 0 372.513 1.605 20 10 FDCDRO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)S1(=O)=O ZINC000809725057 940892409 /nfs/dbraw/zinc/89/24/09/940892409.db2.gz INYKFXOWRXWYBF-QFBILLFUSA-N 1 0 365.543 1.836 20 10 FDCDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000810211227 940966273 /nfs/dbraw/zinc/96/62/73/940966273.db2.gz OQXZFFKGMAPXQP-SJORKVTESA-N 1 0 356.474 1.548 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cc1C ZINC001086791243 942503906 /nfs/dbraw/zinc/50/39/06/942503906.db2.gz SNVCFOKMBPZSJN-ARFHVFGLSA-N 1 0 360.458 1.060 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000817853748 943017681 /nfs/dbraw/zinc/01/76/81/943017681.db2.gz QCBLACVDWOSAKU-QGZVFWFLSA-N 1 0 374.529 1.949 20 10 FDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000817831104 943041815 /nfs/dbraw/zinc/04/18/15/943041815.db2.gz JKZQTWZINUEFHG-SFHVURJKSA-N 1 0 356.470 1.232 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817861249 943050290 /nfs/dbraw/zinc/05/02/90/943050290.db2.gz GXNZYIQKKBIPOW-LPHOPBHVSA-N 1 0 374.529 1.661 20 10 FDCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N(C)CC[NH3+])cc1 ZINC000817927073 943064086 /nfs/dbraw/zinc/06/40/86/943064086.db2.gz DYFHHQDNTZIGAD-UHFFFAOYSA-N 1 0 358.442 1.292 20 10 FDCDRO C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817892371 943066834 /nfs/dbraw/zinc/06/68/34/943066834.db2.gz MVXJMHBQEFKYPV-CRAIPNDOSA-N 1 0 351.516 1.542 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000817917281 943076552 /nfs/dbraw/zinc/07/65/52/943076552.db2.gz AMEKKXLOTASXDK-INIZCTEOSA-N 1 0 360.502 1.689 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000817917739 943076716 /nfs/dbraw/zinc/07/67/16/943076716.db2.gz DXZDJEOJEWYVKO-WBVHZDCISA-N 1 0 360.502 1.687 20 10 FDCDRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817920691 943077796 /nfs/dbraw/zinc/07/77/96/943077796.db2.gz SXLKMWCUJJXLIJ-UHFFFAOYSA-N 1 0 360.502 1.703 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000817920184 943078856 /nfs/dbraw/zinc/07/88/56/943078856.db2.gz CZIMSSGJGQOOAJ-LPHOPBHVSA-N 1 0 372.513 1.831 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000817949997 943092312 /nfs/dbraw/zinc/09/23/12/943092312.db2.gz PMUVLJLNRAATPC-FQEVSTJZSA-N 1 0 359.470 1.733 20 10 FDCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817989533 943122846 /nfs/dbraw/zinc/12/28/46/943122846.db2.gz NAMFDNIDMHQHQR-MRXNPFEDSA-N 1 0 358.486 1.456 20 10 FDCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817991141 943125942 /nfs/dbraw/zinc/12/59/42/943125942.db2.gz MOWDBUBHHQVGPC-SJLPKXTDSA-N 1 0 372.513 1.831 20 10 FDCDRO CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000818553167 943281663 /nfs/dbraw/zinc/28/16/63/943281663.db2.gz MWZQRJWFZLHJKQ-ALCCZGGFSA-N 1 0 350.422 1.893 20 10 FDCDRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000818653202 943317898 /nfs/dbraw/zinc/31/78/98/943317898.db2.gz SWTABEHWQFRFAZ-DOPJRALCSA-N 1 0 356.474 1.683 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000818655489 943318429 /nfs/dbraw/zinc/31/84/29/943318429.db2.gz MMRSFCNWQPDHKY-JXFKEZNVSA-N 1 0 358.486 1.917 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COC1CCOCC1 ZINC000818964181 943345558 /nfs/dbraw/zinc/34/55/58/943345558.db2.gz NESNMSWXVUEQFJ-SFHVURJKSA-N 1 0 366.527 1.886 20 10 FDCDRO COC[C@@H](C)C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818978539 943368609 /nfs/dbraw/zinc/36/86/09/943368609.db2.gz KXKRGZQSBTUKKC-FUHWJXTLSA-N 1 0 351.491 1.050 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)COC1CCOCC1 ZINC000818973857 943389113 /nfs/dbraw/zinc/38/91/13/943389113.db2.gz XBMZDNIYAUQMIO-SFHVURJKSA-N 1 0 350.459 1.169 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)CCSC)CC2)cc1 ZINC000819088597 943414380 /nfs/dbraw/zinc/41/43/80/943414380.db2.gz USKDOOCBNYSGGT-FUHWJXTLSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cncc(C)c3)CC2)cc1 ZINC000819195293 943470499 /nfs/dbraw/zinc/47/04/99/943470499.db2.gz ZMKMLAFHXRNLCV-FQEVSTJZSA-N 1 0 370.497 1.671 20 10 FDCDRO CCn1cc(C[NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000819305625 943511190 /nfs/dbraw/zinc/51/11/90/943511190.db2.gz MNQAFINOUCFSTM-IBGZPJMESA-N 1 0 373.501 1.184 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCSC(C)C)CC2)cc1 ZINC000819309803 943514012 /nfs/dbraw/zinc/51/40/12/943514012.db2.gz WLZJEZZXTJWLHQ-GOSISDBHSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cccnc3F)CC2)cc1 ZINC000819276210 943523058 /nfs/dbraw/zinc/52/30/58/943523058.db2.gz FTVIVLXXQKARBJ-GOSISDBHSA-N 1 0 374.460 1.502 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNOC/C=C\Cl)CC2)cc1 ZINC000819322555 943526373 /nfs/dbraw/zinc/52/63/73/943526373.db2.gz HNOSTKDCHBYFFL-CGGYKVPPSA-N 1 0 355.866 1.452 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000819358298 943540414 /nfs/dbraw/zinc/54/04/14/943540414.db2.gz CLWJZFYFWWTHAT-HQRMLTQVSA-N 1 0 363.502 1.335 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000819314347 943545973 /nfs/dbraw/zinc/54/59/73/943545973.db2.gz YKIXRXSIQLFRLH-SJLPKXTDSA-N 1 0 369.456 1.956 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000819380415 943564757 /nfs/dbraw/zinc/56/47/57/943564757.db2.gz QKIMXRPBFXVLIO-AEFFLSMTSA-N 1 0 364.486 1.668 20 10 FDCDRO C[C@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCNC1=O ZINC000821486673 944530800 /nfs/dbraw/zinc/53/08/00/944530800.db2.gz HKMCEQGKWAHVLR-NRFANRHFSA-N 1 0 370.497 1.361 20 10 FDCDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1(C)C ZINC000824083746 946211926 /nfs/dbraw/zinc/21/19/26/946211926.db2.gz BXBGTPHZNDVFCC-ZIAGYGMSSA-N 1 0 355.460 1.222 20 10 FDCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825303259 947126660 /nfs/dbraw/zinc/12/66/60/947126660.db2.gz GPXJJTDAXXUHKY-UHFFFAOYSA-N 1 0 364.261 1.184 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000844167100 947809898 /nfs/dbraw/zinc/80/98/98/947809898.db2.gz PERDLMHAOJXQSV-INIZCTEOSA-N 1 0 353.413 1.726 20 10 FDCDRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173724 947815716 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FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000846697760 951467538 /nfs/dbraw/zinc/46/75/38/951467538.db2.gz VUWBHLGPRMNTSM-OAHLLOKOSA-N 1 0 372.473 1.247 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000846734723 951515584 /nfs/dbraw/zinc/51/55/84/951515584.db2.gz NTWCVKFVMPDBFW-MRXNPFEDSA-N 1 0 360.502 1.874 20 10 FDCDRO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844881 951648007 /nfs/dbraw/zinc/64/80/07/951648007.db2.gz IWJLUDARYWYKNW-VQIMIIECSA-N 1 0 351.491 1.113 20 10 FDCDRO COC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC001148219959 952652684 /nfs/dbraw/zinc/65/26/84/952652684.db2.gz IHFRFUWCFZITIN-FQEVSTJZSA-N 1 0 370.405 1.645 20 10 FDCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)cc1 ZINC001086886359 952939482 /nfs/dbraw/zinc/93/94/82/952939482.db2.gz YOAIPZOFPOYMLH-SMDDNHRTSA-N 1 0 371.401 1.920 20 10 FDCDRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000774861338 963925099 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CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(C(F)(F)F)cnn2C)cc1 ZINC000852791085 967609270 /nfs/dbraw/zinc/60/92/70/967609270.db2.gz CLBOUGKSPXHLOJ-ZDUSSCGKSA-N 1 0 355.364 1.935 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)C2)cc1 ZINC000852844172 967651316 /nfs/dbraw/zinc/65/13/16/967651316.db2.gz RGSDBKSPDUOZKJ-KGLIPLIRSA-N 1 0 355.442 1.504 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852851305 967657184 /nfs/dbraw/zinc/65/71/84/967657184.db2.gz BSABPYPESKFFSL-TZMCWYRMSA-N 1 0 357.248 1.867 20 10 FDCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775369711 967685451 /nfs/dbraw/zinc/68/54/51/967685451.db2.gz FUDGXZAKUUYPJV-STQMWFEESA-N 1 0 370.471 1.087 20 10 FDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000776813215 970390132 /nfs/dbraw/zinc/39/01/32/970390132.db2.gz VBFRVLJOWSLVSB-RBUKOAKNSA-N 1 0 350.459 1.433 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCN(C(=O)N4CCCC4)CC3)cc2)CC1 ZINC000775645819 970755356 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C[C@@]1(O)CCN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000776173588 975049916 /nfs/dbraw/zinc/04/99/16/975049916.db2.gz YYPHNAWXYJQQCR-OAQYLSRUSA-N 1 0 372.513 1.885 20 10 FDCDRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000866603571 975826872 /nfs/dbraw/zinc/82/68/72/975826872.db2.gz BJFRROIYKPZMCA-HNNXBMFYSA-N 1 0 355.504 1.455 20 10 FDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000121141618 975828309 /nfs/dbraw/zinc/82/83/09/975828309.db2.gz VKEBBFJFJJCXPZ-INIZCTEOSA-N 1 0 355.394 1.702 20 10 FDCDRO CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC000866749646 975991593 /nfs/dbraw/zinc/99/15/93/975991593.db2.gz LYQGUZNEXGMERV-CQSZACIVSA-N 1 0 359.467 1.080 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1conc1C(C)(C)[NH3+] ZINC000848407484 976721890 /nfs/dbraw/zinc/72/18/90/976721890.db2.gz QEQMQCRHPAOBQD-UHFFFAOYSA-N 1 0 358.442 1.977 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(N)CC3(F)F)cc2F)CC1 ZINC000867927626 977099925 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20 10 FDCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OCC(N)=O)cc3)C2)cc1 ZINC000850346008 978327761 /nfs/dbraw/zinc/32/77/61/978327761.db2.gz PGIDAAQSTADPPI-MRXNPFEDSA-N 1 0 355.438 1.928 20 10 FDCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)COCCN1Cc1ccccc1 ZINC000850395303 978355859 /nfs/dbraw/zinc/35/58/59/978355859.db2.gz FKVFVFJDJWSKLE-QFIPXVFZSA-N 1 0 368.477 1.975 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@@H]3CC[C@H]3C)CC2)cc1 ZINC000850519989 978415253 /nfs/dbraw/zinc/41/52/53/978415253.db2.gz SOXLAWSPULXEJI-CRAIPNDOSA-N 1 0 367.515 1.535 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000851654729 978985894 /nfs/dbraw/zinc/98/58/94/978985894.db2.gz GTUAAFOBNHCAIZ-UHFFFAOYSA-N 1 0 358.446 1.487 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)cc1F ZINC000851671141 978991857 /nfs/dbraw/zinc/99/18/57/978991857.db2.gz GZXDGDGAZVXCIA-UHFFFAOYSA-N 1 0 350.438 1.937 20 10 FDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680469 978995356 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CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852702 980216129 /nfs/dbraw/zinc/21/61/29/980216129.db2.gz BWCHJLNAOCZRGK-IEBWSBKVSA-N 1 0 361.486 1.496 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3[nH]nc4c3CCCC4)cc2)CC1 ZINC000881854276 980219374 /nfs/dbraw/zinc/21/93/74/980219374.db2.gz ZPOYLKSBHWGTJM-UHFFFAOYSA-N 1 0 367.497 1.899 20 10 FDCDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129622146 980604043 /nfs/dbraw/zinc/60/40/43/980604043.db2.gz DLDCLASYCQTMHO-MRXNPFEDSA-N 1 0 364.465 1.755 20 10 FDCDRO COC(C)(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662143 980801830 /nfs/dbraw/zinc/80/18/30/980801830.db2.gz BNZKJXGGHHUYBM-UHFFFAOYSA-N 1 0 355.504 1.283 20 10 FDCDRO Cc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000882663582 980803846 /nfs/dbraw/zinc/80/38/46/980803846.db2.gz SCLPTWDECPUGGG-UHFFFAOYSA-N 1 0 361.471 1.015 20 10 FDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c(O)cccc1Br ZINC000858170612 981890038 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FDCDRO CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[NH2+]C1 ZINC000884638036 983304342 /nfs/dbraw/zinc/30/43/42/983304342.db2.gz KCUNATNJXNTCJN-KRWDZBQOSA-N 1 0 372.513 1.797 20 10 FDCDRO [NH3+]CC1(NC(=O)NCc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000861560107 983778554 /nfs/dbraw/zinc/77/85/54/983778554.db2.gz ZLCJADPGKHTDFZ-UHFFFAOYSA-N 1 0 364.515 1.547 20 10 FDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000861562152 983778920 /nfs/dbraw/zinc/77/89/20/983778920.db2.gz MHCWQMPTAFBUPY-MCIONIFRSA-N 1 0 352.454 1.928 20 10 FDCDRO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[NH2+]1 ZINC000861563771 983779711 /nfs/dbraw/zinc/77/97/11/983779711.db2.gz DRPHPHVQIJHMPI-PVAVHDDUSA-N 1 0 373.501 1.328 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1F ZINC000861573851 983783034 /nfs/dbraw/zinc/78/30/34/983783034.db2.gz NQUOJZMJOQKJKA-UHFFFAOYSA-N 1 0 352.454 1.979 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCN1c1cc[nH+]cc1 ZINC000884694396 984700695 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370.453 1.738 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000893717657 809396117 /nfs/dbraw/zinc/39/61/17/809396117.db2.gz WJFVHYPFJJFMER-LPHOPBHVSA-N 1 0 370.501 1.935 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419709904 812100764 /nfs/dbraw/zinc/10/07/64/812100764.db2.gz PIXSEYNIIWFWKW-GJZGRUSLSA-N 1 0 354.454 1.171 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1OC ZINC000271727647 814464053 /nfs/dbraw/zinc/46/40/53/814464053.db2.gz MEOBBLFZYGNDQI-HNNXBMFYSA-N 1 0 364.442 1.623 20 10 FDCDRO Cc1cc(OC2CC[NH2+]CC2)nc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168005376 820303657 /nfs/dbraw/zinc/30/36/57/820303657.db2.gz BXMYBOUQBPBAKD-UHFFFAOYSA-N 1 0 360.414 1.687 20 10 FDCDRO Oc1cc(O)c(CCNc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)cc1O ZINC001168014183 821252371 /nfs/dbraw/zinc/25/23/71/821252371.db2.gz PHMDPTIKNJRKBJ-KRWDZBQOSA-N 1 0 370.409 1.767 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCNC2=O)[NH+](C)C)cc1 ZINC000895329015 822488477 /nfs/dbraw/zinc/48/84/77/822488477.db2.gz OTQRGSGKOOEBJZ-WBVHZDCISA-N 1 0 361.490 1.181 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCNC2=O)[NH+](C)C)cc1 ZINC000895329013 822488669 /nfs/dbraw/zinc/48/86/69/822488669.db2.gz OTQRGSGKOOEBJZ-RDJZCZTQSA-N 1 0 361.490 1.181 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3OCCO3)cc2)CC1 ZINC000896445169 824418591 /nfs/dbraw/zinc/41/85/91/824418591.db2.gz SBDWPCSOBJJFSF-SFHVURJKSA-N 1 0 374.485 1.485 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CC(CC(N)=O)C2)[NH+](C)C)cc1 ZINC000896607265 824715755 /nfs/dbraw/zinc/71/57/55/824715755.db2.gz CYAGFJSZGHOGBQ-PUJMQQBBSA-N 1 0 361.490 1.309 20 10 FDCDRO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(N2CCOCC2)cc1 ZINC000729601097 832078861 /nfs/dbraw/zinc/07/88/61/832078861.db2.gz AEEWSJPEFNRUSR-MRXNPFEDSA-N 1 0 369.469 1.812 20 10 FDCDRO Nc1ccc(CCNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000841955815 840209473 /nfs/dbraw/zinc/20/94/73/840209473.db2.gz OHBBFMSXDXWEHW-HXUWFJFHSA-N 1 0 368.481 1.530 20 10 FDCDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000842008129 840608458 /nfs/dbraw/zinc/60/84/58/840608458.db2.gz VVADVUBHGBXTLB-CYBMUJFWSA-N 1 0 366.462 1.281 20 10 FDCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000842029808 840801919 /nfs/dbraw/zinc/80/19/19/840801919.db2.gz QKKZVLJXCJNMMN-CHWSQXEVSA-N 1 0 366.893 1.656 20 10 FDCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2Cl)C1 ZINC000842029179 840803692 /nfs/dbraw/zinc/80/36/92/840803692.db2.gz BXPHKZUPDZJWLL-CYBMUJFWSA-N 1 0 366.893 1.610 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000898101091 840812219 /nfs/dbraw/zinc/81/22/19/840812219.db2.gz GUOOBCICBAFENC-OKZBNKHCSA-N 1 0 370.497 1.359 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC34CCC4)cc2)CC1 ZINC000898170760 840849098 /nfs/dbraw/zinc/84/90/98/840849098.db2.gz ISZIAQFQLYSJIV-QGZVFWFLSA-N 1 0 356.470 1.113 20 10 FDCDRO Cc1cc(Br)cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000898331660 840971526 /nfs/dbraw/zinc/97/15/26/840971526.db2.gz FKBWQACBQYQRKG-UHFFFAOYSA-N 1 0 368.231 1.905 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000898358772 840995518 /nfs/dbraw/zinc/99/55/18/840995518.db2.gz IQOSWOGLFWHZNH-WMZOPIPTSA-N 1 0 363.458 1.062 20 10 FDCDRO COc1cccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1O ZINC000898364051 840997952 /nfs/dbraw/zinc/99/79/52/840997952.db2.gz HFRRNPBRDGZLOR-LLVKDONJSA-N 1 0 350.806 1.918 20 10 FDCDRO CCCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000842147571 844976595 /nfs/dbraw/zinc/97/65/95/844976595.db2.gz GRWLHSSBGHQTNH-CQSZACIVSA-N 1 0 350.438 1.108 20 10 FDCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000842149765 845002607 /nfs/dbraw/zinc/00/26/07/845002607.db2.gz DSAWUENHCUZXSD-UHFFFAOYSA-N 1 0 360.502 1.797 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)ccc21 ZINC000842149776 845003552 /nfs/dbraw/zinc/00/35/52/845003552.db2.gz FEKZVOFWMJUUTG-GOSISDBHSA-N 1 0 366.465 1.501 20 10 FDCDRO CC1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]CC1 ZINC000842171522 845277629 /nfs/dbraw/zinc/27/76/29/845277629.db2.gz UFKVGNRIHZFPKB-UHFFFAOYSA-N 1 0 356.470 1.185 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842223355 845733218 /nfs/dbraw/zinc/73/32/18/845733218.db2.gz HQPGBYSLYXZXGB-QGZVFWFLSA-N 1 0 358.486 1.504 20 10 FDCDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842224938 845735057 /nfs/dbraw/zinc/73/50/57/845735057.db2.gz QZHPSLBRRFYDKT-MRXNPFEDSA-N 1 0 363.458 1.016 20 10 FDCDRO CC(C)NC(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098002 845759767 /nfs/dbraw/zinc/75/97/67/845759767.db2.gz KDUUGZRWLGMBKD-RHSMWYFYSA-N 1 0 363.506 1.568 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H](O)C(F)F)[NH+](C)C)cc1 ZINC000899097591 845759988 /nfs/dbraw/zinc/75/99/88/845759988.db2.gz BZNRDQSQRMMQEB-CABCVRRESA-N 1 0 358.433 1.671 20 10 FDCDRO [NH3+][C@@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000842227541 845763126 /nfs/dbraw/zinc/76/31/26/845763126.db2.gz SQHNXWFPQRTHAT-KRWDZBQOSA-N 1 0 359.470 1.907 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H](O)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000899103535 845776736 /nfs/dbraw/zinc/77/67/36/845776736.db2.gz MPPAMHDHIPCHQG-HOTGVXAUSA-N 1 0 370.444 1.767 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)[NH+](C)C)cc1 ZINC000899104185 845777540 /nfs/dbraw/zinc/77/75/40/845777540.db2.gz QMCOQLKUAJTUMR-YLJYHZDGSA-N 1 0 373.501 1.277 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2COCCO2)[NH+](C)C)cc1 ZINC000899099037 845792565 /nfs/dbraw/zinc/79/25/65/845792565.db2.gz UVROOOVYOJCMSX-ROUUACIJSA-N 1 0 364.490 1.412 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2Cc3cncn3C2)[NH+](C)C)cc1 ZINC000899099152 845793721 /nfs/dbraw/zinc/79/37/21/845793721.db2.gz WELLVSNOXXWDMY-MAUKXSAKSA-N 1 0 356.474 1.476 20 10 FDCDRO COC(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100789 845797843 /nfs/dbraw/zinc/79/78/43/845797843.db2.gz DDRDKAQJWAKWAT-WBVHZDCISA-N 1 0 362.474 1.560 20 10 FDCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842243586 845925599 /nfs/dbraw/zinc/92/55/99/845925599.db2.gz DEYVEBZEKQBAIT-MRXNPFEDSA-N 1 0 360.502 1.733 20 10 FDCDRO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842253219 846043113 /nfs/dbraw/zinc/04/31/13/846043113.db2.gz PNBSDSFGBXPPGS-OAHLLOKOSA-N 1 0 372.469 1.728 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905052934 851613614 /nfs/dbraw/zinc/61/36/14/851613614.db2.gz XSKGJGAPBPCLQZ-MSOLQXFVSA-N 1 0 352.500 1.232 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCCC1 ZINC000905144822 851702251 /nfs/dbraw/zinc/70/22/51/851702251.db2.gz KJLVBSVZCRAZSB-SFHVURJKSA-N 1 0 352.450 1.542 20 10 FDCDRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000905335818 851869575 /nfs/dbraw/zinc/86/95/75/851869575.db2.gz SARLJKLEUIOJGS-HNNXBMFYSA-N 1 0 367.515 1.503 20 10 FDCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000905483467 851955496 /nfs/dbraw/zinc/95/54/96/851955496.db2.gz YVWMNQLPNGELAX-MRXNPFEDSA-N 1 0 359.392 1.791 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)C[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000908457692 855469467 /nfs/dbraw/zinc/46/94/67/855469467.db2.gz JIZHSJWDYPMKNS-PBHICJAKSA-N 1 0 355.504 1.311 20 10 FDCDRO CN(c1ccc(CNC(=O)C(=O)NCC2([NH3+])CC2)cc1)C1CCCCC1 ZINC000911110302 858161935 /nfs/dbraw/zinc/16/19/35/858161935.db2.gz ANEGPMRQSCJKAO-UHFFFAOYSA-N 1 0 358.486 1.679 20 10 FDCDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159572 858242393 /nfs/dbraw/zinc/24/23/93/858242393.db2.gz RQORKTJACGABCW-DYESRHJHSA-N 1 0 368.481 1.409 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000911229168 858375625 /nfs/dbraw/zinc/37/56/25/858375625.db2.gz JICCUCPTVATCSY-JXFKEZNVSA-N 1 0 358.486 1.489 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)C2)cc1 ZINC000911564711 858785353 /nfs/dbraw/zinc/78/53/53/858785353.db2.gz VIWFZUUKSNWCIJ-JKSUJKDBSA-N 1 0 374.485 1.039 20 10 FDCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1Cc2ccccc2C1=O ZINC000911667266 858879787 /nfs/dbraw/zinc/87/97/87/858879787.db2.gz PKBIZKZVXQUYHN-AUUYWEPGSA-N 1 0 366.465 1.913 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000911667077 858880073 /nfs/dbraw/zinc/88/00/73/858880073.db2.gz MFFGAYJILBBLAL-HNNXBMFYSA-N 1 0 369.391 1.870 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 ZINC000911667704 858880899 /nfs/dbraw/zinc/88/08/99/858880899.db2.gz QTASZQIEMNDPON-YJBOKZPZSA-N 1 0 353.426 1.457 20 10 FDCDRO COc1cccn2ncc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c12 ZINC000911667742 858881024 /nfs/dbraw/zinc/88/10/24/858881024.db2.gz ROXWNJKIXXJDOQ-MRXNPFEDSA-N 1 0 353.426 1.839 20 10 FDCDRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCOCC2)cc1 ZINC000760809818 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CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515000 949803904 /nfs/dbraw/zinc/80/39/04/949803904.db2.gz ASDYUSMGALQHFN-LBPRGKRZSA-N 1 0 352.387 1.819 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857245865 971671539 /nfs/dbraw/zinc/67/15/39/971671539.db2.gz WIIUCWVCPZRHBJ-OXJNMPFZSA-N 1 0 358.486 1.441 20 10 FDCDRO [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000846138103 950617915 /nfs/dbraw/zinc/61/79/15/950617915.db2.gz SOMBJOUYBOBTKL-UHFFFAOYSA-N 1 0 350.438 1.591 20 10 FDCDRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000846145017 950624307 /nfs/dbraw/zinc/62/43/07/950624307.db2.gz JMSYDXDGFPRLLC-UHFFFAOYSA-N 1 0 358.486 1.973 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC(CC[NH3+])CC3)ccc21 ZINC000846332037 950939599 /nfs/dbraw/zinc/93/95/99/950939599.db2.gz RBJQHHMEIWVZFT-UHFFFAOYSA-N 1 0 358.486 1.273 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C2CC2)cc1 ZINC000846347321 950977387 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PYIDYYCUVDHIPB-QGZVFWFLSA-N 1 0 364.490 1.277 20 10 FDCDRO O=C(NCCCSc1nccs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853857470 968376004 /nfs/dbraw/zinc/37/60/04/968376004.db2.gz DHZGMNPUKCYDEP-AWEZNQCLSA-N 1 0 370.544 1.866 20 10 FDCDRO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(O)c1O ZINC001193113765 969479013 /nfs/dbraw/zinc/47/90/13/969479013.db2.gz BGVUBLPAMYBLIU-HWWDLCQESA-N 1 0 354.406 1.967 20 10 FDCDRO CN(C)c1ccc(-c2nc(C(=O)N(CC[NH3+])S(C)(=O)=O)cs2)cc1 ZINC001193161262 969521080 /nfs/dbraw/zinc/52/10/80/969521080.db2.gz KDSBLKUROJVHDG-UHFFFAOYSA-N 1 0 368.484 1.237 20 10 FDCDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(C)n1-c1ccccn1 ZINC000855694909 970618588 /nfs/dbraw/zinc/61/85/88/970618588.db2.gz CWGIJNPWDLBYNM-UHFFFAOYSA-N 1 0 371.485 1.581 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1 ZINC000863771611 973198972 /nfs/dbraw/zinc/19/89/72/973198972.db2.gz NSYJHCAOJBLZBD-LJQANCHMSA-N 1 0 374.529 1.948 20 10 FDCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000794806992 973996317 /nfs/dbraw/zinc/99/63/17/973996317.db2.gz JCUCKEHKGIAXMU-SFHVURJKSA-N 1 0 374.510 1.822 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCNC3=O)cc2F)CC1 ZINC000865202282 974182317 /nfs/dbraw/zinc/18/23/17/974182317.db2.gz PBJVZKKKLRHAKQ-OAHLLOKOSA-N 1 0 362.449 1.110 20 10 FDCDRO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866493922 975721052 /nfs/dbraw/zinc/72/10/52/975721052.db2.gz CSGGURXWTBXFPV-AWEZNQCLSA-N 1 0 357.433 1.992 20 10 FDCDRO NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000847641600 975940885 /nfs/dbraw/zinc/94/08/85/975940885.db2.gz YOBYOCIOPCGCAA-OALUTQOASA-N 1 0 370.497 1.346 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC000866724108 975963205 /nfs/dbraw/zinc/96/32/05/975963205.db2.gz IEOXAESKOOZUGE-RTBURBONSA-N 1 0 358.486 1.170 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)nc2F)cc1 ZINC000866757057 976000067 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O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299512 977469041 /nfs/dbraw/zinc/46/90/41/977469041.db2.gz GGDDYFAEBYWFAO-UHFFFAOYSA-N 1 0 353.378 1.355 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000868357404 977526179 /nfs/dbraw/zinc/52/61/79/977526179.db2.gz WUHZVNHGBJTMIO-NVXWUHKLSA-N 1 0 360.502 1.544 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@H]1C[NH3+] ZINC000868357972 977527613 /nfs/dbraw/zinc/52/76/13/977527613.db2.gz AUELXMNJKQVTHK-GDBMZVCRSA-N 1 0 358.486 1.297 20 10 FDCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)nn1 ZINC000850288318 978291818 /nfs/dbraw/zinc/29/18/18/978291818.db2.gz MNCSUTITHZLIIR-UHFFFAOYSA-N 1 0 362.430 1.866 20 10 FDCDRO COc1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850339244 978323568 /nfs/dbraw/zinc/32/35/68/978323568.db2.gz NZKOKFNHDQWCIP-CYBMUJFWSA-N 1 0 356.488 1.822 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)CC1 ZINC000850356767 978333308 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1.267 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851679140 978994668 /nfs/dbraw/zinc/99/46/68/978994668.db2.gz VVWNLBWVMXJTQK-UHFFFAOYSA-N 1 0 359.430 1.858 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000851684882 978996932 /nfs/dbraw/zinc/99/69/32/978996932.db2.gz JGUAWVCHHMRNGT-GOSISDBHSA-N 1 0 372.513 1.607 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000851690990 979000662 /nfs/dbraw/zinc/00/06/62/979000662.db2.gz CQJJYXXSYURSET-JTQLQIEISA-N 1 0 372.263 1.227 20 10 FDCDRO COC(=O)CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1=O ZINC000851900475 979175467 /nfs/dbraw/zinc/17/54/67/979175467.db2.gz UAUCUEHIKAQDRU-IUODEOHRSA-N 1 0 350.415 1.606 20 10 FDCDRO CCOCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128556816 979375118 /nfs/dbraw/zinc/37/51/18/979375118.db2.gz SBKVOYKHHKZJGW-QGZVFWFLSA-N 1 0 363.502 1.886 20 10 FDCDRO C[NH2+]C(C)(C)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881023763 979591805 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C[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccns3)cc2)CC1 ZINC000883849161 982525469 /nfs/dbraw/zinc/52/54/69/982525469.db2.gz VJLJAERGUAUMLI-UHFFFAOYSA-N 1 0 359.499 1.937 20 10 FDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000883900190 982603858 /nfs/dbraw/zinc/60/38/58/982603858.db2.gz GCLCCPQSJCVHHV-OAHLLOKOSA-N 1 0 362.474 1.630 20 10 FDCDRO C[NH2+]CCOCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861559070 983778604 /nfs/dbraw/zinc/77/86/04/983778604.db2.gz MXYDRAAMNRBYAQ-UHFFFAOYSA-N 1 0 352.504 1.275 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861750407 983897256 /nfs/dbraw/zinc/89/72/56/983897256.db2.gz JGBPGDCRGUPUOS-BGYRXZFFSA-N 1 0 358.486 1.135 20 10 FDCDRO C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C[NH2+]1 ZINC000861806176 983931590 /nfs/dbraw/zinc/93/15/90/983931590.db2.gz XSGMTCZKANNTTE-HOCLYGCPSA-N 1 0 371.437 1.771 20 10 FDCDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000886319467 986063036 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C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1O ZINC000879647439 995135194 /nfs/dbraw/zinc/13/51/94/995135194.db2.gz CHMAFSYJAQMRPP-CQSZACIVSA-N 1 0 357.410 1.620 20 10 FDCDRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000879651717 995136920 /nfs/dbraw/zinc/13/69/20/995136920.db2.gz IODLFFMVRJMMSZ-KKUMJFAQSA-N 1 0 368.499 1.857 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](c4ccccn4)C3=O)cc2)CC1 ZINC000925080957 995278613 /nfs/dbraw/zinc/27/86/13/995278613.db2.gz XAWNGDDIBZBYHI-SFHVURJKSA-N 1 0 365.437 1.627 20 10 FDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925859052 995800213 /nfs/dbraw/zinc/80/02/13/995800213.db2.gz VHLHBIJPMNSAIJ-GXTWGEPZSA-N 1 0 362.426 1.515 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@H]1C[NH3+] ZINC000926295581 996034038 /nfs/dbraw/zinc/03/40/38/996034038.db2.gz GSARMYWUZDYYJE-WBVHZDCISA-N 1 0 372.513 1.687 20 10 FDCDRO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(Br)ccc1O 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773413375 /nfs/dbraw/zinc/41/33/75/773413375.db2.gz FVFFONVWAVUSAW-UHFFFAOYSA-N 1 0 353.426 1.088 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cn3)cc2)CC1 ZINC000891148230 773426135 /nfs/dbraw/zinc/42/61/35/773426135.db2.gz XFGKZDIGIHLWGM-UHFFFAOYSA-N 1 0 371.416 1.227 20 10 FDCDRO CO[C@@]1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCSC1 ZINC000891242345 774038416 /nfs/dbraw/zinc/03/84/16/774038416.db2.gz FCMHJOGBCYVNHR-WMZOPIPTSA-N 1 0 351.516 1.994 20 10 FDCDRO C/C(=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)CN1CCOCC1 ZINC000891245592 774080378 /nfs/dbraw/zinc/08/03/78/774080378.db2.gz HHWVHIJZBYVWNI-QMEWPPBRSA-N 1 0 374.529 1.750 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3nccn3c2)[NH+](C)C)cc1 ZINC000891245738 774081542 /nfs/dbraw/zinc/08/15/42/774081542.db2.gz IMJAMTFEDBKBBX-QGZVFWFLSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nccn3C2)[NH+](C)C)cc1 ZINC000891248376 774097578 /nfs/dbraw/zinc/09/75/78/774097578.db2.gz LZFWEYXGABUIQE-FUHWJXTLSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[NH+](C)C)cc1 ZINC000891247891 774098762 /nfs/dbraw/zinc/09/87/62/774098762.db2.gz LFBMYUKGRGDJFE-INIZCTEOSA-N 1 0 368.441 1.762 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC000891248009 774100021 /nfs/dbraw/zinc/10/00/21/774100021.db2.gz JVBZFIMYOQEYEI-RYRKJORJSA-N 1 0 360.502 1.763 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CC[C@]2(C)CCC(=O)N2)[NH+](C)C)cc1 ZINC000891249403 774107342 /nfs/dbraw/zinc/10/73/42/774107342.db2.gz SNVOBGXMXSURSZ-YLJYHZDGSA-N 1 0 360.502 1.920 20 10 FDCDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891251096 774128698 /nfs/dbraw/zinc/12/86/98/774128698.db2.gz DRZUYRSMTZHHKV-SJLPKXTDSA-N 1 0 360.502 1.730 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000891251291 774129390 /nfs/dbraw/zinc/12/93/90/774129390.db2.gz BPVCAYFFKFGUSG-KRWDZBQOSA-N 1 0 374.445 1.667 20 10 FDCDRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254977 774152230 /nfs/dbraw/zinc/15/22/30/774152230.db2.gz LNMKAQQXAHQNKQ-IAGOWNOFSA-N 1 0 364.515 1.393 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C(N)=O)cs2)[NH+](C)C)cc1 ZINC000891254767 774159087 /nfs/dbraw/zinc/15/90/87/774159087.db2.gz JDDUIPZHBAMPQO-HNNXBMFYSA-N 1 0 360.483 1.946 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCSC2=O)[NH+](C)C)cc1 ZINC000891256547 774164480 /nfs/dbraw/zinc/16/44/80/774164480.db2.gz ZMEWKXOIXVENMP-OAHLLOKOSA-N 1 0 350.488 1.640 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCOC[C@H]1CC1CC1)cc2=O ZINC000933209128 776130777 /nfs/dbraw/zinc/13/07/77/776130777.db2.gz BLKLEEVFWVDNAG-CQSZACIVSA-N 1 0 360.414 1.613 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)NCCC(C)(C)[NH3+])CC2)cc1 ZINC000891449026 777812179 /nfs/dbraw/zinc/81/21/79/777812179.db2.gz ZKMHZGPOKSNRKF-UHFFFAOYSA-N 1 0 363.506 1.244 20 10 FDCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000892080206 781463023 /nfs/dbraw/zinc/46/30/23/781463023.db2.gz UPCKBZQEYFZTLI-KBXCAEBGSA-N 1 0 373.501 1.186 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c(OC)c1 ZINC000892290696 783525456 /nfs/dbraw/zinc/52/54/56/783525456.db2.gz KVAGPWYANIWCEY-HUUCEWRRSA-N 1 0 362.474 1.676 20 10 FDCDRO C[C@@]1(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)NC(=O)NC1=O ZINC000378339173 793977609 /nfs/dbraw/zinc/97/76/09/793977609.db2.gz DRRNIKJILXVCLW-FQEVSTJZSA-N 1 0 372.469 1.333 20 10 FDCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893569164 806486856 /nfs/dbraw/zinc/48/68/56/806486856.db2.gz NPLMKRRPJFKADM-UHFFFAOYSA-N 1 0 372.487 1.561 20 10 FDCDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CC2 ZINC000662627290 806891779 /nfs/dbraw/zinc/89/17/79/806891779.db2.gz PTUIFFAWIHUNDC-UHFFFAOYSA-N 1 0 371.462 1.443 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000893717660 809396230 /nfs/dbraw/zinc/39/62/30/809396230.db2.gz WJFVHYPFJJFMER-VQIMIIECSA-N 1 0 370.501 1.935 20 10 FDCDRO COC(=O)N1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000893761445 809708260 /nfs/dbraw/zinc/70/82/60/809708260.db2.gz FAKBXINEUDJTRB-INIZCTEOSA-N 1 0 363.462 1.105 20 10 FDCDRO COCC[C@](C)(O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894259494 814184137 /nfs/dbraw/zinc/18/41/37/814184137.db2.gz VBOQSMANDLGLOE-SFHVURJKSA-N 1 0 352.406 1.981 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(N)=O)C1 ZINC000435868514 816222950 /nfs/dbraw/zinc/22/29/50/816222950.db2.gz FIQNVMMOQXGQMQ-UHFFFAOYSA-N 1 0 356.470 1.788 20 10 FDCDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000280778773 818227435 /nfs/dbraw/zinc/22/74/35/818227435.db2.gz ZPPCQCLJYKVIJF-UHFFFAOYSA-N 1 0 357.410 1.319 20 10 FDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000894747693 818389817 /nfs/dbraw/zinc/38/98/17/818389817.db2.gz MAZCOFROAURLEJ-DZGCQCFKSA-N 1 0 356.488 1.907 20 10 FDCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895123488 820605162 /nfs/dbraw/zinc/60/51/62/820605162.db2.gz VMTWRPXASMTMME-HNNXBMFYSA-N 1 0 362.348 1.910 20 10 FDCDRO CCOc1ccc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000895207381 821863033 /nfs/dbraw/zinc/86/30/33/821863033.db2.gz KDFTVKLKMQZFKH-UHFFFAOYSA-N 1 0 352.431 1.862 20 10 FDCDRO COC(=O)c1c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895462363 822607707 /nfs/dbraw/zinc/60/77/07/822607707.db2.gz NOSZBMQUYSWWDM-TXEJJXNPSA-N 1 0 350.390 1.137 20 10 FDCDRO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1OC ZINC000895656694 822687291 /nfs/dbraw/zinc/68/72/91/822687291.db2.gz NOEHEHOWQWQOSB-KRWDZBQOSA-N 1 0 373.453 1.795 20 10 FDCDRO CN(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000895880128 822778028 /nfs/dbraw/zinc/77/80/28/822778028.db2.gz WUKTUVRZHBGYOT-SFHVURJKSA-N 1 0 360.502 1.883 20 10 FDCDRO CCn1nncc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895938865 823793789 /nfs/dbraw/zinc/79/37/89/823793789.db2.gz GBXVVHXFRLRZRI-KRWDZBQOSA-N 1 0 359.478 1.466 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](O)[C@H](F)C3)cc2)CC1 ZINC000896444575 824417233 /nfs/dbraw/zinc/41/72/33/824417233.db2.gz MQAKLMMJESJHML-SJORKVTESA-N 1 0 350.438 1.053 20 10 FDCDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)cc1I ZINC001204809534 829943631 /nfs/dbraw/zinc/94/36/31/829943631.db2.gz JDTDNLWTELBVPO-CYBMUJFWSA-N 1 0 362.211 1.929 20 10 FDCDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000478887662 844230757 /nfs/dbraw/zinc/23/07/57/844230757.db2.gz QEEDPIGOUXLCCG-OAHLLOKOSA-N 1 0 356.470 1.703 20 10 FDCDRO CCc1cccc(C[NH+]2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1O ZINC000897573849 839661159 /nfs/dbraw/zinc/66/11/59/839661159.db2.gz QONQEXJBLDFKGX-UHFFFAOYSA-N 1 0 354.458 1.921 20 10 FDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000897691414 840253372 /nfs/dbraw/zinc/25/33/72/840253372.db2.gz BHXQYIOGUGDPOB-GOSISDBHSA-N 1 0 352.431 1.862 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000897755632 840319593 /nfs/dbraw/zinc/31/95/93/840319593.db2.gz PHVSRPVNWXOQKU-HNNXBMFYSA-N 1 0 358.486 1.359 20 10 FDCDRO C[C@H](CCC1CC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897992943 840683909 /nfs/dbraw/zinc/68/39/09/840683909.db2.gz JTRJLIJZKILDGX-MRXNPFEDSA-N 1 0 372.513 1.750 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC000898275120 840929463 /nfs/dbraw/zinc/92/94/63/840929463.db2.gz KGTQLNNOCDRPGW-UHFFFAOYSA-N 1 0 361.486 1.701 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000898352198 840988360 /nfs/dbraw/zinc/98/83/60/840988360.db2.gz XMQCCPKGJAJDKE-GWCFXTLKSA-N 1 0 373.247 1.694 20 10 FDCDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842132390 844850990 /nfs/dbraw/zinc/85/09/90/844850990.db2.gz WGIVWCJKBABDSS-UHFFFAOYSA-N 1 0 374.529 1.802 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000842147523 844974386 /nfs/dbraw/zinc/97/43/86/844974386.db2.gz GBCALIUODNUHSC-LZWOXQAQSA-N 1 0 362.449 1.094 20 10 FDCDRO CN(c1ccc(CNC(=O)C(=O)NCC2C[NH2+]C2)cc1)C1CCCCC1 ZINC000842149757 845002620 /nfs/dbraw/zinc/00/26/20/845002620.db2.gz DNXFNXZHOWTQAY-UHFFFAOYSA-N 1 0 358.486 1.407 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170497 845240759 /nfs/dbraw/zinc/24/07/59/845240759.db2.gz HFKXNUBWHZVVAZ-KRWDZBQOSA-N 1 0 356.470 1.137 20 10 FDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842180476 845367013 /nfs/dbraw/zinc/36/70/13/845367013.db2.gz OQZWLZIXHGMKNZ-IAGOWNOFSA-N 1 0 358.486 1.659 20 10 FDCDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)C[N@@H+]1CCO ZINC000842180646 845367210 /nfs/dbraw/zinc/36/72/10/845367210.db2.gz OICVLEJMWOFIIA-OLZOCXBDSA-N 1 0 358.533 1.722 20 10 FDCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842177747 845376071 /nfs/dbraw/zinc/37/60/71/845376071.db2.gz IUIQDTWSSLPREH-HZPDHXFCSA-N 1 0 360.502 1.666 20 10 FDCDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842232074 845748777 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C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000844175600 947818333 /nfs/dbraw/zinc/81/83/33/947818333.db2.gz JSBNCGZBJDKRSP-UWWQBHOKSA-N 1 0 358.486 1.393 20 10 FDCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844187265 947824762 /nfs/dbraw/zinc/82/47/62/947824762.db2.gz DVFOFUVKOMSDSX-DANNLKNASA-N 1 0 351.397 1.838 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000844220862 947850625 /nfs/dbraw/zinc/85/06/25/947850625.db2.gz MZTTXUBKSZTOIO-SJORKVTESA-N 1 0 358.486 1.170 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000844222963 947853871 /nfs/dbraw/zinc/85/38/71/947853871.db2.gz ONBWRJAQQIREDF-PWIZWCRZSA-N 1 0 372.513 1.403 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223745 947856244 /nfs/dbraw/zinc/85/62/44/947856244.db2.gz BKHTXKYHHZAMPH-SFHVURJKSA-N 1 0 374.529 1.398 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844335819 947972626 /nfs/dbraw/zinc/97/26/26/947972626.db2.gz RRBMNWILNVZRAR-UHFFFAOYSA-N 1 0 374.529 1.195 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000844400910 948030114 /nfs/dbraw/zinc/03/01/14/948030114.db2.gz HOJIUNWAASTKBP-INIZCTEOSA-N 1 0 369.531 1.735 20 10 FDCDRO CC(=O)c1cc(Cl)cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844375430 948036816 /nfs/dbraw/zinc/03/68/16/948036816.db2.gz GNSOWQYUEMARMU-UHFFFAOYSA-N 1 0 353.850 1.454 20 10 FDCDRO C[C@H](CS(C)(=O)=O)N(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775696477 971546094 /nfs/dbraw/zinc/54/60/94/971546094.db2.gz MHMRDRUTBLDJFC-MRXNPFEDSA-N 1 0 365.543 1.836 20 10 FDCDRO O=C(N[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001144509767 949785816 /nfs/dbraw/zinc/78/58/16/949785816.db2.gz LDIPWDASTHHLPU-PNPHSEOMSA-N 1 0 362.426 1.309 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c(O)c1 ZINC001144509376 949785914 /nfs/dbraw/zinc/78/59/14/949785914.db2.gz ADLLTAQMXBRTMD-ORAYPTAESA-N 1 0 360.410 1.729 20 10 FDCDRO COCCc1noc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000775712082 971642951 /nfs/dbraw/zinc/64/29/51/971642951.db2.gz DGGGAGMSWVFNIB-UHFFFAOYSA-N 1 0 359.474 1.642 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000846032206 950383555 /nfs/dbraw/zinc/38/35/55/950383555.db2.gz BLDNVJUXHUHTGE-GFCCVEGCSA-N 1 0 365.421 1.895 20 10 FDCDRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846121167 950521422 /nfs/dbraw/zinc/52/14/22/950521422.db2.gz ANPWGORKGZNXFF-UHFFFAOYSA-N 1 0 365.821 1.059 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C2CC2)cc1 ZINC000857245554 971671694 /nfs/dbraw/zinc/67/16/94/971671694.db2.gz SXAGSOOLYFESEU-IERDGZPVSA-N 1 0 370.497 1.583 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000846673959 951439009 /nfs/dbraw/zinc/43/90/09/951439009.db2.gz YOKFZAYLAFYPFZ-JKIFEVAISA-N 1 0 366.481 1.335 20 10 FDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846677748 951441922 /nfs/dbraw/zinc/44/19/22/951441922.db2.gz SFNHKWRNWICEKO-RBUKOAKNSA-N 1 0 362.518 1.539 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846731365 951504133 /nfs/dbraw/zinc/50/41/33/951504133.db2.gz IIIZUXLDWHBELZ-UHFFFAOYSA-N 1 0 360.502 1.622 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C)cc1C ZINC001093662359 958459723 /nfs/dbraw/zinc/45/97/23/958459723.db2.gz DAQJHGZVOWQPJI-GDBMZVCRSA-N 1 0 368.499 1.232 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2C)cc1C ZINC001094054484 959638715 /nfs/dbraw/zinc/63/87/15/959638715.db2.gz CBNCXUZTPXZZIC-NVXWUHKLSA-N 1 0 371.485 1.939 20 10 FDCDRO O=C1NC(=O)[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Br)cc2O)N1 ZINC001181588311 960973994 /nfs/dbraw/zinc/97/39/94/960973994.db2.gz IBRRRBJIWXUOIR-BMIGLBTASA-N 1 0 368.231 1.623 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@](C)(O)C3)CC2)cc1 ZINC001185474697 963952014 /nfs/dbraw/zinc/95/20/14/963952014.db2.gz VKSGZZOBNSHCEK-UKIBZPOASA-N 1 0 361.486 1.485 20 10 FDCDRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775258393 967020682 /nfs/dbraw/zinc/02/06/82/967020682.db2.gz ZHJIOBREVMNLEI-VDGAXYAQSA-N 1 0 364.486 1.730 20 10 FDCDRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260315 967030644 /nfs/dbraw/zinc/03/06/44/967030644.db2.gz OJXMYDOBQDJGCM-MRXNPFEDSA-N 1 0 370.515 1.625 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852182043 967063601 /nfs/dbraw/zinc/06/36/01/967063601.db2.gz JRFWZIMTYUSPAG-QGZVFWFLSA-N 1 0 372.513 1.931 20 10 FDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852188913 967074106 /nfs/dbraw/zinc/07/41/06/967074106.db2.gz QTTXGKAHBKDUGM-KRWDZBQOSA-N 1 0 360.502 1.789 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000852668721 967519810 /nfs/dbraw/zinc/51/98/10/967519810.db2.gz GFQIPBTXIRHITH-SJORKVTESA-N 1 0 359.470 1.312 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000852883097 967687160 /nfs/dbraw/zinc/68/71/60/967687160.db2.gz AISWSDUOFQCPDI-CHWSQXEVSA-N 1 0 359.430 1.798 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)cc1 ZINC000852899632 967695197 /nfs/dbraw/zinc/69/51/97/967695197.db2.gz AYVHMZWJCDNSDC-LRDDRELGSA-N 1 0 357.376 1.932 20 10 FDCDRO COC(=O)[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001190253325 967696447 /nfs/dbraw/zinc/69/64/47/967696447.db2.gz LJCPMTHZVIZNED-KRWDZBQOSA-N 1 0 362.474 1.435 20 10 FDCDRO CCN1C(=O)C(=CNNc2ccc(Cl)c[nH+]2)C(=O)N(CC)C1=S ZINC000852999671 967765801 /nfs/dbraw/zinc/76/58/01/967765801.db2.gz KZLSZXXKYUGEFP-UHFFFAOYSA-N 1 0 353.835 1.531 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853749655 968290610 /nfs/dbraw/zinc/29/06/10/968290610.db2.gz ZKROGBRNJHFNQY-LJQANCHMSA-N 1 0 360.502 1.802 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000854553973 968977609 /nfs/dbraw/zinc/97/76/09/968977609.db2.gz LIOOTOLOHJYXGC-AWEZNQCLSA-N 1 0 355.438 1.840 20 10 FDCDRO CC(C)C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632031 969036068 /nfs/dbraw/zinc/03/60/68/969036068.db2.gz BBXQKROWVIJCMI-JSGCOSHPSA-N 1 0 353.488 1.761 20 10 FDCDRO Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(O)c1O ZINC000855401784 970333443 /nfs/dbraw/zinc/33/34/43/970333443.db2.gz ADCXCVYJIAKNMF-INIZCTEOSA-N 1 0 356.422 1.903 20 10 FDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000855402776 970336097 /nfs/dbraw/zinc/33/60/97/970336097.db2.gz HNLCLHVGXZFCKR-IWHGQQBYSA-N 1 0 368.433 1.994 20 10 FDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776811734 970369732 /nfs/dbraw/zinc/36/97/32/970369732.db2.gz CIDGJASZDXXSDA-HKUYNNGSSA-N 1 0 368.449 1.572 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cn[nH]n3)cc2F)CC1 ZINC000865201351 974180844 /nfs/dbraw/zinc/18/08/44/974180844.db2.gz DNXUVYNXCOWLJX-UHFFFAOYSA-N 1 0 360.437 1.335 20 10 FDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000865684875 974420783 /nfs/dbraw/zinc/42/07/83/974420783.db2.gz MLDUTMRXJUOIME-RYUDHWBXSA-N 1 0 366.458 1.854 20 10 FDCDRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000865817070 974515949 /nfs/dbraw/zinc/51/59/49/974515949.db2.gz XWCQGMQWRZXIRU-UHFFFAOYSA-N 1 0 355.394 1.936 20 10 FDCDRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(N2CCOCC2)cc1 ZINC000776102194 974864861 /nfs/dbraw/zinc/86/48/61/974864861.db2.gz JADBEKAWRRUPDV-GPWPYBQESA-N 1 0 372.469 1.695 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)cc2F)CC1 ZINC000847453518 975644795 /nfs/dbraw/zinc/64/47/95/975644795.db2.gz ATSMLKWXJCCRBZ-HUUCEWRRSA-N 1 0 362.449 1.095 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000866457652 975673496 /nfs/dbraw/zinc/67/34/96/975673496.db2.gz RVOHZTYDGPQGAK-ZDUSSCGKSA-N 1 0 359.467 1.252 20 10 FDCDRO C[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)NC(N)=O ZINC000847591181 975876734 /nfs/dbraw/zinc/87/67/34/975876734.db2.gz RGMZUDIPCNFDMX-FZMZJTMJSA-N 1 0 368.865 1.573 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848634791 976969728 /nfs/dbraw/zinc/96/97/28/976969728.db2.gz QASJHUPXOUYBNW-WOVMCDHWSA-N 1 0 361.486 1.977 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(N)CC3(F)F)CC2)cc1 ZINC000867959800 977143141 /nfs/dbraw/zinc/14/31/41/977143141.db2.gz FKRDOMQPCSTVKA-QGZVFWFLSA-N 1 0 368.428 1.060 20 10 FDCDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(OC)cc2O)CC1 ZINC000849095660 977312980 /nfs/dbraw/zinc/31/29/80/977312980.db2.gz HYAHLDQJBIGPES-UHFFFAOYSA-N 1 0 350.419 1.636 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000868224406 977361116 /nfs/dbraw/zinc/36/11/16/977361116.db2.gz HXEBQWAVUONWDA-ZWKOTPCHSA-N 1 0 352.438 1.822 20 10 FDCDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(Cc1ccccc1O)C1CCCCC1 ZINC000868354955 977522369 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FDCDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000364940670 537402098 /nfs/dbraw/zinc/40/20/98/537402098.db2.gz MZQUDKJBGZOCAO-YXMMZVCTSA-N 1 0 359.470 1.738 20 10 FDCDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000299062734 537425237 /nfs/dbraw/zinc/42/52/37/537425237.db2.gz BBAQOGCFSCIDPW-UHFFFAOYSA-N 1 0 369.487 1.756 20 10 FDCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000299259955 537520146 /nfs/dbraw/zinc/52/01/46/537520146.db2.gz FEVKKKCPUMMIPQ-CHWSQXEVSA-N 1 0 350.415 1.484 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCOc3cc(O)ccc3C2)cc1 ZINC000285517270 537724934 /nfs/dbraw/zinc/72/49/34/537724934.db2.gz NZQKLEWEJLZQCT-UHFFFAOYSA-N 1 0 355.438 1.969 20 10 FDCDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285653260 537741923 /nfs/dbraw/zinc/74/19/23/537741923.db2.gz HABPMTVHBWQCRH-UHFFFAOYSA-N 1 0 358.486 1.238 20 10 FDCDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000371224696 537781585 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1.633 20 10 FDCDRO CO[C@H](C[NH3+])CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373182554 538091511 /nfs/dbraw/zinc/09/15/11/538091511.db2.gz JSQWGTBHUOBPRY-HNNXBMFYSA-N 1 0 357.401 1.737 20 10 FDCDRO COc1cc(O)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000271830885 674386687 /nfs/dbraw/zinc/38/66/87/674386687.db2.gz OVSTZJPZWLLZEF-UHFFFAOYSA-N 1 0 358.460 1.265 20 10 FDCDRO COc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC ZINC000271868275 674390841 /nfs/dbraw/zinc/39/08/41/674390841.db2.gz WXTVMFCRVOWYTJ-UHFFFAOYSA-N 1 0 372.468 1.539 20 10 FDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821611105 607387191 /nfs/dbraw/zinc/38/71/91/607387191.db2.gz QSYRDWVUCSYLDS-AWEZNQCLSA-N 1 0 367.461 1.303 20 10 FDCDRO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1-c1nn[nH]n1 ZINC000826202737 607569910 /nfs/dbraw/zinc/56/99/10/607569910.db2.gz LPULWSBTWUAINS-UHFFFAOYSA-N 1 0 355.354 1.599 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277404431 674935560 /nfs/dbraw/zinc/93/55/60/674935560.db2.gz BNRSMEQNSZQHIV-UHFFFAOYSA-N 1 0 370.291 1.799 20 10 FDCDRO C[NH+](C)CCN1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000152039307 671876913 /nfs/dbraw/zinc/87/69/13/671876913.db2.gz GBXNJUGQDDVNNG-UHFFFAOYSA-N 1 0 371.576 1.951 20 10 FDCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000288535844 676019230 /nfs/dbraw/zinc/01/92/30/676019230.db2.gz UUIWEOSMNSGUCO-JSGCOSHPSA-N 1 0 367.471 1.463 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000264698400 672921497 /nfs/dbraw/zinc/92/14/97/672921497.db2.gz GJKNHIUBTUMADE-KRWDZBQOSA-N 1 0 355.504 1.331 20 10 FDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1C ZINC000264754203 672924044 /nfs/dbraw/zinc/92/40/44/672924044.db2.gz RUZIPZVZHNSJJS-MRXNPFEDSA-N 1 0 356.488 1.582 20 10 FDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266509100 673134765 /nfs/dbraw/zinc/13/47/65/673134765.db2.gz ZRUIFOACZLNWJI-CYBMUJFWSA-N 1 0 355.460 1.320 20 10 FDCDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C)c1O ZINC000281268296 675506158 /nfs/dbraw/zinc/50/61/58/675506158.db2.gz NOVQWEIUISKLKW-UHFFFAOYSA-N 1 0 369.893 1.576 20 10 FDCDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)CC2 ZINC000363916001 676978386 /nfs/dbraw/zinc/97/83/86/676978386.db2.gz CVVCJCCCUYOTEG-UHFFFAOYSA-N 1 0 367.471 1.464 20 10 FDCDRO COc1c(O)c(CN2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000365825374 677384901 /nfs/dbraw/zinc/38/49/01/677384901.db2.gz NYOBTPBGYUNSPC-UHFFFAOYSA-N 1 0 353.419 1.588 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373148640 678037533 /nfs/dbraw/zinc/03/75/33/678037533.db2.gz XWHRQJZZKIIPFY-FUHWJXTLSA-N 1 0 352.475 1.620 20 10 FDCDRO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376947847 678412731 /nfs/dbraw/zinc/41/27/31/678412731.db2.gz VBBHZRSAVBVJBW-CABCVRRESA-N 1 0 365.861 1.747 20 10 FDCDRO CN(C)c1ccc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000377201112 678481339 /nfs/dbraw/zinc/48/13/39/678481339.db2.gz GBKCRGADCVILLR-KRWDZBQOSA-N 1 0 351.516 1.494 20 10 FDCDRO Cc1cnc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)nn2c1 ZINC000891245363 774075480 /nfs/dbraw/zinc/07/54/80/774075480.db2.gz CYWBHAUMWGXGMZ-INIZCTEOSA-N 1 0 367.457 1.531 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C2(N3CCOCC3)CC2)[NH+](C)C)cc1 ZINC000891245228 774079082 /nfs/dbraw/zinc/07/90/82/774079082.db2.gz AJJUOKGFVSJEHU-SFHVURJKSA-N 1 0 360.502 1.336 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc(N(C)C)cn2)[NH+](C)C)cc1 ZINC000891246362 774087924 /nfs/dbraw/zinc/08/79/24/774087924.db2.gz BMQGZDCAWRJHSG-QGZVFWFLSA-N 1 0 356.474 1.641 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891248624 774098236 /nfs/dbraw/zinc/09/82/36/774098236.db2.gz ZNGNAKQLWRWYQQ-SFHVURJKSA-N 1 0 373.501 1.372 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891248623 774098315 /nfs/dbraw/zinc/09/83/15/774098315.db2.gz ZNGNAKQLWRWYQQ-GOSISDBHSA-N 1 0 373.501 1.372 20 10 FDCDRO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248950 774112582 /nfs/dbraw/zinc/11/25/82/774112582.db2.gz PAAJHIJEYWYQEU-KRWDZBQOSA-N 1 0 371.485 1.450 20 10 FDCDRO COCc1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250596 774115486 /nfs/dbraw/zinc/11/54/86/774115486.db2.gz XUQZKTVFEIXJFJ-GOSISDBHSA-N 1 0 359.474 1.665 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3cc(S(C)(=O)=O)ccn3)cc2)CC1 ZINC001167426803 774585625 /nfs/dbraw/zinc/58/56/25/774585625.db2.gz LEPVXBTVXNZTLA-UHFFFAOYSA-N 1 0 360.483 1.849 20 10 FDCDRO COC(=O)Cc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167431339 774657012 /nfs/dbraw/zinc/65/70/12/774657012.db2.gz UHNNQULSHRUQEN-UHFFFAOYSA-N 1 0 355.442 1.556 20 10 FDCDRO COCCn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1=O ZINC001167436883 774919584 /nfs/dbraw/zinc/91/95/84/774919584.db2.gz DYKCFLVZFPFYTA-UHFFFAOYSA-N 1 0 357.458 1.254 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891415229 776966411 /nfs/dbraw/zinc/96/64/11/776966411.db2.gz OVAKSPOKDQQWPL-OAHLLOKOSA-N 1 0 368.428 1.567 20 10 FDCDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4cc(OC)ccc4O)C[C@H]3C2)no1 ZINC000378443339 794144294 /nfs/dbraw/zinc/14/42/94/794144294.db2.gz MNZLDZCCIUVITA-GJZGRUSLSA-N 1 0 358.442 1.910 20 10 FDCDRO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000183337815 794269699 /nfs/dbraw/zinc/26/96/99/794269699.db2.gz AGAACPPUSNQYLV-KRWDZBQOSA-N 1 0 369.469 1.962 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC[NH2+]CCCO ZINC001105085798 795208476 /nfs/dbraw/zinc/20/84/76/795208476.db2.gz FQEMBVWOTNPBRE-UKRRQHHQSA-N 1 0 361.446 1.919 20 10 FDCDRO CCCC[N@H+](CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000123439135 795727514 /nfs/dbraw/zinc/72/75/14/795727514.db2.gz WEPQTUDKHFGOJJ-UHFFFAOYSA-N 1 0 367.465 1.373 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H](O)COCC2CC2)c2cc(F)ccc2n1C ZINC000894221832 811373865 /nfs/dbraw/zinc/37/38/65/811373865.db2.gz XNYDEYSFXHFYSZ-AWEZNQCLSA-N 1 0 364.417 1.981 20 10 FDCDRO CO[C@]1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1 ZINC000894226945 811500148 /nfs/dbraw/zinc/50/01/48/811500148.db2.gz OYBDEAPERHHXGG-HKUYNNGSSA-N 1 0 364.490 1.460 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(O)c1OC ZINC000894429124 818044206 /nfs/dbraw/zinc/04/42/06/818044206.db2.gz ZWGNLFWPKYRHNP-CYBMUJFWSA-N 1 0 364.364 1.762 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894644851 818280105 /nfs/dbraw/zinc/28/01/05/818280105.db2.gz ZIEBUHYORBCOEW-QWHCGFSZSA-N 1 0 364.417 1.839 20 10 FDCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894844276 818794683 /nfs/dbraw/zinc/79/46/83/818794683.db2.gz YLGOMQQSPPJVJT-OCCSQVGLSA-N 1 0 374.453 1.714 20 10 FDCDRO CC(C)CN1C(=O)C(=CNC[C@H](c2ccccc2)[NH+](C)C)C(=O)NC1=S ZINC000028976045 819833657 /nfs/dbraw/zinc/83/36/57/819833657.db2.gz XPXGMNAWKUNXTK-DDITZMBXSA-N 1 0 374.510 1.662 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2cn(C)cn2)[NH+](C)C)cc1 ZINC000895291503 822411693 /nfs/dbraw/zinc/41/16/93/822411693.db2.gz MJRPYMQONQSLFE-SFHVURJKSA-N 1 0 358.490 1.631 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCc2ncn(C)n2)[NH+](C)C)cc1 ZINC000895498101 822629318 /nfs/dbraw/zinc/62/93/18/822629318.db2.gz JOIHWWYOAZGTHP-KRWDZBQOSA-N 1 0 373.505 1.416 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895780818 822746440 /nfs/dbraw/zinc/74/64/40/822746440.db2.gz VLUDISIYMFXHIH-FQEVSTJZSA-N 1 0 373.497 1.232 20 10 FDCDRO COC(=O)c1c(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c2cc(F)ccc2n1C ZINC000897348450 828524277 /nfs/dbraw/zinc/52/42/77/828524277.db2.gz HGCNZVLXAJKBCG-GFCCVEGCSA-N 1 0 371.416 1.880 20 10 FDCDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccn1 ZINC000262045538 837403431 /nfs/dbraw/zinc/40/34/31/837403431.db2.gz LYIUCXSVIIVJED-QGZVFWFLSA-N 1 0 353.470 1.609 20 10 FDCDRO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CCC1 ZINC000897699702 840243911 /nfs/dbraw/zinc/24/39/11/840243911.db2.gz IDDXYVNGVQSQRX-LJQANCHMSA-N 1 0 363.410 1.791 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc[nH]1 ZINC000897750504 840314031 /nfs/dbraw/zinc/31/40/31/840314031.db2.gz PSHILSDXKRAAAU-OAHLLOKOSA-N 1 0 369.469 1.260 20 10 FDCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2Cl)C1 ZINC000842029705 840801882 /nfs/dbraw/zinc/80/18/82/840801882.db2.gz HYQWKIWLWBUWSJ-LBPRGKRZSA-N 1 0 352.866 1.267 20 10 FDCDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000842037421 840847391 /nfs/dbraw/zinc/84/73/91/840847391.db2.gz CWCNTPPYYFTFLW-KRWDZBQOSA-N 1 0 372.469 1.720 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1O ZINC000927027667 843340623 /nfs/dbraw/zinc/34/06/23/843340623.db2.gz UXJOPKGGLYHOCY-WCBMZHEXSA-N 1 0 352.250 1.211 20 10 FDCDRO CN(C)c1ccc([C@@H](CNCc2cn(C[C@H]3CCCO3)nn2)[NH+](C)C)cc1 ZINC000898447251 844714066 /nfs/dbraw/zinc/71/40/66/844714066.db2.gz IBSMNXYAUFLMRN-WOJBJXKFSA-N 1 0 372.517 1.916 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000842147892 844938069 /nfs/dbraw/zinc/93/80/69/844938069.db2.gz IGDZJLXGERBFLU-ZFWWWQNUSA-N 1 0 350.438 1.142 20 10 FDCDRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C[NH3+] ZINC000842170617 845204504 /nfs/dbraw/zinc/20/45/04/845204504.db2.gz KXNGCMTWDZYQDA-RDJZCZTQSA-N 1 0 356.470 1.122 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1F ZINC000842210302 845625274 /nfs/dbraw/zinc/62/52/74/845625274.db2.gz YVXJASWVJDYEOH-UHFFFAOYSA-N 1 0 350.438 1.156 20 10 FDCDRO O=C(NCC1CC[NH2+]CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842223616 845732049 /nfs/dbraw/zinc/73/20/49/845732049.db2.gz MGEBBUXDUFGYTE-UHFFFAOYSA-N 1 0 371.437 1.630 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCN(C(=O)C3CC3)C2)[NH+](C)C)cc1 ZINC000899097718 845759916 /nfs/dbraw/zinc/75/99/16/845759916.db2.gz FXJILNFCTPXBPO-SFHVURJKSA-N 1 0 373.501 1.577 20 10 FDCDRO CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H](C)O ZINC000842230944 845769859 /nfs/dbraw/zinc/76/98/59/845769859.db2.gz CDKQTCIBXGOOOV-GDBMZVCRSA-N 1 0 351.466 1.991 20 10 FDCDRO C[C@H](CO)N(C[C@H](C)O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102033 845774553 /nfs/dbraw/zinc/77/45/53/845774553.db2.gz JTWBOORXCVHNEE-RVKKMQEKSA-N 1 0 366.506 1.129 20 10 FDCDRO C[C@@H]1CC(=O)NCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102984 845775560 /nfs/dbraw/zinc/77/55/60/845775560.db2.gz UBVSTLDFRVCLEO-PBHICJAKSA-N 1 0 361.490 1.275 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCn3nncc3C2)[NH+](C)C)cc1 ZINC000899098291 845791858 /nfs/dbraw/zinc/79/18/58/845791858.db2.gz NIZICSZLDDKMFA-SFHVURJKSA-N 1 0 371.489 1.562 20 10 FDCDRO Cc1cnc2c(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cnn2c1 ZINC000899211291 845945768 /nfs/dbraw/zinc/94/57/68/845945768.db2.gz JWGHIEYBECAGLT-UHFFFAOYSA-N 1 0 364.453 1.720 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=S)NC[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000899724265 846625668 /nfs/dbraw/zinc/62/56/68/846625668.db2.gz LLOQNEADXWQNKH-RHSMWYFYSA-N 1 0 350.532 1.856 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000904974398 851533486 /nfs/dbraw/zinc/53/34/86/851533486.db2.gz SXWZDFQKKUCLCK-UZLBHIALSA-N 1 0 358.486 1.441 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)C3(O)CCC3)CC2)cc1 ZINC000905029123 851625921 /nfs/dbraw/zinc/62/59/21/851625921.db2.gz YVBQDEQQIPLGIB-LJQANCHMSA-N 1 0 363.502 1.073 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000905620998 852093655 /nfs/dbraw/zinc/09/36/55/852093655.db2.gz JBHXEFSWDGMNED-LMNJBCLMSA-N 1 0 359.514 1.958 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000906772959 853298499 /nfs/dbraw/zinc/29/84/99/853298499.db2.gz RIERUYLAKJXJOF-GOSISDBHSA-N 1 0 369.469 1.692 20 10 FDCDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)CC1 ZINC000910951838 857923269 /nfs/dbraw/zinc/92/32/69/857923269.db2.gz WCFNKEJRXBJZKF-UHFFFAOYSA-N 1 0 355.438 1.775 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)cc1F ZINC000911115957 858211822 /nfs/dbraw/zinc/21/18/22/858211822.db2.gz VSNYZPIQKPGCJC-CQSZACIVSA-N 1 0 350.438 1.156 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1C[NH3+] ZINC000911160020 858242983 /nfs/dbraw/zinc/24/29/83/858242983.db2.gz WCQLNAMQIMQTDM-WBVHZDCISA-N 1 0 356.470 1.122 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517611 858728569 /nfs/dbraw/zinc/72/85/69/858728569.db2.gz WTEITHZSHSXZEC-IEBWSBKVSA-N 1 0 367.449 1.872 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 ZINC000911667703 858880854 /nfs/dbraw/zinc/88/08/54/858880854.db2.gz QTASZQIEMNDPON-QAPCUYQASA-N 1 0 353.426 1.457 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](C[C@H]4CCOC4)CC3)cc2N1 ZINC000761907792 874822539 /nfs/dbraw/zinc/82/25/39/874822539.db2.gz PFNVHIBABJPKTH-GFCCVEGCSA-N 1 0 362.386 1.084 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2N1 ZINC000761907793 874822895 /nfs/dbraw/zinc/82/28/95/874822895.db2.gz PFNVHIBABJPKTH-LBPRGKRZSA-N 1 0 362.386 1.084 20 10 FDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)nn1 ZINC000762457389 875946938 /nfs/dbraw/zinc/94/69/38/875946938.db2.gz BTGSXVMIEIFIEY-WBMJQRKESA-N 1 0 374.397 1.033 20 10 FDCDRO COc1ccc(O)c(CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000763020880 877582948 /nfs/dbraw/zinc/58/29/48/877582948.db2.gz LIQPCZKAIXHKDY-UHFFFAOYSA-N 1 0 374.441 1.736 20 10 FDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000763032646 877599918 /nfs/dbraw/zinc/59/99/18/877599918.db2.gz XZLUZKQZUYDLFC-MRXNPFEDSA-N 1 0 358.486 1.489 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000763049892 877685368 /nfs/dbraw/zinc/68/53/68/877685368.db2.gz JIWRJSLMBKCZGO-SFHVURJKSA-N 1 0 352.454 1.538 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)C(C)C)cc2F)CC1 ZINC000154825477 878755106 /nfs/dbraw/zinc/75/51/06/878755106.db2.gz UHIYYUQBEOTOCT-SFHVURJKSA-N 1 0 366.481 1.784 20 10 FDCDRO COc1ccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)cc1C ZINC000922768372 879226376 /nfs/dbraw/zinc/22/63/76/879226376.db2.gz HAAHFNVHZDMJSU-UHFFFAOYSA-N 1 0 355.438 1.526 20 10 FDCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1 ZINC000922822540 879418922 /nfs/dbraw/zinc/41/89/22/879418922.db2.gz HXTPPJGLEGDXLA-INIZCTEOSA-N 1 0 368.524 1.880 20 10 FDCDRO CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918907307 885011220 /nfs/dbraw/zinc/01/12/20/885011220.db2.gz WZHDEYYZUMOVQE-ZWKOTPCHSA-N 1 0 359.470 1.644 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnn(C)c3N)cc2F)CC1 ZINC000184431328 897645934 /nfs/dbraw/zinc/64/59/34/897645934.db2.gz OMYPVEOTOKXESE-UHFFFAOYSA-N 1 0 360.437 1.213 20 10 FDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000139766841 907383559 /nfs/dbraw/zinc/38/35/59/907383559.db2.gz VTUGFCGDKLUWSF-FUHWJXTLSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C)cc1C ZINC001082725626 909846934 /nfs/dbraw/zinc/84/69/34/909846934.db2.gz SYODWTGQLMSIQA-KKVAFCGZSA-N 1 0 359.470 1.609 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)n(C)n3)cc2F)CC1 ZINC000730193549 916304866 /nfs/dbraw/zinc/30/48/66/916304866.db2.gz LSBCBDUAELUYSB-UHFFFAOYSA-N 1 0 359.449 1.940 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@](C)(CO)c1ccccc1)cc2=O ZINC000731843871 918669145 /nfs/dbraw/zinc/66/91/45/918669145.db2.gz ADKHCMLWLDDOQR-IBGZPJMESA-N 1 0 370.409 1.609 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H]1CC[N@@H+](C3CC3)C1)cc2=O ZINC000732213739 919212654 /nfs/dbraw/zinc/21/26/54/919212654.db2.gz GQEBCPDBMKDBCR-CQSZACIVSA-N 1 0 359.430 1.280 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]n2)cc1C ZINC001085388660 924386500 /nfs/dbraw/zinc/38/65/00/924386500.db2.gz WKHPSFLKDZJCGJ-HZPDHXFCSA-N 1 0 357.458 1.881 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NN2CCOCC2)C1 ZINC000769863106 929704942 /nfs/dbraw/zinc/70/49/42/929704942.db2.gz DMVHIUFKBWFXLY-UHFFFAOYSA-N 1 0 356.470 1.771 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000746105505 930335918 /nfs/dbraw/zinc/33/59/18/930335918.db2.gz XWNBEJWPHIVWIJ-GOSISDBHSA-N 1 0 374.529 1.901 20 10 FDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000787751224 932386559 /nfs/dbraw/zinc/38/65/59/932386559.db2.gz LHGZKTPPMJFKSO-ZDUSSCGKSA-N 1 0 370.544 1.732 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000787752154 932387482 /nfs/dbraw/zinc/38/74/82/932387482.db2.gz SEFGXBKXIGXIST-INIZCTEOSA-N 1 0 360.502 1.668 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788562189 932732058 /nfs/dbraw/zinc/73/20/58/932732058.db2.gz JQLQIKOWVACGQG-IEBWSBKVSA-N 1 0 372.513 1.844 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788583425 932747373 /nfs/dbraw/zinc/74/73/73/932747373.db2.gz KEZPFKQNVZWBHA-PKOBYXMFSA-N 1 0 368.481 1.422 20 10 FDCDRO CC[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000788935807 932898645 /nfs/dbraw/zinc/89/86/45/932898645.db2.gz GGGPUTPWUOSBAY-UHFFFAOYSA-N 1 0 360.502 1.750 20 10 FDCDRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000790184751 933421398 /nfs/dbraw/zinc/42/13/98/933421398.db2.gz AKLQJOYVWYHLCP-HZPDHXFCSA-N 1 0 360.502 1.778 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nccc(C)n3)CC2)cc1 ZINC000791474716 934035229 /nfs/dbraw/zinc/03/52/29/934035229.db2.gz GYMAYMPNFKDKCM-UHFFFAOYSA-N 1 0 369.469 1.736 20 10 FDCDRO C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)[N@H+](C)C1CC1 ZINC000804429613 938431589 /nfs/dbraw/zinc/43/15/89/938431589.db2.gz GCWKLRDTXMPGMR-NSHDSACASA-N 1 0 356.517 1.340 20 10 FDCDRO CC[N@@H+]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806278960 939877075 /nfs/dbraw/zinc/87/70/75/939877075.db2.gz APDQEPGQLABPQU-UHFFFAOYSA-N 1 0 356.517 1.296 20 10 FDCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806280249 939878175 /nfs/dbraw/zinc/87/81/75/939878175.db2.gz LUXWCZGGPQCGDB-STQMWFEESA-N 1 0 370.544 1.540 20 10 FDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806280248 939878238 /nfs/dbraw/zinc/87/82/38/939878238.db2.gz LUXWCZGGPQCGDB-QWHCGFSZSA-N 1 0 370.544 1.540 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000807098113 940249033 /nfs/dbraw/zinc/24/90/33/940249033.db2.gz TWQCRPFSECUXHO-SFHVURJKSA-N 1 0 358.486 1.374 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000807099576 940249419 /nfs/dbraw/zinc/24/94/19/940249419.db2.gz ZTVGDYPEUUUVBS-PKOBYXMFSA-N 1 0 372.513 1.620 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000807673729 940451887 /nfs/dbraw/zinc/45/18/87/940451887.db2.gz YAUPRIXXYKUDTE-KVSKMBFKSA-N 1 0 372.513 1.873 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000807679447 940454594 /nfs/dbraw/zinc/45/45/94/940454594.db2.gz RVVZPJIDLLPETL-CABCVRRESA-N 1 0 358.486 1.696 20 10 FDCDRO CN(C(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000808855141 940640263 /nfs/dbraw/zinc/64/02/63/940640263.db2.gz 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C[NH2+]CC1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000817926281 943082416 /nfs/dbraw/zinc/08/24/16/943082416.db2.gz DJVYRJBYSAWTDE-UHFFFAOYSA-N 1 0 372.513 1.702 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@H]1[NH3+] ZINC000817926465 943082681 /nfs/dbraw/zinc/08/26/81/943082681.db2.gz JIMLYBPSXRWCFT-KBXCAEBGSA-N 1 0 358.486 1.439 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)cc(F)c1[O-] ZINC000817946471 943090379 /nfs/dbraw/zinc/09/03/79/943090379.db2.gz XXRPTVXDYYNYSZ-SECBINFHSA-N 1 0 360.227 1.376 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000817932713 943098419 /nfs/dbraw/zinc/09/84/19/943098419.db2.gz WWEQPLZKHLQRGA-NVXWUHKLSA-N 1 0 360.502 1.685 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000818676896 943338046 /nfs/dbraw/zinc/33/80/46/943338046.db2.gz QEPDVXXYCQCTOZ-OAGGEKHMSA-N 1 0 374.485 1.024 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)Cn3ccnc3)CC2)cc1 ZINC000818960084 943343119 /nfs/dbraw/zinc/34/31/19/943343119.db2.gz XKWQSYGGDQBJFS-HKUYNNGSSA-N 1 0 373.501 1.053 20 10 FDCDRO CC[C@H](COC)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819090598 943416124 /nfs/dbraw/zinc/41/61/24/943416124.db2.gz YKYOQLOLBMNNLK-SJLPKXTDSA-N 1 0 351.491 1.193 20 10 FDCDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121104 943448427 /nfs/dbraw/zinc/44/84/27/943448427.db2.gz GTLHJTKZEZYCLP-PBHICJAKSA-N 1 0 370.465 1.289 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cnn(C)c3C)CC2)cc1 ZINC000819191799 943469902 /nfs/dbraw/zinc/46/99/02/943469902.db2.gz UQLCLWCWAIPDDB-LJQANCHMSA-N 1 0 373.501 1.010 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000819210274 943488548 /nfs/dbraw/zinc/48/85/48/943488548.db2.gz BBWIJMNXOSCHOA-PKOBYXMFSA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000819225306 943497071 /nfs/dbraw/zinc/49/70/71/943497071.db2.gz VZEKJIXGBFXVGO-HKUYNNGSSA-N 1 0 363.502 1.194 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819887309 943773654 /nfs/dbraw/zinc/77/36/54/943773654.db2.gz ITIYEORGTHLKIA-MRXNPFEDSA-N 1 0 369.531 1.783 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)OCO2 ZINC000823727155 946471213 /nfs/dbraw/zinc/47/12/13/946471213.db2.gz QMZOOKVBZFRPOM-UHFFFAOYSA-N 1 0 355.354 1.470 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825267052 947099591 /nfs/dbraw/zinc/09/95/91/947099591.db2.gz PSZALTOTLBGXMW-AEFFLSMTSA-N 1 0 350.484 1.579 20 10 FDCDRO Cc1cc(O)c(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1Cl ZINC000825502722 947286749 /nfs/dbraw/zinc/28/67/49/947286749.db2.gz ZSGVDDYUFYCJHK-UHFFFAOYSA-N 1 0 365.865 1.840 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000844173105 947814181 /nfs/dbraw/zinc/81/41/81/947814181.db2.gz SOIOOUYSHGCOQT-CYBMUJFWSA-N 1 0 357.376 1.523 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844173800 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HMUHSEWZQGUROF-OAHLLOKOSA-N 1 0 372.425 1.175 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c(O)c1 ZINC001144508158 949737022 /nfs/dbraw/zinc/73/70/22/949737022.db2.gz KBARAJLSFBUXCK-VLIAUNLRSA-N 1 0 372.421 1.864 20 10 FDCDRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509173 949784737 /nfs/dbraw/zinc/78/47/37/949784737.db2.gz NNOUODNSOQPYFU-LJQANCHMSA-N 1 0 370.409 1.613 20 10 FDCDRO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(O)cc2O)N1Cc1cccnc1 ZINC001144510436 949792206 /nfs/dbraw/zinc/79/22/06/949792206.db2.gz YXBRDAXFLUBEQQ-HZPDHXFCSA-N 1 0 355.394 1.574 20 10 FDCDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C)n1-c1ccccn1 ZINC000846357659 950994105 /nfs/dbraw/zinc/99/41/05/950994105.db2.gz SIUKAESOAHZYIX-UHFFFAOYSA-N 1 0 369.469 1.335 20 10 FDCDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000846733118 951510461 /nfs/dbraw/zinc/51/04/61/951510461.db2.gz GCGQUIOJSSSFNN-UHFFFAOYSA-N 1 0 370.497 1.623 20 10 FDCDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000846856105 951652966 /nfs/dbraw/zinc/65/29/66/951652966.db2.gz OCYDFXNECYAFAY-INIZCTEOSA-N 1 0 367.490 1.147 20 10 FDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cccc(I)c2O)C1 ZINC001206444775 960646246 /nfs/dbraw/zinc/64/62/46/960646246.db2.gz KRIHQFPMQRCVRW-NXEZZACHSA-N 1 0 350.175 1.868 20 10 FDCDRO CS[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1[NH+](C)C ZINC000774536929 962482954 /nfs/dbraw/zinc/48/29/54/962482954.db2.gz PQBNISRTCJZMLP-TZMCWYRMSA-N 1 0 352.416 1.408 20 10 FDCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(Cn2cccn2)C(N)=O)c1O ZINC001176861273 963573541 /nfs/dbraw/zinc/57/35/41/963573541.db2.gz WPSORJKIIZNHFJ-MRXNPFEDSA-N 1 0 350.806 1.479 20 10 FDCDRO COc1c(O)c(CN2CCN(Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000774877234 963937726 /nfs/dbraw/zinc/93/77/26/963937726.db2.gz XDENOQLPVMCYTN-UHFFFAOYSA-N 1 0 361.402 1.360 20 10 FDCDRO C[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258045 967016064 /nfs/dbraw/zinc/01/60/64/967016064.db2.gz PLGOZYOMHOMTLF-HZPDHXFCSA-N 1 0 352.500 1.999 20 10 FDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775258926 967019243 /nfs/dbraw/zinc/01/92/43/967019243.db2.gz CDBOCPQBJHGXRO-JTDSTZFVSA-N 1 0 361.486 1.858 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C3([NH3+])CC4(CCC4)C3)cc2)CC1 ZINC000852889173 967692394 /nfs/dbraw/zinc/69/23/94/967692394.db2.gz FBMRVKRNEOFJFB-UHFFFAOYSA-N 1 0 370.497 1.633 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852916266 967705409 /nfs/dbraw/zinc/70/54/09/967705409.db2.gz BEQTXHAGWNOYAP-KRWDZBQOSA-N 1 0 371.403 1.806 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852917118 967706277 /nfs/dbraw/zinc/70/62/77/967706277.db2.gz HVLUYRGGZSLDKO-UHFFFAOYSA-N 1 0 370.497 1.585 20 10 FDCDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(O)c1O ZINC000776638097 967782967 /nfs/dbraw/zinc/78/29/67/967782967.db2.gz KNNOGDGCUHBZKA-CQSZACIVSA-N 1 0 364.442 1.978 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000853452447 968020697 /nfs/dbraw/zinc/02/06/97/968020697.db2.gz IPQVITPUQDEEMR-MRXNPFEDSA-N 1 0 364.465 1.898 20 10 FDCDRO COc1ccc(N2CCN(C(=O)Cc3noc([C@H]4C[C@H]([NH3+])C4)n3)CC2)cc1 ZINC000854151342 968636773 /nfs/dbraw/zinc/63/67/73/968636773.db2.gz RKKZUGRPAGGDAX-HDJSIYSDSA-N 1 0 371.441 1.174 20 10 FDCDRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(Br)ccc1O ZINC000775497486 968918903 /nfs/dbraw/zinc/91/89/03/968918903.db2.gz SLZZRCFBBCYZCL-AWEZNQCLSA-N 1 0 370.291 1.969 20 10 FDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000776813216 970390292 /nfs/dbraw/zinc/39/02/92/970390292.db2.gz VBFRVLJOWSLVSB-RTBURBONSA-N 1 0 350.459 1.433 20 10 FDCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855897696 970756974 /nfs/dbraw/zinc/75/69/74/970756974.db2.gz FRSCAOMCERLUMS-CYBMUJFWSA-N 1 0 369.487 1.614 20 10 FDCDRO NC(=O)c1cn(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)nn1 ZINC000863300711 972775622 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O=C(NCCc1ccc(O)c(O)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847589385 975873146 /nfs/dbraw/zinc/87/31/46/975873146.db2.gz IKBYHDKFIPJBCK-HNNXBMFYSA-N 1 0 350.484 1.974 20 10 FDCDRO NC(=O)[C@H]1CC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000847641602 975940941 /nfs/dbraw/zinc/94/09/41/975940941.db2.gz YOBYOCIOPCGCAA-RBUKOAKNSA-N 1 0 370.497 1.346 20 10 FDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848217209 976490629 /nfs/dbraw/zinc/49/06/29/976490629.db2.gz QHYGLMZXOZLERA-ZDUSSCGKSA-N 1 0 353.413 1.759 20 10 FDCDRO O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000923604163 976525024 /nfs/dbraw/zinc/52/50/24/976525024.db2.gz SVLGYVCMKHRMQX-UHFFFAOYSA-N 1 0 361.414 1.148 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1F ZINC000848597335 976933535 /nfs/dbraw/zinc/93/35/35/976933535.db2.gz KKHKVLOSMLLFRS-ZDUSSCGKSA-N 1 0 364.343 1.556 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1 ZINC000848600826 976940869 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COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850134756 978195431 /nfs/dbraw/zinc/19/54/31/978195431.db2.gz DXYGDNNYHMRDDX-KBRIMQKVSA-N 1 0 366.483 1.209 20 10 FDCDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509271 978410045 /nfs/dbraw/zinc/41/00/45/978410045.db2.gz QFMJOECMSJIVGF-KXBFYZLASA-N 1 0 368.449 1.481 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)N(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000851657025 978986578 /nfs/dbraw/zinc/98/65/78/978986578.db2.gz TVIDKDIKALDFQO-UHFFFAOYSA-N 1 0 363.506 1.196 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000851688608 978999645 /nfs/dbraw/zinc/99/96/45/978999645.db2.gz DSRYRELDSJEEHV-RLFYNMQTSA-N 1 0 374.485 1.024 20 10 FDCDRO NC(=O)[C@@](O)(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000851840936 979095118 /nfs/dbraw/zinc/09/51/18/979095118.db2.gz MFNADPRYRSTOJQ-WIYYLYMNSA-N 1 0 370.449 1.746 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@@H]([NH3+])CO)nn2)c(C)n1-c1cccc(F)c1 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350.463 1.186 20 10 FDCDRO [NH3+]CCCOCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000861689436 983828475 /nfs/dbraw/zinc/82/84/75/983828475.db2.gz BQTMFEFVZGVNOB-INIZCTEOSA-N 1 0 351.447 1.448 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861754453 983901398 /nfs/dbraw/zinc/90/13/98/983901398.db2.gz IIPPLZLDUSCZQS-QGZVFWFLSA-N 1 0 354.454 1.080 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861805305 983931039 /nfs/dbraw/zinc/93/10/39/983931039.db2.gz BAQSCQZMZVCZHN-NVXWUHKLSA-N 1 0 360.502 1.746 20 10 FDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000862552177 984410836 /nfs/dbraw/zinc/41/08/36/984410836.db2.gz UKKGAFPQXVZXHJ-GFCCVEGCSA-N 1 0 358.460 1.171 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])cc2)CC1 ZINC000884655011 984662047 /nfs/dbraw/zinc/66/20/47/984662047.db2.gz LYKZDENXCMBUSE-UHFFFAOYSA-N 1 0 360.502 1.783 20 10 FDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)CC1 ZINC000886324742 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989786848 /nfs/dbraw/zinc/78/68/48/989786848.db2.gz FGNBLPBAPZFXTF-YJBOKZPZSA-N 1 0 360.502 1.510 20 10 FDCDRO CN(C)C(=O)C1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCCCC1 ZINC000298124514 989911917 /nfs/dbraw/zinc/91/19/17/989911917.db2.gz KNIWDUFSFHAFMU-UHFFFAOYSA-N 1 0 360.502 1.750 20 10 FDCDRO COc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c(C(C)(C)C)c1 ZINC000825732032 990293095 /nfs/dbraw/zinc/29/30/95/990293095.db2.gz NNLRSANFDNNLMP-LJQANCHMSA-N 1 0 361.442 1.872 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000371314231 990354318 /nfs/dbraw/zinc/35/43/18/990354318.db2.gz RCRQINBWUPJLBQ-IEBWSBKVSA-N 1 0 372.513 1.702 20 10 FDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875204984 991073487 /nfs/dbraw/zinc/07/34/87/991073487.db2.gz BRCVAWOUHAULSN-INIZCTEOSA-N 1 0 360.458 1.360 20 10 FDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373370237 992183996 /nfs/dbraw/zinc/18/39/96/992183996.db2.gz PKXDKLAFROFXKZ-QGZVFWFLSA-N 1 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COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccccc2O)[C@@H]1c1cnn(C)c1C ZINC000275320674 537556190 /nfs/dbraw/zinc/55/61/90/537556190.db2.gz OVUGXZDFVLLINO-OXJNMPFZSA-N 1 0 372.469 1.760 20 10 FDCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(O)c1 ZINC000360016594 537574955 /nfs/dbraw/zinc/57/49/55/537574955.db2.gz AWFNOEMWXPZFGC-LIRRHRJNSA-N 1 0 361.442 1.991 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1nncn1C)C(C)C)cc2=O ZINC000285326252 537684994 /nfs/dbraw/zinc/68/49/94/537684994.db2.gz JIDOYSGCIUQYLE-CQSZACIVSA-N 1 0 373.417 1.227 20 10 FDCDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000294766346 537709034 /nfs/dbraw/zinc/70/90/34/537709034.db2.gz BNUQCMRHRRZEMU-CYBMUJFWSA-N 1 0 351.422 1.479 20 10 FDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000295132965 537710695 /nfs/dbraw/zinc/71/06/95/537710695.db2.gz IGYICKUQQZHILU-UHFFFAOYSA-N 1 0 352.406 1.954 20 10 FDCDRO C[C@@H]([N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000295239610 537711672 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CCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1O ZINC000076074451 671423248 /nfs/dbraw/zinc/42/32/48/671423248.db2.gz RUSOXBOHAIWZPD-UHFFFAOYSA-N 1 0 352.460 1.316 20 10 FDCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000287420319 675916110 /nfs/dbraw/zinc/91/61/10/675916110.db2.gz ZYYVOZZENUGWEB-SWLSCSKDSA-N 1 0 367.471 1.463 20 10 FDCDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106829861 671607862 /nfs/dbraw/zinc/60/78/62/671607862.db2.gz AYMROWGEWYHVMJ-UHFFFAOYSA-N 1 0 350.482 1.926 20 10 FDCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161091178 672006829 /nfs/dbraw/zinc/00/68/29/672006829.db2.gz BAVUYRUXEHRVOD-GOSISDBHSA-N 1 0 352.500 1.922 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCOC3)cc2F)CC1 ZINC000178753280 672147254 /nfs/dbraw/zinc/14/72/54/672147254.db2.gz CMCGGBCPNWVTDH-OAHLLOKOSA-N 1 0 350.438 1.556 20 10 FDCDRO COCC[NH+](CCOC)C1CCN(Cc2cccc(OC)c2O)CC1 ZINC000289260129 676112288 /nfs/dbraw/zinc/11/22/88/676112288.db2.gz FPHQKULVOATKOF-UHFFFAOYSA-N 1 0 352.475 1.960 20 10 FDCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000284155194 675673155 /nfs/dbraw/zinc/67/31/55/675673155.db2.gz PSUQUXIZJYOCQE-JKSUJKDBSA-N 1 0 352.500 1.999 20 10 FDCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(Br)cc(C)c2O)nn1 ZINC000284301716 675688284 /nfs/dbraw/zinc/68/82/84/675688284.db2.gz BPZLSJBVSSKKBZ-UHFFFAOYSA-N 1 0 369.219 1.631 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000294902651 676398497 /nfs/dbraw/zinc/39/84/97/676398497.db2.gz XJWBWHKFXGYNQO-CQSZACIVSA-N 1 0 366.405 1.411 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](O)C3)cc2F)CC1 ZINC000297815505 676429946 /nfs/dbraw/zinc/42/99/46/676429946.db2.gz XCYKOGOJWKUOOS-GASCZTMLSA-N 1 0 350.438 1.290 20 10 FDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000375256281 678098509 /nfs/dbraw/zinc/09/85/09/678098509.db2.gz OUIZUCYKIBDTJE-ZFWWWQNUSA-N 1 0 354.472 1.962 20 10 FDCDRO COC[C@@](C)(CO)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000683501315 772027666 /nfs/dbraw/zinc/02/76/66/772027666.db2.gz SQIBRITUYBPOAV-OAQYLSRUSA-N 1 0 373.497 1.921 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)[NH+](C)C)cc1 ZINC000891246189 774083955 /nfs/dbraw/zinc/08/39/55/774083955.db2.gz NEWARAZIYVISHX-DPCFLFMUSA-N 1 0 370.453 1.877 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)[NH+](C)C)cc1 ZINC000891246190 774084168 /nfs/dbraw/zinc/08/41/68/774084168.db2.gz NEWARAZIYVISHX-JICACKBISA-N 1 0 370.453 1.877 20 10 FDCDRO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247805 774098902 /nfs/dbraw/zinc/09/89/02/774098902.db2.gz VITFIFXTAHCXSJ-YOEHRIQHSA-N 1 0 372.469 1.883 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CC[C@]2(C)CCC(=O)N2)[NH+](C)C)cc1 ZINC000891249400 774107288 /nfs/dbraw/zinc/10/72/88/774107288.db2.gz SNVOBGXMXSURSZ-FXAWDEMLSA-N 1 0 360.502 1.920 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CC[C@@]2(C)CCC(=O)N2)[NH+](C)C)cc1 ZINC000891249401 774107430 /nfs/dbraw/zinc/10/74/30/774107430.db2.gz SNVOBGXMXSURSZ-PXNSSMCTSA-N 1 0 360.502 1.920 20 10 FDCDRO CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891253401 774143517 /nfs/dbraw/zinc/14/35/17/774143517.db2.gz SCAMXOUFIJEXNS-UYAOXDASSA-N 1 0 360.502 1.730 20 10 FDCDRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000891385753 776504688 /nfs/dbraw/zinc/50/46/88/776504688.db2.gz RJFKDYUIQOPHJX-HDJSIYSDSA-N 1 0 350.438 1.323 20 10 FDCDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c(F)ccc(O)c1O ZINC000276594383 778328249 /nfs/dbraw/zinc/32/82/49/778328249.db2.gz NJWAOEJCGSVTCQ-AWEZNQCLSA-N 1 0 360.385 1.734 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000892001532 781165446 /nfs/dbraw/zinc/16/54/46/781165446.db2.gz VUDAAPICNKPDLB-HNNXBMFYSA-N 1 0 362.474 1.535 20 10 FDCDRO COC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@H]1CCCO1 ZINC000892056822 781375191 /nfs/dbraw/zinc/37/51/91/781375191.db2.gz ARGNOTQCRKHXRN-CQSZACIVSA-N 1 0 353.415 1.954 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)c(OC)c1 ZINC000892095287 781512539 /nfs/dbraw/zinc/51/25/39/781512539.db2.gz VYPVTIFKERUWST-HOCLYGCPSA-N 1 0 362.474 1.533 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000376361753 787457862 /nfs/dbraw/zinc/45/78/62/787457862.db2.gz UNZHXDVLQXDSRU-TZIWHRDSSA-N 1 0 373.497 1.750 20 10 FDCDRO CCOc1ccc(O)c(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000893550890 806218570 /nfs/dbraw/zinc/21/85/70/806218570.db2.gz PIVMPHZWPIMMLY-UHFFFAOYSA-N 1 0 361.446 1.277 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](CO)CC(C)C)CC2)cc1 ZINC000185325043 794696137 /nfs/dbraw/zinc/69/61/37/794696137.db2.gz JVGMDZLSZJHOCB-SFHVURJKSA-N 1 0 363.502 1.683 20 10 FDCDRO CNS(=O)(=O)c1ccc2c(c1)N(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662255596 806356352 /nfs/dbraw/zinc/35/63/52/806356352.db2.gz FKODMFNAIPFVOR-UHFFFAOYSA-N 1 0 357.479 1.803 20 10 FDCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@](C)(O)C[NH+](C)C)CCCC1 ZINC000651566317 800493157 /nfs/dbraw/zinc/49/31/57/800493157.db2.gz ZAEVCPLOVUKRMG-OAQYLSRUSA-N 1 0 373.497 1.958 20 10 FDCDRO Oc1ccc(C[C@H](O)c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1O ZINC001211668815 803791076 /nfs/dbraw/zinc/79/10/76/803791076.db2.gz XBCFIJDEIGRKHR-INIZCTEOSA-N 1 0 354.366 1.465 20 10 FDCDRO CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893606947 807032968 /nfs/dbraw/zinc/03/29/68/807032968.db2.gz BTKBRWFZVGQJPV-KXBFYZLASA-N 1 0 360.502 1.605 20 10 FDCDRO COC(=O)c1c(CN2CC[NH+](C[C@@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000894002737 809859154 /nfs/dbraw/zinc/85/91/54/809859154.db2.gz RDJHUNCLZBDXDZ-CYBMUJFWSA-N 1 0 363.433 1.602 20 10 FDCDRO COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272453213 814710331 /nfs/dbraw/zinc/71/03/31/814710331.db2.gz NULBPUPQHJUDIL-GQCTYLIASA-N 1 0 362.426 1.502 20 10 FDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000288603797 816893836 /nfs/dbraw/zinc/89/38/36/816893836.db2.gz QJADZPQNVDIVJI-GOSISDBHSA-N 1 0 370.497 1.479 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCc3[nH]cnc3C2)[NH+](C)C)cc1 ZINC000894957021 819392884 /nfs/dbraw/zinc/39/28/84/819392884.db2.gz YMDLKLDYJZNCDF-HNAYVOBHSA-N 1 0 370.501 1.935 20 10 FDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000729525170 820493573 /nfs/dbraw/zinc/49/35/73/820493573.db2.gz FGFZGYUJISEWCI-QGZVFWFLSA-N 1 0 360.502 1.736 20 10 FDCDRO Oc1cc(O)c(CCNc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc1O ZINC001168018305 821758194 /nfs/dbraw/zinc/75/81/94/821758194.db2.gz ZGTQRQMPYCUVOM-GFCCVEGCSA-N 1 0 355.398 1.578 20 10 FDCDRO CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895505303 822627078 /nfs/dbraw/zinc/62/70/78/822627078.db2.gz JKXZBOGVOCCCKS-IXDOHACOSA-N 1 0 350.463 1.068 20 10 FDCDRO CCON(C)C(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895571225 822654370 /nfs/dbraw/zinc/65/43/70/822654370.db2.gz WMJFORAPEUESRQ-MRXNPFEDSA-N 1 0 365.478 1.064 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cnn(CCF)c3)cc2)CC1 ZINC000896444476 824417400 /nfs/dbraw/zinc/41/74/00/824417400.db2.gz LBTHXZSLRBKPGG-UHFFFAOYSA-N 1 0 374.464 1.604 20 10 FDCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000840830360 827100541 /nfs/dbraw/zinc/10/05/41/827100541.db2.gz DWQCAILUJHOJRU-HNNXBMFYSA-N 1 0 351.466 1.979 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C3CC(O)C3)cc2F)CC1 ZINC000760111730 827310701 /nfs/dbraw/zinc/31/07/01/827310701.db2.gz XSENVIKKVWQZRH-UHFFFAOYSA-N 1 0 364.465 1.632 20 10 FDCDRO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(N)=O ZINC000452268828 830590729 /nfs/dbraw/zinc/59/07/29/830590729.db2.gz WXDBRNJJQQEKPF-MRXNPFEDSA-N 1 0 356.470 1.788 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[NH2+]CCOC ZINC000841969312 840299278 /nfs/dbraw/zinc/29/92/78/840299278.db2.gz ZMUQHPUWVYSHBU-UHFFFAOYSA-N 1 0 374.279 1.922 20 10 FDCDRO C[C@H]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897782726 840388909 /nfs/dbraw/zinc/38/89/09/840388909.db2.gz BSKUHYZQOVTGAT-WMZOPIPTSA-N 1 0 372.513 1.607 20 10 FDCDRO C[C@@H]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000897783043 840391493 /nfs/dbraw/zinc/39/14/93/840391493.db2.gz HZXAXXVGCSPNIB-SJLPKXTDSA-N 1 0 372.513 1.607 20 10 FDCDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)N3CCCC3)CC2)cc1 ZINC000897830945 840471691 /nfs/dbraw/zinc/47/16/91/840471691.db2.gz XRABAEXLOIKFLZ-UHFFFAOYSA-N 1 0 367.515 1.679 20 10 FDCDRO C[C@@H](N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000898320204 840942031 /nfs/dbraw/zinc/94/20/31/840942031.db2.gz KTCYWYQGCFAVKW-MRXNPFEDSA-N 1 0 374.529 1.948 20 10 FDCDRO CN(Cc1ccco1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327565 840948668 /nfs/dbraw/zinc/94/86/68/840948668.db2.gz NELFEFICXLUTOX-UHFFFAOYSA-N 1 0 370.453 1.306 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000842123042 844743131 /nfs/dbraw/zinc/74/31/31/844743131.db2.gz AJTVUSIHMLLTIU-QAPCUYQASA-N 1 0 374.485 1.040 20 10 FDCDRO CN(c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC000842149779 845004101 /nfs/dbraw/zinc/00/41/01/845004101.db2.gz FJXPNESZQHHZPS-UHFFFAOYSA-N 1 0 358.486 1.504 20 10 FDCDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000842221974 845742630 /nfs/dbraw/zinc/74/26/30/845742630.db2.gz WLCIZXBDBYOHCL-SFHVURJKSA-N 1 0 354.454 1.347 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCCn3nncc3C2)[NH+](C)C)cc1 ZINC000899098289 845791471 /nfs/dbraw/zinc/79/14/71/845791471.db2.gz NIZICSZLDDKMFA-GOSISDBHSA-N 1 0 371.489 1.562 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842240444 845882683 /nfs/dbraw/zinc/88/26/83/845882683.db2.gz QVMARGVDVPIOAK-KRWDZBQOSA-N 1 0 360.502 1.748 20 10 FDCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842250969 845971929 /nfs/dbraw/zinc/97/19/29/845971929.db2.gz WHAJJERXBZKUMB-HNNXBMFYSA-N 1 0 372.469 1.585 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000842267595 846135442 /nfs/dbraw/zinc/13/54/42/846135442.db2.gz YPQRTSUVTFXMJL-WBVHZDCISA-N 1 0 360.502 1.748 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000842267593 846135724 /nfs/dbraw/zinc/13/57/24/846135724.db2.gz YPQRTSUVTFXMJL-RDJZCZTQSA-N 1 0 360.502 1.748 20 10 FDCDRO C[NH+]1CCC(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000899473255 846277684 /nfs/dbraw/zinc/27/76/84/846277684.db2.gz QPXVPRYXSDUNHK-UHFFFAOYSA-N 1 0 358.486 1.346 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3nnc4c3CCCC4)CC2)cc1 ZINC000899906414 846857528 /nfs/dbraw/zinc/85/75/28/846857528.db2.gz XHOVRTMEFROIEE-KRWDZBQOSA-N 1 0 371.485 1.349 20 10 FDCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000905054574 851614880 /nfs/dbraw/zinc/61/48/80/851614880.db2.gz JPNGIDSIPBXSRC-IYOUNJFTSA-N 1 0 352.450 1.805 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)C3(O)CCC3)CC2)cc1 ZINC000905029091 851625795 /nfs/dbraw/zinc/62/57/95/851625795.db2.gz YVBQDEQQIPLGIB-IBGZPJMESA-N 1 0 363.502 1.073 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905082323 851634224 /nfs/dbraw/zinc/63/42/24/851634224.db2.gz MBKYSIMCMWPXIT-IEBWSBKVSA-N 1 0 350.459 1.156 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C3(O)CCOCC3)C2)cc1 ZINC000905288797 851821202 /nfs/dbraw/zinc/82/12/02/851821202.db2.gz DVQUOKVVZBAPBV-CRAIPNDOSA-N 1 0 350.459 1.014 20 10 FDCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000906261075 852743287 /nfs/dbraw/zinc/74/32/87/852743287.db2.gz MOQXZMUGHCTDLH-UHFFFAOYSA-N 1 0 362.543 1.349 20 10 FDCDRO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164375744 862547846 /nfs/dbraw/zinc/54/78/46/862547846.db2.gz KBUBNPDLNZTOLC-KRWDZBQOSA-N 1 0 363.502 1.668 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2N)[NH+](C)C)cc1 ZINC000908460434 855445442 /nfs/dbraw/zinc/44/54/42/855445442.db2.gz SSCMCHJVJSMFTD-QGZVFWFLSA-N 1 0 362.499 1.916 20 10 FDCDRO CCn1nccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460677 855446461 /nfs/dbraw/zinc/44/64/61/855446461.db2.gz XFEDVCZAXSWJFB-MRXNPFEDSA-N 1 0 365.503 1.550 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)N2CCCCC2)[NH+](C)C)cc1 ZINC000908458462 855471597 /nfs/dbraw/zinc/47/15/97/855471597.db2.gz VVKZPHVEQSNQAM-KRWDZBQOSA-N 1 0 354.520 1.676 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)n3cncn3)CC2)cc1 ZINC000045204192 862812676 /nfs/dbraw/zinc/81/26/76/862812676.db2.gz AGWCOSKBEQBSNL-MRXNPFEDSA-N 1 0 372.473 1.176 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000910998874 857962427 /nfs/dbraw/zinc/96/24/27/857962427.db2.gz GDRIRQSAHRWYNI-UHFFFAOYSA-N 1 0 360.502 1.592 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000910991487 857992403 /nfs/dbraw/zinc/99/24/03/857992403.db2.gz GGZZSJWLZHSKPA-ZIAGYGMSSA-N 1 0 372.391 1.107 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H]1CC[NH3+] ZINC000911054376 858049855 /nfs/dbraw/zinc/04/98/55/858049855.db2.gz GTKACFJPORRYEV-VXGBXAGGSA-N 1 0 356.517 1.185 20 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ZINC000911231009 858378819 /nfs/dbraw/zinc/37/88/19/858378819.db2.gz WCIAQFDKZLJAHV-QGZVFWFLSA-N 1 0 358.486 1.551 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506223 858667607 /nfs/dbraw/zinc/66/76/07/858667607.db2.gz WQPQIXOIKOCCMB-UHFFFAOYSA-N 1 0 370.247 1.111 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2NCCOc3ccccc32)cc1 ZINC000911667189 858879928 /nfs/dbraw/zinc/87/99/28/858879928.db2.gz OTJDINZMEXZLJI-MJGOQNOKSA-N 1 0 354.454 1.592 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccn(CC(F)(F)F)n2)cc1 ZINC000911668237 858880738 /nfs/dbraw/zinc/88/07/38/858880738.db2.gz WWEGZTRDASAPGZ-ZDUSSCGKSA-N 1 0 355.364 1.941 20 10 FDCDRO C[NH+]1CCC(N(CCO)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000911946638 859145415 /nfs/dbraw/zinc/14/54/15/859145415.db2.gz NYDFMUUCIHKCFG-UHFFFAOYSA-N 1 0 350.440 1.841 20 10 FDCDRO CCN1C(=O)C(=CNC[C@H](c2ccccc2)[NH+](C)C)C(=O)N(CC)C1=S ZINC000028976036 881416315 /nfs/dbraw/zinc/41/63/15/881416315.db2.gz HKPMXERJOZLXOQ-MRXNPFEDSA-N 1 0 374.510 1.758 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912612227 859959305 /nfs/dbraw/zinc/95/93/05/859959305.db2.gz KXPBYQIMOWXGKN-UHFFFAOYSA-N 1 0 357.454 1.903 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@H]2C)cc1C ZINC001105796100 863227293 /nfs/dbraw/zinc/22/72/93/863227293.db2.gz JPKORXWDOOOORN-RVKKMQEKSA-N 1 0 361.486 1.712 20 10 FDCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000761229808 864453955 /nfs/dbraw/zinc/45/39/55/864453955.db2.gz UUKCIISOHCXVNH-MRXNPFEDSA-N 1 0 362.449 1.698 20 10 FDCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000152514474 871669670 /nfs/dbraw/zinc/66/96/70/871669670.db2.gz KMIWCDANIHZERR-UHFFFAOYSA-N 1 0 366.433 1.864 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000914242469 871993776 /nfs/dbraw/zinc/99/37/76/871993776.db2.gz LAXICRNWWDIPBS-CJNGLKHVSA-N 1 0 350.438 1.554 20 10 FDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)cc(OC)c3O)C2)nn1 ZINC000762459066 875946793 /nfs/dbraw/zinc/94/67/93/875946793.db2.gz GMKMTWZMZASWOV-CQSZACIVSA-N 1 0 360.414 1.924 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000763050000 877686511 /nfs/dbraw/zinc/68/65/11/877686511.db2.gz JXEXUYZEPZKDCE-HXUWFJFHSA-N 1 0 360.502 1.789 20 10 FDCDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCC(=O)N1C ZINC000922403793 878089465 /nfs/dbraw/zinc/08/94/65/878089465.db2.gz FJHDHGCQQSMODY-SGTLLEGYSA-N 1 0 358.398 1.306 20 10 FDCDRO O=C(NCCC[NH+]1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918194786 884214458 /nfs/dbraw/zinc/21/44/58/884214458.db2.gz MYQCXKNPANKLDT-UHFFFAOYSA-N 1 0 364.465 1.947 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000918444416 884471199 /nfs/dbraw/zinc/47/11/99/884471199.db2.gz PIZUKQNELKHHFW-UHFFFAOYSA-N 1 0 371.437 1.930 20 10 FDCDRO CC(=O)Nc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918906834 885008715 /nfs/dbraw/zinc/00/87/15/885008715.db2.gz RIAJPMDLTUGOAT-UHFFFAOYSA-N 1 0 367.453 1.722 20 10 FDCDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000919653960 885982747 /nfs/dbraw/zinc/98/27/47/885982747.db2.gz GBNHYUFUPLPOAW-SFHVURJKSA-N 1 0 360.502 1.789 20 10 FDCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763485632 889822889 /nfs/dbraw/zinc/82/28/89/889822889.db2.gz GYCIXXDDFLBLJK-PXNSSMCTSA-N 1 0 373.545 1.920 20 10 FDCDRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2)c1cccs1 ZINC000921925392 893006146 /nfs/dbraw/zinc/00/61/46/893006146.db2.gz QKOTWJCGFLNZHB-OAHLLOKOSA-N 1 0 367.492 1.998 20 10 FDCDRO C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1(=O)=O ZINC000763626363 896053060 /nfs/dbraw/zinc/05/30/60/896053060.db2.gz MKORMMHCQPKXSK-MRXNPFEDSA-N 1 0 351.516 1.447 20 10 FDCDRO C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1(=O)=O ZINC000763626362 896053552 /nfs/dbraw/zinc/05/35/52/896053552.db2.gz MKORMMHCQPKXSK-INIZCTEOSA-N 1 0 351.516 1.447 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1C[C@H](CO)C1 ZINC000921747864 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FDCDRO Cc1[nH]c(=O)[nH]c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000847641474 975940834 /nfs/dbraw/zinc/94/08/34/975940834.db2.gz WZZRDFKIWCTKMS-UHFFFAOYSA-N 1 0 369.469 1.886 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000847660835 975953085 /nfs/dbraw/zinc/95/30/85/975953085.db2.gz CJLXYOONQIILAG-LBPRGKRZSA-N 1 0 354.834 1.889 20 10 FDCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866833971 976140722 /nfs/dbraw/zinc/14/07/22/976140722.db2.gz GGSYQZOVLSQEQP-UHFFFAOYSA-N 1 0 373.494 1.158 20 10 FDCDRO COc1ccc(N2CC[C@H](NS(=O)(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC000867497439 976256206 /nfs/dbraw/zinc/25/62/06/976256206.db2.gz PSCNECBCCZZUNZ-INIZCTEOSA-N 1 0 367.515 1.679 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415833 976722999 /nfs/dbraw/zinc/72/29/99/976722999.db2.gz QMRCZUOIVUBDPR-FPOVZHCZSA-N 1 0 372.513 1.323 20 10 FDCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848566593 976904689 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1.745 20 10 FDCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849562282 977753344 /nfs/dbraw/zinc/75/33/44/977753344.db2.gz DRFMEBBJVPPVBE-IRXDYDNUSA-N 1 0 358.442 1.486 20 10 FDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356414 978333166 /nfs/dbraw/zinc/33/31/66/978333166.db2.gz RTWGGAZETSNSFI-UHFFFAOYSA-N 1 0 363.487 1.131 20 10 FDCDRO COc1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850358106 978334458 /nfs/dbraw/zinc/33/44/58/978334458.db2.gz GYHJSIOMHQXOGD-LJQANCHMSA-N 1 0 353.459 1.956 20 10 FDCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850506068 978406695 /nfs/dbraw/zinc/40/66/95/978406695.db2.gz DXJDYNACXQBOQZ-KXBFYZLASA-N 1 0 363.527 1.494 20 10 FDCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2ccnn21 ZINC000109761685 978789939 /nfs/dbraw/zinc/78/99/39/978789939.db2.gz NLMONUFAWMFOLZ-INIZCTEOSA-N 1 0 354.410 1.909 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])COC(C)C)cc2F)CC1 ZINC000851627381 978977571 /nfs/dbraw/zinc/97/75/71/978977571.db2.gz WSSDGQNKHIMSLR-KRWDZBQOSA-N 1 0 366.481 1.336 20 10 FDCDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCCSc2nccs2)n1 ZINC000851657997 978986920 /nfs/dbraw/zinc/98/69/20/978986920.db2.gz SUVKVFIZEAQVLD-UHFFFAOYSA-N 1 0 354.461 1.079 20 10 FDCDRO O=C(NCCC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851669803 978991257 /nfs/dbraw/zinc/99/12/57/978991257.db2.gz TZJAXYVSWBXTMN-UHFFFAOYSA-N 1 0 360.502 1.837 20 10 FDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C[NH3+] ZINC000851681847 978995711 /nfs/dbraw/zinc/99/57/11/978995711.db2.gz RAKUBFOCPHXOHL-NVXWUHKLSA-N 1 0 360.502 1.774 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)Cc3ncc[nH]3)CC2)cc1 ZINC000851874026 979141520 /nfs/dbraw/zinc/14/15/20/979141520.db2.gz YBQVBBMSBRGXLD-QGZVFWFLSA-N 1 0 359.474 1.033 20 10 FDCDRO COC[C@@H](C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000851935301 979199740 /nfs/dbraw/zinc/19/97/40/979199740.db2.gz ANZFLMPXXHBSFV-OAHLLOKOSA-N 1 0 354.447 1.496 20 10 FDCDRO 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FDCDRO Cc1ccc(O)c(C[NH+]2CCC([C@H](O)c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000378343161 793984907 /nfs/dbraw/zinc/98/49/07/793984907.db2.gz RPSUACNSADPOAM-SFHVURJKSA-N 1 0 373.453 1.044 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@H]3CCOC3)CC1)cc2=O ZINC000378645634 794467699 /nfs/dbraw/zinc/46/76/99/794467699.db2.gz FGWGTGWXZLBSHI-AWEZNQCLSA-N 1 0 374.441 1.860 20 10 FDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@H]1OC ZINC000893330499 795465305 /nfs/dbraw/zinc/46/53/05/795465305.db2.gz YQLLGEKNMYKQMA-QXCFHYIPSA-N 1 0 361.486 1.670 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000893642869 808452388 /nfs/dbraw/zinc/45/23/88/808452388.db2.gz QEFUQOOECMQHOD-LPHOPBHVSA-N 1 0 370.501 1.935 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419710754 812101636 /nfs/dbraw/zinc/10/16/36/812101636.db2.gz RBLUQNONJOHDQN-UKRRQHHQSA-N 1 0 372.469 1.332 20 10 FDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000894747696 818389738 /nfs/dbraw/zinc/38/97/38/818389738.db2.gz MAZCOFROAURLEJ-ZFWWWQNUSA-N 1 0 356.488 1.907 20 10 FDCDRO COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1O ZINC000894751890 818405540 /nfs/dbraw/zinc/40/55/40/818405540.db2.gz BFNOCASOJZCYOP-ALOPSCKCSA-N 1 0 361.486 1.882 20 10 FDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O ZINC000894761381 818422868 /nfs/dbraw/zinc/42/28/68/818422868.db2.gz PKIWJAZVZSFVGI-CQSZACIVSA-N 1 0 357.476 1.070 20 10 FDCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000760047161 820419179 /nfs/dbraw/zinc/41/91/79/820419179.db2.gz MDDLQFLECXDGLF-ZDUSSCGKSA-N 1 0 355.504 1.754 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCN(C)C(=O)OC)c2cc(F)ccc2n1C ZINC000895279112 822389289 /nfs/dbraw/zinc/38/92/89/822389289.db2.gz FMDGVHFHXBQBDR-UHFFFAOYSA-N 1 0 351.378 1.892 20 10 FDCDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1(F)F ZINC000895334204 822493066 /nfs/dbraw/zinc/49/30/66/822493066.db2.gz LMIOXMULWDVPIV-HOTGVXAUSA-N 1 0 354.397 1.792 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000895809100 822747912 /nfs/dbraw/zinc/74/79/12/822747912.db2.gz GKIJWZKRRDJCOC-AEFFLSMTSA-N 1 0 372.513 1.877 20 10 FDCDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895876380 822776976 /nfs/dbraw/zinc/77/69/76/822776976.db2.gz FBDDYGOKNHINAK-MRXNPFEDSA-N 1 0 360.502 1.789 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@H]3C3CC3)cc2)CC1 ZINC000896444891 824418067 /nfs/dbraw/zinc/41/80/67/824418067.db2.gz QBSZXTPDLFESHR-RBUKOAKNSA-N 1 0 358.486 1.663 20 10 FDCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841100936 828667830 /nfs/dbraw/zinc/66/78/30/828667830.db2.gz PEOMCBOLPAQDBX-UHFFFAOYSA-N 1 0 358.417 1.937 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3ncnc3C3CC3)CC2)cc1 ZINC000840774039 826691278 /nfs/dbraw/zinc/69/12/78/826691278.db2.gz VRJJRRYJNXHBIL-KRWDZBQOSA-N 1 0 357.458 1.347 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]1 ZINC000841722581 835226921 /nfs/dbraw/zinc/22/69/21/835226921.db2.gz OXPJFKVXXMRICY-OIISXLGYSA-N 1 0 373.501 1.328 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1Cc2ccccc2O1 ZINC000237834520 835300424 /nfs/dbraw/zinc/30/04/24/835300424.db2.gz BSWQKGYLARFONJ-LJQANCHMSA-N 1 0 355.413 1.855 20 10 FDCDRO CN(C)c1ccc([C@@H](CNc2nc3c(cnn3C)c(N)n2)[NH+](C)C)cc1 ZINC000897525067 836521409 /nfs/dbraw/zinc/52/14/09/836521409.db2.gz IWXZUFSJRSWRRT-OAHLLOKOSA-N 1 0 354.462 1.726 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000898101088 840812319 /nfs/dbraw/zinc/81/23/19/840812319.db2.gz GUOOBCICBAFENC-KZNAEPCWSA-N 1 0 370.497 1.359 20 10 FDCDRO CC[C@@H](C)CN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898324132 840944668 /nfs/dbraw/zinc/94/46/68/840944668.db2.gz IHMRXQBLXIQQFZ-QGZVFWFLSA-N 1 0 374.529 1.949 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000842147929 844938111 /nfs/dbraw/zinc/93/81/11/844938111.db2.gz IZPRVNWSRDYJDC-OCCSQVGLSA-N 1 0 350.438 1.012 20 10 FDCDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898669832 845008497 /nfs/dbraw/zinc/00/84/97/845008497.db2.gz SKEZNEQDSWUJCU-UHFFFAOYSA-N 1 0 351.472 1.926 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000842170276 845252816 /nfs/dbraw/zinc/25/28/16/845252816.db2.gz CXXBFUCJLAGCDE-NVXWUHKLSA-N 1 0 356.470 1.183 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000842223740 845748099 /nfs/dbraw/zinc/74/80/99/845748099.db2.gz OZQBHXWJIPGKGU-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO CCN(CCC(=O)NC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095413 845756494 /nfs/dbraw/zinc/75/64/94/845756494.db2.gz JSNPSDVALGHZSH-KRWDZBQOSA-N 1 0 363.506 1.523 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000842228369 845765467 /nfs/dbraw/zinc/76/54/67/845765467.db2.gz GEKUHNXRCNLOAH-NVXWUHKLSA-N 1 0 372.513 1.748 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@]23CCOC3=O)[NH+](C)C)cc1 ZINC000899101522 845773611 /nfs/dbraw/zinc/77/36/11/845773611.db2.gz ISFHETRAJYNOHO-XLIONFOSSA-N 1 0 374.485 1.846 20 10 FDCDRO C[C@@H]1c2nncn2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103389 845776307 /nfs/dbraw/zinc/77/63/07/845776307.db2.gz LIPLPYQJXVDTIA-RHSMWYFYSA-N 1 0 371.489 1.733 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(=O)N(CC3CC3)C2)[NH+](C)C)cc1 ZINC000899099181 845793756 /nfs/dbraw/zinc/79/37/56/845793756.db2.gz WNNUUGAGNHEETC-GOSISDBHSA-N 1 0 373.501 1.577 20 10 FDCDRO COC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100612 845797499 /nfs/dbraw/zinc/79/74/99/845797499.db2.gz AYTQPBMVDCFSLT-IRXDYDNUSA-N 1 0 352.479 1.052 20 10 FDCDRO COC(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899100787 845797797 /nfs/dbraw/zinc/79/77/97/845797797.db2.gz DDRDKAQJWAKWAT-RDJZCZTQSA-N 1 0 362.474 1.560 20 10 FDCDRO O=C(NCC[NH2+]C1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842234941 845835679 /nfs/dbraw/zinc/83/56/79/845835679.db2.gz WMWMNRBPPTWVLF-UHFFFAOYSA-N 1 0 357.410 1.382 20 10 FDCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2F)C[C@@H](C)O1 ZINC000905054577 851614629 /nfs/dbraw/zinc/61/46/29/851614629.db2.gz JPNGIDSIPBXSRC-LBTNJELSSA-N 1 0 352.450 1.805 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)CCCC1 ZINC000905144821 851702372 /nfs/dbraw/zinc/70/23/72/851702372.db2.gz KJLVBSVZCRAZSB-GOSISDBHSA-N 1 0 352.450 1.542 20 10 FDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905482995 851954857 /nfs/dbraw/zinc/95/48/57/851954857.db2.gz WORFRIXUDGDVLF-SFHVURJKSA-N 1 0 361.486 1.144 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)COC2CCOCC2)N(C)C)cc1 ZINC000905706295 852193675 /nfs/dbraw/zinc/19/36/75/852193675.db2.gz SOKDHFYMYPQCKW-ICSRJNTNSA-N 1 0 365.518 1.501 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3COC(C)(C)C3)CC2)cc1 ZINC000905698280 852221644 /nfs/dbraw/zinc/22/16/44/852221644.db2.gz GOPFXFJYAAEGNP-AEFFLSMTSA-N 1 0 363.502 1.335 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000906772961 853298522 /nfs/dbraw/zinc/29/85/22/853298522.db2.gz RIERUYLAKJXJOF-SFHVURJKSA-N 1 0 369.469 1.692 20 10 FDCDRO CN1CC[N@H+](C)CC(C(=O)NCc2cc(Br)ccc2O)C1 ZINC000908170086 855109117 /nfs/dbraw/zinc/10/91/17/855109117.db2.gz JRNAMVLAOQZSER-UHFFFAOYSA-N 1 0 356.264 1.264 20 10 FDCDRO Cc1nc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1C ZINC000908458607 855442858 /nfs/dbraw/zinc/44/28/58/855442858.db2.gz YRAJFJZUHYPEJM-MRXNPFEDSA-N 1 0 365.503 1.376 20 10 FDCDRO CC[C@@H](CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC000908459175 855442997 /nfs/dbraw/zinc/44/29/97/855442997.db2.gz ABPTTYYDGVHPDE-DLBZAZTESA-N 1 0 357.520 1.700 20 10 FDCDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCCCSc1nccs1 ZINC000911055387 858053234 /nfs/dbraw/zinc/05/32/34/858053234.db2.gz OHESQQKENBKTHA-ABAIWWIYSA-N 1 0 354.501 1.081 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911055876 858054123 /nfs/dbraw/zinc/05/41/23/858054123.db2.gz QGUQOAOUSXEWRB-HNNXBMFYSA-N 1 0 354.501 1.096 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000911187767 858264448 /nfs/dbraw/zinc/26/44/48/858264448.db2.gz QDMFUMFJDFMQDD-CABCVRRESA-N 1 0 374.485 1.024 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000911373851 858566395 /nfs/dbraw/zinc/56/63/95/858566395.db2.gz BEPDTXAZDKJKMD-RHSMWYFYSA-N 1 0 359.470 1.778 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000911547061 858747975 /nfs/dbraw/zinc/74/79/75/858747975.db2.gz UVOWXMZPVKQYBJ-FHLIZLRMSA-N 1 0 356.470 1.253 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncc(Br)cn2)cc1 ZINC000911665453 858878126 /nfs/dbraw/zinc/87/81/26/858878126.db2.gz CIMMOAUKBBGCBY-ZDUSSCGKSA-N 1 0 364.247 1.735 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCO[C@@H]3CCOC3)cc2)CC1 ZINC000924006592 877860473 /nfs/dbraw/zinc/86/04/73/877860473.db2.gz JTEFUOBAWDEJHJ-GOSISDBHSA-N 1 0 362.474 1.043 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000922821634 879418738 /nfs/dbraw/zinc/41/87/38/879418738.db2.gz CNHCFSSOJMBEDR-LBPRGKRZSA-N 1 0 354.394 1.267 20 10 FDCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000917678424 883682017 /nfs/dbraw/zinc/68/20/17/883682017.db2.gz WGDOJZJZKWKNKA-UHFFFAOYSA-N 1 0 366.437 1.273 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1C ZINC001034736042 884929320 /nfs/dbraw/zinc/92/93/20/884929320.db2.gz RPKBJYZHAHWOIO-VQHPVUNQSA-N 1 0 359.470 1.642 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCc4nn[nH]c43)cc2)CC1 ZINC000918847050 884967082 /nfs/dbraw/zinc/96/70/82/884967082.db2.gz XBWHANKDGXIXHR-INIZCTEOSA-N 1 0 354.458 1.293 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC000923454419 889316801 /nfs/dbraw/zinc/31/68/01/889316801.db2.gz OSNRRRDAOBOUTM-QFBILLFUSA-N 1 0 358.486 1.028 20 10 FDCDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000182328299 892557179 /nfs/dbraw/zinc/55/71/79/892557179.db2.gz HNWBLFAXMORXFO-OALUTQOASA-N 1 0 361.486 1.891 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=CCOCC3)CC2)cc1 ZINC000184198721 897342568 /nfs/dbraw/zinc/34/25/68/897342568.db2.gz VUZCGFUMDWDOCZ-UHFFFAOYSA-N 1 0 359.470 1.670 20 10 FDCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000763669822 897386155 /nfs/dbraw/zinc/38/61/55/897386155.db2.gz CNJFWVUGFOUWPJ-INIZCTEOSA-N 1 0 351.516 1.305 20 10 FDCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765246055 906598795 /nfs/dbraw/zinc/59/87/95/906598795.db2.gz ROYVQNWVPKMXKY-UHFFFAOYSA-N 1 0 364.467 1.951 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)cc1C ZINC001082416130 907651346 /nfs/dbraw/zinc/65/13/46/907651346.db2.gz NYEVRCXTMXEFMY-CZUORRHYSA-N 1 0 356.426 1.750 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3cocn3)cc2F)CC1 ZINC000730830771 917331182 /nfs/dbraw/zinc/33/11/82/917331182.db2.gz SCOIVLSSKYQTTF-UHFFFAOYSA-N 1 0 361.421 1.955 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732274724 919291747 /nfs/dbraw/zinc/29/17/47/919291747.db2.gz NBFIOHCFGRCDLO-WMZOPIPTSA-N 1 0 358.486 1.489 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734285333 923181936 /nfs/dbraw/zinc/18/19/36/923181936.db2.gz KFGYCRINPWSESG-QGZVFWFLSA-N 1 0 358.486 1.901 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)n2)cc1C ZINC001085362278 924253824 /nfs/dbraw/zinc/25/38/24/924253824.db2.gz SZMUPYZPXWKWNK-HZPDHXFCSA-N 1 0 357.458 1.963 20 10 FDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)N[C@@H](C)COC)cc1 ZINC000741678776 925821816 /nfs/dbraw/zinc/82/18/16/925821816.db2.gz YMJZMPFVTPJFPV-HNNXBMFYSA-N 1 0 364.490 1.825 20 10 FDCDRO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769823714 929686440 /nfs/dbraw/zinc/68/64/40/929686440.db2.gz NCWFCOWLCXCGBE-CYBMUJFWSA-N 1 0 353.444 1.072 20 10 FDCDRO CCOc1ccc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 ZINC000770282314 929945298 /nfs/dbraw/zinc/94/52/98/929945298.db2.gz SXMYEAPABATZOL-AWEZNQCLSA-N 1 0 368.441 1.939 20 10 FDCDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000771807869 930920030 /nfs/dbraw/zinc/92/00/30/930920030.db2.gz MLERQHDIFRDJMG-SFHVURJKSA-N 1 0 364.401 1.761 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000771812359 930921454 /nfs/dbraw/zinc/92/14/54/930921454.db2.gz HMYOAHYIVDLIJY-ZIFCJYIRSA-N 1 0 363.502 1.193 20 10 FDCDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000772602524 931396196 /nfs/dbraw/zinc/39/61/96/931396196.db2.gz ZSFNUIJSWJDXFS-QGZVFWFLSA-N 1 0 367.515 1.284 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000790280645 933444338 /nfs/dbraw/zinc/44/43/38/933444338.db2.gz VWVGGCXFFXHDLH-MJGOQNOKSA-N 1 0 370.497 1.428 20 10 FDCDRO O=C(CC1OCCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793759596 934249984 /nfs/dbraw/zinc/24/99/84/934249984.db2.gz INQDVGCVLMFPNZ-UHFFFAOYSA-N 1 0 373.497 1.988 20 10 FDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000793797195 934278370 /nfs/dbraw/zinc/27/83/70/934278370.db2.gz YWBKASDOISMRBJ-OAHLLOKOSA-N 1 0 360.502 1.532 20 10 FDCDRO COc1ccc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c(O)c1 ZINC000794379236 938395996 /nfs/dbraw/zinc/39/59/96/938395996.db2.gz JUMSHEVZDYYYJN-UHFFFAOYSA-N 1 0 370.453 1.624 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000806170400 938898732 /nfs/dbraw/zinc/89/87/32/938898732.db2.gz RYCRHCUETZQKDV-QWHCGFSZSA-N 1 0 357.476 1.322 20 10 FDCDRO CN(C(=O)C(=O)NCCCSc1nccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000806277343 939877189 /nfs/dbraw/zinc/87/71/89/939877189.db2.gz YWQMCWVEKUGJEK-CYBMUJFWSA-N 1 0 368.528 1.437 20 10 FDCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806281408 939880221 /nfs/dbraw/zinc/88/02/21/939880221.db2.gz XNQLTAPKPUWKRB-CHWSQXEVSA-N 1 0 370.544 1.731 20 10 FDCDRO C[NH+](C)C1(CNC(=O)C(=O)NCCCSc2nccs2)CCC1 ZINC000807025971 940219462 /nfs/dbraw/zinc/21/94/62/940219462.db2.gz GFGXYACZRVGSOX-UHFFFAOYSA-N 1 0 356.517 1.342 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000807095730 940247629 /nfs/dbraw/zinc/24/76/29/940247629.db2.gz QNNZACDVLILDBG-UHFFFAOYSA-N 1 0 374.529 1.868 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](C(C)(C)CO)CC2)cc1 ZINC000747840136 941341069 /nfs/dbraw/zinc/34/10/69/941341069.db2.gz KVFUIFNAMQFKJB-UHFFFAOYSA-N 1 0 362.518 1.100 20 10 FDCDRO CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000813700595 941452708 /nfs/dbraw/zinc/45/27/08/941452708.db2.gz CRMUGQCXJWOAPJ-HNNXBMFYSA-N 1 0 373.501 1.152 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000813857486 941481821 /nfs/dbraw/zinc/48/18/21/941481821.db2.gz VFAFUELKPFQZQC-SFHVURJKSA-N 1 0 360.502 1.464 20 10 FDCDRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816555328 942260539 /nfs/dbraw/zinc/26/05/39/942260539.db2.gz AZRGVFVRFWMMJY-UHFFFAOYSA-N 1 0 361.423 1.743 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000775649666 970906328 /nfs/dbraw/zinc/90/63/28/970906328.db2.gz MRLORPIVLJTFPB-LJQANCHMSA-N 1 0 363.527 1.590 20 10 FDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000817164173 942600467 /nfs/dbraw/zinc/60/04/67/942600467.db2.gz MIGMFRMSRJPSNY-VURMDHGXSA-N 1 0 361.442 1.219 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000817763964 942956192 /nfs/dbraw/zinc/95/61/92/942956192.db2.gz LJVMMEKRSPZYRK-LJQANCHMSA-N 1 0 372.513 1.796 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)c1ccc(N(C)C)cc1 ZINC000817834219 942996349 /nfs/dbraw/zinc/99/63/49/942996349.db2.gz ZZRUUXOOFDARBX-AWEZNQCLSA-N 1 0 365.437 1.894 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000817830457 943038598 /nfs/dbraw/zinc/03/85/98/943038598.db2.gz AJYVIIGTTZVJDC-IBGZPJMESA-N 1 0 370.497 1.620 20 10 FDCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000817895011 943068828 /nfs/dbraw/zinc/06/88/28/943068828.db2.gz SPMUBTHSINYGQI-MSOLQXFVSA-N 1 0 370.476 1.912 20 10 FDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817914928 943076050 /nfs/dbraw/zinc/07/60/50/943076050.db2.gz CMVNZMMXLFKCRJ-GJZGRUSLSA-N 1 0 371.437 1.710 20 10 FDCDRO C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@H]1C[NH3+] ZINC000817926906 943082437 /nfs/dbraw/zinc/08/24/37/943082437.db2.gz WCJRYORRPDBHGB-DOTOQJQBSA-N 1 0 372.513 1.687 20 10 FDCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943835 943090162 /nfs/dbraw/zinc/09/01/62/943090162.db2.gz VVARFSHVWDMLCW-FZKQIMNGSA-N 1 0 362.499 1.751 20 10 FDCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818361653 943243330 /nfs/dbraw/zinc/24/33/30/943243330.db2.gz MIHHZBFQUANNGV-BLLLJJGKSA-N 1 0 365.861 1.975 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818656013 943319748 /nfs/dbraw/zinc/31/97/48/943319748.db2.gz UYJNTIQYCQPVHY-CJNGLKHVSA-N 1 0 368.428 1.818 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1F ZINC000818985600 943372062 /nfs/dbraw/zinc/37/20/62/943372062.db2.gz WBIMCQXDFAOUOL-UHFFFAOYSA-N 1 0 374.478 1.738 20 10 FDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000818967969 943385768 /nfs/dbraw/zinc/38/57/68/943385768.db2.gz HEIZOOKCSVXWNL-BBRMVZONSA-N 1 0 359.392 1.791 20 10 FDCDRO CN1CC[NH+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164592 943456630 /nfs/dbraw/zinc/45/66/30/943456630.db2.gz KQNPJYMXCHTEFA-UHFFFAOYSA-N 1 0 360.458 1.184 20 10 FDCDRO CSC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC[NH+](C)CC1 ZINC000819169338 943459366 /nfs/dbraw/zinc/45/93/66/943459366.db2.gz GNGGXXDLCWILMS-UHFFFAOYSA-N 1 0 363.483 1.984 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000819356496 943540583 /nfs/dbraw/zinc/54/05/83/943540583.db2.gz FFQYDDMCJLPGLW-CUWPLCDZSA-N 1 0 359.514 1.814 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3CCCC3(F)F)CC2)cc1 ZINC000819314345 943545913 /nfs/dbraw/zinc/54/59/13/943545913.db2.gz YKIXRXSIQLFRLH-AEFFLSMTSA-N 1 0 369.456 1.956 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](c3ccncc3)C1)cc2=O ZINC000821269078 944405511 /nfs/dbraw/zinc/40/55/11/944405511.db2.gz CLNASXYWFMALRE-AWEZNQCLSA-N 1 0 367.409 1.996 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\[C@@H]3CCOC3)CC2)cc1 ZINC000822238053 944907743 /nfs/dbraw/zinc/90/77/43/944907743.db2.gz RBUMHFASYXGKEO-FMYZQTRCSA-N 1 0 373.497 1.916 20 10 FDCDRO COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)C[NH3+])n3)CC2)cc1 ZINC000823048191 945408705 /nfs/dbraw/zinc/40/87/05/945408705.db2.gz QOYHACSTYLTDAN-CYBMUJFWSA-N 1 0 359.430 1.032 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C2)cc1 ZINC000824688859 946691069 /nfs/dbraw/zinc/69/10/69/946691069.db2.gz ZQAKHWXOAUOTNE-KXBFYZLASA-N 1 0 364.490 1.133 20 10 FDCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2c(=O)[nH]n(C)c2n1 ZINC000844163245 947807636 /nfs/dbraw/zinc/80/76/36/947807636.db2.gz WGVBUMNMXOAKDL-OAHLLOKOSA-N 1 0 368.441 1.478 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000844167101 947810070 /nfs/dbraw/zinc/81/00/70/947810070.db2.gz PERDLMHAOJXQSV-MRXNPFEDSA-N 1 0 353.413 1.726 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000844173801 947815464 /nfs/dbraw/zinc/81/54/64/947815464.db2.gz YFDRIJLSLRHXNB-CQSZACIVSA-N 1 0 371.403 1.648 20 10 FDCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844187267 947823939 /nfs/dbraw/zinc/82/39/39/947823939.db2.gz DVFOFUVKOMSDSX-FWYOQMDTSA-N 1 0 351.397 1.838 20 10 FDCDRO CCC(CC)(C[NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000844191613 947830812 /nfs/dbraw/zinc/83/08/12/947830812.db2.gz ZHFVFHLGNKREOD-UHFFFAOYSA-N 1 0 362.518 1.699 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCN2Cc2ccccn2)cc1 ZINC000844162909 947841523 /nfs/dbraw/zinc/84/15/23/947841523.db2.gz ORPQBTNZFKBFFS-UXHICEINSA-N 1 0 367.497 1.928 20 10 FDCDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000844375798 948035473 /nfs/dbraw/zinc/03/54/73/948035473.db2.gz UVSZUJMUVHVTNJ-RISCZKNCSA-N 1 0 350.419 1.498 20 10 FDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000846032504 950381597 /nfs/dbraw/zinc/38/15/97/950381597.db2.gz FEPORBQZPDUUHI-OAHLLOKOSA-N 1 0 353.488 1.288 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1O ZINC000846143839 950625388 /nfs/dbraw/zinc/62/53/88/950625388.db2.gz ACLVFGUXUALTAP-LLVKDONJSA-N 1 0 355.416 1.159 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000846697931 951467448 /nfs/dbraw/zinc/46/74/48/951467448.db2.gz YYPSNRDYENJGCK-UHFFFAOYSA-N 1 0 372.473 1.420 20 10 FDCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001148581711 952757124 /nfs/dbraw/zinc/75/71/24/952757124.db2.gz SAZOYMBUBGDGMF-UHFFFAOYSA-N 1 0 364.442 1.768 20 10 FDCDRO COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775739527 971864939 /nfs/dbraw/zinc/86/49/39/971864939.db2.gz FLAMCCRZHPDSHU-LJQANCHMSA-N 1 0 363.502 1.837 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC2)c(OC)c1 ZINC001173767551 962661635 /nfs/dbraw/zinc/66/16/35/962661635.db2.gz IPYJMYZGUXAYBP-CVEARBPZSA-N 1 0 372.473 1.996 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC2)c(OC)c1 ZINC001173767555 962661804 /nfs/dbraw/zinc/66/18/04/962661804.db2.gz IPYJMYZGUXAYBP-HZPDHXFCSA-N 1 0 372.473 1.996 20 10 FDCDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001177702872 963942879 /nfs/dbraw/zinc/94/28/79/963942879.db2.gz QLEVJPZKSLVHPM-UHFFFAOYSA-N 1 0 362.493 1.926 20 10 FDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)n2c(C)ncc(C[NH3+])c2=N)c1 ZINC001186850820 964771726 /nfs/dbraw/zinc/77/17/26/964771726.db2.gz YOSHTXSNVPQYHP-UHFFFAOYSA-N 1 0 351.410 1.931 20 10 FDCDRO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179484709 964884718 /nfs/dbraw/zinc/88/47/18/964884718.db2.gz PIVKXADTHSXSJF-GOSISDBHSA-N 1 0 350.459 1.515 20 10 FDCDRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179484710 964885695 /nfs/dbraw/zinc/88/56/95/964885695.db2.gz PIVKXADTHSXSJF-SFHVURJKSA-N 1 0 350.459 1.515 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852186511 967070034 /nfs/dbraw/zinc/07/00/34/967070034.db2.gz GGVGBEHTQRQBHX-INIZCTEOSA-N 1 0 358.486 1.684 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)CC2)cc1 ZINC000852532890 967402619 /nfs/dbraw/zinc/40/26/19/967402619.db2.gz RMNMZBQPLSDTJM-OXJNMPFZSA-N 1 0 359.470 1.312 20 10 FDCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852698994 967542988 /nfs/dbraw/zinc/54/29/88/967542988.db2.gz WLWJVFFBBPQNJD-KRWDZBQOSA-N 1 0 360.502 1.605 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000852834934 967645425 /nfs/dbraw/zinc/64/54/25/967645425.db2.gz DSFFROCTHMPJAE-CQSZACIVSA-N 1 0 357.458 1.704 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn(CCCC[NH3+])nn3)C2)cc1 ZINC000852843924 967650520 /nfs/dbraw/zinc/65/05/20/967650520.db2.gz JYZDCKFSPVBUDD-CQSZACIVSA-N 1 0 358.446 1.034 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)cc1 ZINC000852844766 967651569 /nfs/dbraw/zinc/65/15/69/967651569.db2.gz ZNGVWWINTCMCHW-SJLPKXTDSA-N 1 0 369.469 1.825 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000852844737 967651641 /nfs/dbraw/zinc/65/16/41/967651641.db2.gz ZHELTHOAVQPUMV-MUMXORNYSA-N 1 0 373.497 1.923 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C=C1CC[NH2+]CC1 ZINC000852883453 967687272 /nfs/dbraw/zinc/68/72/72/967687272.db2.gz FGYAGEUEIBOEBJ-UHFFFAOYSA-N 1 0 352.818 1.857 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000852889267 967692429 /nfs/dbraw/zinc/69/24/29/967692429.db2.gz GQJOETYCCMPUGL-GOSISDBHSA-N 1 0 358.486 1.359 20 10 FDCDRO Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cs2)cc1 ZINC000852914068 967703090 /nfs/dbraw/zinc/70/30/90/967703090.db2.gz LZXJXTUTUFLZLM-MRXNPFEDSA-N 1 0 371.510 1.436 20 10 FDCDRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775371258 967739621 /nfs/dbraw/zinc/73/96/21/967739621.db2.gz WBWLHSLHYFSJBD-LBPRGKRZSA-N 1 0 350.415 1.463 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cncc(O)c3)cc2F)CC1 ZINC000111615540 968341011 /nfs/dbraw/zinc/34/10/11/968341011.db2.gz VHSLRCYNFQOYRT-UHFFFAOYSA-N 1 0 358.417 1.998 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cn(C)c(=O)[nH]3)CC2)cc1 ZINC000854309542 968763613 /nfs/dbraw/zinc/76/36/13/968763613.db2.gz LBLNEWMLVJERPG-UHFFFAOYSA-N 1 0 373.457 1.076 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000855161294 970189140 /nfs/dbraw/zinc/18/91/40/970189140.db2.gz NPHOSFHADAUJQA-GFCCVEGCSA-N 1 0 369.487 1.614 20 10 FDCDRO C[C@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)C3)cc2F)C[C@H](C)O1 ZINC000113503406 970551751 /nfs/dbraw/zinc/55/17/51/970551751.db2.gz UMVYAHCXVYWQMX-DZKIICNBSA-N 1 0 365.449 1.122 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000863968574 973338545 /nfs/dbraw/zinc/33/85/45/973338545.db2.gz KRSIXXGVQKLORE-SFHVURJKSA-N 1 0 364.486 1.500 20 10 FDCDRO C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000847098136 975329716 /nfs/dbraw/zinc/32/97/16/975329716.db2.gz ODSQYTQSQPWHQG-CQSZACIVSA-N 1 0 365.449 1.124 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000866457725 975673299 /nfs/dbraw/zinc/67/32/99/975673299.db2.gz SZIICIIOKNYVIH-VIFPVBQESA-N 1 0 351.266 1.745 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000848230444 976511845 /nfs/dbraw/zinc/51/18/45/976511845.db2.gz YVVIREVSLKFQBV-INIZCTEOSA-N 1 0 371.485 1.710 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000848230445 976512232 /nfs/dbraw/zinc/51/22/32/976512232.db2.gz YVVIREVSLKFQBV-MRXNPFEDSA-N 1 0 371.485 1.710 20 10 FDCDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000848594408 976931776 /nfs/dbraw/zinc/93/17/76/976931776.db2.gz BMWSKQPLOMBPFM-FZMZJTMJSA-N 1 0 360.380 1.773 20 10 FDCDRO C[C@@H]1C[NH+]=C(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)N1 ZINC000849050496 977293835 /nfs/dbraw/zinc/29/38/35/977293835.db2.gz UNNZCNSWMMRXFM-CQSZACIVSA-N 1 0 369.448 1.380 20 10 FDCDRO CCCNC(=[NH2+])NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000849063737 977299815 /nfs/dbraw/zinc/29/98/15/977299815.db2.gz QDIJUZGTUQVAQX-UHFFFAOYSA-N 1 0 371.464 1.966 20 10 FDCDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(Cc1ccco1)Cc1ccccc1O ZINC000868355769 977524038 /nfs/dbraw/zinc/52/40/38/977524038.db2.gz NUCOTWNBVCAFJA-GJZGRUSLSA-N 1 0 355.394 1.087 20 10 FDCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850506066 978406408 /nfs/dbraw/zinc/40/64/08/978406408.db2.gz DXJDYNACXQBOQZ-DNVCBOLYSA-N 1 0 363.527 1.494 20 10 FDCDRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Br)ccc1O ZINC000850510950 978411716 /nfs/dbraw/zinc/41/17/16/978411716.db2.gz YPSGMYIOWUHWKO-ABAIWWIYSA-N 1 0 360.248 1.973 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@H]3CC[C@@H]3C)CC2)cc1 ZINC000850519993 978415053 /nfs/dbraw/zinc/41/50/53/978415053.db2.gz SOXLAWSPULXEJI-YJBOKZPZSA-N 1 0 367.515 1.535 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850803738 978677444 /nfs/dbraw/zinc/67/74/44/978677444.db2.gz SKGRJZNCVBOXDH-SFHVURJKSA-N 1 0 369.421 1.650 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C3([NH3+])Cc4ccccc4C3)C2)cc1 ZINC000851640478 978981873 /nfs/dbraw/zinc/98/18/73/978981873.db2.gz VXFFPZYKZYXRQM-KRWDZBQOSA-N 1 0 351.450 1.886 20 10 FDCDRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000851654462 978985492 /nfs/dbraw/zinc/98/54/92/978985492.db2.gz CMJXYNDIIBSXIQ-UHFFFAOYSA-N 1 0 352.454 1.666 20 10 FDCDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682376 978995990 /nfs/dbraw/zinc/99/59/90/978995990.db2.gz VZAKOKQZSQFDCQ-SFHVURJKSA-N 1 0 360.502 1.931 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1 ZINC000851732683 979020280 /nfs/dbraw/zinc/02/02/80/979020280.db2.gz ANLBZDWYRWTEMR-OAQYLSRUSA-N 1 0 369.465 1.580 20 10 FDCDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C ZINC000880608643 979350809 /nfs/dbraw/zinc/35/08/09/979350809.db2.gz GNACCODDDORAAI-TXEJJXNPSA-N 1 0 355.460 1.318 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(CCC[NH3+])nn2)c(C)n1-c1ccc(F)cn1 ZINC000881357000 979872864 /nfs/dbraw/zinc/87/28/64/979872864.db2.gz NPWINVXWJSBGMR-UHFFFAOYSA-N 1 0 356.405 1.994 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3ccccc3=O)cc2)CC1 ZINC000881849610 980210098 /nfs/dbraw/zinc/21/00/98/980210098.db2.gz GOFKDCDEZKUEPF-UHFFFAOYSA-N 1 0 354.454 1.307 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOC[C@@H]3CCCO3)cc2)CC1 ZINC000881850554 980211760 /nfs/dbraw/zinc/21/17/60/980211760.db2.gz YCXPCHOXZDXHAR-IBGZPJMESA-N 1 0 361.486 1.640 20 10 FDCDRO COCCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000881851845 980214538 /nfs/dbraw/zinc/21/45/38/980214538.db2.gz BPAPHQKXWXFGEQ-UHFFFAOYSA-N 1 0 371.485 1.520 20 10 FDCDRO COCc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881852045 980215175 /nfs/dbraw/zinc/21/51/75/980215175.db2.gz VTRAMNTUCYXCLT-UHFFFAOYSA-N 1 0 360.483 1.971 20 10 FDCDRO CC(=O)N[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000881852894 980216106 /nfs/dbraw/zinc/21/61/06/980216106.db2.gz FHCZNIHZJWLADF-GOSISDBHSA-N 1 0 360.502 1.605 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncn(C(C)(C)C)n3)cc2)CC1 ZINC000881852935 980216300 /nfs/dbraw/zinc/21/63/00/980216300.db2.gz GTXBENPFLZTIEP-UHFFFAOYSA-N 1 0 356.474 1.715 20 10 FDCDRO C[C@@H](Oc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852771 980216436 /nfs/dbraw/zinc/21/64/36/980216436.db2.gz DGOGNNBXWKLVSG-MRXNPFEDSA-N 1 0 354.454 1.917 20 10 FDCDRO C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000881853478 980217101 /nfs/dbraw/zinc/21/71/01/980217101.db2.gz XTBWEQSBIKFFMV-INIZCTEOSA-N 1 0 355.486 1.982 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4cncn4C3)cc2)CC1 ZINC000881853533 980217287 /nfs/dbraw/zinc/21/72/87/980217287.db2.gz ZCSRBJHSQOKSNH-KRWDZBQOSA-N 1 0 353.470 1.514 20 10 FDCDRO Cc1ccn(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)c1 ZINC000881853948 980218464 /nfs/dbraw/zinc/21/84/64/980218464.db2.gz PEIGWHIRTCJNIN-UHFFFAOYSA-N 1 0 354.454 1.225 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccccc3C=O)cc2)CC1 ZINC000882664349 980804694 /nfs/dbraw/zinc/80/46/94/980804694.db2.gz UYUIIKMAAILIGD-UHFFFAOYSA-N 1 0 373.478 1.729 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3S(N)(=O)=O)cc2)CC1 ZINC000882879766 981770462 /nfs/dbraw/zinc/77/04/62/981770462.db2.gz LJNGYQKGFXFNOL-UHFFFAOYSA-N 1 0 360.483 1.698 20 10 FDCDRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2c(O)cccc2Br)C1 ZINC000858127239 981846787 /nfs/dbraw/zinc/84/67/87/981846787.db2.gz VMIGGXLDZXKXIX-GFCCVEGCSA-N 1 0 370.291 1.832 20 10 FDCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Br)C2=O)cn1 ZINC000858142343 981859641 /nfs/dbraw/zinc/85/96/41/981859641.db2.gz ZCCUUDZRVCCVIJ-CYBMUJFWSA-N 1 0 365.231 1.783 20 10 FDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1O ZINC000883371438 982099675 /nfs/dbraw/zinc/09/96/75/982099675.db2.gz KCMGGFDDAWVCFR-DLBZAZTESA-N 1 0 363.502 1.848 20 10 FDCDRO CC(C)c1nnc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000883720400 982414715 /nfs/dbraw/zinc/41/47/15/982414715.db2.gz MRJOWISXGSENEB-UHFFFAOYSA-N 1 0 371.489 1.679 20 10 FDCDRO Cc1cncc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883777538 982463100 /nfs/dbraw/zinc/46/31/00/982463100.db2.gz BHCMGIYLYUGGSC-UHFFFAOYSA-N 1 0 368.485 1.579 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000883797157 982476002 /nfs/dbraw/zinc/47/60/02/982476002.db2.gz UOXKVUKLBWSFSF-PKOBYXMFSA-N 1 0 358.486 1.805 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000859825499 983036601 /nfs/dbraw/zinc/03/66/01/983036601.db2.gz YCYXNQIWRKYDGR-QOIOWGMHSA-N 1 0 361.486 1.745 20 10 FDCDRO CS(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796276134 1014920488 /nfs/dbraw/zinc/92/04/88/1014920488.db2.gz JSISSHSVMPMFEI-UHFFFAOYSA-N 1 0 359.495 1.888 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884531256 983222670 /nfs/dbraw/zinc/22/26/70/983222670.db2.gz HODXACLQCOREKF-MRXNPFEDSA-N 1 0 360.502 1.572 20 10 FDCDRO CO[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCS(=O)(=O)C1 ZINC000721233317 1014927836 /nfs/dbraw/zinc/92/78/36/1014927836.db2.gz CBMJDJNKRURWJY-CYBMUJFWSA-N 1 0 364.261 1.448 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000884633325 983299500 /nfs/dbraw/zinc/29/95/00/983299500.db2.gz COUKNYHHAMSQRP-GXTWGEPZSA-N 1 0 368.428 1.291 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884637889 983304269 /nfs/dbraw/zinc/30/42/69/983304269.db2.gz FOIZYQUXTQXQGN-ROUUACIJSA-N 1 0 356.470 1.256 20 10 FDCDRO COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000861491429 983745910 /nfs/dbraw/zinc/74/59/10/983745910.db2.gz PWKYGVDDKKURJM-UHFFFAOYSA-N 1 0 371.393 1.138 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861744749 983891293 /nfs/dbraw/zinc/89/12/93/983891293.db2.gz ZDBOTZLGBRGMJJ-NSHDSACASA-N 1 0 354.501 1.142 20 10 FDCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1F ZINC000862364893 984359794 /nfs/dbraw/zinc/35/97/94/984359794.db2.gz IVTWNBFOQSAXIP-KZULUSFZSA-N 1 0 366.412 1.983 20 10 FDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862549875 984409131 /nfs/dbraw/zinc/40/91/31/984409131.db2.gz AHQZGJOKGPGRAA-SNVBAGLBSA-N 1 0 350.843 1.946 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000884654964 984661917 /nfs/dbraw/zinc/66/19/17/984661917.db2.gz KRAMIJPYAVFJBI-WMZOPIPTSA-N 1 0 356.470 1.112 20 10 FDCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000884655398 984662020 /nfs/dbraw/zinc/66/20/20/984662020.db2.gz XCYCZKKVWQUWAH-NVXWUHKLSA-N 1 0 358.486 1.487 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1 ZINC000886285982 986025356 /nfs/dbraw/zinc/02/53/56/986025356.db2.gz YCUOEQYKGAOZCR-UHFFFAOYSA-N 1 0 354.458 1.607 20 10 FDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324939 986072811 /nfs/dbraw/zinc/07/28/11/986072811.db2.gz MSFDHWYQBANXMG-UHFFFAOYSA-N 1 0 356.474 1.598 20 10 FDCDRO COc1c(O)c(C[N@@H+]2CCCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000365824237 988116255 /nfs/dbraw/zinc/11/62/55/988116255.db2.gz MRAQWAKKKSRMFD-UHFFFAOYSA-N 1 0 359.386 1.811 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNCc3nccnc3OC)CC2)cc1 ZINC000294679831 988528055 /nfs/dbraw/zinc/52/80/55/988528055.db2.gz FADSBKTTXBJREP-UHFFFAOYSA-N 1 0 371.485 1.796 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1Cn1cccn1 ZINC000873133790 988596867 /nfs/dbraw/zinc/59/68/67/988596867.db2.gz KFLVEFUAJBZPAW-INIZCTEOSA-N 1 0 364.471 1.064 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000008375957 988755226 /nfs/dbraw/zinc/75/52/26/988755226.db2.gz VGFRJJYPRXSSFB-UHFFFAOYSA-N 1 0 374.445 1.961 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000295798390 988768701 /nfs/dbraw/zinc/76/87/01/988768701.db2.gz ZXVMHPIRZYVRJM-KRWDZBQOSA-N 1 0 374.529 1.982 20 10 FDCDRO Oc1cccc2c1[C@@H]([NH2+]CCCN1CCN(c3ncccn3)CC1)CC2 ZINC000295955032 988852763 /nfs/dbraw/zinc/85/27/63/988852763.db2.gz LUQCQGDUEZJZCM-KRWDZBQOSA-N 1 0 353.470 1.971 20 10 FDCDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000367472726 988953270 /nfs/dbraw/zinc/95/32/70/988953270.db2.gz ULPFETAZOSQRJP-NRFANRHFSA-N 1 0 358.530 1.735 20 10 FDCDRO CN1CCc2cc(CNC(=O)NCCN3CCC([NH+](C)C)CC3)ccc21 ZINC000368809782 989009625 /nfs/dbraw/zinc/00/96/25/989009625.db2.gz KNUDVLOGILFQRQ-UHFFFAOYSA-N 1 0 359.518 1.504 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc21 ZINC000369031791 989021203 /nfs/dbraw/zinc/02/12/03/989021203.db2.gz XIQIFLLVNHQDCO-ROUUACIJSA-N 1 0 358.486 1.731 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCO[C@H]3CCC[C@H]31)cc2=O ZINC000369465937 989053572 /nfs/dbraw/zinc/05/35/72/989053572.db2.gz IIGRGESHTLRPDE-CABCVRRESA-N 1 0 360.414 1.755 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000297792585 989695414 /nfs/dbraw/zinc/69/54/14/989695414.db2.gz KOUHWUQZERJYOO-SJLPKXTDSA-N 1 0 358.486 1.264 20 10 FDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000874111448 989759056 /nfs/dbraw/zinc/75/90/56/989759056.db2.gz NZIPQMAGMZMUDM-SJORKVTESA-N 1 0 358.486 1.346 20 10 FDCDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000874835247 990559274 /nfs/dbraw/zinc/55/92/74/990559274.db2.gz XSEMLFCZYDILFJ-KBPBESRZSA-N 1 0 353.444 1.072 20 10 FDCDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000875006199 990717385 /nfs/dbraw/zinc/71/73/85/990717385.db2.gz HFXFRSVMPWRPJR-UHFFFAOYSA-N 1 0 360.502 1.702 20 10 FDCDRO Cn1ccc(N2CC[C@H]([N@H+](C)Cc3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000372254247 990981578 /nfs/dbraw/zinc/98/15/78/990981578.db2.gz DURSLHXXNYWYBK-SFHVURJKSA-N 1 0 369.469 1.494 20 10 FDCDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876720522 992831905 /nfs/dbraw/zinc/83/19/05/992831905.db2.gz JWXYEKRMQGGPSJ-INIZCTEOSA-N 1 0 367.515 1.148 20 10 FDCDRO COc1cccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000876726940 992839624 /nfs/dbraw/zinc/83/96/24/992839624.db2.gz SBJRIJQTSMIXKU-LJQANCHMSA-N 1 0 355.438 1.848 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876730865 992845324 /nfs/dbraw/zinc/84/53/24/992845324.db2.gz MYZLOWLLEJFREU-QUCCMNQESA-N 1 0 361.461 1.935 20 10 FDCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000876732174 992846523 /nfs/dbraw/zinc/84/65/23/992846523.db2.gz XUGCZTYKPCVACG-KDOFPFPSSA-N 1 0 351.422 1.046 20 10 FDCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000876732176 992846939 /nfs/dbraw/zinc/84/69/39/992846939.db2.gz XUGCZTYKPCVACG-RDTXWAMCSA-N 1 0 351.422 1.046 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000876980893 992994848 /nfs/dbraw/zinc/99/48/48/992994848.db2.gz ORJYEWMVIKMPIL-QZTJIDSGSA-N 1 0 374.529 1.854 20 10 FDCDRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877049046 993029876 /nfs/dbraw/zinc/02/98/76/993029876.db2.gz SQPJQNVENRPLRJ-UHFFFAOYSA-N 1 0 364.467 1.915 20 10 FDCDRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877050422 993031145 /nfs/dbraw/zinc/03/11/45/993031145.db2.gz ZSKJJCQMGOADPL-UHFFFAOYSA-N 1 0 364.467 1.915 20 10 FDCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c(O)c1 ZINC000375518010 993209632 /nfs/dbraw/zinc/20/96/32/993209632.db2.gz DMJLZDMHGJTZBG-SJORKVTESA-N 1 0 358.442 1.615 20 10 FDCDRO O=c1cc(N2CCOCC2)cnn1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000375566410 993236815 /nfs/dbraw/zinc/23/68/15/993236815.db2.gz PCRBVDANVAKGOX-KRWDZBQOSA-N 1 0 370.453 1.623 20 10 FDCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877516413 993316029 /nfs/dbraw/zinc/31/60/29/993316029.db2.gz DYVATNRJXPBDPK-FXAWDEMLSA-N 1 0 359.514 1.943 20 10 FDCDRO O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(N4CCC(O)CC4)cc3)CC2)C1 ZINC000877641079 993400292 /nfs/dbraw/zinc/40/02/92/993400292.db2.gz VZTXRUQLJCBVDD-NRFANRHFSA-N 1 0 359.514 1.679 20 10 FDCDRO O=C(NCC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000877778342 993507701 /nfs/dbraw/zinc/50/77/01/993507701.db2.gz MSQHZBZBLJLRDG-UHFFFAOYSA-N 1 0 357.376 1.634 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000826035892 993904774 /nfs/dbraw/zinc/90/47/74/993904774.db2.gz NACPVICIGJJYPS-UHFFFAOYSA-N 1 0 356.474 1.889 20 10 FDCDRO CCC(=O)N1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000924004774 994317484 /nfs/dbraw/zinc/31/74/84/994317484.db2.gz ATSUFMOHKITCAZ-UHFFFAOYSA-N 1 0 359.474 1.160 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)c(OC)c1 ZINC000879461765 994928107 /nfs/dbraw/zinc/92/81/07/994928107.db2.gz MCGRNHJPCBEIOG-OAHLLOKOSA-N 1 0 350.459 1.492 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3CSC[C@@H]3C1)cc2=O ZINC000879562897 995011797 /nfs/dbraw/zinc/01/17/97/995011797.db2.gz NSSCZZIZXHZDAT-RYUDHWBXSA-N 1 0 362.455 1.797 20 10 FDCDRO CCCN1C(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[C@@H]1COC ZINC000925080527 995277954 /nfs/dbraw/zinc/27/79/54/995277954.db2.gz VPBWSNYGSQGFSK-SFHVURJKSA-N 1 0 374.485 1.628 20 10 FDCDRO C[C@@H]1CN(CCCN2C(=O)CN(Cc3ccccc3O)C2=O)C[C@H](C)O1 ZINC000925275064 995443987 /nfs/dbraw/zinc/44/39/87/995443987.db2.gz QAQDUDUGPKFNBW-GASCZTMLSA-N 1 0 361.442 1.656 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)cc1F ZINC000925330140 995500763 /nfs/dbraw/zinc/50/07/63/995500763.db2.gz RHPLFXUPDZXSLF-BBRMVZONSA-N 1 0 350.438 1.759 20 10 FDCDRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000265099273 997697386 /nfs/dbraw/zinc/69/73/86/997697386.db2.gz XDWAFLPOBDRIKR-KRWDZBQOSA-N 1 0 359.470 1.644 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1 ZINC000887775792 997775392 /nfs/dbraw/zinc/77/53/92/997775392.db2.gz KAKBDGTVRKKGOF-LPHOPBHVSA-N 1 0 361.486 1.749 20 10 FDCDRO Cc1nnc(CN(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000889661034 998510249 /nfs/dbraw/zinc/51/02/49/998510249.db2.gz OUZGRGCVIOAADH-UHFFFAOYSA-N 1 0 358.446 1.471 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CCO)c3ccco3)cc2)CC1 ZINC000889665435 998515206 /nfs/dbraw/zinc/51/52/06/998515206.db2.gz OIVMHXXBMOPSLF-GOSISDBHSA-N 1 0 372.469 1.954 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](O)CC(F)(F)C3)cc2)CC1 ZINC000889665306 998515254 /nfs/dbraw/zinc/51/52/54/998515254.db2.gz KXJKNLLQQQZXFV-MRXNPFEDSA-N 1 0 368.428 1.350 20 10 FDCDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666747 998516121 /nfs/dbraw/zinc/51/61/21/998516121.db2.gz PUXWCXRFZSAAAZ-IEBWSBKVSA-N 1 0 360.502 1.741 20 10 FDCDRO CC(=O)N1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000889666135 998516400 /nfs/dbraw/zinc/51/64/00/998516400.db2.gz FVXKLSNVYIFEEO-MRXNPFEDSA-N 1 0 373.501 1.201 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)c3cc[nH]c(=O)c3)CC2)cc1 ZINC000268490230 999441044 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357.813 1.355 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1C ZINC001022725182 782651436 /nfs/dbraw/zinc/65/14/36/782651436.db2.gz WJYWEAVWCZCRNP-VVLHAWIVSA-N 1 0 359.470 1.465 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3F)cc2)CC1 ZINC000891147286 773418737 /nfs/dbraw/zinc/41/87/37/773418737.db2.gz NQIZODVILWKEMK-UHFFFAOYSA-N 1 0 371.416 1.227 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)[NH+](C)C)cc1 ZINC000891246681 774090370 /nfs/dbraw/zinc/09/03/70/774090370.db2.gz DYMVDGDRJWHSPR-HNAYVOBHSA-N 1 0 355.486 2.000 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)[NH+](C)C)cc1 ZINC000891247056 774091620 /nfs/dbraw/zinc/09/16/20/774091620.db2.gz HAVGXEBIBAEAQQ-DOTOQJQBSA-N 1 0 356.474 1.710 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2nc(C3CC3)nn2C)[NH+](C)C)cc1 ZINC000891248277 774102472 /nfs/dbraw/zinc/10/24/72/774102472.db2.gz XKBCEONANUDPJM-KRWDZBQOSA-N 1 0 370.501 1.720 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)[NH+](C)C)cc1 ZINC000891250190 774120955 /nfs/dbraw/zinc/12/09/55/774120955.db2.gz VGUYYDCOOACOPE-DOTOQJQBSA-N 1 0 371.489 1.111 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)[NH+](C)C)cc1 ZINC000891250197 774121870 /nfs/dbraw/zinc/12/18/70/774121870.db2.gz VGUYYDCOOACOPE-WBVHZDCISA-N 1 0 371.489 1.111 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000891251521 774133883 /nfs/dbraw/zinc/13/38/83/774133883.db2.gz FURXYAJFOAFEHN-HNAYVOBHSA-N 1 0 355.486 2.000 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000891385443 776499273 /nfs/dbraw/zinc/49/92/73/776499273.db2.gz NHMZOXUASACNNV-OAHLLOKOSA-N 1 0 364.465 1.680 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000891397870 776820888 /nfs/dbraw/zinc/82/08/88/776820888.db2.gz WYJDCTSFRIVZMK-WMZOPIPTSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c1OC ZINC000891926063 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FDCDRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000378204012 793705874 /nfs/dbraw/zinc/70/58/74/793705874.db2.gz KFJAHLHHWROXIY-HXUWFJFHSA-N 1 0 352.482 1.916 20 10 FDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000378548477 794305533 /nfs/dbraw/zinc/30/55/33/794305533.db2.gz CVNDFSMBMNAARZ-GQCTYLIASA-N 1 0 373.453 1.314 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2=O)[NH+](C)C)cc1 ZINC000893417998 802603874 /nfs/dbraw/zinc/60/38/74/802603874.db2.gz FVZAYANVSYPKMG-IAGOWNOFSA-N 1 0 361.490 1.275 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423432571 815084486 /nfs/dbraw/zinc/08/44/86/815084486.db2.gz OOYITHDLHPSPQV-MRXNPFEDSA-N 1 0 355.442 1.913 20 10 FDCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000238171297 809560227 /nfs/dbraw/zinc/56/02/27/809560227.db2.gz NCQQXUVQOVUDJI-LJQANCHMSA-N 1 0 361.486 1.280 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@@H](O)COCC2CC2)c2cc(F)ccc2n1C ZINC000894221848 811375075 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FDCDRO COc1cc(C)cc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c1O ZINC000895206974 821855369 /nfs/dbraw/zinc/85/53/69/821855369.db2.gz NXYVKUKADSWHGT-UHFFFAOYSA-N 1 0 352.431 1.781 20 10 FDCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000895462205 822611510 /nfs/dbraw/zinc/61/15/10/822611510.db2.gz UMMKJANNTBYJGE-UHFFFAOYSA-N 1 0 364.467 1.950 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895494378 822624732 /nfs/dbraw/zinc/62/47/32/822624732.db2.gz FSDVDMDJXMMSQM-LJQANCHMSA-N 1 0 359.470 1.202 20 10 FDCDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813132 822756509 /nfs/dbraw/zinc/75/65/09/822756509.db2.gz DFLCVOROMPNNOF-YJBOKZPZSA-N 1 0 372.513 1.925 20 10 FDCDRO COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c(O)c1OC ZINC000896007831 823924025 /nfs/dbraw/zinc/92/40/25/823924025.db2.gz XGXIWDYNCZTMAA-UHFFFAOYSA-N 1 0 372.487 1.750 20 10 FDCDRO COc1cc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc(OC)c1OC ZINC000760087365 825011389 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/nfs/dbraw/zinc/38/17/73/879381773.db2.gz RKCSAJZVJILJNI-UHFFFAOYSA-N 1 0 368.428 1.695 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)COc3cccc(C=O)c3)cc2)CC1 ZINC000918860628 884974153 /nfs/dbraw/zinc/97/41/53/884974153.db2.gz AXLDWRKZSPODIA-UHFFFAOYSA-N 1 0 367.449 1.946 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/COC3CCOCC3)cc2)CC1 ZINC000918905688 885002693 /nfs/dbraw/zinc/00/26/93/885002693.db2.gz HFKQULADJGHZEL-NSCUHMNNSA-N 1 0 373.497 1.806 20 10 FDCDRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706863841 886659307 /nfs/dbraw/zinc/65/93/07/886659307.db2.gz QRGAAPOTTWUFID-SNVBAGLBSA-N 1 0 363.277 1.526 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000671171076 898281625 /nfs/dbraw/zinc/28/16/25/898281625.db2.gz LCKFXEILKVUDMU-OAHLLOKOSA-N 1 0 370.497 1.951 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCn1ccnc1 ZINC000073042691 901146453 /nfs/dbraw/zinc/14/64/53/901146453.db2.gz NINKWGQLJROFQF-UHFFFAOYSA-N 1 0 357.458 1.951 20 10 FDCDRO CCCCC[N@H+](CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000732871332 920276129 /nfs/dbraw/zinc/27/61/29/920276129.db2.gz DUOQGHRSHZXFAV-UHFFFAOYSA-N 1 0 363.502 1.828 20 10 FDCDRO COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000734073868 922893280 /nfs/dbraw/zinc/89/32/80/922893280.db2.gz YUTUDZIRIOKJIZ-UHFFFAOYSA-N 1 0 357.410 1.717 20 10 FDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000746148430 927640166 /nfs/dbraw/zinc/64/01/66/927640166.db2.gz WTCZOKSZMNIYJR-SOLBZPMBSA-N 1 0 372.513 1.877 20 10 FDCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C ZINC000769910422 929731993 /nfs/dbraw/zinc/73/19/93/929731993.db2.gz KUTVBORZYOIARP-JSGCOSHPSA-N 1 0 369.487 1.709 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668904 932363063 /nfs/dbraw/zinc/36/30/63/932363063.db2.gz IJSVSHDQNUFASD-CVEARBPZSA-N 1 0 360.502 1.778 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000788482410 932722725 /nfs/dbraw/zinc/72/27/25/932722725.db2.gz GNYRONBCSXFTDO-OAHLLOKOSA-N 1 0 372.513 1.920 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788560026 932732169 /nfs/dbraw/zinc/73/21/69/932732169.db2.gz ANXBWMABSQQTSX-SJORKVTESA-N 1 0 359.470 1.874 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000788796656 932808148 /nfs/dbraw/zinc/80/81/48/932808148.db2.gz SKLRVRRBFXKEHZ-LSDHHAIUSA-N 1 0 358.486 1.530 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000788951181 932885965 /nfs/dbraw/zinc/88/59/65/932885965.db2.gz IUVPGXFJZVNKPG-SFHVURJKSA-N 1 0 360.502 1.702 20 10 FDCDRO COc1ccc(O)c(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000790027549 933327008 /nfs/dbraw/zinc/32/70/08/933327008.db2.gz VVRKKTFBBBUVCF-UHFFFAOYSA-N 1 0 350.440 1.941 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000790185536 933404390 /nfs/dbraw/zinc/40/43/90/933404390.db2.gz GZEGAXVBFWGJER-QGZVFWFLSA-N 1 0 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CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000817974401 943112408 /nfs/dbraw/zinc/11/24/08/943112408.db2.gz LFTJZYZNZFWWRM-INIZCTEOSA-N 1 0 361.486 1.979 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818613617 943302818 /nfs/dbraw/zinc/30/28/18/943302818.db2.gz VNKJIZCLUCPIBX-CZUORRHYSA-N 1 0 353.413 1.883 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CC1=O ZINC000827978192 943334589 /nfs/dbraw/zinc/33/45/89/943334589.db2.gz KFGFGKFBAUFGCT-HRCADAONSA-N 1 0 359.470 1.902 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000818676893 943337805 /nfs/dbraw/zinc/33/78/05/943337805.db2.gz QEPDVXXYCQCTOZ-BZUAXINKSA-N 1 0 374.485 1.024 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2F)C[C@H](C)O1 ZINC000818967620 943385071 /nfs/dbraw/zinc/38/50/71/943385071.db2.gz XCTIUPSSGJPDKU-DAYGRLMNSA-N 1 0 365.493 1.984 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 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ZINC000844220612 947851264 /nfs/dbraw/zinc/85/12/64/947851264.db2.gz ZDHOXMMGPRIDGK-LPHOPBHVSA-N 1 0 360.502 1.403 20 10 FDCDRO CCC[C@H]1C[NH2+]CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844222391 947856231 /nfs/dbraw/zinc/85/62/31/947856231.db2.gz DBKHKLOYQVBWIJ-SFHVURJKSA-N 1 0 360.502 1.418 20 10 FDCDRO COC/C(C)=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844305472 947967209 /nfs/dbraw/zinc/96/72/09/947967209.db2.gz ZZSGVWUPHFUCTG-BMRADRMJSA-N 1 0 361.486 1.916 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001144508718 949780567 /nfs/dbraw/zinc/78/05/67/949780567.db2.gz WAYQPKFHNVMOBR-YJYMSZOUSA-N 1 0 358.394 1.726 20 10 FDCDRO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508801 949781067 /nfs/dbraw/zinc/78/10/67/949781067.db2.gz YSHAOLLEMBVVGW-ZIAGYGMSSA-N 1 0 355.394 1.402 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)c(O)c1 ZINC001144509704 949786066 /nfs/dbraw/zinc/78/60/66/949786066.db2.gz JCDKJNCJENJCLC-UHFFFAOYSA-N 1 0 356.386 1.046 20 10 FDCDRO Oc1cc(O)c(C[NH+]2CC(N3CCN(c4ccccn4)CC3)C2)c(O)c1 ZINC001144515168 949804881 /nfs/dbraw/zinc/80/48/81/949804881.db2.gz GIPWVVIPZVFGKA-UHFFFAOYSA-N 1 0 356.426 1.205 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1O ZINC000846148165 950562312 /nfs/dbraw/zinc/56/23/12/950562312.db2.gz XVIIXPLTOCQWRQ-ZDUSSCGKSA-N 1 0 356.488 1.560 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000846168171 950597298 /nfs/dbraw/zinc/59/72/98/950597298.db2.gz HTCIWJWNNBMNRS-OAHLLOKOSA-N 1 0 350.459 1.933 20 10 FDCDRO [NH3+]CCC1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000846328400 950935227 /nfs/dbraw/zinc/93/52/27/950935227.db2.gz CIDMGJWJPSVYSU-UHFFFAOYSA-N 1 0 356.517 1.329 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1F ZINC000846342762 950963249 /nfs/dbraw/zinc/96/32/49/950963249.db2.gz GZYSDYZQDDWIPQ-UHFFFAOYSA-N 1 0 364.465 1.533 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000846673070 951437621 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[NH3+]C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000861559381 983778423 /nfs/dbraw/zinc/77/84/23/983778423.db2.gz PTFWUEJFTPKBMC-UHFFFAOYSA-N 1 0 364.515 1.547 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)NC3(C[NH3+])CCOCC3)CC2)cc1 ZINC000861572778 983782214 /nfs/dbraw/zinc/78/22/14/983782214.db2.gz WIVMRCLMXZRYPT-UHFFFAOYSA-N 1 0 362.474 1.471 20 10 FDCDRO [NH3+]C1(CNC(=O)NCc2cccc(Br)c2O)CCOCC1 ZINC000861668589 983812273 /nfs/dbraw/zinc/81/22/73/983812273.db2.gz VTWLUOKDVVUKPJ-UHFFFAOYSA-N 1 0 358.236 1.462 20 10 FDCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000861750533 983897847 /nfs/dbraw/zinc/89/78/47/983897847.db2.gz SDDYNAWUAPXWCP-UHFFFAOYSA-N 1 0 360.502 1.879 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000861805153 983930779 /nfs/dbraw/zinc/93/07/79/983930779.db2.gz XTVGOICCKAQKRO-WBVHZDCISA-N 1 0 360.502 1.748 20 10 FDCDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862249357 984282371 /nfs/dbraw/zinc/28/23/71/984282371.db2.gz 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CNc1nnc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891247136 774092164 /nfs/dbraw/zinc/09/21/64/774092164.db2.gz FPVYRMPTRFNTAN-AWEZNQCLSA-N 1 0 362.503 1.607 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000891248186 774101771 /nfs/dbraw/zinc/10/17/71/774101771.db2.gz WTJJFJMTPZVQNQ-INIZCTEOSA-N 1 0 373.505 1.456 20 10 FDCDRO CCOC(=O)NCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252062 774125031 /nfs/dbraw/zinc/12/50/31/774125031.db2.gz FLHPHIQVEDEDQB-MRXNPFEDSA-N 1 0 350.463 1.608 20 10 FDCDRO COC(=O)NCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252742 774136819 /nfs/dbraw/zinc/13/68/19/774136819.db2.gz NKBBOYAISIWEJX-INIZCTEOSA-N 1 0 350.463 1.608 20 10 FDCDRO CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254979 774152465 /nfs/dbraw/zinc/15/24/65/774152465.db2.gz LNMKAQQXAHQNKQ-SJORKVTESA-N 1 0 364.515 1.393 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnnc(C)c3)CC2)cc1 ZINC000276096202 775834237 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C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892113970 781573188 /nfs/dbraw/zinc/57/31/88/781573188.db2.gz BGYFXYOSACWPAL-OAHLLOKOSA-N 1 0 364.465 1.946 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000892486263 785182832 /nfs/dbraw/zinc/18/28/32/785182832.db2.gz TVURPUPOJAHWTB-ZWKOTPCHSA-N 1 0 364.465 1.632 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000892486260 785183001 /nfs/dbraw/zinc/18/30/01/785183001.db2.gz TVURPUPOJAHWTB-QZTJIDSGSA-N 1 0 364.465 1.632 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000892778515 791216249 /nfs/dbraw/zinc/21/62/49/791216249.db2.gz LWIGRCGFCOCDBH-DZGCQCFKSA-N 1 0 363.458 1.920 20 10 FDCDRO CC(=O)c1cncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000893608209 807043428 /nfs/dbraw/zinc/04/34/28/807043428.db2.gz SJOBZJHZXHQKOR-UHFFFAOYSA-N 1 0 352.438 1.966 20 10 FDCDRO COc1ncnc(OC)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608232 807044648 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824417594 /nfs/dbraw/zinc/41/75/94/824417594.db2.gz MQAKLMMJESJHML-DLBZAZTESA-N 1 0 350.438 1.053 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C4(O)CCC4)CC3)cc2)CC1 ZINC000896444819 824418087 /nfs/dbraw/zinc/41/80/87/824418087.db2.gz NRJFACROFGAYDH-UHFFFAOYSA-N 1 0 372.513 1.933 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOCC(N)=O)C1 ZINC000444287196 826546271 /nfs/dbraw/zinc/54/62/71/826546271.db2.gz BWJKUASOQUAVBQ-UHFFFAOYSA-N 1 0 372.469 1.026 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3ncnc3C3CC3)CC2)cc1 ZINC000840774041 826691659 /nfs/dbraw/zinc/69/16/59/826691659.db2.gz VRJJRRYJNXHBIL-QGZVFWFLSA-N 1 0 357.458 1.347 20 10 FDCDRO O=C(NCc1cccc(Br)c1O)C1C[NH+](C2CCOCC2)C1 ZINC000897577476 839715018 /nfs/dbraw/zinc/71/50/18/839715018.db2.gz XCEKAAOEFJWRNF-UHFFFAOYSA-N 1 0 369.259 1.882 20 10 FDCDRO C[C@@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000897783041 840390161 /nfs/dbraw/zinc/39/01/61/840390161.db2.gz HZXAXXVGCSPNIB-AEFFLSMTSA-N 1 0 372.513 1.607 20 10 FDCDRO CC[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000898125592 840797706 /nfs/dbraw/zinc/79/77/06/840797706.db2.gz ZEXYETSGQXCSPL-SFHVURJKSA-N 1 0 358.486 1.359 20 10 FDCDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000842030106 840806319 /nfs/dbraw/zinc/80/63/19/840806319.db2.gz QKKZVLJXCJNMMN-OLZOCXBDSA-N 1 0 366.893 1.656 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](C4CC4)C3)cc2)CC1 ZINC000898324392 840944967 /nfs/dbraw/zinc/94/49/67/840944967.db2.gz MGYJBTOZLQXCDF-GOSISDBHSA-N 1 0 370.497 1.313 20 10 FDCDRO CCCN(CC(C)C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898329667 840967999 /nfs/dbraw/zinc/96/79/99/840967999.db2.gz RHNUEPGBYRIQRF-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000842147522 844974227 /nfs/dbraw/zinc/97/42/27/844974227.db2.gz GBCALIUODNUHSC-DZKIICNBSA-N 1 0 362.449 1.094 20 10 FDCDRO CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH2+]1 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O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1(O)CCCC1 ZINC000905052358 851614123 /nfs/dbraw/zinc/61/41/23/851614123.db2.gz PAIKPOXODDEJTQ-MRXNPFEDSA-N 1 0 352.450 1.808 20 10 FDCDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000908169808 855108952 /nfs/dbraw/zinc/10/89/52/855108952.db2.gz AHTOEZITNFSZBV-HNNXBMFYSA-N 1 0 357.248 1.618 20 10 FDCDRO Cc1nc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1C ZINC000908458606 855442590 /nfs/dbraw/zinc/44/25/90/855442590.db2.gz YRAJFJZUHYPEJM-INIZCTEOSA-N 1 0 365.503 1.376 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccnn2C)[NH+](C)C)cc1 ZINC000908459823 855444755 /nfs/dbraw/zinc/44/47/55/855444755.db2.gz LNTGWUKWLXCXFA-OAHLLOKOSA-N 1 0 351.476 1.067 20 10 FDCDRO Cc1ncc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1C ZINC000908460186 855445771 /nfs/dbraw/zinc/44/57/71/855445771.db2.gz OAYMSNFGMBKPOJ-INIZCTEOSA-N 1 0 365.503 1.376 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)C[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000908458005 855470586 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1.833 20 10 FDCDRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667339 858879355 /nfs/dbraw/zinc/87/93/55/858879355.db2.gz QGGFZWMTFWIMFE-GFCCVEGCSA-N 1 0 366.263 1.976 20 10 FDCDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000914242491 871993383 /nfs/dbraw/zinc/99/33/83/871993383.db2.gz LRYFRGCSCAMQAM-CXAGYDPISA-N 1 0 364.465 1.679 20 10 FDCDRO NC(=O)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000761979793 874905513 /nfs/dbraw/zinc/90/55/13/874905513.db2.gz IHMWXPVFNMAQHT-CQSZACIVSA-N 1 0 365.861 1.782 20 10 FDCDRO C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918117762 884112470 /nfs/dbraw/zinc/11/24/70/884112470.db2.gz IJUDROSFCNQWTQ-KRWDZBQOSA-N 1 0 373.501 1.235 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)C(C)C)cc2F)CC1 ZINC000154825583 884958237 /nfs/dbraw/zinc/95/82/37/884958237.db2.gz UHIYYUQBEOTOCT-GOSISDBHSA-N 1 0 366.481 1.784 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1Cn1cccn1 ZINC000923018960 887805688 /nfs/dbraw/zinc/80/56/88/887805688.db2.gz LHHRRRQGJWRVLI-MOPGFXCFSA-N 1 0 357.454 1.960 20 10 FDCDRO CCO[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C[NH+](C)C ZINC000923188100 888311107 /nfs/dbraw/zinc/31/11/07/888311107.db2.gz PHVZXTXQOAEGHV-CRAIPNDOSA-N 1 0 364.490 1.540 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3ccncc3C(N)=O)CC2)cc1 ZINC000180006002 889106811 /nfs/dbraw/zinc/10/68/11/889106811.db2.gz QXQUUIRHEPMYCW-UHFFFAOYSA-N 1 0 369.469 1.813 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000182334309 892582318 /nfs/dbraw/zinc/58/23/18/892582318.db2.gz KZVKYHJBMSBNKF-OAHLLOKOSA-N 1 0 373.453 1.989 20 10 FDCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000785423308 900531044 /nfs/dbraw/zinc/53/10/44/900531044.db2.gz WNECTINTERPMQA-QAPCUYQASA-N 1 0 360.502 1.700 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCCC(N)=O)C[C@H]2C)cc1C ZINC001107082695 900618499 /nfs/dbraw/zinc/61/84/99/900618499.db2.gz 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CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000730017749 915982868 /nfs/dbraw/zinc/98/28/68/915982868.db2.gz LUCDOCDTTULQED-LBPRGKRZSA-N 1 0 363.439 1.417 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000734687326 923589426 /nfs/dbraw/zinc/58/94/26/923589426.db2.gz UYUBXYXEQGTNQO-MOPGFXCFSA-N 1 0 360.502 1.802 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000742246483 925983514 /nfs/dbraw/zinc/98/35/14/925983514.db2.gz YFPRZNSYBRIVDM-GOSISDBHSA-N 1 0 374.529 1.900 20 10 FDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392862 926039014 /nfs/dbraw/zinc/03/90/14/926039014.db2.gz UBGFJHZOKZBQGK-HNAYVOBHSA-N 1 0 369.469 1.540 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000742370778 926041781 /nfs/dbraw/zinc/04/17/81/926041781.db2.gz MMQRWSRQYCTQSF-UHFFFAOYSA-N 1 0 350.440 1.297 20 10 FDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000767173403 929118654 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CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817996274 943100256 /nfs/dbraw/zinc/10/02/56/943100256.db2.gz ZPXKJIRRUIFWJR-UHFFFAOYSA-N 1 0 372.513 1.846 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818613618 943303515 /nfs/dbraw/zinc/30/35/15/943303515.db2.gz VNKJIZCLUCPIBX-XJKSGUPXSA-N 1 0 353.413 1.883 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)C2)cc1 ZINC000818655784 943320376 /nfs/dbraw/zinc/32/03/76/943320376.db2.gz QRVODBKJDNKINT-DOMZBBRYSA-N 1 0 356.417 1.803 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000818942496 943353911 /nfs/dbraw/zinc/35/39/11/943353911.db2.gz FDZXDLYJELFRJX-MRXNPFEDSA-N 1 0 361.408 1.720 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCc3cccnc3)CC2)cc1 ZINC000818948777 943358903 /nfs/dbraw/zinc/35/89/03/943358903.db2.gz CTYUNXVIFALVSV-FQEVSTJZSA-N 1 0 370.497 1.405 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000818983258 943371175 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COC[C@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000844404483 948035487 /nfs/dbraw/zinc/03/54/87/948035487.db2.gz CZKNKLVIZBPNIS-HZPDHXFCSA-N 1 0 361.417 1.893 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NCCN2CCOC[C@H]2C)cc1 ZINC000844957200 948537296 /nfs/dbraw/zinc/53/72/96/948537296.db2.gz ICSKWRMRPGTXAC-MRXNPFEDSA-N 1 0 364.490 1.494 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000844968569 948544853 /nfs/dbraw/zinc/54/48/53/948544853.db2.gz TWIZKCSKYBTYRO-QGZVFWFLSA-N 1 0 363.506 1.019 20 10 FDCDRO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2)NCC1CC1 ZINC001144508303 949736962 /nfs/dbraw/zinc/73/69/62/949736962.db2.gz LRGXTLBDAISFHZ-YJYMSZOUSA-N 1 0 362.426 1.168 20 10 FDCDRO O=C1CO[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]2N1c1cccc(F)c1 ZINC001144508740 949780392 /nfs/dbraw/zinc/78/03/92/949780392.db2.gz WTEBCUVWRPOPAR-CRAIPNDOSA-N 1 0 374.368 1.559 20 10 FDCDRO Oc1cc(O)c(C[N@H+]2CCc3nnc(CN4CCCCC4)n3CC2)c(O)c1 ZINC001144508721 949781186 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FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC3([NH+](C)C)CCCC3)ccc21 ZINC000774868321 963930141 /nfs/dbraw/zinc/93/01/41/963930141.db2.gz UOLHZROTEAQXBG-UHFFFAOYSA-N 1 0 372.513 1.676 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773813357 964841269 /nfs/dbraw/zinc/84/12/69/964841269.db2.gz TXVBCCUBVPGYJL-FRQCXROJSA-N 1 0 352.475 1.586 20 10 FDCDRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256303 966983342 /nfs/dbraw/zinc/98/33/42/966983342.db2.gz WJLLRZPZBQOQNB-ZWKOTPCHSA-N 1 0 374.529 1.726 20 10 FDCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852350379 967243603 /nfs/dbraw/zinc/24/36/03/967243603.db2.gz FREZMMBNBKJWAK-QXAKKESOSA-N 1 0 363.502 1.525 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@](O)(C4CC4)C3)CC2)cc1 ZINC000852502572 967379173 /nfs/dbraw/zinc/37/91/73/967379173.db2.gz JSBBAAXNLSNFDY-OAQYLSRUSA-N 1 0 373.497 1.581 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H]4COC[C@]4(C)C3)CC2)cc1 ZINC000852532885 967402162 /nfs/dbraw/zinc/40/21/62/967402162.db2.gz RMNMZBQPLSDTJM-JXFKEZNVSA-N 1 0 359.470 1.312 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)CC2)cc1 ZINC000852532895 967402433 /nfs/dbraw/zinc/40/24/33/967402433.db2.gz RMNMZBQPLSDTJM-UZLBHIALSA-N 1 0 359.470 1.312 20 10 FDCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852696207 967539236 /nfs/dbraw/zinc/53/92/36/967539236.db2.gz WLWJVFFBBPQNJD-QGZVFWFLSA-N 1 0 360.502 1.605 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852777718 967600392 /nfs/dbraw/zinc/60/03/92/967600392.db2.gz VGVXWTPUYHYIOE-MRXNPFEDSA-N 1 0 369.469 1.595 20 10 FDCDRO COC(=O)/C=C\c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000852792261 967611044 /nfs/dbraw/zinc/61/10/44/967611044.db2.gz UGVNXDOBOBEULC-SLWQEBJJSA-N 1 0 357.410 1.962 20 10 FDCDRO CCOC(=O)C1=C(C[NH2+][C@H](C)c2cc(OC)ccc2O)NC(=O)N[C@H]1C ZINC000775369147 967639342 /nfs/dbraw/zinc/63/93/42/967639342.db2.gz LAMHZNLSKAXPTO-MNOVXSKESA-N 1 0 363.414 1.570 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000852834933 967645451 /nfs/dbraw/zinc/64/54/51/967645451.db2.gz DSFFROCTHMPJAE-AWEZNQCLSA-N 1 0 357.458 1.704 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)C=C3CC[NH2+]CC3)CC2)cc1 ZINC000852873476 967679928 /nfs/dbraw/zinc/67/99/28/967679928.db2.gz WENADADDPMOARM-UHFFFAOYSA-N 1 0 358.486 1.243 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000775369952 967714817 /nfs/dbraw/zinc/71/48/17/967714817.db2.gz CRNGEDHRCDLORI-GFCCVEGCSA-N 1 0 366.439 1.778 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122926 967845609 /nfs/dbraw/zinc/84/56/09/967845609.db2.gz VZCMHQMMIHKXDO-HNAYVOBHSA-N 1 0 352.475 1.150 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000853248439 967943773 /nfs/dbraw/zinc/94/37/73/967943773.db2.gz UAHYHGRQQALDKC-JCNLHEQBSA-N 1 0 362.474 1.030 20 10 FDCDRO C[NH+](C)CCC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000853990360 968505051 /nfs/dbraw/zinc/50/50/51/968505051.db2.gz MLAOABMDVVFPCL-GFCCVEGCSA-N 1 0 364.402 1.473 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccn[nH]c3=O)CC2)cc1 ZINC001192399119 969113448 /nfs/dbraw/zinc/11/34/48/969113448.db2.gz QBLYCVHCNKEINB-UHFFFAOYSA-N 1 0 371.441 1.133 20 10 FDCDRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc(O)c1O ZINC001193096410 969500874 /nfs/dbraw/zinc/50/08/74/969500874.db2.gz SXEAYSAXSRNJHA-JKSUJKDBSA-N 1 0 369.421 1.990 20 10 FDCDRO CCC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000863328102 972812372 /nfs/dbraw/zinc/81/23/72/972812372.db2.gz IIAQSGLGQQHOGG-SFHVURJKSA-N 1 0 362.470 1.895 20 10 FDCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000775838332 972962739 /nfs/dbraw/zinc/96/27/39/972962739.db2.gz XCJUHKSNXYHTMX-ZDUSSCGKSA-N 1 0 351.476 1.115 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]C[C@H]3C(C)C)CC2)cc1 ZINC000863546306 973000557 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20 10 FDCDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2=O)n(C)n1 ZINC001200829755 974912129 /nfs/dbraw/zinc/91/21/29/974912129.db2.gz BKYQDCFHRZNZLL-GOSISDBHSA-N 1 0 369.469 1.460 20 10 FDCDRO COC(=O)Cn1cc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)nn1 ZINC000121028004 975566540 /nfs/dbraw/zinc/56/65/40/975566540.db2.gz RDLOXGNNTDHPTM-UHFFFAOYSA-N 1 0 370.409 1.995 20 10 FDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000866554820 975784480 /nfs/dbraw/zinc/78/44/80/975784480.db2.gz USQJPSCTVXGYER-YVEFUNNKSA-N 1 0 354.834 1.632 20 10 FDCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2C)cc1 ZINC000848307063 976590187 /nfs/dbraw/zinc/59/01/87/976590187.db2.gz CPZRXMQGNZFOLB-ZWKOTPCHSA-N 1 0 369.465 1.994 20 10 FDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000848415539 976723504 /nfs/dbraw/zinc/72/35/04/976723504.db2.gz OGYPPEAWOZXCJA-AWEZNQCLSA-N 1 0 372.448 1.166 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000848429244 976731287 /nfs/dbraw/zinc/73/12/87/976731287.db2.gz NRRUBTBMDCMMJE-FPOVZHCZSA-N 1 0 370.497 1.361 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc(N)c3OC)cc2F)CC1 ZINC000848663411 976983923 /nfs/dbraw/zinc/98/39/23/976983923.db2.gz BMLGYOARUJDHSM-UHFFFAOYSA-N 1 0 360.437 1.961 20 10 FDCDRO CN1C(=O)C(=CNCc2ccccc2C[NH+]2CCCCC2)C(=O)N(C)C1=O ZINC000108240348 977315085 /nfs/dbraw/zinc/31/50/85/977315085.db2.gz HZLTWHKHJCKLEX-UHFFFAOYSA-N 1 0 370.453 1.696 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868361376 977533700 /nfs/dbraw/zinc/53/37/00/977533700.db2.gz XLQPMFPITKAAPK-CALCHBBNSA-N 1 0 358.486 1.452 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H](c2cnn(C)c2)C1 ZINC000849565937 977761800 /nfs/dbraw/zinc/76/18/00/977761800.db2.gz XHRFMWFDJRJLPK-SJORKVTESA-N 1 0 372.469 1.962 20 10 FDCDRO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850361619 978336658 /nfs/dbraw/zinc/33/66/58/978336658.db2.gz UEWALGDHBPJQAX-GJZGRUSLSA-N 1 0 357.472 1.600 20 10 FDCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505900 978406761 /nfs/dbraw/zinc/40/67/61/978406761.db2.gz CMNYFZKAQAFUJB-HNNXBMFYSA-N 1 0 360.483 1.432 20 10 FDCDRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Br)cc1O ZINC000850508303 978408737 /nfs/dbraw/zinc/40/87/37/978408737.db2.gz MJWQWQJAIRDHAQ-IAQYHMDHSA-N 1 0 360.248 1.973 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000851666661 978990015 /nfs/dbraw/zinc/99/00/15/978990015.db2.gz JNQIZGMNWJAWAU-KBRIMQKVSA-N 1 0 350.438 1.602 20 10 FDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C[NH3+] ZINC000851681848 978995556 /nfs/dbraw/zinc/99/55/56/978995556.db2.gz RAKUBFOCPHXOHL-RDJZCZTQSA-N 1 0 360.502 1.774 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000851685393 978997245 /nfs/dbraw/zinc/99/72/45/978997245.db2.gz AIJNCQBCMSSGHW-QAPCUYQASA-N 1 0 358.486 1.489 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851689187 978999605 /nfs/dbraw/zinc/99/96/05/978999605.db2.gz LWWYIBISJODSBB-QAPCUYQASA-N 1 0 374.485 1.024 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852063617 979318421 /nfs/dbraw/zinc/31/84/21/979318421.db2.gz SBMOOFOPDOFRTC-UHFFFAOYSA-N 1 0 364.490 1.025 20 10 FDCDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881410740 979918638 /nfs/dbraw/zinc/91/86/38/979918638.db2.gz JSEBEODVLFSAAC-IBGZPJMESA-N 1 0 367.453 1.932 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc(C4CC4)nn3)CC2)cc1 ZINC000881418849 979926598 /nfs/dbraw/zinc/92/65/98/979926598.db2.gz JQCWOMXFHPBGJE-KRWDZBQOSA-N 1 0 357.458 1.347 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000881851955 980214418 /nfs/dbraw/zinc/21/44/18/980214418.db2.gz UNJYCWIMTDUQFL-UHFFFAOYSA-N 1 0 362.474 1.579 20 10 FDCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N(C)CC(F)(F)F ZINC000881853904 980218687 /nfs/dbraw/zinc/21/86/87/980218687.db2.gz OAVZQABDHSKADB-AWEZNQCLSA-N 1 0 372.435 1.937 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@H]3CCCO3)cc2)CC1 ZINC000881854316 980219490 /nfs/dbraw/zinc/21/94/90/980219490.db2.gz BEQHNZLDEURTND-GOSISDBHSA-N 1 0 369.469 1.943 20 10 FDCDRO Cc1cnc2nc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)nn2c1 ZINC000881855627 980221384 /nfs/dbraw/zinc/22/13/84/980221384.db2.gz YXLIYJMPUZYRNM-UHFFFAOYSA-N 1 0 365.441 1.115 20 10 FDCDRO COC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662231 980802038 /nfs/dbraw/zinc/80/20/38/980802038.db2.gz CHADLGXCVHNYIN-OAHLLOKOSA-N 1 0 355.504 1.140 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3nnc(Cl)cc3C(N)=O)cc2)CC1 ZINC000882880338 981770761 /nfs/dbraw/zinc/77/07/61/981770761.db2.gz MZFCMVVEZLUGFQ-UHFFFAOYSA-N 1 0 360.849 1.593 20 10 FDCDRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858114710 981838324 /nfs/dbraw/zinc/83/83/24/981838324.db2.gz RBADOAAYWOOKKJ-UHFFFAOYSA-N 1 0 365.293 1.962 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000858215917 981920884 /nfs/dbraw/zinc/92/08/84/981920884.db2.gz BXCBIVPSWHSISF-UHFFFAOYSA-N 1 0 368.481 1.884 20 10 FDCDRO COC(=O)CCNC(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000858294037 981968621 /nfs/dbraw/zinc/96/86/21/981968621.db2.gz TYUVPWHULLKGPL-UHFFFAOYSA-N 1 0 363.458 1.323 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNCc3cn(C[C@@H]4CCOC4)nn3)cc2)CC1 ZINC000883282880 982042870 /nfs/dbraw/zinc/04/28/70/982042870.db2.gz JDRSNKBLKHYXFT-SFHVURJKSA-N 1 0 370.501 1.356 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000858467966 982066236 /nfs/dbraw/zinc/06/62/36/982066236.db2.gz ZIICURLQGBJEAV-LIRRHRJNSA-N 1 0 350.459 1.667 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000883450374 982157288 /nfs/dbraw/zinc/15/72/88/982157288.db2.gz LIQBHYNCQUHJIM-HNNXBMFYSA-N 1 0 356.474 1.732 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3cscn3)cc2)CC1 ZINC000883535726 982252369 /nfs/dbraw/zinc/25/23/69/982252369.db2.gz VDACGKQBUICXDZ-UHFFFAOYSA-N 1 0 359.499 1.937 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCn4nccc43)cc2)CC1 ZINC000883805388 982484538 /nfs/dbraw/zinc/48/45/38/982484538.db2.gz FSRJJKDUSJGKLU-GOSISDBHSA-N 1 0 368.485 1.969 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC[C@H]3CCOC3=O)cc2)CC1 ZINC000883809721 982487828 /nfs/dbraw/zinc/48/78/28/982487828.db2.gz PSRMDKPPTIENCC-KRWDZBQOSA-N 1 0 374.485 1.581 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCOC(=O)N3)cc2F)CC1 ZINC000859261917 982655707 /nfs/dbraw/zinc/65/57/07/982655707.db2.gz SGQHLWYYNREAGY-HNNXBMFYSA-N 1 0 364.421 1.082 20 10 FDCDRO CCOC(=O)N(C)CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010428 982699669 /nfs/dbraw/zinc/69/96/69/982699669.db2.gz BZJZIYTVTMRDQX-MRXNPFEDSA-N 1 0 350.463 1.737 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CCOC)CC1)cc2=O ZINC000859400859 982773125 /nfs/dbraw/zinc/77/31/25/982773125.db2.gz QEVNJASBVOBKKF-UHFFFAOYSA-N 1 0 362.430 1.860 20 10 FDCDRO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000884566363 983248867 /nfs/dbraw/zinc/24/88/67/983248867.db2.gz IMPUHDOQQNHHJK-QGZVFWFLSA-N 1 0 356.470 1.409 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000884633355 983299535 /nfs/dbraw/zinc/29/95/35/983299535.db2.gz DFEIWHODUNCNLL-HOCLYGCPSA-N 1 0 360.502 1.824 20 10 FDCDRO CC(C)[C@H](NC=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860240721 983302554 /nfs/dbraw/zinc/30/25/54/983302554.db2.gz CRWHRTACKHNQMH-RDJZCZTQSA-N 1 0 367.877 1.897 20 10 FDCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC(=O)N1 ZINC000860243010 983304911 /nfs/dbraw/zinc/30/49/11/983304911.db2.gz ZXKWVKKLMXELAH-UONOGXRCSA-N 1 0 367.833 1.625 20 10 FDCDRO C=CC(=O)N(C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000860534864 983434805 /nfs/dbraw/zinc/43/48/05/983434805.db2.gz SAGKGQCIORRXMP-UHFFFAOYSA-N 1 0 370.497 1.479 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000884642039 984647625 /nfs/dbraw/zinc/64/76/25/984647625.db2.gz ZEVBOZXBRIDJDB-JSGCOSHPSA-N 1 0 350.438 1.236 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000886835689 986629516 /nfs/dbraw/zinc/62/95/16/986629516.db2.gz PIBOGYIQFPALAE-FXAWDEMLSA-N 1 0 373.497 1.845 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000872221766 987524158 /nfs/dbraw/zinc/52/41/58/987524158.db2.gz JRDRWCZSGZJPNG-YNVMFWSZSA-N 1 0 363.502 1.334 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000365701398 987987943 /nfs/dbraw/zinc/98/79/43/987987943.db2.gz LJPLLLCEEYOBJE-UHFFFAOYSA-N 1 0 358.486 1.313 20 10 FDCDRO COc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1Cn1cccn1 ZINC000873048427 988477342 /nfs/dbraw/zinc/47/73/42/988477342.db2.gz AOHIFFJHOUKVFE-UHFFFAOYSA-N 1 0 366.487 1.357 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000363161375 988964553 /nfs/dbraw/zinc/96/45/53/988964553.db2.gz UOFIWDNMFUCZNT-HXUWFJFHSA-N 1 0 357.498 1.853 20 10 FDCDRO CCOCc1cc(C[NH2+]C2CCN(c3nnnn3C)CC2)ccc1OC ZINC000363489480 989241822 /nfs/dbraw/zinc/24/18/22/989241822.db2.gz NTTITNISOYZNTK-UHFFFAOYSA-N 1 0 360.462 1.514 20 10 FDCDRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc3c(c2)CCN3C)CCCO1 ZINC000370500044 989791854 /nfs/dbraw/zinc/79/18/54/989791854.db2.gz PTPHPFJEBXTGSC-MRXNPFEDSA-N 1 0 360.502 1.979 20 10 FDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1O ZINC000370633681 989910045 /nfs/dbraw/zinc/91/00/45/989910045.db2.gz GNPSWFKRGUUSOW-KBXCAEBGSA-N 1 0 358.442 1.834 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000298531532 990145108 /nfs/dbraw/zinc/14/51/08/990145108.db2.gz MFSMDSBTNNGLGX-IBGZPJMESA-N 1 0 360.502 1.165 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875252658 991197930 /nfs/dbraw/zinc/19/79/30/991197930.db2.gz RGCQOZSJFKZYDR-FUHWJXTLSA-N 1 0 358.486 1.230 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ncccn3)CC2)cc1 ZINC000888674002 991780701 /nfs/dbraw/zinc/78/07/01/991780701.db2.gz ZPXAQPGBHSAJGT-UHFFFAOYSA-N 1 0 370.457 1.819 20 10 FDCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000373206087 992003614 /nfs/dbraw/zinc/00/36/14/992003614.db2.gz MTFVMIAZGXWLSZ-ZDUSSCGKSA-N 1 0 365.430 1.900 20 10 FDCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1O ZINC000373447881 992224341 /nfs/dbraw/zinc/22/43/41/992224341.db2.gz HFWWEJOXSYBSFN-MSOLQXFVSA-N 1 0 361.486 1.756 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]([NH+]3CCCC3)C1)cc2=O ZINC000373980488 992544010 /nfs/dbraw/zinc/54/40/10/992544010.db2.gz GXXZJILFEGMKOL-CQSZACIVSA-N 1 0 359.430 1.282 20 10 FDCDRO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876562502 992707292 /nfs/dbraw/zinc/70/72/92/992707292.db2.gz QZLAPYBLNODLSW-UHFFFAOYSA-N 1 0 367.515 1.115 20 10 FDCDRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)/C=C/[C@H]1CCC[NH2+]C1)CC2 ZINC000876679924 992790935 /nfs/dbraw/zinc/79/09/35/992790935.db2.gz KYZNAURWIXGXRC-LHRNQBEKSA-N 1 0 363.483 1.430 20 10 FDCDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000876731948 992846745 /nfs/dbraw/zinc/84/67/45/992846745.db2.gz PJBMWRPVJMEECB-VBBKXYPESA-N 1 0 370.497 1.416 20 10 FDCDRO Cc1ccc(C[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000876957729 992983284 /nfs/dbraw/zinc/98/32/84/992983284.db2.gz FCAPNGDFRZJMDS-UHFFFAOYSA-N 1 0 363.458 1.870 20 10 FDCDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877593302 993366172 /nfs/dbraw/zinc/36/61/72/993366172.db2.gz RWWAQWORPLYUGI-INIZCTEOSA-N 1 0 364.511 1.986 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878868834 994303167 /nfs/dbraw/zinc/30/31/67/994303167.db2.gz SUDATBIULCTEPX-FQEVSTJZSA-N 1 0 362.518 1.100 20 10 FDCDRO CCN1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000924009048 994319773 /nfs/dbraw/zinc/31/97/73/994319773.db2.gz VMWHYCMRQPUHEA-SFHVURJKSA-N 1 0 373.501 1.249 20 10 FDCDRO COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000924009702 994321066 /nfs/dbraw/zinc/32/10/66/994321066.db2.gz YKXCGCCVYUHAKU-SJORKVTESA-N 1 0 374.485 1.579 20 10 FDCDRO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC[N@@H+]1C ZINC000924047123 994341342 /nfs/dbraw/zinc/34/13/42/994341342.db2.gz RGKQPMHAUXTOFN-KBXCAEBGSA-N 1 0 373.501 1.280 20 10 FDCDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000924483604 994731575 /nfs/dbraw/zinc/73/15/75/994731575.db2.gz YFXJHWLGKGMIRP-SFHVURJKSA-N 1 0 372.469 1.430 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC2)cc1 ZINC000879566484 995014724 /nfs/dbraw/zinc/01/47/24/995014724.db2.gz HBPOUGFVFAKLOF-YLJYHZDGSA-N 1 0 372.513 1.370 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000879649674 995135021 /nfs/dbraw/zinc/13/50/21/995135021.db2.gz BQCJYGDWPZPTSN-ZDUSSCGKSA-N 1 0 362.451 1.763 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3OC4CCC3CC4)CC2)cc1 ZINC000879798649 995287367 /nfs/dbraw/zinc/28/73/67/995287367.db2.gz AHIMDIHQPSCBFZ-FDYSRKEFSA-N 1 0 361.486 1.737 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c1O ZINC000926964850 996376437 /nfs/dbraw/zinc/37/64/37/996376437.db2.gz NYWRXRGGLRRLLQ-CQSZACIVSA-N 1 0 371.437 1.484 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3(CO)CCC3)cc2)CC1 ZINC000889660584 998509313 /nfs/dbraw/zinc/50/93/13/998509313.db2.gz CJQGLMRRRNJZHR-UHFFFAOYSA-N 1 0 360.502 1.790 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000889661367 998511121 /nfs/dbraw/zinc/51/11/21/998511121.db2.gz YMPRTUPBOYFUNJ-IBGZPJMESA-N 1 0 359.518 1.674 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CO)C3CCCC3)cc2)CC1 ZINC000889662503 998512230 /nfs/dbraw/zinc/51/22/30/998512230.db2.gz GDIYLBMUAYFTRQ-IBGZPJMESA-N 1 0 360.502 1.789 20 10 FDCDRO CCn1cc(CN(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000889669581 998519042 /nfs/dbraw/zinc/51/90/42/998519042.db2.gz NLJXZWDUFVHTOL-UHFFFAOYSA-N 1 0 370.501 1.996 20 10 FDCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000269383718 999467066 /nfs/dbraw/zinc/46/70/66/999467066.db2.gz QBGBCKJTLFQIBE-UHFFFAOYSA-N 1 0 364.398 1.012 20 10 FDCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283314888 999748554 /nfs/dbraw/zinc/74/85/54/999748554.db2.gz BRHLQGOLTQHYFE-CVEARBPZSA-N 1 0 360.502 1.605 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000283500814 999756428 /nfs/dbraw/zinc/75/64/28/999756428.db2.gz HNHUWFYNVALZOD-UHFFFAOYSA-N 1 0 360.502 1.794 20 10 FDCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283554106 999756855 /nfs/dbraw/zinc/75/68/55/999756855.db2.gz QUIDBVSSAQEQKZ-HNNXBMFYSA-N 1 0 360.502 1.558 20 10 FDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000284049364 999775786 /nfs/dbraw/zinc/77/57/86/999775786.db2.gz MDLHEXBINPJLTK-PKOBYXMFSA-N 1 0 372.513 1.892 20 10 FDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000284433562 999832400 /nfs/dbraw/zinc/83/24/00/999832400.db2.gz YRXBDFBUKJLUKF-QGZVFWFLSA-N 1 0 372.513 1.751 20 10 FDCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1O ZINC000289470451 1000101140 /nfs/dbraw/zinc/10/11/40/1000101140.db2.gz PKZPOQZLPVHQTK-CYBMUJFWSA-N 1 0 361.394 1.776 20 10 FDCDRO C[N@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccc(N2CCOCC2)cc1 ZINC000929185383 1001796960 /nfs/dbraw/zinc/79/69/60/1001796960.db2.gz NMPPGKUFNDVBFB-UHFFFAOYSA-N 1 0 361.486 1.592 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC=CO2)[NH+](C)C)cc1 ZINC000930082695 1002795235 /nfs/dbraw/zinc/79/52/35/1002795235.db2.gz UBPPIKMEBXSAAK-MSOLQXFVSA-N 1 0 374.485 1.280 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1([C@@H]3CCCCO3)CC1)cc2=O ZINC000933375497 1005547688 /nfs/dbraw/zinc/54/76/88/1005547688.db2.gz QZISNVLTNMLEFL-AWEZNQCLSA-N 1 0 360.414 1.803 20 10 FDCDRO C[C@H](O)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092435063 1007175859 /nfs/dbraw/zinc/17/58/59/1007175859.db2.gz GWTOYVWNMFZKAO-INIZCTEOSA-N 1 0 360.502 1.789 20 10 FDCDRO 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CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000842210332 845627335 /nfs/dbraw/zinc/62/73/35/845627335.db2.gz ZAMXGPCNMRJEES-CZUORRHYSA-N 1 0 364.465 1.484 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCc3nccnc3C2)[NH+](C)C)cc1 ZINC000899097506 845759777 /nfs/dbraw/zinc/75/97/77/845759777.db2.gz BKWDOTAIMJAQIX-LJQANCHMSA-N 1 0 368.485 1.913 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000842229705 845768223 /nfs/dbraw/zinc/76/82/23/845768223.db2.gz LYZLWQPXTVJBHC-CVEARBPZSA-N 1 0 374.485 1.120 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000842229817 845768420 /nfs/dbraw/zinc/76/84/20/845768420.db2.gz QTOJCACOCWTLLP-WBVHZDCISA-N 1 0 360.502 1.605 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCn3cnnc3C2)[NH+](C)C)cc1 ZINC000899101794 845773584 /nfs/dbraw/zinc/77/35/84/845773584.db2.gz MLITZJFXIMUGDM-MRXNPFEDSA-N 1 0 357.462 1.172 20 10 FDCDRO CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101926 845774335 /nfs/dbraw/zinc/77/43/35/845774335.db2.gz NEJWTTPYOJFLHD-WMZOPIPTSA-N 1 0 368.547 1.769 20 10 FDCDRO C[C@H](O)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H](C)CO ZINC000899102030 845774465 /nfs/dbraw/zinc/77/44/65/845774465.db2.gz JTWBOORXCVHNEE-RLFYNMQTSA-N 1 0 366.506 1.129 20 10 FDCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](CO)O1 ZINC000899103367 845776286 /nfs/dbraw/zinc/77/62/86/845776286.db2.gz KUJGFJNLVTYGSE-ZTFGCOKTSA-N 1 0 364.490 1.147 20 10 FDCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](CO)O1 ZINC000899103365 845776726 /nfs/dbraw/zinc/77/67/26/845776726.db2.gz KUJGFJNLVTYGSE-JLSDUUJJSA-N 1 0 364.490 1.147 20 10 FDCDRO Cc1noc(C2CN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)n1 ZINC000899100963 845798565 /nfs/dbraw/zinc/79/85/65/845798565.db2.gz DXKNEPFEJXWNEP-QGZVFWFLSA-N 1 0 372.473 1.856 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842258114 846086564 /nfs/dbraw/zinc/08/65/64/846086564.db2.gz NOGQPWISKDSZAZ-UHFFFAOYSA-N 1 0 372.263 1.357 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905052936 851614114 /nfs/dbraw/zinc/61/41/14/851614114.db2.gz XSKGJGAPBPCLQZ-ROUUACIJSA-N 1 0 352.500 1.232 20 10 FDCDRO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905429820 851935819 /nfs/dbraw/zinc/93/58/19/851935819.db2.gz KMYUFQNUKFNSCD-ZIFCJYIRSA-N 1 0 363.502 1.193 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000911229789 858377442 /nfs/dbraw/zinc/37/74/42/858377442.db2.gz NCFWCMFDOSNCGX-DOTOQJQBSA-N 1 0 360.502 1.592 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1 ZINC000911667702 858880588 /nfs/dbraw/zinc/88/05/88/858880588.db2.gz QTASZQIEMNDPON-MAUKXSAKSA-N 1 0 353.426 1.457 20 10 FDCDRO CNC(=O)Nc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911667731 858880840 /nfs/dbraw/zinc/88/08/40/858880840.db2.gz RHWJBHWERSWRCD-KRWDZBQOSA-N 1 0 355.442 1.934 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3cc[nH]n3)CC2)cc1 ZINC000916196605 881447401 /nfs/dbraw/zinc/44/74/01/881447401.db2.gz NVGQBFJJVSPONY-UHFFFAOYSA-N 1 0 372.473 1.430 20 10 FDCDRO O=C(CNC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2)NCc1ccccc1 ZINC000922766084 879219474 /nfs/dbraw/zinc/21/94/74/879219474.db2.gz KXTFVPGGZSPNRL-UHFFFAOYSA-N 1 0 367.449 1.534 20 10 FDCDRO CS(=O)(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000707127716 886767748 /nfs/dbraw/zinc/76/77/48/886767748.db2.gz KURLBNVIYYDJJV-UHFFFAOYSA-N 1 0 363.277 1.668 20 10 FDCDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000923276885 888709170 /nfs/dbraw/zinc/70/91/70/888709170.db2.gz JDWKHXLRBAFQIM-QWHCGFSZSA-N 1 0 353.444 1.072 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727032933 907009659 /nfs/dbraw/zinc/00/96/59/907009659.db2.gz NGKQAVAVCDXBOY-MRXNPFEDSA-N 1 0 364.490 1.462 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2C)cc1C ZINC001082482236 907957923 /nfs/dbraw/zinc/95/79/23/907957923.db2.gz BZHXBBPAJBXPOW-BFYDXBDKSA-N 1 0 357.458 1.793 20 10 FDCDRO CC(=O)N1CCN(C(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000733614014 921799267 /nfs/dbraw/zinc/79/92/67/921799267.db2.gz UQCGYRRNBGFUKA-UHFFFAOYSA-N 1 0 359.470 1.828 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnnn2C)cc1C ZINC001085186360 922110270 /nfs/dbraw/zinc/11/02/70/922110270.db2.gz NWQPIBHWFDJNLY-HZPDHXFCSA-N 1 0 357.458 1.963 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(=O)[nH]3)cc2F)CC1 ZINC000282560918 922174849 /nfs/dbraw/zinc/17/48/49/922174849.db2.gz VEZCREQNPANTOF-UHFFFAOYSA-N 1 0 358.417 1.998 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC001086110750 926037085 /nfs/dbraw/zinc/03/70/85/926037085.db2.gz XOYVIKKHOGYMED-RMRDIRSESA-N 1 0 362.470 1.792 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000787649034 932356989 /nfs/dbraw/zinc/35/69/89/932356989.db2.gz GPXFAKXTSJDMGS-UHFFFAOYSA-N 1 0 361.486 1.979 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788562193 932732590 /nfs/dbraw/zinc/73/25/90/932732590.db2.gz JQLQIKOWVACGQG-PKOBYXMFSA-N 1 0 372.513 1.844 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000807095824 940247784 /nfs/dbraw/zinc/24/77/84/940247784.db2.gz GTSZRLAQVLVHGA-SFHVURJKSA-N 1 0 358.486 1.372 20 10 FDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000807101066 940249454 /nfs/dbraw/zinc/24/94/54/940249454.db2.gz SUINRMPJLMNRKJ-GOSISDBHSA-N 1 0 360.502 1.620 20 10 FDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807679394 940454632 /nfs/dbraw/zinc/45/46/32/940454632.db2.gz REOCIEACBHEBRY-YJBOKZPZSA-N 1 0 360.502 1.873 20 10 FDCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000808783201 940606379 /nfs/dbraw/zinc/60/63/79/940606379.db2.gz LUSHUMVCQMYCHN-SXLOBPIMSA-N 1 0 372.513 1.605 20 10 FDCDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810075876 940946789 /nfs/dbraw/zinc/94/67/89/940946789.db2.gz WGWHMNKILAOIAI-LJQANCHMSA-N 1 0 367.465 1.275 20 10 FDCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810181255 940963885 /nfs/dbraw/zinc/96/38/85/940963885.db2.gz GEWJLEDBYIIISV-UHFFFAOYSA-N 1 0 370.475 1.566 20 10 FDCDRO CCn1nncc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000815912039 942016549 /nfs/dbraw/zinc/01/65/49/942016549.db2.gz XLGNXYILNMTZQV-UHFFFAOYSA-N 1 0 368.485 1.760 20 10 FDCDRO O=C(CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCOCC1 ZINC000816482933 942214963 /nfs/dbraw/zinc/21/49/63/942214963.db2.gz ZAGJTJYLCKCPIJ-UHFFFAOYSA-N 1 0 369.465 1.522 20 10 FDCDRO COCCn1nnc2c1CCN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000816637232 942281773 /nfs/dbraw/zinc/28/17/73/942281773.db2.gz XJEGXVWHKJLWNB-UHFFFAOYSA-N 1 0 370.501 1.235 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1C ZINC001086776530 942473373 /nfs/dbraw/zinc/47/33/73/942473373.db2.gz JWOAXAVFLSAMEM-BBWFWOEESA-N 1 0 359.470 1.514 20 10 FDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1O ZINC000817419385 942771065 /nfs/dbraw/zinc/77/10/65/942771065.db2.gz VBFPIGCLWIDQBA-LLVKDONJSA-N 1 0 368.235 1.645 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000817808804 942962806 /nfs/dbraw/zinc/96/28/06/942962806.db2.gz ZJNVSQVVFHYKLY-RDJZCZTQSA-N 1 0 372.513 1.461 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000817828630 943036041 /nfs/dbraw/zinc/03/60/41/943036041.db2.gz KRMPGQMBOXEFEM-MRXNPFEDSA-N 1 0 374.529 1.709 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817910332 943073598 /nfs/dbraw/zinc/07/35/98/943073598.db2.gz QYRSHUHUTAZINN-UHFFFAOYSA-N 1 0 354.454 1.034 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000817915660 943075449 /nfs/dbraw/zinc/07/54/49/943075449.db2.gz ODPHWZFAWNHXOB-YOEHRIQHSA-N 1 0 371.437 1.710 20 10 FDCDRO CC[C@@H]1CN(C(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000817919389 943077307 /nfs/dbraw/zinc/07/73/07/943077307.db2.gz RRUVGRHDWWBUNS-AEFFLSMTSA-N 1 0 360.502 1.687 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817918139 943077494 /nfs/dbraw/zinc/07/74/94/943077494.db2.gz HYUFDMXZVTYQAH-IBGZPJMESA-N 1 0 372.513 1.702 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@@H]1[NH3+] ZINC000817926466 943082553 /nfs/dbraw/zinc/08/25/53/943082553.db2.gz JIMLYBPSXRWCFT-KDOFPFPSSA-N 1 0 358.486 1.439 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000817950355 943091290 /nfs/dbraw/zinc/09/12/90/943091290.db2.gz UMTRNIYMMKUBDJ-UHFFFAOYSA-N 1 0 359.470 1.733 20 10 FDCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817991139 943125664 /nfs/dbraw/zinc/12/56/64/943125664.db2.gz MOWDBUBHHQVGPC-AEFFLSMTSA-N 1 0 372.513 1.831 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818208773 943196882 /nfs/dbraw/zinc/19/68/82/943196882.db2.gz MESJSBOMALGXMA-QGZVFWFLSA-N 1 0 356.474 1.931 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819002985 943380501 /nfs/dbraw/zinc/38/05/01/943380501.db2.gz QHPWLBBZEWBPBI-MAUKXSAKSA-N 1 0 352.475 1.666 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCCSC)CC2)cc1 ZINC000819085266 943413380 /nfs/dbraw/zinc/41/33/80/943413380.db2.gz JLITVXCLBTUIMG-KRWDZBQOSA-N 1 0 353.532 1.521 20 10 FDCDRO CC[C@@H](COC)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819090599 943415848 /nfs/dbraw/zinc/41/58/48/943415848.db2.gz YKYOQLOLBMNNLK-WMZOPIPTSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@]3(C)CCOC3)CC2)cc1 ZINC000819062336 943426310 /nfs/dbraw/zinc/42/63/10/943426310.db2.gz XEHXAARYCSXNMF-AZUAARDMSA-N 1 0 363.502 1.194 20 10 FDCDRO CN1CCC([N@@H+]2CC[C@H](N3C(=O)CN(Cc4ccccc4O)C3=O)C2)CC1 ZINC000819169032 943457962 /nfs/dbraw/zinc/45/79/62/943457962.db2.gz XUKBZXZMRMOQHB-KRWDZBQOSA-N 1 0 372.469 1.325 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCC(C)(F)F)CC2)cc1 ZINC000819335829 943531964 /nfs/dbraw/zinc/53/19/64/943531964.db2.gz CAQDECOOQAHSER-INIZCTEOSA-N 1 0 357.445 1.813 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3[nH]cnc3C)cc2F)CC1 ZINC001136687509 945568629 /nfs/dbraw/zinc/56/86/29/945568629.db2.gz SNDJMUUASRVWER-UHFFFAOYSA-N 1 0 359.449 1.858 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)C2)cc1 ZINC000823734170 945937420 /nfs/dbraw/zinc/93/74/20/945937420.db2.gz VOUGLNXVBMXVKZ-JTDSTZFVSA-N 1 0 358.486 1.867 20 10 FDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CC12COC2 ZINC000824489746 946470566 /nfs/dbraw/zinc/47/05/66/946470566.db2.gz RLMBNZHYJPOROV-CYBMUJFWSA-N 1 0 351.399 1.421 20 10 FDCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]12 ZINC000824892930 946842500 /nfs/dbraw/zinc/84/25/00/946842500.db2.gz GASIVSOARPJOLS-CALCHBBNSA-N 1 0 352.390 1.676 20 10 FDCDRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000825247431 947089426 /nfs/dbraw/zinc/08/94/26/947089426.db2.gz RSXHRZXOXOMUJD-UHFFFAOYSA-N 1 0 351.266 1.572 20 10 FDCDRO Cc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)n1-c1ccccn1 ZINC000844040873 947648160 /nfs/dbraw/zinc/64/81/60/947648160.db2.gz OTULATTZYDIBFX-MRXNPFEDSA-N 1 0 369.469 1.681 20 10 FDCDRO C[C@H]1CN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000844172463 947815430 /nfs/dbraw/zinc/81/54/30/947815430.db2.gz GZTNJXJAFYEUEC-KBPBESRZSA-N 1 0 365.449 1.434 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000844176300 947819685 /nfs/dbraw/zinc/81/96/85/947819685.db2.gz PTAKCYZJCWBAKU-MRXNPFEDSA-N 1 0 358.486 1.666 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)cc1F ZINC000844190266 947829441 /nfs/dbraw/zinc/82/94/41/947829441.db2.gz CPCGPGAIKUUIJB-CYBMUJFWSA-N 1 0 357.376 1.728 20 10 FDCDRO CNC(=O)CCSC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844282965 947942543 /nfs/dbraw/zinc/94/25/43/947942543.db2.gz NTOXKGAJBDFKOI-INIZCTEOSA-N 1 0 367.515 1.047 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC000844459222 948078922 /nfs/dbraw/zinc/07/89/22/948078922.db2.gz QVJDUIWZTOVCFH-NXHRZFHOSA-N 1 0 367.440 1.375 20 10 FDCDRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000845001949 948579740 /nfs/dbraw/zinc/57/97/40/948579740.db2.gz ILBKVVALZBUNGZ-INIZCTEOSA-N 1 0 364.490 1.494 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c(O)c1 ZINC001144508362 949736809 /nfs/dbraw/zinc/73/68/09/949736809.db2.gz NNOFOLWYGBEBSP-FOIQADDNSA-N 1 0 372.421 1.864 20 10 FDCDRO Cn1cc(N2CC[C@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)C2=O)cn1 ZINC001144509519 949786159 /nfs/dbraw/zinc/78/61/59/949786159.db2.gz CWWCVNQVSICGTO-SFHVURJKSA-N 1 0 358.398 1.166 20 10 FDCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(O)cc(O)cc4O)C[C@@H]3C2)cn1 ZINC001144509677 949786400 /nfs/dbraw/zinc/78/64/00/949786400.db2.gz HRHTXJDJPCUTDQ-CABCVRRESA-N 1 0 358.442 1.491 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000846150617 950565191 /nfs/dbraw/zinc/56/51/91/950565191.db2.gz KHRZHKSTDQJYJZ-KGLIPLIRSA-N 1 0 372.487 1.540 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000846168170 950597698 /nfs/dbraw/zinc/59/76/98/950597698.db2.gz HTCIWJWNNBMNRS-HNNXBMFYSA-N 1 0 350.459 1.933 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000846177964 950652619 /nfs/dbraw/zinc/65/26/19/950652619.db2.gz GHHSXWQWJAOZHI-QGZVFWFLSA-N 1 0 350.463 1.151 20 10 FDCDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000846188305 950667795 /nfs/dbraw/zinc/66/77/95/950667795.db2.gz NFVOSOWRLPXEIZ-KOLCDFICSA-N 1 0 363.277 1.839 20 10 FDCDRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846329898 950866174 /nfs/dbraw/zinc/86/61/74/950866174.db2.gz OCNAXHIFSNJYJB-UHFFFAOYSA-N 1 0 368.481 1.713 20 10 FDCDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c(F)ccc(O)c1O ZINC000857308903 971711596 /nfs/dbraw/zinc/71/15/96/971711596.db2.gz SDTVFOFGUPLQNE-CQSZACIVSA-N 1 0 360.385 1.734 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000846674685 951438718 /nfs/dbraw/zinc/43/87/18/951438718.db2.gz UCABDOMQZHBNIH-SFHVURJKSA-N 1 0 374.529 1.713 20 10 FDCDRO COCCN(C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778150 951560633 /nfs/dbraw/zinc/56/06/33/951560633.db2.gz RFIFURLACRKNIX-GOSISDBHSA-N 1 0 351.491 1.146 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncc(F)cn3)CC2)cc1 ZINC001197214733 972157216 /nfs/dbraw/zinc/15/72/16/972157216.db2.gz SZBTULVGKMJWPJ-UHFFFAOYSA-N 1 0 373.432 1.566 20 10 FDCDRO COc1ccc(-n2nnnc2C[NH2+]C[C@@H]2CN(C(=O)C3CC3)C[C@H]2C)cc1 ZINC001093604352 958362993 /nfs/dbraw/zinc/36/29/93/958362993.db2.gz UQLDZNKHACGGNE-UKRRQHHQSA-N 1 0 370.457 1.265 20 10 FDCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001175295550 963128442 /nfs/dbraw/zinc/12/84/42/963128442.db2.gz GSNZIFOEYKTOAG-OIISXLGYSA-N 1 0 361.486 1.890 20 10 FDCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000691676200 966726687 /nfs/dbraw/zinc/72/66/87/966726687.db2.gz LXBYYTAJLIGCJJ-LBPRGKRZSA-N 1 0 363.277 1.620 20 10 FDCDRO C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775261132 967009555 /nfs/dbraw/zinc/00/95/55/967009555.db2.gz STGZUNZMOYBOSJ-CYBMUJFWSA-N 1 0 350.419 1.369 20 10 FDCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852698834 967543356 /nfs/dbraw/zinc/54/33/56/967543356.db2.gz PJINMQRDBQZCCE-SFHVURJKSA-N 1 0 374.529 1.948 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000852791467 967609795 /nfs/dbraw/zinc/60/97/95/967609795.db2.gz HWCYZYSCBVPJRP-BSDSXHPESA-N 1 0 358.486 1.564 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000852873553 967681185 /nfs/dbraw/zinc/68/11/85/967681185.db2.gz YNXMOYVZJIFZCX-UHFFFAOYSA-N 1 0 372.513 1.595 20 10 FDCDRO CCN(C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775369709 967683509 /nfs/dbraw/zinc/68/35/09/967683509.db2.gz FUDGXZAKUUYPJV-OLZOCXBDSA-N 1 0 370.471 1.087 20 10 FDCDRO Nc1ccc(CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000852930035 967718006 /nfs/dbraw/zinc/71/80/06/967718006.db2.gz DROHSCUURKXFQT-INIZCTEOSA-N 1 0 368.485 1.350 20 10 FDCDRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775374470 967754826 /nfs/dbraw/zinc/75/48/26/967754826.db2.gz CAQDTADCWQSWAJ-CZUORRHYSA-N 1 0 364.442 1.996 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(C)=NO3)CC2)cc1 ZINC000854308730 968762005 /nfs/dbraw/zinc/76/20/05/968762005.db2.gz BSJWTCGPWCXQHJ-SFHVURJKSA-N 1 0 360.458 1.488 20 10 FDCDRO CN(C)c1ccc(-c2nc(C(=O)N(CCCC[NH3+])C(=N)N)cs2)cc1 ZINC001193176632 969504843 /nfs/dbraw/zinc/50/48/43/969504843.db2.gz UUXXHSXSPZIACG-UHFFFAOYSA-N 1 0 360.487 1.951 20 10 FDCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC000863300527 972775670 /nfs/dbraw/zinc/77/56/70/972775670.db2.gz MQFGBHFHFUPJOM-UHFFFAOYSA-N 1 0 373.457 1.923 20 10 FDCDRO CCC(F)(F)CNC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000863577380 973029170 /nfs/dbraw/zinc/02/91/70/973029170.db2.gz XYSJAFKCBAGERY-INIZCTEOSA-N 1 0 357.445 1.813 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000863968573 973338565 /nfs/dbraw/zinc/33/85/65/973338565.db2.gz KRSIXXGVQKLORE-GOSISDBHSA-N 1 0 364.486 1.500 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(CO)on3)CC2)cc1 ZINC000864616752 973687264 /nfs/dbraw/zinc/68/72/64/973687264.db2.gz KVNHVVZOGTZKIX-UHFFFAOYSA-N 1 0 374.441 1.118 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867302010 973904094 /nfs/dbraw/zinc/90/40/94/973904094.db2.gz HXLMQTSDZLHVNK-FUHWJXTLSA-N 1 0 358.486 1.264 20 10 FDCDRO COC(=O)CCCS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001201920682 975205165 /nfs/dbraw/zinc/20/51/65/975205165.db2.gz AJNYUOFAGYKNRM-UHFFFAOYSA-N 1 0 370.471 1.229 20 10 FDCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000847290884 975424331 /nfs/dbraw/zinc/42/43/31/975424331.db2.gz CDDIVTXRYIJJSE-IYBDPMFKSA-N 1 0 364.465 1.802 20 10 FDCDRO C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000847298104 975432150 /nfs/dbraw/zinc/43/21/50/975432150.db2.gz JRRDRABAAIXRNO-AYOQOUSVSA-N 1 0 374.485 1.045 20 10 FDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000847366660 975538008 /nfs/dbraw/zinc/53/80/08/975538008.db2.gz LBJWZLLEFWVEOA-RDJZCZTQSA-N 1 0 358.486 1.346 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)cc2F)CC1 ZINC000847453515 975644898 /nfs/dbraw/zinc/64/48/98/975644898.db2.gz ATSMLKWXJCCRBZ-CABCVRRESA-N 1 0 362.449 1.095 20 10 FDCDRO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866493923 975721420 /nfs/dbraw/zinc/72/14/20/975721420.db2.gz CSGGURXWTBXFPV-CQSZACIVSA-N 1 0 357.433 1.992 20 10 FDCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc2c(cc1O)CCCC2 ZINC000866553474 975779550 /nfs/dbraw/zinc/77/95/50/975779550.db2.gz MGLGMFPRQZEVNK-XOBRGWDASA-N 1 0 360.454 1.549 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCOc3ccc(C[NH3+])cc32)cc1 ZINC000866668250 975891401 /nfs/dbraw/zinc/89/14/01/975891401.db2.gz OKXLRDADXIPKNQ-UHFFFAOYSA-N 1 0 354.454 1.727 20 10 FDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCS(C)(=O)=O)c1O ZINC000848524580 976889238 /nfs/dbraw/zinc/88/92/38/976889238.db2.gz HDAHTEUIWUCJIC-MRVPVSSYSA-N 1 0 352.250 1.859 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@]3(N)CC3(F)F)CC2)cc1 ZINC000867959799 977143444 /nfs/dbraw/zinc/14/34/44/977143444.db2.gz FKRDOMQPCSTVKA-KRWDZBQOSA-N 1 0 368.428 1.060 20 10 FDCDRO CCc1cccc(C[NH2+]C2(CC(=O)OC)CCS(=O)(=O)CC2)c1O ZINC000848905367 977231380 /nfs/dbraw/zinc/23/13/80/977231380.db2.gz JRHUGUWVLGFRQH-UHFFFAOYSA-N 1 0 355.456 1.555 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])N3CCO[C@H](C)C3)CC2)cc1 ZINC000849095243 977312900 /nfs/dbraw/zinc/31/29/00/977312900.db2.gz OJYSZEATVFOKKT-MRXNPFEDSA-N 1 0 361.490 1.062 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)CC1 ZINC000850355738 978332350 /nfs/dbraw/zinc/33/23/50/978332350.db2.gz JNAIQQIZYCSELM-UHFFFAOYSA-N 1 0 372.494 1.879 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Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1O ZINC000927025858 843328229 /nfs/dbraw/zinc/32/82/29/843328229.db2.gz OWJHKEVZNRYNFT-KOLCDFICSA-N 1 0 366.277 1.519 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000899097703 845760213 /nfs/dbraw/zinc/76/02/13/845760213.db2.gz FOTXJHNVXMRFFU-OKZBNKHCSA-N 1 0 364.490 1.194 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)cc1 ZINC000842229055 845763642 /nfs/dbraw/zinc/76/36/42/845763642.db2.gz HLEDXNWGGWCMLF-UHFFFAOYSA-N 1 0 374.485 1.120 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCN(C3CC3)CC2)[NH+](C)C)cc1 ZINC000899103342 845775691 /nfs/dbraw/zinc/77/56/91/845775691.db2.gz ZRJCQUAUZDLVBE-IBGZPJMESA-N 1 0 359.518 1.845 20 10 FDCDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@@]2(C)C1 ZINC000913284576 861798437 /nfs/dbraw/zinc/79/84/37/861798437.db2.gz PRXSVJNDRNKQGM-IAGOWNOFSA-N 1 0 367.471 1.178 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)cc1F ZINC000905342474 851876705 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0 354.520 1.674 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000910544802 857307705 /nfs/dbraw/zinc/30/77/05/857307705.db2.gz WOURKEUNGWZZEB-OXJNMPFZSA-N 1 0 358.486 1.121 20 10 FDCDRO CCN1CCC([NH+]2CCC(C(=O)NCc3ccc(O)cc3O)CC2)CC1 ZINC000910946962 857958115 /nfs/dbraw/zinc/95/81/15/857958115.db2.gz XGOHXLVRXDGSLY-UHFFFAOYSA-N 1 0 361.486 1.910 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@H]4CC[C@]43C[NH3+])ccc21 ZINC000911112374 858207325 /nfs/dbraw/zinc/20/73/25/858207325.db2.gz OODMBFMFMKRTKC-UZLBHIALSA-N 1 0 356.470 1.025 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911157514 858240080 /nfs/dbraw/zinc/24/00/80/858240080.db2.gz HPYADBGHOZAQGZ-HXUWFJFHSA-N 1 0 354.454 1.034 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911160252 858243805 /nfs/dbraw/zinc/24/38/05/858243805.db2.gz ZQRNVMLAGXTUMZ-KRWDZBQOSA-N 1 0 356.470 1.327 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000911236023 858347633 /nfs/dbraw/zinc/34/76/33/858347633.db2.gz KZDZOVABLPTTFX-HIFRSBDPSA-N 1 0 364.465 1.532 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000911227294 858373477 /nfs/dbraw/zinc/37/34/77/858373477.db2.gz BTNRIERLUKSMRD-RDJZCZTQSA-N 1 0 358.486 1.346 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C)cc1C ZINC001105849122 863495742 /nfs/dbraw/zinc/49/57/42/863495742.db2.gz GZUGVBMGMSFVHV-CRAIPNDOSA-N 1 0 361.486 1.666 20 10 FDCDRO COc1cc(I)cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235998810 882340636 /nfs/dbraw/zinc/34/06/36/882340636.db2.gz ZWJDQFDDJBGNKV-YGRLFVJLSA-N 1 0 374.222 1.929 20 10 FDCDRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000914420416 872822767 /nfs/dbraw/zinc/82/27/67/872822767.db2.gz PMEHWKBONAUJPD-UHFFFAOYSA-N 1 0 373.432 1.678 20 10 FDCDRO CCC[NH+]1CCC(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765976978 873921497 /nfs/dbraw/zinc/92/14/97/873921497.db2.gz DCNHNLQVBJRNQV-UHFFFAOYSA-N 1 0 365.543 1.885 20 10 FDCDRO COC[C@H](OC)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106647511 876382034 /nfs/dbraw/zinc/38/20/34/876382034.db2.gz OSLHUFWTPWDNKC-SUMDDJOVSA-N 1 0 364.486 1.849 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc4[nH]c(=O)[nH]c43)cc2)CC1 ZINC000918839832 884954534 /nfs/dbraw/zinc/95/45/34/884954534.db2.gz WCNUEUJTZNYDDS-UHFFFAOYSA-N 1 0 366.425 1.345 20 10 FDCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)NS(C)(=O)=O ZINC000706799747 886639338 /nfs/dbraw/zinc/63/93/38/886639338.db2.gz DMBIPLZBICCYBZ-UHFFFAOYSA-N 1 0 351.266 1.572 20 10 FDCDRO CN(Cc1c(O)cccc1Br)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000707156912 886770700 /nfs/dbraw/zinc/77/07/00/886770700.db2.gz XTOFIQDVMBIJMF-SNVBAGLBSA-N 1 0 363.277 1.620 20 10 FDCDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920635466 887120966 /nfs/dbraw/zinc/12/09/66/887120966.db2.gz GCYKBIUKGIMYTP-CYBMUJFWSA-N 1 0 356.444 1.795 20 10 FDCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000763467220 888774392 /nfs/dbraw/zinc/77/43/92/888774392.db2.gz QFDQLSPFGWKGIB-SFHVURJKSA-N 1 0 352.450 1.930 20 10 FDCDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057414491 897166663 /nfs/dbraw/zinc/16/66/63/897166663.db2.gz FIQRYOYHFFBJGB-UHFFFAOYSA-N 1 0 366.481 1.928 20 10 FDCDRO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)CC[N@@H+]1C ZINC001089867063 897208255 /nfs/dbraw/zinc/20/82/55/897208255.db2.gz YNBDGPOIRGPKMP-JKSUJKDBSA-N 1 0 361.465 1.989 20 10 FDCDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785426392 903983626 /nfs/dbraw/zinc/98/36/26/903983626.db2.gz XNROVWGNCBIILB-IYBDPMFKSA-N 1 0 360.502 1.748 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc[n+]([O-])cc3)C[C@H]2C)cc1C ZINC001082415598 907647080 /nfs/dbraw/zinc/64/70/80/907647080.db2.gz QWGNTFKTBGLUAL-CRAIPNDOSA-N 1 0 355.438 1.887 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C)cc1C ZINC001082459160 907881044 /nfs/dbraw/zinc/88/10/44/907881044.db2.gz PUWWQXYWVIFMOO-SZVBFZGTSA-N 1 0 361.486 1.271 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)cc1C ZINC001082481113 907952773 /nfs/dbraw/zinc/95/27/73/907952773.db2.gz FKFCQSRKOQOHII-SJLPKXTDSA-N 1 0 361.486 1.272 20 10 FDCDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000785438634 908302408 /nfs/dbraw/zinc/30/24/08/908302408.db2.gz CMHZXZSXOGGQIC-IIBYNOLFSA-N 1 0 374.529 1.996 20 10 FDCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2 ZINC000921575556 908455901 /nfs/dbraw/zinc/45/59/01/908455901.db2.gz SFCLDQBLNVCEMO-INIZCTEOSA-N 1 0 367.497 1.900 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C)cc1C ZINC001082580773 908782363 /nfs/dbraw/zinc/78/23/63/908782363.db2.gz FAGZFRMAGOIAJX-DJIMGWMZSA-N 1 0 359.470 1.609 20 10 FDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000732464208 919639520 /nfs/dbraw/zinc/63/95/20/919639520.db2.gz ZTLZCINIUFUZOS-UONOGXRCSA-N 1 0 351.447 1.872 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734275171 923154474 /nfs/dbraw/zinc/15/44/74/923154474.db2.gz VZFVJQZVWDYBDW-SFHVURJKSA-N 1 0 372.513 1.931 20 10 FDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)N[C@H](C)COC)cc1 ZINC000741678777 925822176 /nfs/dbraw/zinc/82/21/76/925822176.db2.gz YMJZMPFVTPJFPV-OAHLLOKOSA-N 1 0 364.490 1.825 20 10 FDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392864 926039462 /nfs/dbraw/zinc/03/94/62/926039462.db2.gz UBGFJHZOKZBQGK-KXBFYZLASA-N 1 0 369.469 1.540 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000745648334 927333287 /nfs/dbraw/zinc/33/32/87/927333287.db2.gz JRZSXTIWACSWIC-ZBFHGGJFSA-N 1 0 364.465 1.944 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)C[C@H]1C(C)C)cc2=O ZINC000746461983 928056340 /nfs/dbraw/zinc/05/63/40/928056340.db2.gz IQNPGAKMBXTZRR-HNNXBMFYSA-N 1 0 361.446 1.384 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCN(C(C)=O)C3)CC2)cc1 ZINC001169573352 928751597 /nfs/dbraw/zinc/75/15/97/928751597.db2.gz CTMQZOLWDLQMIG-LJQANCHMSA-N 1 0 374.529 1.808 20 10 FDCDRO Cn1nccc1CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000766854581 928926232 /nfs/dbraw/zinc/92/62/32/928926232.db2.gz KVTQOAQLSDFBNF-UHFFFAOYSA-N 1 0 367.497 1.811 20 10 FDCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000771867022 930935240 /nfs/dbraw/zinc/93/52/40/930935240.db2.gz QCZVFTYLVJVHHS-UHFFFAOYSA-N 1 0 371.437 1.832 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000787110334 932165542 /nfs/dbraw/zinc/16/55/42/932165542.db2.gz GZMMALKWANLEHA-VQIMIIECSA-N 1 0 370.497 1.631 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000787674385 932350449 /nfs/dbraw/zinc/35/04/49/932350449.db2.gz CYEYUAPCSQAPHS-KRWDZBQOSA-N 1 0 374.529 1.997 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000788929124 932865262 /nfs/dbraw/zinc/86/52/62/932865262.db2.gz HDAHZPBZKRLNDV-WBVHZDCISA-N 1 0 358.486 1.502 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000788910371 932875247 /nfs/dbraw/zinc/87/52/47/932875247.db2.gz KDTDZKVUYABNJJ-LJQANCHMSA-N 1 0 370.497 1.600 20 10 FDCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788934686 932896619 /nfs/dbraw/zinc/89/66/19/932896619.db2.gz XZLDCIRIOQQJNS-SFHVURJKSA-N 1 0 372.513 1.892 20 10 FDCDRO CCOC(=O)C[C@@H]1OCCc2cc(N(CC[NH3+])CC(=O)OCC)ccc21 ZINC001170995708 945207934 /nfs/dbraw/zinc/20/79/34/945207934.db2.gz UJZMDXZOJXOXQZ-KRWDZBQOSA-N 1 0 364.442 1.582 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000806042387 938879790 /nfs/dbraw/zinc/87/97/90/938879790.db2.gz PQEVMWKMEJSUEH-DOTOQJQBSA-N 1 0 372.513 1.843 20 10 FDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806279716 939878122 /nfs/dbraw/zinc/87/81/22/939878122.db2.gz XXJFYSXLJSFOOT-GFCCVEGCSA-N 1 0 356.517 1.294 20 10 FDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000806328825 939900814 /nfs/dbraw/zinc/90/08/14/939900814.db2.gz KMFLUXNMQICKBZ-KRWDZBQOSA-N 1 0 360.502 1.702 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000807100326 940250098 /nfs/dbraw/zinc/25/00/98/940250098.db2.gz JDWPHMLWTVERLZ-RDTXWAMCSA-N 1 0 358.486 1.276 20 10 FDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807678304 940454042 /nfs/dbraw/zinc/45/40/42/940454042.db2.gz WDOZOMVOSNROLU-HZPDHXFCSA-N 1 0 360.502 1.730 20 10 FDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(O)c1 ZINC000809688141 940886621 /nfs/dbraw/zinc/88/66/21/940886621.db2.gz BYRJJEPMWBAURV-CQSZACIVSA-N 1 0 356.488 1.894 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C)CC2)cc1 ZINC000810074872 940946317 /nfs/dbraw/zinc/94/63/17/940946317.db2.gz BWLNFELZMLRZPY-ICSRJNTNSA-N 1 0 365.518 1.175 20 10 FDCDRO COC(=O)Cn1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000812839747 941282288 /nfs/dbraw/zinc/28/22/88/941282288.db2.gz IFLOYBSGUZEYOP-UHFFFAOYSA-N 1 0 359.430 1.218 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000812865647 941288789 /nfs/dbraw/zinc/28/87/89/941288789.db2.gz QYPPICXKTLPSLQ-HKUYNNGSSA-N 1 0 363.502 1.023 20 10 FDCDRO CCCNS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000813664365 941432569 /nfs/dbraw/zinc/43/25/69/941432569.db2.gz JYELPLOKGQUVFS-UHFFFAOYSA-N 1 0 358.483 1.302 20 10 FDCDRO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000816642395 942284672 /nfs/dbraw/zinc/28/46/72/942284672.db2.gz YKJWOHJLYRUMCI-IBGZPJMESA-N 1 0 357.458 1.444 20 10 FDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888825 943043696 /nfs/dbraw/zinc/04/36/96/943043696.db2.gz PHLDIIGIULOPPP-RDJZCZTQSA-N 1 0 351.422 1.046 20 10 FDCDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892037 943066819 /nfs/dbraw/zinc/06/68/19/943066819.db2.gz JCODFDHMMFJTMK-MSOLQXFVSA-N 1 0 351.516 1.671 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC[NH2+]1 ZINC000817916391 943075771 /nfs/dbraw/zinc/07/57/71/943075771.db2.gz XVLXBPONPUFSKR-OAHLLOKOSA-N 1 0 359.470 1.874 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C[C@H](C)[NH2+]1 ZINC000817915515 943076154 /nfs/dbraw/zinc/07/61/54/943076154.db2.gz NOADVFFDATYDTE-GJZGRUSLSA-N 1 0 371.437 1.723 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000817921980 943079351 /nfs/dbraw/zinc/07/93/51/943079351.db2.gz MINKELKAMOTASB-SJLPKXTDSA-N 1 0 374.529 1.935 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000817922334 943079574 /nfs/dbraw/zinc/07/95/74/943079574.db2.gz UPHCEHZGPUWCNP-WBVHZDCISA-N 1 0 360.502 1.687 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818649556 943316981 /nfs/dbraw/zinc/31/69/81/943316981.db2.gz AZSXZBKVFYVWQR-ZWKOTPCHSA-N 1 0 356.474 1.431 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000818655490 943318445 /nfs/dbraw/zinc/31/84/45/943318445.db2.gz MMRSFCNWQPDHKY-OXJNMPFZSA-N 1 0 358.486 1.917 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC3CCC([NH3+])CC3)C2)cc1 ZINC000818676637 943337716 /nfs/dbraw/zinc/33/77/16/943337716.db2.gz OYXISFXFSSBFEB-FHERZECASA-N 1 0 374.485 1.024 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@@H](C)OC)CC2)cc1 ZINC000819002742 943380117 /nfs/dbraw/zinc/38/01/17/943380117.db2.gz YQPIFFDHPHQEPT-AEFFLSMTSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)CCSC)CC2)cc1 ZINC000819088598 943414689 /nfs/dbraw/zinc/41/46/89/943414689.db2.gz USKDOOCBNYSGGT-SJLPKXTDSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000819133420 943433908 /nfs/dbraw/zinc/43/39/08/943433908.db2.gz MXWYZCWITHQHMS-WMZOPIPTSA-N 1 0 365.543 1.663 20 10 FDCDRO C[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)C[NH+]1CCN(C)CC1 ZINC000819163965 943455755 /nfs/dbraw/zinc/45/57/55/943455755.db2.gz CWCZMIZYVALDFB-HNNXBMFYSA-N 1 0 360.458 1.040 20 10 FDCDRO CCOC(C)(C)C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819248972 943482437 /nfs/dbraw/zinc/48/24/37/943482437.db2.gz DZQUXLIPCBGWDH-SFHVURJKSA-N 1 0 365.518 1.583 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3(OC)CCC3)CC2)cc1 ZINC000819215925 943490566 /nfs/dbraw/zinc/49/05/66/943490566.db2.gz AXFLZAREYCMWIX-SFHVURJKSA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3CC(F)(F)C3)CC2)cc1 ZINC000819264488 943517262 /nfs/dbraw/zinc/51/72/62/943517262.db2.gz VNIVHRJWTMGJDC-MRXNPFEDSA-N 1 0 355.429 1.565 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000819585501 943635048 /nfs/dbraw/zinc/63/50/48/943635048.db2.gz FWOPJJFBNOYWMW-QFBILLFUSA-N 1 0 358.486 1.028 20 10 FDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000819697293 943695656 /nfs/dbraw/zinc/69/56/56/943695656.db2.gz VABKAMVOBFWGAX-OAHLLOKOSA-N 1 0 366.483 1.721 20 10 FDCDRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3ccccc3O)cc21 ZINC000821055647 944319158 /nfs/dbraw/zinc/31/91/58/944319158.db2.gz PBINZTHEEVWBBY-UHFFFAOYSA-N 1 0 354.410 1.939 20 10 FDCDRO C[NH+](C)CC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000823510203 945818808 /nfs/dbraw/zinc/81/88/08/945818808.db2.gz TULXXQBWVUTKKE-UHFFFAOYSA-N 1 0 353.413 1.759 20 10 FDCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCO1 ZINC000823851285 946047487 /nfs/dbraw/zinc/04/74/87/946047487.db2.gz IDJYXOAKBBMBHS-SJLPKXTDSA-N 1 0 352.500 1.969 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCNc3cc[nH+]cc3)C2)cc1 ZINC000824692344 946692275 /nfs/dbraw/zinc/69/22/75/946692275.db2.gz BRZXKIZMBYTJQQ-MRXNPFEDSA-N 1 0 369.469 1.750 20 10 FDCDRO COc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000824849379 946840712 /nfs/dbraw/zinc/84/07/12/946840712.db2.gz GCGKAYYZPRSBIF-INIZCTEOSA-N 1 0 366.502 1.823 20 10 FDCDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825173453 947002592 /nfs/dbraw/zinc/00/25/92/947002592.db2.gz MMRQITIJMYDFMS-UHFFFAOYSA-N 1 0 351.266 1.574 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825267054 947099146 /nfs/dbraw/zinc/09/91/46/947099146.db2.gz PSZALTOTLBGXMW-SJLPKXTDSA-N 1 0 350.484 1.579 20 10 FDCDRO Cn1ccnc1CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775681314 971374178 /nfs/dbraw/zinc/37/41/78/971374178.db2.gz OTFABKQNKGQXPO-UHFFFAOYSA-N 1 0 368.529 1.490 20 10 FDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCCC1 ZINC000844174372 947817648 /nfs/dbraw/zinc/81/76/48/947817648.db2.gz YUILYIACFZIFDJ-UHFFFAOYSA-N 1 0 365.499 1.199 20 10 FDCDRO C[C@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]C1 ZINC000844175991 947817703 /nfs/dbraw/zinc/81/77/03/947817703.db2.gz OIMUEKFCDYOYJS-UZLBHIALSA-N 1 0 358.486 1.394 20 10 FDCDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844175430 947818582 /nfs/dbraw/zinc/81/85/82/947818582.db2.gz HXJHXYPYPGJARN-WMZOPIPTSA-N 1 0 372.513 1.783 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1F ZINC000844190267 947829093 /nfs/dbraw/zinc/82/90/93/947829093.db2.gz CPCGPGAIKUUIJB-ZDUSSCGKSA-N 1 0 357.376 1.728 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000844224214 947859082 /nfs/dbraw/zinc/85/90/82/947859082.db2.gz DLRVQTKQLHSQLY-LPHOPBHVSA-N 1 0 358.486 1.028 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000844224220 947859411 /nfs/dbraw/zinc/85/94/11/947859411.db2.gz DLRVQTKQLHSQLY-VQIMIIECSA-N 1 0 358.486 1.028 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN[C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000844227116 947862736 /nfs/dbraw/zinc/86/27/36/947862736.db2.gz SZQOHOZYMFZEMX-FQEVSTJZSA-N 1 0 374.529 1.841 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857101865 971581003 /nfs/dbraw/zinc/58/10/03/971581003.db2.gz MNSOBZJOUPMIMK-HZUJVAHNSA-N 1 0 372.513 1.448 20 10 FDCDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000857102678 971581314 /nfs/dbraw/zinc/58/13/14/971581314.db2.gz JBUXDNBNLGZQOH-UZLBHIALSA-N 1 0 356.470 1.243 20 10 FDCDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000845834858 950010183 /nfs/dbraw/zinc/01/01/83/950010183.db2.gz SMIQWRUDXIOIIH-ZDUSSCGKSA-N 1 0 367.446 1.559 20 10 FDCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846036076 950392942 /nfs/dbraw/zinc/39/29/42/950392942.db2.gz WUSKYUUNLIUHPP-GFCCVEGCSA-N 1 0 363.277 1.587 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846346620 950973170 /nfs/dbraw/zinc/97/31/70/950973170.db2.gz BGSGMMUGOZCQEU-UHFFFAOYSA-N 1 0 374.529 1.997 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672024 951435904 /nfs/dbraw/zinc/43/59/04/951435904.db2.gz ATJJOTZJVBSDRX-MSOLQXFVSA-N 1 0 361.461 1.934 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846672025 951436106 /nfs/dbraw/zinc/43/61/06/951436106.db2.gz ATJJOTZJVBSDRX-QZTJIDSGSA-N 1 0 361.461 1.934 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000774217725 961896627 /nfs/dbraw/zinc/89/66/27/961896627.db2.gz PHTBRFSEJIOJCF-QGTPRVQTSA-N 1 0 358.486 1.625 20 10 FDCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3N)c2)CC1 ZINC001212716988 961973760 /nfs/dbraw/zinc/97/37/60/961973760.db2.gz LDOWADPEGGYFIW-UHFFFAOYSA-N 1 0 364.446 1.961 20 10 FDCDRO CC[N@H+](CCO)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000249727271 1013331948 /nfs/dbraw/zinc/33/19/48/1013331948.db2.gz QVVCUTXZVFYFSY-GJZGRUSLSA-N 1 0 367.465 1.370 20 10 FDCDRO COc1c(O)c(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001184125318 963438071 /nfs/dbraw/zinc/43/80/71/963438071.db2.gz QQKNZSFJNJQAHI-NSHDSACASA-N 1 0 369.374 1.950 20 10 FDCDRO CN(c1cnn(CCC[NH+](C)C)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001187117380 964994293 /nfs/dbraw/zinc/99/42/93/964994293.db2.gz BAHSUQAXKJYAAO-UHFFFAOYSA-N 1 0 365.503 1.426 20 10 FDCDRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258036 967015793 /nfs/dbraw/zinc/01/57/93/967015793.db2.gz PFXPRHKQRHVXJJ-HNNXBMFYSA-N 1 0 362.474 1.800 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000775258390 967020566 /nfs/dbraw/zinc/02/05/66/967020566.db2.gz ZHJIOBREVMNLEI-DBVUQKKJSA-N 1 0 364.486 1.730 20 10 FDCDRO CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000852180930 967062930 /nfs/dbraw/zinc/06/29/30/967062930.db2.gz VPQKUGSQDPXSDZ-UHFFFAOYSA-N 1 0 360.502 1.931 20 10 FDCDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852560755 967426174 /nfs/dbraw/zinc/42/61/74/967426174.db2.gz COUHVHBUHZGWPX-WMLDXEAASA-N 1 0 365.449 1.124 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(C)c2Br)cc1 ZINC000852792084 967610094 /nfs/dbraw/zinc/61/00/94/967610094.db2.gz RBPOFFRLXOPTFJ-ZDUSSCGKSA-N 1 0 366.263 1.678 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)cc1 ZINC000852844012 967650511 /nfs/dbraw/zinc/65/05/11/967650511.db2.gz MWPWKEDRIDBAGA-CQSZACIVSA-N 1 0 370.457 1.220 20 10 FDCDRO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000852859971 967665154 /nfs/dbraw/zinc/66/51/54/967665154.db2.gz GKTFYKLQVKHGID-JOCQHMNTSA-N 1 0 357.376 1.896 20 10 FDCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000852916742 967706251 /nfs/dbraw/zinc/70/62/51/967706251.db2.gz DTZOKHQHRYTSKR-UHFFFAOYSA-N 1 0 372.469 1.682 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853781563 968314914 /nfs/dbraw/zinc/31/49/14/968314914.db2.gz OFJPTRWHHKEPIA-SFHVURJKSA-N 1 0 360.502 1.931 20 10 FDCDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000854231816 968702247 /nfs/dbraw/zinc/70/22/47/968702247.db2.gz NGHIPXCNGNGMIU-GFCCVEGCSA-N 1 0 361.421 1.467 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C2)cc1 ZINC000854300547 968748084 /nfs/dbraw/zinc/74/80/84/968748084.db2.gz VLZLNFRRCNDXJS-FUHWJXTLSA-N 1 0 356.470 1.930 20 10 FDCDRO O=S1(=O)CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925488389 969047869 /nfs/dbraw/zinc/04/78/69/969047869.db2.gz SVWDUDLUTVCLQE-GOSISDBHSA-N 1 0 363.527 1.686 20 10 FDCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855897697 970757340 /nfs/dbraw/zinc/75/73/40/970757340.db2.gz FRSCAOMCERLUMS-ZDUSSCGKSA-N 1 0 369.487 1.614 20 10 FDCDRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830647 972876756 /nfs/dbraw/zinc/87/67/56/972876756.db2.gz LUOUOVYSJXYWNI-ZDUSSCGKSA-N 1 0 373.457 1.952 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCNC3=O)cc2F)CC1 ZINC000865202281 974182184 /nfs/dbraw/zinc/18/21/84/974182184.db2.gz PBJVZKKKLRHAKQ-HNNXBMFYSA-N 1 0 362.449 1.110 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(C)n3)cc2F)CC1 ZINC000106702145 975381038 /nfs/dbraw/zinc/38/10/38/975381038.db2.gz ZKAHTQLCPWURRP-UHFFFAOYSA-N 1 0 357.433 1.996 20 10 FDCDRO CC[C@](C)(CO)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000847301341 975439127 /nfs/dbraw/zinc/43/91/27/975439127.db2.gz YWWRVAXHWHSQHC-HXUWFJFHSA-N 1 0 363.502 1.732 20 10 FDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]23COCCN2C(=O)COC3)c2c1c(F)ccc2O ZINC000866554135 975781247 /nfs/dbraw/zinc/78/12/47/975781247.db2.gz PRKSYZBDXZYIEV-BVRBVLIYSA-N 1 0 350.390 1.297 20 10 FDCDRO COc1ccc(N2CCC(NS(=O)(=O)CCC[NH+](C)C)CC2)cc1 ZINC000866710835 975943034 /nfs/dbraw/zinc/94/30/34/975943034.db2.gz WFSXPXZILZMZNV-UHFFFAOYSA-N 1 0 355.504 1.535 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715557 975951971 /nfs/dbraw/zinc/95/19/71/975951971.db2.gz CUIIAXBBYIQXLT-FXAWDEMLSA-N 1 0 372.513 1.418 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866744165 975985010 /nfs/dbraw/zinc/98/50/10/975985010.db2.gz JORVPMRNONEAIM-UHFFFAOYSA-N 1 0 354.520 1.503 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848411529 976722501 /nfs/dbraw/zinc/72/25/01/976722501.db2.gz RCBYDJMNJGBLHE-CTNGQTDRSA-N 1 0 357.498 1.901 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848426900 976727525 /nfs/dbraw/zinc/72/75/25/976727525.db2.gz QMDFOCOJGSZMCI-KDOFPFPSSA-N 1 0 366.845 1.937 20 10 FDCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000848596362 976932645 /nfs/dbraw/zinc/93/26/45/976932645.db2.gz VPJJVUFOTANSFL-OAHLLOKOSA-N 1 0 374.407 1.584 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC4(CC4(F)F)C3)CC2)cc1 ZINC000848674214 976989812 /nfs/dbraw/zinc/98/98/12/976989812.db2.gz OYCOAOHLFFOMBR-INIZCTEOSA-N 1 0 367.440 1.519 20 10 FDCDRO CCc1cccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000848899275 977228506 /nfs/dbraw/zinc/22/85/06/977228506.db2.gz MGFPFAGJQNLJCH-CQSZACIVSA-N 1 0 355.481 1.941 20 10 FDCDRO CCc1cccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1O ZINC000848905693 977231732 /nfs/dbraw/zinc/23/17/32/977231732.db2.gz NCOZQWITGACMOM-UHFFFAOYSA-N 1 0 352.500 1.649 20 10 FDCDRO [NH2+]=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCSCC1 ZINC000849115732 977328230 /nfs/dbraw/zinc/32/82/30/977328230.db2.gz BTOVXOBNBKHTLI-UHFFFAOYSA-N 1 0 356.442 1.875 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000868421427 977634661 /nfs/dbraw/zinc/63/46/61/977634661.db2.gz KVFOOUADIBQJPB-RBUKOAKNSA-N 1 0 372.513 1.844 20 10 FDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849485895 977679634 /nfs/dbraw/zinc/67/96/34/977679634.db2.gz IRFNLAVKQWUYBL-OALUTQOASA-N 1 0 355.486 1.838 20 10 FDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849485897 977679706 /nfs/dbraw/zinc/67/97/06/977679706.db2.gz IRFNLAVKQWUYBL-RBUKOAKNSA-N 1 0 355.486 1.838 20 10 FDCDRO [NH3+][C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000851661957 978988278 /nfs/dbraw/zinc/98/82/78/978988278.db2.gz QQUZAGKHGYTGAI-IUODEOHRSA-N 1 0 372.391 1.382 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000851666659 978990026 /nfs/dbraw/zinc/99/00/26/978990026.db2.gz JNQIZGMNWJAWAU-IAOVAPTHSA-N 1 0 350.438 1.602 20 10 FDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C[NH3+])C1 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ZINC000278098148 675092772 /nfs/dbraw/zinc/09/27/72/675092772.db2.gz QNINEBCSUCVPSY-QFBILLFUSA-N 1 0 352.475 1.367 20 10 FDCDRO CN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154086830 671914541 /nfs/dbraw/zinc/91/45/41/671914541.db2.gz ZXYRIMGQYJYSCC-UHFFFAOYSA-N 1 0 359.392 1.976 20 10 FDCDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000238154383 672434271 /nfs/dbraw/zinc/43/42/71/672434271.db2.gz XQJLBVMMKQIEAA-CQSZACIVSA-N 1 0 367.490 1.498 20 10 FDCDRO CCCOc1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(O)c1 ZINC000289391779 676128378 /nfs/dbraw/zinc/12/83/78/676128378.db2.gz NPFQEOUTFJHIAJ-UHFFFAOYSA-N 1 0 356.488 1.942 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)CCSC)cc2F)CC1 ZINC000294742604 676396817 /nfs/dbraw/zinc/39/68/17/676396817.db2.gz WSOLXFBEZYTOLM-QGZVFWFLSA-N 1 0 369.506 1.698 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000294902647 676398336 /nfs/dbraw/zinc/39/83/36/676398336.db2.gz XJWBWHKFXGYNQO-AWEZNQCLSA-N 1 0 366.405 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ZINC000891384731 776454242 /nfs/dbraw/zinc/45/42/42/776454242.db2.gz JQVNHALYBGBTDQ-UHFFFAOYSA-N 1 0 362.449 1.828 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891386581 776514939 /nfs/dbraw/zinc/51/49/39/776514939.db2.gz XSNPAWAJSLWMOK-IEBWSBKVSA-N 1 0 362.449 1.746 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891386580 776515038 /nfs/dbraw/zinc/51/50/38/776515038.db2.gz XSNPAWAJSLWMOK-HKUYNNGSSA-N 1 0 362.449 1.746 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH2+]CCC12CCC2 ZINC000891414344 776959693 /nfs/dbraw/zinc/95/96/93/776959693.db2.gz IPBDMZGBUGKUAL-UHFFFAOYSA-N 1 0 358.486 1.951 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)c(OC)c1 ZINC000892017708 781236300 /nfs/dbraw/zinc/23/63/00/781236300.db2.gz FOBDBYWULQCFQF-HNNXBMFYSA-N 1 0 350.463 1.519 20 10 FDCDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000277291878 781348775 /nfs/dbraw/zinc/34/87/75/781348775.db2.gz BUKDAYQGAFZPGS-YOEHRIQHSA-N 1 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COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@]3(C)CO)CC2)cc1 ZINC000759895385 796071705 /nfs/dbraw/zinc/07/17/05/796071705.db2.gz SCVSWHLPGQDUKE-UYAOXDASSA-N 1 0 363.502 1.025 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497818 819864444 /nfs/dbraw/zinc/86/44/44/819864444.db2.gz CUQFRFRVVWBDNB-MOPGFXCFSA-N 1 0 374.485 1.186 20 10 FDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC000983903395 819997113 /nfs/dbraw/zinc/99/71/13/819997113.db2.gz FMOJVTQJKGOHKR-XPYUAMARSA-N 1 0 362.470 1.792 20 10 FDCDRO CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[n-]1 ZINC000895232342 821990199 /nfs/dbraw/zinc/99/01/99/821990199.db2.gz DBQAGBOUPFNJSY-CQSZACIVSA-N 1 0 372.473 1.584 20 10 FDCDRO CO[C@@H]1COC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895329161 822488529 /nfs/dbraw/zinc/48/85/29/822488529.db2.gz JKXZBOGVOCCCKS-GVDBMIGSSA-N 1 0 350.463 1.068 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCNC2=O)[NH+](C)C)cc1 ZINC000895329007 822488655 /nfs/dbraw/zinc/48/86/55/822488655.db2.gz OTQRGSGKOOEBJZ-DOTOQJQBSA-N 1 0 361.490 1.181 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1OC ZINC000895566459 822658528 /nfs/dbraw/zinc/65/85/28/822658528.db2.gz CEDPDYUJCAMWRU-LJQANCHMSA-N 1 0 366.458 1.115 20 10 FDCDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895876379 822777029 /nfs/dbraw/zinc/77/70/29/822777029.db2.gz FBDDYGOKNHINAK-INIZCTEOSA-N 1 0 360.502 1.789 20 10 FDCDRO CNC(=O)C1([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCOCC1 ZINC000895884040 822783571 /nfs/dbraw/zinc/78/35/71/822783571.db2.gz GZVKQBZWWKMJEQ-UHFFFAOYSA-N 1 0 358.442 1.325 20 10 FDCDRO COc1ccc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000896303585 824289422 /nfs/dbraw/zinc/28/94/22/824289422.db2.gz AKJKGZIUIJVPRR-UHFFFAOYSA-N 1 0 350.440 1.610 20 10 FDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897063915 826868432 /nfs/dbraw/zinc/86/84/32/826868432.db2.gz WSVLGPOFJGTTTG-NSHDSACASA-N 1 0 365.421 1.882 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000527160410 828974653 /nfs/dbraw/zinc/97/46/53/828974653.db2.gz GBLJYQMGVJQHRB-HNNXBMFYSA-N 1 0 357.502 1.922 20 10 FDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245747694 835644741 /nfs/dbraw/zinc/64/47/41/835644741.db2.gz SVUWNABIBMVMOZ-AZGCOUAMSA-N 1 0 368.433 1.863 20 10 FDCDRO O=C(C(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCCC1 ZINC000054545072 839894528 /nfs/dbraw/zinc/89/45/28/839894528.db2.gz RTFZMAGCFXWWKU-UHFFFAOYSA-N 1 0 367.449 1.812 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)cc1 ZINC000898007486 840660278 /nfs/dbraw/zinc/66/02/78/840660278.db2.gz RVEZIXNDABXAAO-YJBOKZPZSA-N 1 0 359.470 1.358 20 10 FDCDRO CC(C)[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898329212 840967365 /nfs/dbraw/zinc/96/73/65/840967365.db2.gz LIMBKIUUDCNRAH-MRXNPFEDSA-N 1 0 360.502 1.558 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 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LTMSVBMWJIABRC-TXEJJXNPSA-N 1 0 352.410 1.114 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNCc3cscn3)CC2)cc1 ZINC000818987675 943373993 /nfs/dbraw/zinc/37/39/93/943373993.db2.gz HAZFBFSXHLVINQ-QGZVFWFLSA-N 1 0 362.499 1.424 20 10 FDCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2F)C[C@H](C)O1 ZINC000818967303 943385115 /nfs/dbraw/zinc/38/51/15/943385115.db2.gz SMCXAXABEOVCDU-UXLLHSPISA-N 1 0 362.449 1.787 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCOC3CCC3)CC2)cc1 ZINC000819121771 943449522 /nfs/dbraw/zinc/44/95/22/943449522.db2.gz ZKKIZADWTKEYBX-SFHVURJKSA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000819171421 943460314 /nfs/dbraw/zinc/46/03/14/943460314.db2.gz WHKYKPUMEUWHEL-DOTOQJQBSA-N 1 0 369.456 1.956 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000819246164 943481567 /nfs/dbraw/zinc/48/15/67/943481567.db2.gz DJVGOQHVOILVTD-ICSRJNTNSA-N 1 0 361.486 1.460 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C3CC(F)(F)C3)CC2)cc1 ZINC000819264487 943517443 /nfs/dbraw/zinc/51/74/43/943517443.db2.gz VNIVHRJWTMGJDC-INIZCTEOSA-N 1 0 355.429 1.565 20 10 FDCDRO CN1CC[NH+](C[C@@H](O)CNc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000819427306 943582669 /nfs/dbraw/zinc/58/26/69/943582669.db2.gz SESJKONJCBSLAV-ROUUACIJSA-N 1 0 363.502 1.655 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000822538812 945051030 /nfs/dbraw/zinc/05/10/30/945051030.db2.gz ACKVITDGWCGACJ-PKOBYXMFSA-N 1 0 372.513 1.654 20 10 FDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523467 945796541 /nfs/dbraw/zinc/79/65/41/945796541.db2.gz FWYHYAFEFYDXLQ-KRWDZBQOSA-N 1 0 360.502 1.883 20 10 FDCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)cc1O ZINC000824912852 946854131 /nfs/dbraw/zinc/85/41/31/946854131.db2.gz BKTUHPJNSLSTEV-UHFFFAOYSA-N 1 0 363.277 1.622 20 10 FDCDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCOCC1 ZINC000825327229 947149760 /nfs/dbraw/zinc/14/97/60/947149760.db2.gz WQNLIMMJSFMGDI-CYBMUJFWSA-N 1 0 357.248 1.882 20 10 FDCDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000844177028 947818853 /nfs/dbraw/zinc/81/88/53/947818853.db2.gz YGVIBVXCOUZAOA-CJNGLKHVSA-N 1 0 353.413 1.945 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3nonc3C)CC2)cc1 ZINC000845110320 948690705 /nfs/dbraw/zinc/69/07/05/948690705.db2.gz VINLNZPRPNHROK-UHFFFAOYSA-N 1 0 373.457 1.258 20 10 FDCDRO Oc1ccc(Br)cc1CNc1nccc(N2CC[NH2+]CC2)n1 ZINC001171168195 948792737 /nfs/dbraw/zinc/79/27/37/948792737.db2.gz POXRRJKIKCSUHB-UHFFFAOYSA-N 1 0 364.247 1.966 20 10 FDCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499790 949696539 /nfs/dbraw/zinc/69/65/39/949696539.db2.gz JGACAJRIUYGDNH-CMPLNLGQSA-N 1 0 354.403 1.263 20 10 FDCDRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715296 971675920 /nfs/dbraw/zinc/67/59/20/971675920.db2.gz YXWVOWCGIMRAKN-CVEARBPZSA-N 1 0 351.516 1.446 20 10 FDCDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000846184314 950664061 /nfs/dbraw/zinc/66/40/61/950664061.db2.gz KDKIVGLGMVRZAP-ONGXEEELSA-N 1 0 363.277 1.839 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846328358 950935523 /nfs/dbraw/zinc/93/55/23/950935523.db2.gz ATANTJNZLLBKOW-HNNXBMFYSA-N 1 0 360.502 1.353 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001144848300 951208826 /nfs/dbraw/zinc/20/88/26/951208826.db2.gz KRYWIWIRVUQZDB-VIKVFOODSA-N 1 0 361.492 1.093 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)CC[NH+](C)C ZINC000846673701 951438772 /nfs/dbraw/zinc/43/87/72/951438772.db2.gz XYHBKCWDNWIGLW-CYBMUJFWSA-N 1 0 358.280 1.782 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000846663394 951447138 /nfs/dbraw/zinc/44/71/38/951447138.db2.gz HPEDWEXBHUCYEB-CRAIPNDOSA-N 1 0 370.453 1.510 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000846734720 951515709 /nfs/dbraw/zinc/51/57/09/951515709.db2.gz NTWCVKFVMPDBFW-INIZCTEOSA-N 1 0 360.502 1.874 20 10 FDCDRO COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844879 951647930 /nfs/dbraw/zinc/64/79/30/951647930.db2.gz IWJLUDARYWYKNW-LPHOPBHVSA-N 1 0 351.491 1.113 20 10 FDCDRO O=C(c1cccc(O)c1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001148212163 952647124 /nfs/dbraw/zinc/64/71/24/952647124.db2.gz PDRSUFFPGCPBGC-UHFFFAOYSA-N 1 0 367.365 1.369 20 10 FDCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCOCC1 ZINC000773408559 962959937 /nfs/dbraw/zinc/95/99/37/962959937.db2.gz RKEQEDZSTOZCDI-OAHLLOKOSA-N 1 0 368.861 1.668 20 10 FDCDRO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C)cc12 ZINC001184362320 963543844 /nfs/dbraw/zinc/54/38/44/963543844.db2.gz PNWWZGCBXTUDHM-ZDUSSCGKSA-N 1 0 361.442 1.305 20 10 FDCDRO CN1CC[N@H+](C)C[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001185245379 963878845 /nfs/dbraw/zinc/87/88/45/963878845.db2.gz UPIUBYJJWMGKCM-NWPGUURUSA-N 1 0 353.430 1.851 20 10 FDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000773813344 964841204 /nfs/dbraw/zinc/84/12/04/964841204.db2.gz TXVBCCUBVPGYJL-BXWFABGCSA-N 1 0 352.475 1.586 20 10 FDCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCN1c1nccn2cnnc12 ZINC001179980844 965051299 /nfs/dbraw/zinc/05/12/99/965051299.db2.gz SIBYBFPUXNKXRY-LLVKDONJSA-N 1 0 360.368 1.819 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@]3(C)COC[C@]3(C)C1)cc2=O ZINC000852463322 967347045 /nfs/dbraw/zinc/34/70/45/967347045.db2.gz PADRRPZTLNOSLU-HDICACEKSA-N 1 0 360.414 1.470 20 10 FDCDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265958716 967528423 /nfs/dbraw/zinc/52/84/23/967528423.db2.gz WQIOWLGYTAHFDY-GOSISDBHSA-N 1 0 371.485 1.202 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nn(C)cc2Br)cc1 ZINC000852791560 967609807 /nfs/dbraw/zinc/60/98/07/967609807.db2.gz JJSXDKUSEJAXBQ-ZDUSSCGKSA-N 1 0 366.263 1.678 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3[NH2+]CCC3(C)C)CC2)cc1 ZINC000852872160 967679005 /nfs/dbraw/zinc/67/90/05/967679005.db2.gz BUSSLTJVIFCANT-GOSISDBHSA-N 1 0 360.502 1.322 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852916267 967704912 /nfs/dbraw/zinc/70/49/12/967704912.db2.gz BEQTXHAGWNOYAP-QGZVFWFLSA-N 1 0 371.403 1.806 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000852917483 967706086 /nfs/dbraw/zinc/70/60/86/967706086.db2.gz MKSNJWPBYQABES-UHFFFAOYSA-N 1 0 358.486 1.441 20 10 FDCDRO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376326 967766084 /nfs/dbraw/zinc/76/60/84/967766084.db2.gz STEJWYIMKQELQY-ORAYPTAESA-N 1 0 371.437 1.655 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853065304 967797527 /nfs/dbraw/zinc/79/75/27/967797527.db2.gz XSSGKYBPPBYFOU-GOSISDBHSA-N 1 0 361.467 1.140 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)c3ccccn3)CC2)cc1 ZINC000853097481 967828915 /nfs/dbraw/zinc/82/89/15/967828915.db2.gz DSXNTZNEGDCKHC-HXUWFJFHSA-N 1 0 356.470 1.535 20 10 FDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000775421836 968174492 /nfs/dbraw/zinc/17/44/92/968174492.db2.gz KGGVGEJTYXUOPL-INIZCTEOSA-N 1 0 365.543 1.741 20 10 FDCDRO C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000854003902 968520358 /nfs/dbraw/zinc/52/03/58/968520358.db2.gz NGEJTRFQGDEIRT-HNNXBMFYSA-N 1 0 363.506 1.475 20 10 FDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000855402777 970335889 /nfs/dbraw/zinc/33/58/89/970335889.db2.gz HNLCLHVGXZFCKR-JHTBKMLMSA-N 1 0 368.433 1.994 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@H]3CCCOC3)CC2)cc1 ZINC000796196432 1014041073 /nfs/dbraw/zinc/04/10/73/1014041073.db2.gz DYJSLENBGNXCBE-RBUKOAKNSA-N 1 0 363.502 1.289 20 10 FDCDRO Cc1cc(C(=O)CN(C)CCOCC[NH3+])c(C)n1-c1ccc2c(c1)OCO2 ZINC000863555136 973012308 /nfs/dbraw/zinc/01/23/08/973012308.db2.gz OALAFGNYEUTWBE-UHFFFAOYSA-N 1 0 373.453 1.913 20 10 FDCDRO COc1c([O-])c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000863651892 973092949 /nfs/dbraw/zinc/09/29/49/973092949.db2.gz JOTAXBXUPCPPLV-HNNXBMFYSA-N 1 0 365.430 1.900 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863762585 973188036 /nfs/dbraw/zinc/18/80/36/973188036.db2.gz XGNQXTMOHUENJK-OYRHEFFESA-N 1 0 373.497 1.979 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000863835085 973255775 /nfs/dbraw/zinc/25/57/75/973255775.db2.gz QFIUQKLYNZXSQS-FQEVSTJZSA-N 1 0 369.465 1.632 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864635098 973707253 /nfs/dbraw/zinc/70/72/53/973707253.db2.gz RSXDRKKKFHGHLC-UHFFFAOYSA-N 1 0 371.485 1.554 20 10 FDCDRO Cc1cc(Br)cc(C[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000775981502 974307599 /nfs/dbraw/zinc/30/75/99/974307599.db2.gz DDCJOPLNJUSNOW-UHFFFAOYSA-N 1 0 365.293 1.834 20 10 FDCDRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000865742624 974453827 /nfs/dbraw/zinc/45/38/27/974453827.db2.gz TUVBPDGWNPGFBG-ZIAGYGMSSA-N 1 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ZINC000848594463 976931906 /nfs/dbraw/zinc/93/19/06/976931906.db2.gz CHGYEDWNCAUBNT-AWEZNQCLSA-N 1 0 360.380 1.807 20 10 FDCDRO C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000868229027 977365258 /nfs/dbraw/zinc/36/52/58/977365258.db2.gz KUMCVBYRLXBALO-AWEZNQCLSA-N 1 0 362.474 1.695 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000868350280 977516587 /nfs/dbraw/zinc/51/65/87/977516587.db2.gz HUSZRRQVMUSUKH-UHFFFAOYSA-N 1 0 362.474 1.630 20 10 FDCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CS1(=O)=O ZINC000850370030 978342601 /nfs/dbraw/zinc/34/26/01/978342601.db2.gz YWSUVFWRNVXAAE-UKRRQHHQSA-N 1 0 356.463 1.718 20 10 FDCDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405995 978361526 /nfs/dbraw/zinc/36/15/26/978361526.db2.gz NMMPQRFWJBPMCS-UHFFFAOYSA-N 1 0 353.466 1.965 20 10 FDCDRO CN(C)C(=O)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406473 978361803 /nfs/dbraw/zinc/36/18/03/978361803.db2.gz HPCSSZIRHIYFJA-UHFFFAOYSA-N 1 0 360.502 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FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)c(OC)c1 ZINC000892095286 781512182 /nfs/dbraw/zinc/51/21/82/781512182.db2.gz VYPVTIFKERUWST-GOEBONIOSA-N 1 0 362.474 1.533 20 10 FDCDRO COCCO[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179340396 783814604 /nfs/dbraw/zinc/81/46/04/783814604.db2.gz CKBAWBNQGSHPQW-LJQANCHMSA-N 1 0 363.502 1.838 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC3(OC)OC)CC2)cc1 ZINC000924579911 787819063 /nfs/dbraw/zinc/81/90/63/787819063.db2.gz NJQLTEWUECQMHJ-LJQANCHMSA-N 1 0 363.502 1.948 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000162963514 787963168 /nfs/dbraw/zinc/96/31/68/787963168.db2.gz WFBCHHLIPCIKEM-HOCLYGCPSA-N 1 0 365.449 1.293 20 10 FDCDRO CCOc1cccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1O ZINC000893549971 806209513 /nfs/dbraw/zinc/20/95/13/806209513.db2.gz GDHBPRKUIZHHEC-UHFFFAOYSA-N 1 0 361.446 1.277 20 10 FDCDRO COC[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893121200 793086967 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ZINC000895413089 822589240 /nfs/dbraw/zinc/58/92/40/822589240.db2.gz KWUDWWVIQQXVBZ-INIZCTEOSA-N 1 0 361.490 1.310 20 10 FDCDRO COC(=O)[C@@]1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1S(C)(=O)=O ZINC000895510985 822632860 /nfs/dbraw/zinc/63/28/60/822632860.db2.gz WZTPVBKGPXMHQC-OZZQIWQLSA-N 1 0 366.483 1.332 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895685390 822704665 /nfs/dbraw/zinc/70/46/65/822704665.db2.gz LIHUYPDQPIXWSM-FQEVSTJZSA-N 1 0 360.546 1.947 20 10 FDCDRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC[N@H+](C)C1 ZINC000840303000 822778327 /nfs/dbraw/zinc/77/83/27/822778327.db2.gz XGUYNVPBBOKEKG-MRXNPFEDSA-N 1 0 362.474 1.307 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2CCN(C)CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000897099581 827004093 /nfs/dbraw/zinc/00/40/93/827004093.db2.gz NZGVFABSJODZBL-ALCCZGGFSA-N 1 0 362.430 1.465 20 10 FDCDRO CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897955632 840626821 /nfs/dbraw/zinc/62/68/21/840626821.db2.gz 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1.731 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1F ZINC000818985284 943372504 /nfs/dbraw/zinc/37/25/04/943372504.db2.gz QVFXCIXBFGGXPV-AWEZNQCLSA-N 1 0 371.412 1.638 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000819171424 943460030 /nfs/dbraw/zinc/46/00/30/943460030.db2.gz WHKYKPUMEUWHEL-WBVHZDCISA-N 1 0 369.456 1.956 20 10 FDCDRO CC[C@@H](CSC)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819208086 943486215 /nfs/dbraw/zinc/48/62/15/943486215.db2.gz RROBWEZPLLZGNT-WMZOPIPTSA-N 1 0 367.559 1.909 20 10 FDCDRO CCc1nc(CNC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000819357204 943540487 /nfs/dbraw/zinc/54/04/87/943540487.db2.gz PRSQPHHFAJWTLC-SFHVURJKSA-N 1 0 374.485 1.518 20 10 FDCDRO CC[C@H](C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)OC ZINC000819321514 943549132 /nfs/dbraw/zinc/54/91/32/943549132.db2.gz IFIOURVTXRNQIR-QZTJIDSGSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3ccc(C)n3)CC2)cc1 ZINC000822238274 944907670 /nfs/dbraw/zinc/90/76/70/944907670.db2.gz ZLCHWOYAJUJHQL-UHFFFAOYSA-N 1 0 371.485 1.529 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCN(C)C3=O)cc2F)CC1 ZINC000772872232 945844947 /nfs/dbraw/zinc/84/49/47/945844947.db2.gz MUPLMFXZPNOXMI-OAHLLOKOSA-N 1 0 362.449 1.062 20 10 FDCDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000824223870 946285416 /nfs/dbraw/zinc/28/54/16/946285416.db2.gz FDOREAASJQTSAL-PKOBYXMFSA-N 1 0 358.486 1.759 20 10 FDCDRO COCCOC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000824590803 946563338 /nfs/dbraw/zinc/56/33/38/946563338.db2.gz QEALNOHYRDLKNT-UHFFFAOYSA-N 1 0 364.486 1.825 20 10 FDCDRO Cc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1O ZINC000825284335 947108321 /nfs/dbraw/zinc/10/83/21/947108321.db2.gz LIIPFQRJLNGXMC-UHFFFAOYSA-N 1 0 368.430 1.998 20 10 FDCDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(F)ccc1O ZINC000825284631 947109304 /nfs/dbraw/zinc/10/93/04/947109304.db2.gz UHJMQAUDEFYRST-UHFFFAOYSA-N 1 0 372.393 1.829 20 10 FDCDRO Cc1cccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1O ZINC000775676190 971360424 /nfs/dbraw/zinc/36/04/24/971360424.db2.gz OFBXXHZHWRFQGQ-UHFFFAOYSA-N 1 0 364.453 1.994 20 10 FDCDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000775696196 971545969 /nfs/dbraw/zinc/54/59/69/971545969.db2.gz INGVXCADPRSGDD-INIZCTEOSA-N 1 0 353.532 1.693 20 10 FDCDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700498 971551211 /nfs/dbraw/zinc/55/12/11/971551211.db2.gz PFZXGIIPOJOHPM-HOTGVXAUSA-N 1 0 353.532 1.692 20 10 FDCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499794 949696209 /nfs/dbraw/zinc/69/62/09/949696209.db2.gz JGACAJRIUYGDNH-ZYHUDNBSSA-N 1 0 354.403 1.263 20 10 FDCDRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144508606 949748220 /nfs/dbraw/zinc/74/82/20/949748220.db2.gz RRLTVJDIIQQLEE-HNNXBMFYSA-N 1 0 369.421 1.837 20 10 FDCDRO COCCN1CCOC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144509486 949786540 /nfs/dbraw/zinc/78/65/40/949786540.db2.gz BWQHKQPSPJDCTO-LJQANCHMSA-N 1 0 366.458 1.364 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000846156408 950576391 /nfs/dbraw/zinc/57/63/91/950576391.db2.gz FTNXLAMDGDFFQP-NEPJUHHUSA-N 1 0 371.480 1.948 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001144853053 951224752 /nfs/dbraw/zinc/22/47/52/951224752.db2.gz PXZBDXRYDJRYFA-UHFFFAOYSA-N 1 0 350.469 1.027 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(n3cnnn3)CCCCC2)cc1 ZINC000846663933 951430766 /nfs/dbraw/zinc/43/07/66/951430766.db2.gz SGJWDUDTJDSROF-INIZCTEOSA-N 1 0 357.462 1.215 20 10 FDCDRO COCCN(C)C[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846778151 951560132 /nfs/dbraw/zinc/56/01/32/951560132.db2.gz RFIFURLACRKNIX-SFHVURJKSA-N 1 0 351.491 1.146 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCN(c4nc(N)ns4)CC3)cc2)CC1 ZINC000775736952 971840751 /nfs/dbraw/zinc/84/07/51/971840751.db2.gz HTUNJZPEQGDIIB-UHFFFAOYSA-N 1 0 373.530 1.194 20 10 FDCDRO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147885055 952571182 /nfs/dbraw/zinc/57/11/82/952571182.db2.gz PIHYWGZEWZWDKW-UHFFFAOYSA-N 1 0 373.501 1.511 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C)cc1C ZINC001093675050 958522051 /nfs/dbraw/zinc/52/20/51/958522051.db2.gz DSFMNASUIMFWOG-DJIMGWMZSA-N 1 0 359.470 1.466 20 10 FDCDRO O=C1NC(=O)[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(Br)cc2O)N1 ZINC001181588314 960973611 /nfs/dbraw/zinc/97/36/11/960973611.db2.gz IBRRRBJIWXUOIR-BONVTDFDSA-N 1 0 368.231 1.623 20 10 FDCDRO [NH3+]CC1(N(Cc2ccccc2)C(=O)CCc2ccc(O)c(O)c2)COC1 ZINC001182155637 961503437 /nfs/dbraw/zinc/50/34/37/961503437.db2.gz KJMLQVJPQBXTGD-UHFFFAOYSA-N 1 0 356.422 1.787 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc2nccn2c1 ZINC000774272611 961967857 /nfs/dbraw/zinc/96/78/57/961967857.db2.gz ROPTUGYHJOSNFO-UHFFFAOYSA-N 1 0 361.405 1.965 20 10 FDCDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H]1CCCO1 ZINC000774883637 963946044 /nfs/dbraw/zinc/94/60/44/963946044.db2.gz HNDORJBPOOYFRB-ZDUSSCGKSA-N 1 0 368.386 1.853 20 10 FDCDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC001179608017 964929055 /nfs/dbraw/zinc/92/90/55/964929055.db2.gz OOLWLUWHQOBBHM-UHFFFAOYSA-N 1 0 366.465 1.777 20 10 FDCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC001180122616 965118491 /nfs/dbraw/zinc/11/84/91/965118491.db2.gz AWDCQPWLYJTRTH-RMKNXTFCSA-N 1 0 366.469 1.946 20 10 FDCDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256292 966984722 /nfs/dbraw/zinc/98/47/22/966984722.db2.gz WJLLRZPZBQOQNB-MSOLQXFVSA-N 1 0 374.529 1.726 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@](C)(CO)C3)CC2)cc1 ZINC000852701579 967545277 /nfs/dbraw/zinc/54/52/77/967545277.db2.gz RYKRQQRQPCUFPN-OXQOHEQNSA-N 1 0 361.486 1.294 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000852762818 967589419 /nfs/dbraw/zinc/58/94/19/967589419.db2.gz XJFNEPJMNYULEU-OAHLLOKOSA-N 1 0 374.407 1.165 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)cc1 ZINC000852771797 967596346 /nfs/dbraw/zinc/59/63/46/967596346.db2.gz IDAWRBHCMCOEEL-UHFFFAOYSA-N 1 0 370.457 1.174 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000852793299 967611848 /nfs/dbraw/zinc/61/18/48/967611848.db2.gz WNFRMGOSYRBCBW-OAHLLOKOSA-N 1 0 369.469 1.848 20 10 FDCDRO CN(c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1)C1CCCCC1 ZINC000852797696 967614304 /nfs/dbraw/zinc/61/43/04/967614304.db2.gz ZLPNYENGQTXTNP-UHFFFAOYSA-N 1 0 356.474 1.936 20 10 FDCDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775361723 967615159 /nfs/dbraw/zinc/61/51/59/967615159.db2.gz CSSNIIDKLACGCM-QWHCGFSZSA-N 1 0 364.442 1.852 20 10 FDCDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775370501 967699394 /nfs/dbraw/zinc/69/93/94/967699394.db2.gz VSPIFUVWLWZTNN-CYBMUJFWSA-N 1 0 364.442 1.853 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853086408 967820818 /nfs/dbraw/zinc/82/08/18/967820818.db2.gz KLNSAXRHYTWEEX-INIZCTEOSA-N 1 0 359.426 1.410 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC/C=C\CO)CC2)cc1 ZINC000853247890 967944141 /nfs/dbraw/zinc/94/41/41/967944141.db2.gz FGFUOOLIZLQAAI-IHWYPQMZSA-N 1 0 362.474 1.055 20 10 FDCDRO O=S(=O)(C[C@H]1CCCO1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001193298491 969624311 /nfs/dbraw/zinc/62/43/11/969624311.db2.gz ZKBLSRHKUTYEBC-MRXNPFEDSA-N 1 0 354.472 1.455 20 10 FDCDRO Oc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCOCC1)C[C@@H]1CCCO1 ZINC000863969053 973340258 /nfs/dbraw/zinc/34/02/58/973340258.db2.gz RFHUOULYLBPVKU-MSOLQXFVSA-N 1 0 365.470 1.666 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867424750 975227209 /nfs/dbraw/zinc/22/72/09/975227209.db2.gz VQDLWEUJBFRUJN-NVXWUHKLSA-N 1 0 359.470 1.683 20 10 FDCDRO C[C@H](O)C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000847098121 975329670 /nfs/dbraw/zinc/32/96/70/975329670.db2.gz ODSQYTQSQPWHQG-AWEZNQCLSA-N 1 0 365.449 1.124 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000847314115 975459151 /nfs/dbraw/zinc/45/91/51/975459151.db2.gz PORRTSMDZAIKEF-VQTJNVASSA-N 1 0 372.513 1.883 20 10 FDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866456889 975671766 /nfs/dbraw/zinc/67/17/66/975671766.db2.gz DWZBFZMCWTZQPD-SECBINFHSA-N 1 0 351.266 1.745 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848630365 976963275 /nfs/dbraw/zinc/96/32/75/976963275.db2.gz RIFRWBCIZKHOFL-IZAXUBKRSA-N 1 0 374.529 1.948 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848940457 977268435 /nfs/dbraw/zinc/26/84/35/977268435.db2.gz YAICZTXCKYWXRF-MOPGFXCFSA-N 1 0 372.513 1.844 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnn4c3CCC4)CC2)cc1 ZINC000850090541 978147813 /nfs/dbraw/zinc/14/78/13/978147813.db2.gz QMLCDGDXVROJQJ-UHFFFAOYSA-N 1 0 355.486 1.750 20 10 FDCDRO COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850253751 978277111 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20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000891248175 774101718 /nfs/dbraw/zinc/10/17/18/774101718.db2.gz WNIOHLFRAMKKHW-QUCCMNQESA-N 1 0 362.518 1.318 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)NC3CC3)CCC2)[NH+](C)C)cc1 ZINC000891253476 774144099 /nfs/dbraw/zinc/14/40/99/774144099.db2.gz SQTGFPPGSNYDLK-GOSISDBHSA-N 1 0 372.513 1.920 20 10 FDCDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255119 774157828 /nfs/dbraw/zinc/15/78/28/774157828.db2.gz MWDPRNOXHRATNI-INIZCTEOSA-N 1 0 374.445 1.585 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)cs2)[NH+](C)C)cc1 ZINC000891254768 774158665 /nfs/dbraw/zinc/15/86/65/774158665.db2.gz JDDUIPZHBAMPQO-OAHLLOKOSA-N 1 0 360.483 1.946 20 10 FDCDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256833 774166169 /nfs/dbraw/zinc/16/61/69/774166169.db2.gz AAZXOZGZXDZKBD-MRXNPFEDSA-N 1 0 374.445 1.585 20 10 FDCDRO COc1cc(=O)[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891257258 774167163 /nfs/dbraw/zinc/16/71/63/774167163.db2.gz GNKKLCIMWNMBHL-MRXNPFEDSA-N 1 0 358.442 1.895 20 10 FDCDRO CC(C)NC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC001167431439 774657344 /nfs/dbraw/zinc/65/73/44/774657344.db2.gz ZPSLVUFJIVACAO-UHFFFAOYSA-N 1 0 368.485 1.979 20 10 FDCDRO C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000891386267 776517932 /nfs/dbraw/zinc/51/79/32/776517932.db2.gz VYNHEHFNEHGRKH-SDADXPQNSA-N 1 0 364.465 1.976 20 10 FDCDRO CC[C@H](CO)Nc1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1 ZINC000891443615 777525669 /nfs/dbraw/zinc/52/56/69/777525669.db2.gz JSILKXWTTVMBJZ-OAHLLOKOSA-N 1 0 357.458 1.995 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1C ZINC001022275749 779080965 /nfs/dbraw/zinc/08/09/65/779080965.db2.gz RQEFHFHTPDHLBG-VYCZESIESA-N 1 0 361.486 1.460 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3OC)CC2)cc1 ZINC000277023952 780668809 /nfs/dbraw/zinc/66/88/09/780668809.db2.gz RHNHJIMOVXXAEF-RBUKOAKNSA-N 1 0 361.486 1.891 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)N[C@@H](C4CC4)C3=O)CC2)cc1 ZINC000277290535 781354986 /nfs/dbraw/zinc/35/49/86/781354986.db2.gz JHOUQJUSSCCCBP-SFHVURJKSA-N 1 0 372.469 1.538 20 10 FDCDRO C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000892108241 781548327 /nfs/dbraw/zinc/54/83/27/781548327.db2.gz QNELSBOSJKGECI-BXUZGUMPSA-N 1 0 360.380 1.589 20 10 FDCDRO C[NH2+][C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000375821820 785050131 /nfs/dbraw/zinc/05/01/31/785050131.db2.gz CLNIFZKIEZOQQY-SFHVURJKSA-N 1 0 357.458 1.428 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)ccc21 ZINC000892492829 785262342 /nfs/dbraw/zinc/26/23/42/785262342.db2.gz UOUMDIXJQBTVDH-WOJBJXKFSA-N 1 0 372.513 1.810 20 10 FDCDRO O=C(C[C@H]1C[NH2+]CCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166292779 788678864 /nfs/dbraw/zinc/67/88/64/788678864.db2.gz IXNLKQZNUJVKNC-INIZCTEOSA-N 1 0 369.412 1.752 20 10 FDCDRO NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)cc1 ZINC001083288431 792872534 /nfs/dbraw/zinc/87/25/34/792872534.db2.gz FZIVWAKTAWQQSY-JKSUJKDBSA-N 1 0 357.414 1.784 20 10 FDCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(N2CCOCC2)nc1 ZINC000662799226 803304483 /nfs/dbraw/zinc/30/44/83/803304483.db2.gz VHDYLQQAFHXBEU-UHFFFAOYSA-N 1 0 352.438 1.841 20 10 FDCDRO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893606827 807031406 /nfs/dbraw/zinc/03/14/06/807031406.db2.gz ANUVIGDXMDRCHJ-LJQANCHMSA-N 1 0 358.486 1.456 20 10 FDCDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1O ZINC000280025369 811696957 /nfs/dbraw/zinc/69/69/57/811696957.db2.gz XMCLXQSSEKAXLW-WBVHZDCISA-N 1 0 356.422 1.711 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419703600 812094800 /nfs/dbraw/zinc/09/48/00/812094800.db2.gz DKTFLGYRQXKWKY-HUUCEWRRSA-N 1 0 356.470 1.607 20 10 FDCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncn(C)n1 ZINC000894327888 816929795 /nfs/dbraw/zinc/92/97/95/816929795.db2.gz XEKYDAGZFLLEIB-CJNGLKHVSA-N 1 0 359.478 1.544 20 10 FDCDRO COc1ccc(N2CCC([N@H+](C)C[C@H](O)CN3CCCC3=O)CC2)cc1 ZINC000366686628 817470418 /nfs/dbraw/zinc/47/04/18/817470418.db2.gz GMXUATZHFSNOOW-SFHVURJKSA-N 1 0 361.486 1.579 20 10 FDCDRO COC(=O)c1c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c2cc(F)ccc2n1C ZINC000895189039 821587397 /nfs/dbraw/zinc/58/73/97/821587397.db2.gz RQTIDLBEIUDTCB-LBPRGKRZSA-N 1 0 371.416 1.880 20 10 FDCDRO COC(=O)NCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895252628 822272769 /nfs/dbraw/zinc/27/27/69/822272769.db2.gz AGEGFSPYXZUKJU-OAHLLOKOSA-N 1 0 351.451 1.011 20 10 FDCDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000895809783 822748158 /nfs/dbraw/zinc/74/81/58/822748158.db2.gz ARQOPQYSAXTXFO-UHFFFAOYSA-N 1 0 363.277 1.668 20 10 FDCDRO COC(=O)C1=CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000895969035 823847023 /nfs/dbraw/zinc/84/70/23/823847023.db2.gz IXQWDLWXSLIBBJ-AEFFLSMTSA-N 1 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840999710 /nfs/dbraw/zinc/99/97/10/840999710.db2.gz WFYCTPLXLHVPPN-JTQLQIEISA-N 1 0 350.806 1.918 20 10 FDCDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(C)ccc1O)CCS2(=O)=O ZINC000898490665 844761870 /nfs/dbraw/zinc/76/18/70/844761870.db2.gz PCHKLDGIJZTWAS-SWKXRBFHSA-N 1 0 367.467 1.689 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000842210334 845627711 /nfs/dbraw/zinc/62/77/11/845627711.db2.gz ZAMXGPCNMRJEES-XJKSGUPXSA-N 1 0 364.465 1.484 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)[NH+](C)C)cc1 ZINC000899097774 845761144 /nfs/dbraw/zinc/76/11/44/845761144.db2.gz GOXKXGDPAWKFQZ-RCCFBDPRSA-N 1 0 360.502 1.958 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H](CO)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899101988 845774615 /nfs/dbraw/zinc/77/46/15/845774615.db2.gz JOMWFRBOIVGYCX-ROUUACIJSA-N 1 0 374.489 1.122 20 10 FDCDRO C[C@H]1CC(=O)NCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102986 845775479 /nfs/dbraw/zinc/77/54/79/845775479.db2.gz UBVSTLDFRVCLEO-WMLDXEAASA-N 1 0 361.490 1.275 20 10 FDCDRO C[C@@H]1c2nncn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103388 845776612 /nfs/dbraw/zinc/77/66/12/845776612.db2.gz LIPLPYQJXVDTIA-PBHICJAKSA-N 1 0 371.489 1.733 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H](O)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000899103541 845776638 /nfs/dbraw/zinc/77/66/38/845776638.db2.gz MPPAMHDHIPCHQG-JKSUJKDBSA-N 1 0 370.444 1.767 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@H](O)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000899103532 845776679 /nfs/dbraw/zinc/77/66/79/845776679.db2.gz MPPAMHDHIPCHQG-CVEARBPZSA-N 1 0 370.444 1.767 20 10 FDCDRO CC(C)N(C[C@@H](O)CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098656 845792429 /nfs/dbraw/zinc/79/24/29/845792429.db2.gz QRPRTHCLFOGICG-MSOLQXFVSA-N 1 0 366.506 1.129 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCN(C)CC(F)F)[NH+](C)C)cc1 ZINC000899099142 845793650 /nfs/dbraw/zinc/79/36/50/845793650.db2.gz VYWSOFUQPYUUNK-INIZCTEOSA-N 1 0 371.476 1.851 20 10 FDCDRO Cc1noc(C2CN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)n1 ZINC000899100962 845798911 /nfs/dbraw/zinc/79/89/11/845798911.db2.gz DXKNEPFEJXWNEP-KRWDZBQOSA-N 1 0 372.473 1.856 20 10 FDCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842250911 845972814 /nfs/dbraw/zinc/97/28/14/845972814.db2.gz MXCKODRZHCDYGW-MRXNPFEDSA-N 1 0 359.426 1.614 20 10 FDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899472799 846276208 /nfs/dbraw/zinc/27/62/08/846276208.db2.gz JYLAVMSKGICMJE-LJQANCHMSA-N 1 0 372.513 1.879 20 10 FDCDRO COC(=O)CCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724194 846625538 /nfs/dbraw/zinc/62/55/38/846625538.db2.gz KUBKKUIAFFZOIU-INIZCTEOSA-N 1 0 366.531 1.773 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]3C(F)F)CC2)cc1 ZINC000905975259 852451360 /nfs/dbraw/zinc/45/13/60/852451360.db2.gz PZYGDLGCGUTLFS-DOTOQJQBSA-N 1 0 355.429 1.518 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc[n+]3[O-])CC2)cc1 ZINC000044952542 862569986 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ZINC000844401878 948031380 /nfs/dbraw/zinc/03/13/80/948031380.db2.gz PAKMIPFOBARGFO-HNNXBMFYSA-N 1 0 355.504 1.345 20 10 FDCDRO CN(CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(N)=[NH2+] ZINC001144137763 948264277 /nfs/dbraw/zinc/26/42/77/948264277.db2.gz WMWGMOPHEOIVQY-UHFFFAOYSA-N 1 0 359.352 1.059 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H]4CCC[C@]4([NH3+])C3)CC2)cc1 ZINC000857086470 971566614 /nfs/dbraw/zinc/56/66/14/971566614.db2.gz KZMLDAKSJMLQNZ-UZLBHIALSA-N 1 0 358.486 1.157 20 10 FDCDRO O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508638 949699163 /nfs/dbraw/zinc/69/91/63/949699163.db2.gz TUNSVEFGMIQXAV-FQEVSTJZSA-N 1 0 369.421 1.823 20 10 FDCDRO CCN1C[C@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)CC[C@H]2S1(=O)=O ZINC001144510231 949790684 /nfs/dbraw/zinc/79/06/84/949790684.db2.gz VGGYEOURMCWCRM-BDJLRTHQSA-N 1 0 356.444 1.049 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845987837 950277652 /nfs/dbraw/zinc/27/76/52/950277652.db2.gz NNQTXPUFIOCPHB-UHFFFAOYSA-N 1 0 357.520 1.735 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C2CC2)cc1 ZINC000857245559 971671717 /nfs/dbraw/zinc/67/17/17/971671717.db2.gz SXAGSOOLYFESEU-KKSFZXQISA-N 1 0 370.497 1.583 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001144841423 951185727 /nfs/dbraw/zinc/18/57/27/951185727.db2.gz GMHVPCPHVKTANH-UHFFFAOYSA-N 1 0 367.540 1.714 20 10 FDCDRO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844880 951647534 /nfs/dbraw/zinc/64/75/34/951647534.db2.gz IWJLUDARYWYKNW-QFBILLFUSA-N 1 0 351.491 1.113 20 10 FDCDRO [NH3+]CCN=c1ccc(Br)cn1C(=O)c1cccc(O)c1O ZINC001148224003 952654307 /nfs/dbraw/zinc/65/43/07/952654307.db2.gz BAPMZJODXVJFIS-UHFFFAOYSA-N 1 0 352.188 1.210 20 10 FDCDRO COc1c(O)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000774836574 963826632 /nfs/dbraw/zinc/82/66/32/963826632.db2.gz KCUVODASVAMFNQ-HNNXBMFYSA-N 1 0 365.430 1.996 20 10 FDCDRO C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000774851735 963907942 /nfs/dbraw/zinc/90/79/42/963907942.db2.gz BHPHYXZHHCIGIN-UHFFFAOYSA-N 1 0 371.437 1.724 20 10 FDCDRO COc1c([O-])c(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000774879345 963953757 /nfs/dbraw/zinc/95/37/57/963953757.db2.gz AGCAXXSTILRBBQ-UHFFFAOYSA-N 1 0 353.419 1.852 20 10 FDCDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001178482980 964257041 /nfs/dbraw/zinc/25/70/41/964257041.db2.gz OJGVFECPDKTNBV-FQEVSTJZSA-N 1 0 353.466 1.970 20 10 FDCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179684676 964943186 /nfs/dbraw/zinc/94/31/86/964943186.db2.gz YRBAOBYNVFIZKX-CSPWOOARSA-N 1 0 356.426 1.528 20 10 FDCDRO COC(=O)/C=C/c1ccc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001187607557 965558451 /nfs/dbraw/zinc/55/84/51/965558451.db2.gz YTNBSPUQFGKWAY-HWKANZROSA-N 1 0 361.398 1.738 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253658 966988775 /nfs/dbraw/zinc/98/87/75/966988775.db2.gz AQCGHAGHFZUWKN-IXDOHACOSA-N 1 0 361.486 1.810 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@](O)(C4CC4)C3)CC2)cc1 ZINC000852502571 967379494 /nfs/dbraw/zinc/37/94/94/967379494.db2.gz JSBBAAXNLSNFDY-NRFANRHFSA-N 1 0 373.497 1.581 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@@H]3[C@H](C)O)CC2)cc1 ZINC000852557895 967424665 /nfs/dbraw/zinc/42/46/65/967424665.db2.gz BKBNQTRGCTZTTH-XKGZKEIXSA-N 1 0 363.502 1.023 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)cc1 ZINC000852844763 967651453 /nfs/dbraw/zinc/65/14/53/967651453.db2.gz ZNGVWWINTCMCHW-FUHWJXTLSA-N 1 0 369.469 1.825 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000852861063 967666639 /nfs/dbraw/zinc/66/66/39/967666639.db2.gz ZGVSMNHCSFUTBA-BZPMIXESSA-N 1 0 364.421 1.159 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000852916257 967705557 /nfs/dbraw/zinc/70/55/57/967705557.db2.gz ASSXINMWENBSCQ-NRFANRHFSA-N 1 0 365.477 1.978 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000852918057 967707208 /nfs/dbraw/zinc/70/72/08/967707208.db2.gz UZQCZDHBZYMMAX-IAGOWNOFSA-N 1 0 364.465 1.389 20 10 FDCDRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775369950 967715025 /nfs/dbraw/zinc/71/50/25/967715025.db2.gz JGNVCPWQRZVTNR-DOMZBBRYSA-N 1 0 352.431 1.755 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N2CCCCC2)c1 ZINC000775376343 967766405 /nfs/dbraw/zinc/76/64/05/967766405.db2.gz UDVUGJXRTARKBB-ZIAGYGMSSA-N 1 0 363.458 1.569 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853065305 967797380 /nfs/dbraw/zinc/79/73/80/967797380.db2.gz XSSGKYBPPBYFOU-SFHVURJKSA-N 1 0 361.467 1.140 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nc(C)c[nH]3)CC2)cc1 ZINC001191105898 968275390 /nfs/dbraw/zinc/27/53/90/968275390.db2.gz LKARNZNRNTWJLF-UHFFFAOYSA-N 1 0 357.458 1.669 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1C[C@H](O)C1 ZINC000853942337 968454060 /nfs/dbraw/zinc/45/40/60/968454060.db2.gz BUOMDLBRGNYIBS-UAPYVXQJSA-N 1 0 358.486 1.541 20 10 FDCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCOC4(C[NH2+]C4)C3)c2C)cc1 ZINC000854015918 968532169 /nfs/dbraw/zinc/53/21/69/968532169.db2.gz WMHCKXQDBHGUDQ-UHFFFAOYSA-N 1 0 355.438 1.917 20 10 FDCDRO CN(C)c1ccc(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000112280080 968922905 /nfs/dbraw/zinc/92/29/05/968922905.db2.gz QFVYPWRVGGEBQM-UHFFFAOYSA-N 1 0 371.460 1.969 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000855222794 970221581 /nfs/dbraw/zinc/22/15/81/970221581.db2.gz AKYILLBEUHKKBK-OAHLLOKOSA-N 1 0 357.458 1.462 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863316852 972792730 /nfs/dbraw/zinc/79/27/30/972792730.db2.gz SZXHCFAVWNXHAS-QGZVFWFLSA-N 1 0 355.438 1.703 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2F)C[C@@H](C)O1 ZINC000863550578 973005781 /nfs/dbraw/zinc/00/57/81/973005781.db2.gz AQWOSHRPNYVEPP-NUJGCVRESA-N 1 0 365.493 1.986 20 10 FDCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000863642699 973078929 /nfs/dbraw/zinc/07/89/29/973078929.db2.gz VQXJAOORSHIZDV-CABCVRRESA-N 1 0 369.824 1.942 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3ccn(C)n3)CC2)cc1 ZINC000794562691 973233077 /nfs/dbraw/zinc/23/30/77/973233077.db2.gz WDKKQHBWZWQAHI-QGZVFWFLSA-N 1 0 359.474 1.048 20 10 FDCDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000863943003 973305561 /nfs/dbraw/zinc/30/55/61/973305561.db2.gz JWRZEWYUVYUQJX-UHFFFAOYSA-N 1 0 352.406 1.954 20 10 FDCDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)N1 ZINC000776023702 974491109 /nfs/dbraw/zinc/49/11/09/974491109.db2.gz IAUKZMMKEYHFCC-UHFFFAOYSA-N 1 0 374.510 1.850 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)cc2F)CC1 ZINC000847453519 975644572 /nfs/dbraw/zinc/64/45/72/975644572.db2.gz ATSMLKWXJCCRBZ-LSDHHAIUSA-N 1 0 362.449 1.095 20 10 FDCDRO CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Cl)ccc1O ZINC000866553411 975780058 /nfs/dbraw/zinc/78/00/58/975780058.db2.gz LXORWHOWBAQBOQ-RHSMWYFYSA-N 1 0 354.834 1.714 20 10 FDCDRO C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)NC(N)=O ZINC000847591183 975875927 /nfs/dbraw/zinc/87/59/27/975875927.db2.gz RGMZUDIPCNFDMX-SMDDNHRTSA-N 1 0 368.865 1.573 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866747275 975988389 /nfs/dbraw/zinc/98/83/89/975988389.db2.gz SALIFBHXIGVNRO-KRWDZBQOSA-N 1 0 355.504 1.281 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)cc1 ZINC000848415832 976723531 /nfs/dbraw/zinc/72/35/31/976723531.db2.gz QMRCZUOIVUBDPR-CTNGQTDRSA-N 1 0 372.513 1.323 20 10 FDCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nnnn2C)c1O ZINC000848532399 976894497 /nfs/dbraw/zinc/89/44/97/976894497.db2.gz HCOOPDBSXCXEBD-QMMMGPOBSA-N 1 0 356.224 1.580 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000848632079 976964164 /nfs/dbraw/zinc/96/41/64/976964164.db2.gz JLWYIABLDRQGPT-UWUNEBHHSA-N 1 0 372.513 1.700 20 10 FDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccncc3)C(=O)[O-])cc2)CC1 ZINC000848640609 976973805 /nfs/dbraw/zinc/97/38/05/976973805.db2.gz SMLSFNSCAKGRGP-LJQANCHMSA-N 1 0 354.454 1.619 20 10 FDCDRO O=[N+]([O-])c1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1N1CCCCC1 ZINC000848926350 977240321 /nfs/dbraw/zinc/24/03/21/977240321.db2.gz POKUCTCRTMSCTK-DLBZAZTESA-N 1 0 360.458 1.836 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000868361054 977533691 /nfs/dbraw/zinc/53/36/91/977533691.db2.gz PLIIFAOAWBFFID-NVXWUHKLSA-N 1 0 360.502 1.543 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)cc1 ZINC000851639938 978981504 /nfs/dbraw/zinc/98/15/04/978981504.db2.gz NHWTXZYPPRRIME-CABCVRRESA-N 1 0 370.457 1.047 20 10 FDCDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851655282 978985863 /nfs/dbraw/zinc/98/58/63/978985863.db2.gz OEBVVROYPNTQIQ-MRXNPFEDSA-N 1 0 352.454 1.835 20 10 FDCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000851655553 978986187 /nfs/dbraw/zinc/98/61/87/978986187.db2.gz SZGFUOAGGJIQKX-UKRRQHHQSA-N 1 0 354.401 1.243 20 10 FDCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000128949734 979840867 /nfs/dbraw/zinc/84/08/67/979840867.db2.gz LIDGGNFIZDVGSQ-UHFFFAOYSA-N 1 0 374.510 1.722 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000881851457 980212824 /nfs/dbraw/zinc/21/28/24/980212824.db2.gz VDMFOEVSLKXEML-KRWDZBQOSA-N 1 0 353.470 1.898 20 10 FDCDRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881852431 980215719 /nfs/dbraw/zinc/21/57/19/980215719.db2.gz PPCVJKJGEAEVGW-INIZCTEOSA-N 1 0 358.486 1.313 20 10 FDCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C(N)=O ZINC000881853056 980216405 /nfs/dbraw/zinc/21/64/05/980216405.db2.gz IJCUMUPJKLXZIG-UHFFFAOYSA-N 1 0 367.453 1.171 20 10 FDCDRO Cc1cnc(COCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881853985 980218435 /nfs/dbraw/zinc/21/84/35/980218435.db2.gz QUMDSBKHUZQTCM-UHFFFAOYSA-N 1 0 358.442 1.568 20 10 FDCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858132793 981851001 /nfs/dbraw/zinc/85/10/01/981851001.db2.gz LAPJRRASGATLHV-UHFFFAOYSA-N 1 0 370.291 1.797 20 10 FDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(O)cccc1Br ZINC000858170610 981889923 /nfs/dbraw/zinc/88/99/23/981889923.db2.gz HQPKGQHDOYTTBU-SECBINFHSA-N 1 0 351.266 1.572 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CC(OC)C3)CC2)cc1 ZINC000858179973 981900093 /nfs/dbraw/zinc/90/00/93/981900093.db2.gz IVDSYRLRFRZPEH-UHFFFAOYSA-N 1 0 361.486 1.749 20 10 FDCDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000858224686 981926092 /nfs/dbraw/zinc/92/60/92/981926092.db2.gz ORLVQXACCSYDEG-ZDUSSCGKSA-N 1 0 356.264 1.584 20 10 FDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489896 982075780 /nfs/dbraw/zinc/07/57/80/982075780.db2.gz OOKGOBYJNJVTBX-STQMWFEESA-N 1 0 354.414 1.768 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(F)n3)cc2)CC1 ZINC000883544711 982258271 /nfs/dbraw/zinc/25/82/71/982258271.db2.gz YGTJFXKGZZIDFZ-UHFFFAOYSA-N 1 0 357.433 1.972 20 10 FDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncnn1C ZINC000883641967 982338111 /nfs/dbraw/zinc/33/81/11/982338111.db2.gz ZZPKFABFVATALG-CQSZACIVSA-N 1 0 357.462 1.127 20 10 FDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ncnn21 ZINC000883769836 982456528 /nfs/dbraw/zinc/45/65/28/982456528.db2.gz CWSIVHPMEPTQIG-PBHICJAKSA-N 1 0 369.473 1.535 20 10 FDCDRO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000859230073 982633829 /nfs/dbraw/zinc/63/38/29/982633829.db2.gz RIUPREJXJLOQGR-AWEZNQCLSA-N 1 0 356.426 1.951 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000884009977 982699776 /nfs/dbraw/zinc/69/97/76/982699776.db2.gz OEOLEEJWASNFDM-ROUUACIJSA-N 1 0 352.438 1.743 20 10 FDCDRO COCC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203843 982979350 /nfs/dbraw/zinc/97/93/50/982979350.db2.gz GRTRRYQRWYBWLC-HNNXBMFYSA-N 1 0 357.401 1.737 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000884633554 983299509 /nfs/dbraw/zinc/29/95/09/983299509.db2.gz OPMMWBPORCLQAX-HOCLYGCPSA-N 1 0 360.502 1.824 20 10 FDCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000861562151 983779015 /nfs/dbraw/zinc/77/90/15/983779015.db2.gz MHCWQMPTAFBUPY-IHRRRGAJSA-N 1 0 352.454 1.928 20 10 FDCDRO C[NH2+]CCOCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000861572585 983782187 /nfs/dbraw/zinc/78/21/87/983782187.db2.gz SPENHAGANOWZOE-UHFFFAOYSA-N 1 0 350.463 1.199 20 10 FDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000861637254 983798422 /nfs/dbraw/zinc/79/84/22/983798422.db2.gz HYGGQUURNISFCO-JKSUJKDBSA-N 1 0 368.428 1.741 20 10 FDCDRO CNS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862243344 984278293 /nfs/dbraw/zinc/27/82/93/984278293.db2.gz YXFQJFHBXWPFPH-UHFFFAOYSA-N 1 0 363.277 1.668 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c1O ZINC000862483163 984398944 /nfs/dbraw/zinc/39/89/44/984398944.db2.gz HMDCFXNGYCAXFC-UHFFFAOYSA-N 1 0 365.821 1.582 20 10 FDCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000862504139 984401763 /nfs/dbraw/zinc/40/17/63/984401763.db2.gz SZLUAUTYLSCVFP-UHFFFAOYSA-N 1 0 372.513 1.847 20 10 FDCDRO COc1cc(O)c(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000862536730 984407609 /nfs/dbraw/zinc/40/76/09/984407609.db2.gz SZFVZVVCQJXZNF-UHFFFAOYSA-N 1 0 374.393 1.909 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1F ZINC000884642041 984648214 /nfs/dbraw/zinc/64/82/14/984648214.db2.gz ZEVBOZXBRIDJDB-TZMCWYRMSA-N 1 0 350.438 1.236 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccns3)cc2)CC1 ZINC000885354305 985354334 /nfs/dbraw/zinc/35/43/34/985354334.db2.gz YQKDAQZLYVQXEM-UHFFFAOYSA-N 1 0 352.485 1.373 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c(OC)c1 ZINC000870167139 985763467 /nfs/dbraw/zinc/76/34/67/985763467.db2.gz BSYFOBDDOXNGNL-GOSISDBHSA-N 1 0 359.470 1.979 20 10 FDCDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000872200892 987511894 /nfs/dbraw/zinc/51/18/94/987511894.db2.gz MFAJRWWOJQAHIJ-APWZRJJASA-N 1 0 352.450 1.664 20 10 FDCDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000872200893 987512166 /nfs/dbraw/zinc/51/21/66/987512166.db2.gz MFAJRWWOJQAHIJ-LPHOPBHVSA-N 1 0 352.450 1.664 20 10 FDCDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000872209672 987516593 /nfs/dbraw/zinc/51/65/93/987516593.db2.gz OOCABLATDUUFHJ-HNAYVOBHSA-N 1 0 370.440 1.803 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Cn1cccn1 ZINC000872261802 987556204 /nfs/dbraw/zinc/55/62/04/987556204.db2.gz YJEQDBLSJFZEGQ-LJQANCHMSA-N 1 0 372.425 1.251 20 10 FDCDRO Cc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000825610423 987711712 /nfs/dbraw/zinc/71/17/12/987711712.db2.gz FCMBURZDLBZEDU-UHFFFAOYSA-N 1 0 368.481 1.906 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCO[C@@H](C(C)C)C1)cc2=O ZINC000293171803 987982370 /nfs/dbraw/zinc/98/23/70/987982370.db2.gz PFRQHEBNOWZWFH-OAHLLOKOSA-N 1 0 362.430 1.859 20 10 FDCDRO COc1cc(C)cc(CN2CCc3c(cccc3S(N)(=O)=O)C2)c1O ZINC000872742930 988027796 /nfs/dbraw/zinc/02/77/96/988027796.db2.gz JQXFGEFOHPIAMB-UHFFFAOYSA-N 1 0 362.451 1.915 20 10 FDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1OC ZINC000362038870 988566373 /nfs/dbraw/zinc/56/63/73/988566373.db2.gz MIPCQXUAENHCLS-CQSZACIVSA-N 1 0 371.437 1.877 20 10 FDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000873130976 988593932 /nfs/dbraw/zinc/59/39/32/988593932.db2.gz NEEPWXWHUUYMPD-AWEZNQCLSA-N 1 0 374.453 1.858 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000368816873 989010635 /nfs/dbraw/zinc/01/06/35/989010635.db2.gz LJWFYRHLULDGJG-OAQYLSRUSA-N 1 0 372.513 1.655 20 10 FDCDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000369024125 989020321 /nfs/dbraw/zinc/02/03/21/989020321.db2.gz CBXUCZZDNUKKQO-OAHLLOKOSA-N 1 0 358.442 1.871 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000297719972 989656595 /nfs/dbraw/zinc/65/65/95/989656595.db2.gz DVWXKTWCKHXFTR-LJQANCHMSA-N 1 0 372.513 1.798 20 10 FDCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298117981 989909372 /nfs/dbraw/zinc/90/93/72/989909372.db2.gz WHNFZMHPOYOQCR-APWZRJJASA-N 1 0 374.529 1.900 20 10 FDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437151 990112870 /nfs/dbraw/zinc/11/28/70/990112870.db2.gz GSNDPPOPYSHAKF-INIZCTEOSA-N 1 0 362.518 1.146 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1 ZINC000876507266 992672328 /nfs/dbraw/zinc/67/23/28/992672328.db2.gz ZKBRISCXVBBXID-FXAWDEMLSA-N 1 0 358.486 1.565 20 10 FDCDRO CO[C@H]1CCn2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)nc2C1 ZINC000876507189 992672573 /nfs/dbraw/zinc/67/25/73/992672573.db2.gz XMFAYAQECPMMRQ-HOTGVXAUSA-N 1 0 357.458 1.340 20 10 FDCDRO CN(C)c1ccc(CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)cc1 ZINC000876712869 992818653 /nfs/dbraw/zinc/81/86/53/992818653.db2.gz KKMUSEGRYLMJQX-ZDUSSCGKSA-N 1 0 364.400 1.746 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876730367 992843439 /nfs/dbraw/zinc/84/34/39/992843439.db2.gz HYYAUZKFVSLEIS-DYVFJYSZSA-N 1 0 353.413 1.351 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)cc2F)C[C@@H](C)O1 ZINC000876731524 992845104 /nfs/dbraw/zinc/84/51/04/992845104.db2.gz RQKQNOMUTGSGPM-PJIJBLCYSA-N 1 0 365.449 1.434 20 10 FDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000876731949 992847207 /nfs/dbraw/zinc/84/72/07/992847207.db2.gz PJBMWRPVJMEECB-XBNVAATDSA-N 1 0 370.497 1.416 20 10 FDCDRO Cc1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(O)c1 ZINC000876755870 992879122 /nfs/dbraw/zinc/87/91/22/992879122.db2.gz MVLQXVAGAIKFHC-UHFFFAOYSA-N 1 0 369.469 1.649 20 10 FDCDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876774973 992899933 /nfs/dbraw/zinc/89/99/33/992899933.db2.gz LEEXPAWJAZFWDE-UHFFFAOYSA-N 1 0 368.481 1.783 20 10 FDCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876796600 992916923 /nfs/dbraw/zinc/91/69/23/992916923.db2.gz GZLVELIDIXBDOI-UHFFFAOYSA-N 1 0 367.515 1.115 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000876980895 992995061 /nfs/dbraw/zinc/99/50/61/992995061.db2.gz ORJYEWMVIKMPIL-ZWKOTPCHSA-N 1 0 374.529 1.854 20 10 FDCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(S(N)(=O)=O)o3)CC2)cc1 ZINC000876999696 993001730 /nfs/dbraw/zinc/00/17/30/993001730.db2.gz VTIPXOXPUXNUDS-UHFFFAOYSA-N 1 0 365.455 1.694 20 10 FDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)nn1 ZINC000375201285 993024143 /nfs/dbraw/zinc/02/41/43/993024143.db2.gz LIFKXROIRIWACP-GFCCVEGCSA-N 1 0 362.386 1.235 20 10 FDCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877145026 993069153 /nfs/dbraw/zinc/06/91/53/993069153.db2.gz BEWZJJCPERSGGA-KBAYOESNSA-N 1 0 372.513 1.925 20 10 FDCDRO COc1ccc(N2CCN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000877228379 993119841 /nfs/dbraw/zinc/11/98/41/993119841.db2.gz YSQDXBCQEPFMNK-CDVVCGDMSA-N 1 0 359.470 1.908 20 10 FDCDRO COc1ccc(N(C)CCN(C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000877610242 993378687 /nfs/dbraw/zinc/37/86/87/993378687.db2.gz MMPBRXBVBUSZSN-UHFFFAOYSA-N 1 0 353.444 1.504 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000826019589 993679924 /nfs/dbraw/zinc/67/99/24/993679924.db2.gz HQHAQTAHGRHRRQ-UHFFFAOYSA-N 1 0 364.465 1.898 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(C(=O)C4CC4)C3)cc2)CC1 ZINC000924008188 994319626 /nfs/dbraw/zinc/31/96/26/994319626.db2.gz RHVHMRXCDCZYGC-UHFFFAOYSA-N 1 0 371.485 1.160 20 10 FDCDRO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593245700 994439405 /nfs/dbraw/zinc/43/94/05/994439405.db2.gz AQJSEEBEKJBMOL-HZMBPMFUSA-N 1 0 361.364 1.577 20 10 FDCDRO O=C(C[C@@H]1CCNC1=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000879366445 994837129 /nfs/dbraw/zinc/83/71/29/994837129.db2.gz FOGKGQNLSUHARV-SFHVURJKSA-N 1 0 370.497 1.361 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)c(OC)c1 ZINC000879461533 994928011 /nfs/dbraw/zinc/92/80/11/994928011.db2.gz KEPDUADHKDPRBN-MRXNPFEDSA-N 1 0 364.486 1.882 20 10 FDCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924725880 994952153 /nfs/dbraw/zinc/95/21/53/994952153.db2.gz IKSJVPNTIDCJMG-HYVNUMGLSA-N 1 0 358.486 1.535 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)n4ncnc43)CC2)cc1 ZINC000924830781 995042251 /nfs/dbraw/zinc/04/22/51/995042251.db2.gz DYFANMBJRRGOKK-MAUKXSAKSA-N 1 0 356.474 1.704 20 10 FDCDRO CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000879648986 995135084 /nfs/dbraw/zinc/13/50/84/995135084.db2.gz IODLFFMVRJMMSZ-RBSFLKMASA-N 1 0 368.499 1.857 20 10 FDCDRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[C@H](O)C[N@@H+]3C)c2C)cc1 ZINC000924986880 995214370 /nfs/dbraw/zinc/21/43/70/995214370.db2.gz LCSBCWGABIQRJG-IRXDYDNUSA-N 1 0 357.454 1.898 20 10 FDCDRO CC[C@]1(COC)NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000925079236 995276963 /nfs/dbraw/zinc/27/69/63/995276963.db2.gz HIZSBMACMFECFZ-LJQANCHMSA-N 1 0 360.458 1.285 20 10 FDCDRO Cn1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1=O ZINC000879784836 995280001 /nfs/dbraw/zinc/28/00/01/995280001.db2.gz AAIPCQURHLKUJC-UHFFFAOYSA-N 1 0 355.442 1.459 20 10 FDCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000777558817 995522874 /nfs/dbraw/zinc/52/28/74/995522874.db2.gz UPTDHTWVPXLUQP-FXAWDEMLSA-N 1 0 352.390 1.914 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC(F)CC3)CC2)cc1 ZINC000880240424 995745715 /nfs/dbraw/zinc/74/57/15/995745715.db2.gz ZEVPKZCLCUKGLE-GOSISDBHSA-N 1 0 351.466 1.612 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000926288408 996026319 /nfs/dbraw/zinc/02/63/19/996026319.db2.gz LCKYRKQCPYDKKZ-FQEVSTJZSA-N 1 0 358.486 1.456 20 10 FDCDRO 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FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncc(C)o3)CC2)cc1 ZINC000291881250 537687274 /nfs/dbraw/zinc/68/72/74/537687274.db2.gz XLTOPVVUZSFSAH-UHFFFAOYSA-N 1 0 358.442 1.934 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369614555 538020271 /nfs/dbraw/zinc/02/02/71/538020271.db2.gz YAWPEEFPERRHRI-UXHICEINSA-N 1 0 370.497 1.803 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000563838442 546703939 /nfs/dbraw/zinc/70/39/39/546703939.db2.gz WDFLZTVYDUPJPM-HOCLYGCPSA-N 1 0 368.481 1.798 20 10 FDCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC000629176045 557734827 /nfs/dbraw/zinc/73/48/27/557734827.db2.gz GJXPEGZLNBTKBM-QGZVFWFLSA-N 1 0 359.470 1.701 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1F ZINC000736774648 598528022 /nfs/dbraw/zinc/52/80/22/598528022.db2.gz WIEWUEOBBHSVAK-GFCCVEGCSA-N 1 0 371.424 1.100 20 10 FDCDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273015123 674497373 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[NH3+][C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000282424023 675628837 /nfs/dbraw/zinc/62/88/37/675628837.db2.gz DYEQRQDFFFYTRE-QGZVFWFLSA-N 1 0 351.422 1.032 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1F ZINC000297236537 676425351 /nfs/dbraw/zinc/42/53/51/676425351.db2.gz NOOSZGQNTHIJNP-HNNXBMFYSA-N 1 0 352.454 1.538 20 10 FDCDRO COC(=O)[C@]12C[N@H+](Cc3cc(OC)c(OC)cc3O)C[C@H]1COCC2 ZINC000369530693 677505860 /nfs/dbraw/zinc/50/58/60/677505860.db2.gz ICAFGAAGVUPEKY-SCLBCKFNSA-N 1 0 351.399 1.421 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527957823 694694746 /nfs/dbraw/zinc/69/47/46/694694746.db2.gz VFHKGRADBMQRRV-LIRRHRJNSA-N 1 0 350.459 1.667 20 10 FDCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000527754015 694688893 /nfs/dbraw/zinc/68/88/93/694688893.db2.gz NGPHZERTLCQCAW-LJQANCHMSA-N 1 0 350.459 1.496 20 10 FDCDRO COc1ccc(CN2CCN(c3nc(N)ns3)CC2)c(O)c1OC ZINC000892216662 782264754 /nfs/dbraw/zinc/26/47/54/782264754.db2.gz ABCKZBFSOIHXFK-UHFFFAOYSA-N 1 0 351.432 1.165 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000275174510 771374892 /nfs/dbraw/zinc/37/48/92/771374892.db2.gz LRHVTWPKZWNXOK-ZDUSSCGKSA-N 1 0 361.421 1.352 20 10 FDCDRO CC(C)CN1C(=O)C(=CNC[C@H](c2ccccc2)[NH+](C)C)C(=O)NC1=S ZINC000255161238 773543508 /nfs/dbraw/zinc/54/35/08/773543508.db2.gz XPXGMNAWKUNXTK-AAGJOFLKSA-N 1 0 374.510 1.662 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891250514 774115167 /nfs/dbraw/zinc/11/51/67/774115167.db2.gz ASDONACWAWGEND-SFHVURJKSA-N 1 0 369.469 1.297 20 10 FDCDRO COCc1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250597 774115290 /nfs/dbraw/zinc/11/52/90/774115290.db2.gz XUQZKTVFEIXJFJ-SFHVURJKSA-N 1 0 359.474 1.665 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(N)=O)cn2C)[NH+](C)C)cc1 ZINC000891253373 774142261 /nfs/dbraw/zinc/14/22/61/774142261.db2.gz RSFICCHWQCTFHK-QGZVFWFLSA-N 1 0 357.458 1.223 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn3cccnc23)[NH+](C)C)cc1 ZINC000891255129 774157904 /nfs/dbraw/zinc/15/79/04/774157904.db2.gz NADPAVXIUFAHSA-KRWDZBQOSA-N 1 0 352.442 1.828 20 10 FDCDRO COC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891255165 774159001 /nfs/dbraw/zinc/15/90/01/774159001.db2.gz NHIAXNQKSRMWRU-SFHVURJKSA-N 1 0 370.453 1.967 20 10 FDCDRO COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891256266 774163202 /nfs/dbraw/zinc/16/32/02/774163202.db2.gz WSQCFQOBJUFOGH-GOSISDBHSA-N 1 0 370.453 1.967 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c(OC)c1 ZINC000892090357 781498243 /nfs/dbraw/zinc/49/82/43/781498243.db2.gz VZIRCCMZRNYGQT-CABCVRRESA-N 1 0 362.474 1.805 20 10 FDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000892099680 781529930 /nfs/dbraw/zinc/52/99/30/781529930.db2.gz VVCOXRJNWRPWEA-CQSZACIVSA-N 1 0 361.490 1.186 20 10 FDCDRO COC(=O)CC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000892131122 781695050 /nfs/dbraw/zinc/69/50/50/781695050.db2.gz VRFKGCUEJTUTDO-UHFFFAOYSA-N 1 0 353.415 1.954 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000892486258 785183036 /nfs/dbraw/zinc/18/30/36/785183036.db2.gz TVURPUPOJAHWTB-MSOLQXFVSA-N 1 0 364.465 1.632 20 10 FDCDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892564038 787319883 /nfs/dbraw/zinc/31/98/83/787319883.db2.gz KMUIDCXVFRDZEQ-UHFFFAOYSA-N 1 0 365.474 1.490 20 10 FDCDRO COc1ncc(/C=C\C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000893607225 807036380 /nfs/dbraw/zinc/03/63/80/807036380.db2.gz FAFZKTKQPBVIMN-YVMONPNESA-N 1 0 367.453 1.567 20 10 FDCDRO C/C(=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnccn1 ZINC000893607800 807040668 /nfs/dbraw/zinc/04/06/68/807040668.db2.gz LKGXXHSKURZTNK-SSZFMOIBSA-N 1 0 351.454 1.948 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000728946681 810316005 /nfs/dbraw/zinc/31/60/05/810316005.db2.gz REHJGHPYQJWHFG-AWEZNQCLSA-N 1 0 351.447 1.873 20 10 FDCDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000280702029 811907897 /nfs/dbraw/zinc/90/78/97/811907897.db2.gz SDXPSTBZACRWDD-UHFFFAOYSA-N 1 0 357.410 1.319 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178908033 816441215 /nfs/dbraw/zinc/44/12/15/816441215.db2.gz IFDNWKDKZNZLHA-IBGZPJMESA-N 1 0 374.529 1.556 20 10 FDCDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925056494 818017400 /nfs/dbraw/zinc/01/74/00/818017400.db2.gz WVLYJWAXJWSAMF-HWWDLCQESA-N 1 0 352.500 1.682 20 10 FDCDRO CCN1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000894678372 818301122 /nfs/dbraw/zinc/30/11/22/818301122.db2.gz HJEWPGKJCBIQIP-IAGOWNOFSA-N 1 0 361.490 1.275 20 10 FDCDRO CCO[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000097405772 820452636 /nfs/dbraw/zinc/45/26/36/820452636.db2.gz ANLFTGWWSKFJRJ-MOPGFXCFSA-N 1 0 361.486 1.749 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000895555438 822649834 /nfs/dbraw/zinc/64/98/34/822649834.db2.gz MRUONRROBNVLKV-MJGOQNOKSA-N 1 0 364.490 1.196 20 10 FDCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(OC)c(OC)c3O)C2)C1 ZINC000895826392 822754402 /nfs/dbraw/zinc/75/44/02/822754402.db2.gz ZWWPQUGQTNDJDL-KRWDZBQOSA-N 1 0 350.371 1.303 20 10 FDCDRO COc1ccc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c(O)c1OC ZINC000895861215 822768189 /nfs/dbraw/zinc/76/81/89/822768189.db2.gz NKQLSIMKKKRWEQ-UHFFFAOYSA-N 1 0 350.459 1.954 20 10 FDCDRO CON(C)C(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896055821 823981585 /nfs/dbraw/zinc/98/15/85/823981585.db2.gz VEXYPSJURVHLES-CJNGLKHVSA-N 1 0 365.478 1.063 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000896086145 824010178 /nfs/dbraw/zinc/01/01/78/824010178.db2.gz AMGXWABRIPZJMP-GOSISDBHSA-N 1 0 359.470 1.501 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000896445165 824418830 /nfs/dbraw/zinc/41/88/30/824418830.db2.gz SBDWPCSOBJJFSF-GOSISDBHSA-N 1 0 374.485 1.485 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCO[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000896734327 824840808 /nfs/dbraw/zinc/84/08/08/824840808.db2.gz XXWGAJOQQKVMPV-ROUUACIJSA-N 1 0 364.490 1.460 20 10 FDCDRO CN(C)c1ccc([C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[NH+](C)C)cc1 ZINC000897525476 836510064 /nfs/dbraw/zinc/51/00/64/836510064.db2.gz OZYNLIDDDBWDSD-HNNXBMFYSA-N 1 0 355.446 1.850 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955491 840210687 /nfs/dbraw/zinc/21/06/87/840210687.db2.gz DWIMDMASMIENAM-IBGZPJMESA-N 1 0 359.518 1.623 20 10 FDCDRO CN1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1(C)C ZINC000897730170 840340698 /nfs/dbraw/zinc/34/06/98/840340698.db2.gz KKPRRGWXDQJFMY-UHFFFAOYSA-N 1 0 356.517 1.294 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCCC3CC3)cc2)CC1 ZINC000898161053 840841051 /nfs/dbraw/zinc/84/10/51/840841051.db2.gz PZFKJCONHGYPJO-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCS(=O)(=O)CC2)N(C)C)cc1 ZINC000898447911 844715436 /nfs/dbraw/zinc/71/54/36/844715436.db2.gz MXHSMIVLUATSBI-FUHWJXTLSA-N 1 0 353.532 1.912 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000842123775 844746463 /nfs/dbraw/zinc/74/64/63/844746463.db2.gz WTAPHQIMFIJNMF-BHYGNILZSA-N 1 0 374.485 1.087 20 10 FDCDRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1[NH3+] ZINC000842170487 845239154 /nfs/dbraw/zinc/23/91/54/845239154.db2.gz HAXWMDQYMHYPBT-AEFFLSMTSA-N 1 0 356.470 1.265 20 10 FDCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000898985523 845577983 /nfs/dbraw/zinc/57/79/83/845577983.db2.gz WZYZTZYEPYFMKO-ZDUSSCGKSA-N 1 0 362.451 1.984 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(N3CCCC3=O)C2)[NH+](C)C)cc1 ZINC000899095391 845756385 /nfs/dbraw/zinc/75/63/85/845756385.db2.gz JBYCXRKESNHFHK-GOSISDBHSA-N 1 0 373.501 1.372 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)[NH+](C)C)cc1 ZINC000899103663 845776620 /nfs/dbraw/zinc/77/66/20/845776620.db2.gz OCTMMWCELNSDOC-SFHVURJKSA-N 1 0 373.501 1.372 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCOCCO)[NH+](C)C)cc1 ZINC000899104251 845777204 /nfs/dbraw/zinc/77/72/04/845777204.db2.gz RFEZAQXPYZHERS-QGZVFWFLSA-N 1 0 352.479 1.006 20 10 FDCDRO CC(C)[C@@H](CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105800 845780144 /nfs/dbraw/zinc/78/01/44/845780144.db2.gz ZAIUORJNOWTTQK-AEFFLSMTSA-N 1 0 350.507 1.919 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2Cc3cncn3C2)[NH+](C)C)cc1 ZINC000899099154 845793865 /nfs/dbraw/zinc/79/38/65/845793865.db2.gz WELLVSNOXXWDMY-YJBOKZPZSA-N 1 0 356.474 1.476 20 10 FDCDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC000842241652 845891283 /nfs/dbraw/zinc/89/12/83/845891283.db2.gz HEOMDHWTCZRWMZ-SFHVURJKSA-N 1 0 372.444 1.486 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000842249012 845961056 /nfs/dbraw/zinc/96/10/56/845961056.db2.gz ODNZOHBCKZAIHA-QGZVFWFLSA-N 1 0 362.518 1.981 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(OC(C)C)C3)CC2)cc1 ZINC000899901952 846851988 /nfs/dbraw/zinc/85/19/88/846851988.db2.gz ZPZJZHRZXPKBAC-GOSISDBHSA-N 1 0 363.502 1.287 20 10 FDCDRO CC(C)(O)[C@@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901126207 848062544 /nfs/dbraw/zinc/06/25/44/848062544.db2.gz BCYLUUZPALFBPD-HIFRSBDPSA-N 1 0 356.850 1.258 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905082328 851634340 /nfs/dbraw/zinc/63/43/40/851634340.db2.gz MBKYSIMCMWPXIT-PKOBYXMFSA-N 1 0 350.459 1.156 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC1(O)CCCC1 ZINC000905147384 851704130 /nfs/dbraw/zinc/70/41/30/851704130.db2.gz WRCUEYYXCAACGR-QGZVFWFLSA-N 1 0 366.477 1.933 20 10 FDCDRO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460630 855446708 /nfs/dbraw/zinc/44/67/08/855446708.db2.gz WQHUMVATAVYWLR-PBHICJAKSA-N 1 0 354.520 1.674 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(O)cc2O)[C@H](c2cnn(C)c2)C1 ZINC000910943512 857953260 /nfs/dbraw/zinc/95/32/60/857953260.db2.gz NEIGEAIYKJADRS-ROUUACIJSA-N 1 0 372.469 1.962 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)ccc21 ZINC000911116174 858212629 /nfs/dbraw/zinc/21/26/29/858212629.db2.gz YGJZISDBVARXLI-QGZVFWFLSA-N 1 0 358.486 1.334 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911160224 858243963 /nfs/dbraw/zinc/24/39/63/858243963.db2.gz ZGAZKKHVSHGYSC-OAQYLSRUSA-N 1 0 368.481 1.424 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC000911236081 858347506 /nfs/dbraw/zinc/34/75/06/858347506.db2.gz MQOSADYWXSCVDK-NUEKZKHPSA-N 1 0 362.449 1.297 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C2CC2)cc1 ZINC000911518913 858732246 /nfs/dbraw/zinc/73/22/46/858732246.db2.gz CDJYKVCIQKZCMD-QGZVFWFLSA-N 1 0 358.486 1.358 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C(F)F)C3)CC2)cc1 ZINC000761109019 864128193 /nfs/dbraw/zinc/12/81/93/864128193.db2.gz NEIQUSDIZURPCZ-AWEZNQCLSA-N 1 0 353.413 1.931 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN(C)CC1([NH+](C)C)CCC1)cc2=O ZINC000186960646 882139844 /nfs/dbraw/zinc/13/98/44/882139844.db2.gz DVKJQEMDGGEKMD-UHFFFAOYSA-N 1 0 361.446 1.528 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccnn3)CC2)cc1 ZINC000151855312 869579702 /nfs/dbraw/zinc/57/97/02/869579702.db2.gz CZWFZCZGEFJZGP-UHFFFAOYSA-N 1 0 370.457 1.819 20 10 FDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCOC1 ZINC000765979542 874064417 /nfs/dbraw/zinc/06/44/17/874064417.db2.gz LKKJCBKUTAWJRS-SJLPKXTDSA-N 1 0 352.500 1.826 20 10 FDCDRO COC(=O)CC1CC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000924005343 875648997 /nfs/dbraw/zinc/64/89/97/875648997.db2.gz DFTQHJLGAGDQBM-UHFFFAOYSA-N 1 0 374.485 1.579 20 10 FDCDRO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000762789465 876534743 /nfs/dbraw/zinc/53/47/43/876534743.db2.gz WAOZTSIXCQUQHO-RDTXWAMCSA-N 1 0 353.894 1.894 20 10 FDCDRO CN1CCC([NH+]2CCC(NC(=O)NCc3c(O)cccc3F)CC2)CC1 ZINC000915501049 876982691 /nfs/dbraw/zinc/98/26/91/876982691.db2.gz YHTYCNGGMSYYGW-UHFFFAOYSA-N 1 0 364.465 1.889 20 10 FDCDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000922528566 878492575 /nfs/dbraw/zinc/49/25/75/878492575.db2.gz ORFJIIAWEUCAQV-ACJLOTCBSA-N 1 0 358.398 1.447 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)cc1F ZINC000922769431 879224371 /nfs/dbraw/zinc/22/43/71/879224371.db2.gz VULDVYNUPDNAAA-UHFFFAOYSA-N 1 0 372.444 1.414 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@H]3C)cc2F)CC1 ZINC000917233786 883253033 /nfs/dbraw/zinc/25/30/33/883253033.db2.gz SSCGIEZWMRDKFW-RHSMWYFYSA-N 1 0 364.465 1.802 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC000999400435 912687427 /nfs/dbraw/zinc/68/74/27/912687427.db2.gz WQCOEZDDMVODMC-WDYCEAGBSA-N 1 0 362.470 1.888 20 10 FDCDRO COC(=O)CCN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000154740191 884579276 /nfs/dbraw/zinc/57/92/76/884579276.db2.gz JCGWSCXNMWWEMJ-QGZVFWFLSA-N 1 0 361.486 1.592 20 10 FDCDRO Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918845879 884966408 /nfs/dbraw/zinc/96/64/08/884966408.db2.gz NNILAKOHFAQKRT-UHFFFAOYSA-N 1 0 369.469 1.033 20 10 FDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O)cc1 ZINC001084108903 913453636 /nfs/dbraw/zinc/45/36/36/913453636.db2.gz KTDKIMFVPNUXKO-SJORKVTESA-N 1 0 367.409 1.824 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763926727 900770879 /nfs/dbraw/zinc/77/08/79/900770879.db2.gz GVDVRBAPFZCJNX-HQRMLTQVSA-N 1 0 363.502 1.193 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000785439013 908154417 /nfs/dbraw/zinc/15/44/17/908154417.db2.gz JXHJPJLNXWPAED-GOSISDBHSA-N 1 0 358.486 1.456 20 10 FDCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)COCC2 ZINC000921588670 908501197 /nfs/dbraw/zinc/50/11/97/908501197.db2.gz ZMDMUVDNPCMHSM-UHFFFAOYSA-N 1 0 374.460 1.883 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C)cc1C ZINC001082557257 908587790 /nfs/dbraw/zinc/58/77/90/908587790.db2.gz UUAWORHJVPAALV-DJIMGWMZSA-N 1 0 359.470 1.466 20 10 FDCDRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000765756170 908850935 /nfs/dbraw/zinc/85/09/35/908850935.db2.gz BNFLBAKDVGLEKY-SFHVURJKSA-N 1 0 368.547 1.371 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)C[C@H]2C)cc1C ZINC001082598834 908953165 /nfs/dbraw/zinc/95/31/65/908953165.db2.gz AXWVQXONBXYPDD-CRAIPNDOSA-N 1 0 369.465 1.953 20 10 FDCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC000997772476 909663076 /nfs/dbraw/zinc/66/30/76/909663076.db2.gz NLIGVKVGDIFLBI-IAGOWNOFSA-N 1 0 361.442 1.997 20 10 FDCDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000730842348 917357290 /nfs/dbraw/zinc/35/72/90/917357290.db2.gz XCJKGAOWOHVPAU-CHWSQXEVSA-N 1 0 369.487 1.756 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732273478 919290688 /nfs/dbraw/zinc/29/06/88/919290688.db2.gz AGMJBXCWFLQYLV-KRWDZBQOSA-N 1 0 365.499 1.022 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000732923573 920309485 /nfs/dbraw/zinc/30/94/85/920309485.db2.gz DPMFEGFAVPNFBN-LJQANCHMSA-N 1 0 360.502 1.418 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(COC)CC3)cc2F)CC1 ZINC000766969785 929027652 /nfs/dbraw/zinc/02/76/52/929027652.db2.gz VLOFQEBKLBRPJX-UHFFFAOYSA-N 1 0 364.465 1.946 20 10 FDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769863481 929705148 /nfs/dbraw/zinc/70/51/48/929705148.db2.gz IUTKRQMLXJLDPC-LBPRGKRZSA-N 1 0 355.460 1.368 20 10 FDCDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000787280240 932242342 /nfs/dbraw/zinc/24/23/42/932242342.db2.gz TZQJJTNYSNGBQQ-LLVKDONJSA-N 1 0 359.382 1.872 20 10 FDCDRO NC(=O)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787446937 932287652 /nfs/dbraw/zinc/28/76/52/932287652.db2.gz UHXIIERSTDPPDV-AWEZNQCLSA-N 1 0 353.850 1.782 20 10 FDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000787750828 932386325 /nfs/dbraw/zinc/38/63/25/932386325.db2.gz IJERYIIEPTWDNP-HZPDHXFCSA-N 1 0 360.502 1.920 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000788560886 932731875 /nfs/dbraw/zinc/73/18/75/932731875.db2.gz BYRHQCRSPXMVBW-ZVZYQTTQSA-N 1 0 358.486 1.673 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788566265 932741100 /nfs/dbraw/zinc/74/11/00/932741100.db2.gz ZNRMIMJZANNHSB-CHWSQXEVSA-N 1 0 368.528 1.485 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC(C)(F)C3)CC2)cc1 ZINC000792007605 934247086 /nfs/dbraw/zinc/24/70/86/934247086.db2.gz OGZGXWZCPCSQGQ-UHFFFAOYSA-N 1 0 364.465 1.961 20 10 FDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000804425139 938429146 /nfs/dbraw/zinc/42/91/46/938429146.db2.gz SMYLQJMVPZAOBI-CRAIPNDOSA-N 1 0 360.502 1.920 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804731965 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20 10 FDCDRO COc1c(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000809738223 940893741 /nfs/dbraw/zinc/89/37/41/940893741.db2.gz UDSDZPAKBOVJFO-AWEZNQCLSA-N 1 0 353.419 1.852 20 10 FDCDRO COc1cc(Br)cc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000810181496 940963907 /nfs/dbraw/zinc/96/39/07/940963907.db2.gz NQPFSCDFDVFPFF-UHFFFAOYSA-N 1 0 367.265 1.144 20 10 FDCDRO C[NH+]1CCC(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000813419437 941378933 /nfs/dbraw/zinc/37/89/33/941378933.db2.gz BDGVMRUZWXGGNP-SFHVURJKSA-N 1 0 372.513 1.736 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000817763963 942956181 /nfs/dbraw/zinc/95/61/81/942956181.db2.gz LJVMMEKRSPZYRK-IBGZPJMESA-N 1 0 372.513 1.796 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000817810671 942962726 /nfs/dbraw/zinc/96/27/26/942962726.db2.gz FNUXIVFVXXHSOX-HZPDHXFCSA-N 1 0 362.518 1.565 20 10 FDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000817832528 942993355 /nfs/dbraw/zinc/99/33/55/942993355.db2.gz SLUZRHMODYXSPH-SFHVURJKSA-N 1 0 370.497 1.527 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000817823278 943028297 /nfs/dbraw/zinc/02/82/97/943028297.db2.gz SZUIQOORTNXSMQ-XYJFISCASA-N 1 0 374.529 1.707 20 10 FDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888134 943044016 /nfs/dbraw/zinc/04/40/16/943044016.db2.gz BPOWDDRHGIWNNO-BPQIPLTHSA-N 1 0 360.502 1.245 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000817889887 943045040 /nfs/dbraw/zinc/04/50/40/943045040.db2.gz QCGGFQNJRRHKTC-MISYRCLQSA-N 1 0 372.513 1.245 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@H](C)[NH2+]1 ZINC000817927005 943064395 /nfs/dbraw/zinc/06/43/95/943064395.db2.gz XPGWBQUEAUUOED-GJZGRUSLSA-N 1 0 358.486 1.452 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000817933185 943084379 /nfs/dbraw/zinc/08/43/79/943084379.db2.gz ZHESRVONLPAYIG-HXUWFJFHSA-N 1 0 360.502 1.687 20 10 FDCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000818234202 943202986 /nfs/dbraw/zinc/20/29/86/943202986.db2.gz VETYMPPBCIMFBE-AWEZNQCLSA-N 1 0 360.414 1.822 20 10 FDCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000818234205 943203024 /nfs/dbraw/zinc/20/30/24/943203024.db2.gz VETYMPPBCIMFBE-CQSZACIVSA-N 1 0 360.414 1.822 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000818656296 943319208 /nfs/dbraw/zinc/31/92/08/943319208.db2.gz XDBNNNBHAKZPGQ-IIDMSEBBSA-N 1 0 362.474 1.279 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COC1CCOCC1 ZINC000818964180 943345234 /nfs/dbraw/zinc/34/52/34/943345234.db2.gz NESNMSWXVUEQFJ-GOSISDBHSA-N 1 0 366.527 1.886 20 10 FDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818965706 943346532 /nfs/dbraw/zinc/34/65/32/943346532.db2.gz DFDWFHWRVAJBMA-GDBMZVCRSA-N 1 0 356.438 1.164 20 10 FDCDRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818978777 943367603 /nfs/dbraw/zinc/36/76/03/943367603.db2.gz PTVASPPRDPAFBP-YJBOKZPZSA-N 1 0 350.459 1.878 20 10 FDCDRO CC[C@@](C)(C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)OC ZINC000819344891 943535219 /nfs/dbraw/zinc/53/52/19/943535219.db2.gz QETFAPUYOKFRJJ-ICSRJNTNSA-N 1 0 365.518 1.583 20 10 FDCDRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000819359287 943541120 /nfs/dbraw/zinc/54/11/20/943541120.db2.gz DNPCPKLHPKLMNG-POAQFYNOSA-N 1 0 363.502 1.335 20 10 FDCDRO C[N@H+](C[C@@H](O)CNc1ccccc1OCC(=O)Nc1cccnc1)C1CC1 ZINC000819471083 943604648 /nfs/dbraw/zinc/60/46/48/943604648.db2.gz LIGHXKQMWBSEBW-KRWDZBQOSA-N 1 0 370.453 1.966 20 10 FDCDRO COc1cc(N2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)cc(OC)c1OC ZINC000821927298 944765147 /nfs/dbraw/zinc/76/51/47/944765147.db2.gz ZHBLWMPBTWQTRX-CYBMUJFWSA-N 1 0 351.447 1.311 20 10 FDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000823509631 945819667 /nfs/dbraw/zinc/81/96/67/945819667.db2.gz HHFVPZFIXSDCMH-ZDUSSCGKSA-N 1 0 353.413 1.759 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC[C@H]3O)CC2)cc1 ZINC000824144510 946235721 /nfs/dbraw/zinc/23/57/21/946235721.db2.gz BMTQBRYKADVOKB-QZTJIDSGSA-N 1 0 362.474 1.030 20 10 FDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12COC2 ZINC000824489517 946468974 /nfs/dbraw/zinc/46/89/74/946468974.db2.gz LPEDZOMKXLVOKZ-GOSISDBHSA-N 1 0 360.454 1.535 20 10 FDCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001136986169 946967991 /nfs/dbraw/zinc/96/79/91/946967991.db2.gz HYRJWAULLVSJQM-HXUWFJFHSA-N 1 0 356.422 1.394 20 10 FDCDRO COc1cc(Br)cc(C[NH2+]CCN2CCC(O)CC2)c1O ZINC000825112224 946978979 /nfs/dbraw/zinc/97/89/79/946978979.db2.gz RRQYRRVEBRWPFR-UHFFFAOYSA-N 1 0 359.264 1.710 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825267053 947099201 /nfs/dbraw/zinc/09/92/01/947099201.db2.gz PSZALTOTLBGXMW-FUHWJXTLSA-N 1 0 350.484 1.579 20 10 FDCDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844380325 948038585 /nfs/dbraw/zinc/03/85/85/948038585.db2.gz RVPOWVYBSJUONY-VQIMIIECSA-N 1 0 363.502 1.731 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000844968568 948544479 /nfs/dbraw/zinc/54/44/79/948544479.db2.gz TWIZKCSKYBTYRO-KRWDZBQOSA-N 1 0 363.506 1.019 20 10 FDCDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845005918 948584697 /nfs/dbraw/zinc/58/46/97/948584697.db2.gz UDQSKGURUPIRRC-GFCCVEGCSA-N 1 0 368.865 1.432 20 10 FDCDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000857102677 971580967 /nfs/dbraw/zinc/58/09/67/971580967.db2.gz JBUXDNBNLGZQOH-OXQOHEQNSA-N 1 0 356.470 1.243 20 10 FDCDRO Oc1cc(O)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC001144500116 949697131 /nfs/dbraw/zinc/69/71/31/949697131.db2.gz PHYAVNLXMKASFF-UHFFFAOYSA-N 1 0 358.394 1.850 20 10 FDCDRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144507892 949732834 /nfs/dbraw/zinc/73/28/34/949732834.db2.gz DYZIWUWUCRQEAA-OAHLLOKOSA-N 1 0 369.421 1.837 20 10 FDCDRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144508607 949748720 /nfs/dbraw/zinc/74/87/20/949748720.db2.gz RRLTVJDIIQQLEE-OAHLLOKOSA-N 1 0 369.421 1.837 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c(O)c1 ZINC001144510225 949790752 /nfs/dbraw/zinc/79/07/52/949790752.db2.gz VAFURZZGMIDPDJ-LJQANCHMSA-N 1 0 372.425 1.322 20 10 FDCDRO CN(C)C(=O)c1cccnc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515643 949806816 /nfs/dbraw/zinc/80/68/16/949806816.db2.gz UEOHHQNOYXUYDL-UHFFFAOYSA-N 1 0 372.425 1.222 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCn2cnnn2)C1 ZINC000845797065 949951947 /nfs/dbraw/zinc/95/19/47/949951947.db2.gz KPPRQBFYAYBLPL-UHFFFAOYSA-N 1 0 367.457 1.211 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846349769 950981676 /nfs/dbraw/zinc/98/16/76/950981676.db2.gz XJHPNENPQVVTLE-UHFFFAOYSA-N 1 0 372.513 1.881 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)C1 ZINC000846672772 951437726 /nfs/dbraw/zinc/43/77/26/951437726.db2.gz KWXRGLHNJHISMD-BHIYHBOVSA-N 1 0 370.497 1.535 20 10 FDCDRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001144936083 951543740 /nfs/dbraw/zinc/54/37/40/951543740.db2.gz LZIUPUXDKZTKAB-QGZVFWFLSA-N 1 0 356.422 1.951 20 10 FDCDRO O=C(c1cccc(O)c1O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001148213461 952647699 /nfs/dbraw/zinc/64/76/99/952647699.db2.gz BMKRVFDDUVNMHB-HXPMCKFVSA-N 1 0 373.384 1.800 20 10 FDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC4(CC(C(=O)[O-])C4)O3)cc2)CC1 ZINC001593787208 954717590 /nfs/dbraw/zinc/71/75/90/954717590.db2.gz UGWJPTWGKPXIBH-MOMVYJMYSA-N 1 0 373.497 1.940 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CNC(=O)C2)C1 ZINC000774142577 961727832 /nfs/dbraw/zinc/72/78/32/961727832.db2.gz MJTFRRKITYOPHW-AWEZNQCLSA-N 1 0 355.438 1.840 20 10 FDCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000774690216 963312947 /nfs/dbraw/zinc/31/29/47/963312947.db2.gz PQUPUYJEEPIZON-HEHGZKQESA-N 1 0 351.399 1.361 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cn(C)cn3)CC2)cc1 ZINC001177852385 964001232 /nfs/dbraw/zinc/00/12/32/964001232.db2.gz VJBZAGWRWUOSMU-UHFFFAOYSA-N 1 0 371.485 1.300 20 10 FDCDRO CS(=O)(=O)N(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C[NH3+])cc1 ZINC001179689581 964944535 /nfs/dbraw/zinc/94/45/35/964944535.db2.gz SXROUSJGOXHHDH-WEVVVXLNSA-N 1 0 362.407 1.563 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCNC(=O)c2ccn[nH]2)c2cc(F)ccc2n1C ZINC001180317467 965214382 /nfs/dbraw/zinc/21/43/82/965214382.db2.gz GIDGEGKKUBYHIS-UHFFFAOYSA-N 1 0 373.388 1.347 20 10 FDCDRO C[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000775258043 967016473 /nfs/dbraw/zinc/01/64/73/967016473.db2.gz PLGOZYOMHOMTLF-CVEARBPZSA-N 1 0 352.500 1.999 20 10 FDCDRO CCC[N@H+](C)CC(C)(C)NCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000852715862 967550383 /nfs/dbraw/zinc/55/03/83/967550383.db2.gz AWWFKPJZJJLZAZ-UHFFFAOYSA-N 1 0 363.462 1.822 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000852761306 967588152 /nfs/dbraw/zinc/58/81/52/967588152.db2.gz UOVMKFCMIOGBSD-IBGZPJMESA-N 1 0 362.518 1.411 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)cc1 ZINC000852844011 967650676 /nfs/dbraw/zinc/65/06/76/967650676.db2.gz MWPWKEDRIDBAGA-AWEZNQCLSA-N 1 0 370.457 1.220 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852851304 967657579 /nfs/dbraw/zinc/65/75/79/967657579.db2.gz BSABPYPESKFFSL-OCCSQVGLSA-N 1 0 357.248 1.867 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3([NH2+]C4CC4)CCC3)cc2)C1 ZINC000852861472 967667136 /nfs/dbraw/zinc/66/71/36/967667136.db2.gz WEMNHHDFPDQSLU-INIZCTEOSA-N 1 0 370.497 1.679 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)C2)cc1 ZINC000852899631 967695250 /nfs/dbraw/zinc/69/52/50/967695250.db2.gz AYVHMZWJCDNSDC-BLLLJJGKSA-N 1 0 357.376 1.932 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)C1 ZINC000853097439 967828813 /nfs/dbraw/zinc/82/88/13/967828813.db2.gz AZJDWCZXRPBVHZ-APWZRJJASA-N 1 0 354.454 1.607 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H](C)c3nccn3C)CC2)cc1 ZINC000853124107 967845536 /nfs/dbraw/zinc/84/55/36/967845536.db2.gz CHHMRFQCVVVQNZ-SJLPKXTDSA-N 1 0 373.501 1.262 20 10 FDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122925 967845827 /nfs/dbraw/zinc/84/58/27/967845827.db2.gz VZCMHQMMIHKXDO-DNVCBOLYSA-N 1 0 352.475 1.150 20 10 FDCDRO Nc1nc(-n2cccn2)cc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]1 ZINC000853955367 968467187 /nfs/dbraw/zinc/46/71/87/968467187.db2.gz MGFRQXGOKHIDIY-UHFFFAOYSA-N 1 0 365.441 1.818 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(C)=NO3)CC2)cc1 ZINC000854308729 968762127 /nfs/dbraw/zinc/76/21/27/968762127.db2.gz BSJWTCGPWCXQHJ-GOSISDBHSA-N 1 0 360.458 1.488 20 10 FDCDRO CC(C)C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632032 969035947 /nfs/dbraw/zinc/03/59/47/969035947.db2.gz BBXQKROWVIJCMI-OCCSQVGLSA-N 1 0 353.488 1.761 20 10 FDCDRO O=C(c1ccc(O)c(O)c1Cl)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001193225682 969594439 /nfs/dbraw/zinc/59/44/39/969594439.db2.gz QYJKOAXARVCHLH-TXEJJXNPSA-N 1 0 352.818 1.686 20 10 FDCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 ZINC000854738891 969933789 /nfs/dbraw/zinc/93/37/89/969933789.db2.gz QFXBFNQCQHHWIP-QGZVFWFLSA-N 1 0 367.471 1.322 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000855287987 970271493 /nfs/dbraw/zinc/27/14/93/970271493.db2.gz DTBGEZRZSUYTNU-LBPRGKRZSA-N 1 0 355.460 1.366 20 10 FDCDRO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC[N@H+](CC)C1 ZINC000855491734 970414245 /nfs/dbraw/zinc/41/42/45/970414245.db2.gz SXSYIIWODRZICY-ZDUSSCGKSA-N 1 0 355.460 1.320 20 10 FDCDRO CCC(F)(F)CNC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000863577381 973028715 /nfs/dbraw/zinc/02/87/15/973028715.db2.gz XYSJAFKCBAGERY-MRXNPFEDSA-N 1 0 357.445 1.813 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC(=O)O3)CC2)cc1 ZINC000864616440 973687191 /nfs/dbraw/zinc/68/71/91/973687191.db2.gz JKETYNKZMWTPLQ-QGZVFWFLSA-N 1 0 361.442 1.029 20 10 FDCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000105318739 974552163 /nfs/dbraw/zinc/55/21/63/974552163.db2.gz MXDIRLJBRWNYOI-UHFFFAOYSA-N 1 0 355.486 1.856 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)Cn3cncn3)CC2)cc1 ZINC000850422068 978366191 /nfs/dbraw/zinc/36/61/91/978366191.db2.gz DPXGUISJSSVLOO-QGZVFWFLSA-N 1 0 358.490 1.477 20 10 FDCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000851685125 978996975 /nfs/dbraw/zinc/99/69/75/978996975.db2.gz PSSZIXNAKMITRY-HNNXBMFYSA-N 1 0 360.502 1.796 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851685535 978997328 /nfs/dbraw/zinc/99/73/28/978997328.db2.gz RPFXXDJMPAFGSU-MAUKXSAKSA-N 1 0 362.518 1.598 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000851687833 978999191 /nfs/dbraw/zinc/99/91/91/978999191.db2.gz JGBCGVQICOMHFZ-UHFFFAOYSA-N 1 0 360.502 1.735 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852063851 979319107 /nfs/dbraw/zinc/31/91/07/979319107.db2.gz SKMGWUXLHNZJRK-OAHLLOKOSA-N 1 0 350.463 1.151 20 10 FDCDRO C[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C(C)(C)C ZINC000880614393 979355932 /nfs/dbraw/zinc/35/59/32/979355932.db2.gz VABJQGAVJSMCPD-OAHLLOKOSA-N 1 0 369.487 1.566 20 10 FDCDRO CC(=O)c1cc(Cl)cc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1O ZINC000880999069 979568666 /nfs/dbraw/zinc/56/86/66/979568666.db2.gz FLWNYCGLXBUIIY-UHFFFAOYSA-N 1 0 363.849 1.336 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc2)CC1 ZINC000881849544 980209771 /nfs/dbraw/zinc/20/97/71/980209771.db2.gz FNVUJVCQLBQFGI-INIZCTEOSA-N 1 0 363.483 1.003 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C(=O)NC4CC4)CC3)cc2)CC1 ZINC000881851298 980213389 /nfs/dbraw/zinc/21/33/89/980213389.db2.gz HZDUPCSKFPBDCC-UHFFFAOYSA-N 1 0 356.470 1.113 20 10 FDCDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881851905 980214113 /nfs/dbraw/zinc/21/41/13/980214113.db2.gz DDPFJADBWRTQKP-UHFFFAOYSA-N 1 0 358.402 1.010 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnn3CC(F)F)cc2)CC1 ZINC000881853658 980218153 /nfs/dbraw/zinc/21/81/53/980218153.db2.gz FTHAFFFQGCOQGD-UHFFFAOYSA-N 1 0 363.412 1.830 20 10 FDCDRO COC(=O)Cc1occc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853681 980218651 /nfs/dbraw/zinc/21/86/51/980218651.db2.gz GGIBVVXFCUWIDQ-UHFFFAOYSA-N 1 0 371.437 1.677 20 10 FDCDRO CC[C@H](CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)OC ZINC000882663022 980803001 /nfs/dbraw/zinc/80/30/01/980803001.db2.gz PRWOEHKRONIIBR-QGZVFWFLSA-N 1 0 355.504 1.283 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC(C)(F)F)cc2)CC1 ZINC000882663122 980803024 /nfs/dbraw/zinc/80/30/24/980803024.db2.gz QJOMMFMSPJLFKI-UHFFFAOYSA-N 1 0 361.458 1.903 20 10 FDCDRO C[C@H]1C[C@H](S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000882662815 980803393 /nfs/dbraw/zinc/80/33/93/980803393.db2.gz MNQICGCGBBBZKP-MAUKXSAKSA-N 1 0 367.515 1.425 20 10 FDCDRO COCc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(OC)n1 ZINC000882880117 981770782 /nfs/dbraw/zinc/77/07/82/981770782.db2.gz CCSLKUCYCGOKSO-UHFFFAOYSA-N 1 0 357.458 1.996 20 10 FDCDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858153188 981867860 /nfs/dbraw/zinc/86/78/60/981867860.db2.gz IFAPDFUZORNEIZ-SNVBAGLBSA-N 1 0 363.277 1.668 20 10 FDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858244657 981938602 /nfs/dbraw/zinc/93/86/02/981938602.db2.gz YUQYDZLUFHBANN-CQSZACIVSA-N 1 0 354.414 1.597 20 10 FDCDRO CC(C)NC(=O)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883099546 981944325 /nfs/dbraw/zinc/94/43/25/981944325.db2.gz YXLXJJQPRLXNFC-UHFFFAOYSA-N 1 0 361.490 1.152 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)ncn3)cc2F)CC1 ZINC000131329474 982035875 /nfs/dbraw/zinc/03/58/75/982035875.db2.gz CEBCRIQQLQRCHS-UHFFFAOYSA-N 1 0 357.433 1.996 20 10 FDCDRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883296168 982054561 /nfs/dbraw/zinc/05/45/61/982054561.db2.gz GNFHYMXFCLRPKZ-GOSISDBHSA-N 1 0 352.500 1.705 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000858467964 982066076 /nfs/dbraw/zinc/06/60/76/982066076.db2.gz ZIICURLQGBJEAV-IFXJQAMLSA-N 1 0 350.459 1.667 20 10 FDCDRO C[C@H]([NH2+]CCN(C)CCOCCO)c1ccc(Br)cc1O ZINC000883350907 982092085 /nfs/dbraw/zinc/09/20/85/982092085.db2.gz SFTKYQAHDRFAGE-LBPRGKRZSA-N 1 0 361.280 1.746 20 10 FDCDRO Cn1nccc1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883618910 982315760 /nfs/dbraw/zinc/31/57/60/982315760.db2.gz VACZRJDNUPJNTO-UHFFFAOYSA-N 1 0 356.474 1.214 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ncnn21 ZINC000883769837 982456636 /nfs/dbraw/zinc/45/66/36/982456636.db2.gz CWSIVHPMEPTQIG-RHSMWYFYSA-N 1 0 369.473 1.535 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccnc(F)c3)cc2)CC1 ZINC000883801268 982479181 /nfs/dbraw/zinc/47/91/81/982479181.db2.gz 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COc1ccc(N2CCC(NC(=O)N(C)CCOCC[NH3+])CC2)cc1 ZINC000861572324 983782317 /nfs/dbraw/zinc/78/23/17/983782317.db2.gz OOEPVEJZQGHVIB-UHFFFAOYSA-N 1 0 350.463 1.281 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000861666745 983809893 /nfs/dbraw/zinc/80/98/93/983809893.db2.gz MDLHBTJRFYPMTG-UHFFFAOYSA-N 1 0 350.463 1.281 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](CO)C[NH+](C)C)ccc1C ZINC000861717953 983867911 /nfs/dbraw/zinc/86/79/11/983867911.db2.gz IVSSTABZHGJUEO-SFHVURJKSA-N 1 0 357.454 1.867 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012730 985070138 /nfs/dbraw/zinc/07/01/38/985070138.db2.gz KJDGYWFCTOXZLT-BCDXTJNWSA-N 1 0 372.513 1.748 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000886480252 986304108 /nfs/dbraw/zinc/30/41/08/986304108.db2.gz FGBGXUUSMIWQHE-MISYRCLQSA-N 1 0 363.502 1.023 20 10 FDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000886508997 986318870 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ZINC000873131378 988595749 /nfs/dbraw/zinc/59/57/49/988595749.db2.gz OPPMUYOBQOEASQ-KDURUIRLSA-N 1 0 356.470 1.893 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)cc1 ZINC000825727654 990254053 /nfs/dbraw/zinc/25/40/53/990254053.db2.gz HCRCOYDJBSWRRD-AWEZNQCLSA-N 1 0 355.442 1.458 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)cc1C ZINC000968714183 1015561909 /nfs/dbraw/zinc/56/19/09/1015561909.db2.gz GVEMREKTTIUHMH-KBRIMQKVSA-N 1 0 359.470 1.609 20 10 FDCDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000874835251 990558780 /nfs/dbraw/zinc/55/87/80/990558780.db2.gz XSEMLFCZYDILFJ-UONOGXRCSA-N 1 0 353.444 1.072 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000875088138 990869804 /nfs/dbraw/zinc/86/98/04/990869804.db2.gz XUZHIQZUSDDDFK-PKOBYXMFSA-N 1 0 372.513 1.702 20 10 FDCDRO CN1CCc2cc(CNC(=O)N3CC[NH+](CC4CCOCC4)CC3)ccc21 ZINC000372452463 991119104 /nfs/dbraw/zinc/11/91/04/991119104.db2.gz ANLBPZBRJWNUMF-UHFFFAOYSA-N 1 0 372.513 1.933 20 10 FDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1OC ZINC000373190873 991991890 /nfs/dbraw/zinc/99/18/90/991991890.db2.gz OOUBDZCVRGIQRO-SGTLLEGYSA-N 1 0 363.414 1.220 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cncc(N3CCCC3)n2)cc1 ZINC000876507178 992672274 /nfs/dbraw/zinc/67/22/74/992672274.db2.gz XJZJMZFDNPONIC-INIZCTEOSA-N 1 0 354.458 1.573 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000876507214 992672494 /nfs/dbraw/zinc/67/24/94/992672494.db2.gz YBWWFHJWUXUITG-UIAACRFSSA-N 1 0 359.470 1.991 20 10 FDCDRO Cc1ccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c(O)c1 ZINC000876685547 992794508 /nfs/dbraw/zinc/79/45/08/992794508.db2.gz GTIUINPQPSJKCK-UHFFFAOYSA-N 1 0 364.453 1.994 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])Cc3cccc(OC)c3)CC2)cc1 ZINC000876708604 992813382 /nfs/dbraw/zinc/81/33/82/992813382.db2.gz VHKCHXOUPQUCGS-HXUWFJFHSA-N 1 0 369.465 1.922 20 10 FDCDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876731880 992844784 /nfs/dbraw/zinc/84/47/84/992844784.db2.gz VPCOWCLQQRLCNX-CSPWOOARSA-N 1 0 361.461 1.959 20 10 FDCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876731883 992845209 /nfs/dbraw/zinc/84/52/09/992845209.db2.gz VPCOWCLQQRLCNX-ZDTYVGOBSA-N 1 0 361.461 1.959 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)/C=C/[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000876731933 992845600 /nfs/dbraw/zinc/84/56/00/992845600.db2.gz OUHKTQZNUBSTIC-HQWTUQCVSA-N 1 0 370.497 1.560 20 10 FDCDRO C[NH+](C)C[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876741970 992859496 /nfs/dbraw/zinc/85/94/96/992859496.db2.gz PXEOIBLTGFLYJD-HNNXBMFYSA-N 1 0 356.417 1.262 20 10 FDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCOC1 ZINC000877144972 993068795 /nfs/dbraw/zinc/06/87/95/993068795.db2.gz ATROGFRVIDWPFR-ZIFCJYIRSA-N 1 0 361.486 1.529 20 10 FDCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877352126 993238576 /nfs/dbraw/zinc/23/85/76/993238576.db2.gz BLYBPDZUYSXOKL-QGZVFWFLSA-N 1 0 358.486 1.684 20 10 FDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCOC1 ZINC000877407093 993275643 /nfs/dbraw/zinc/27/56/43/993275643.db2.gz ZAOAUJDBOOPTRE-HXUWFJFHSA-N 1 0 362.470 1.850 20 10 FDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877423895 993280115 /nfs/dbraw/zinc/28/01/15/993280115.db2.gz BUGQGGYBUNNJAN-WOJBJXKFSA-N 1 0 364.486 1.558 20 10 FDCDRO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877552498 993335801 /nfs/dbraw/zinc/33/58/01/993335801.db2.gz VCUHUBUVGDRGJE-IBGZPJMESA-N 1 0 371.485 1.569 20 10 FDCDRO C[C@]12C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@]1(C)C(=O)NC2=O ZINC000877668458 993426029 /nfs/dbraw/zinc/42/60/29/993426029.db2.gz IZIGMEVOTCVHGD-RTBURBONSA-N 1 0 361.417 1.147 20 10 FDCDRO CN1CCN(c2ccc(CN3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC001598622326 994021535 /nfs/dbraw/zinc/02/15/35/994021535.db2.gz CIVJYPVQJVQNMH-MRXNPFEDSA-N 1 0 364.465 1.026 20 10 FDCDRO CN1C[C@@H](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000924006034 994318182 /nfs/dbraw/zinc/31/81/82/994318182.db2.gz IGICXLNOQPJSFT-KRWDZBQOSA-N 1 0 373.501 1.106 20 10 FDCDRO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000879706790 995205505 /nfs/dbraw/zinc/20/55/05/995205505.db2.gz UHENVBCRGUSBRK-UHFFFAOYSA-N 1 0 363.502 1.838 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3cc(C)[nH]n3)CC2)cc1 ZINC000879746261 995245050 /nfs/dbraw/zinc/24/50/50/995245050.db2.gz BJAOXRNBVCDKSZ-QGZVFWFLSA-N 1 0 359.474 1.346 20 10 FDCDRO CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CC[NH+](C)CC4)cc3)C(=O)[C@@H]2C1 ZINC000925080010 995277911 /nfs/dbraw/zinc/27/79/11/995277911.db2.gz PLAMMQAAJHFWSL-MSOLQXFVSA-N 1 0 372.469 1.380 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](C[C@@H]4CCCO4)C3=O)cc2)CC1 ZINC000925079750 995278784 /nfs/dbraw/zinc/27/87/84/995278784.db2.gz NQCUARMJZYVJBP-ROUUACIJSA-N 1 0 372.469 1.428 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3[C@H]1CCC[N@@H+]3C)cc2=O 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372.513 1.931 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000881849639 980210794 /nfs/dbraw/zinc/21/07/94/980210794.db2.gz HJPKRXDJJHKOHV-MRXNPFEDSA-N 1 0 356.470 1.066 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccn4c(=O)[nH]nc34)cc2)CC1 ZINC000881852668 980216364 /nfs/dbraw/zinc/21/63/64/980216364.db2.gz YLVBRMIWKZHROI-UHFFFAOYSA-N 1 0 366.425 1.117 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC3CCOCC3)cc2)CC1 ZINC000882664606 980805033 /nfs/dbraw/zinc/80/50/33/980805033.db2.gz YKVQKJWKZDXOLC-UHFFFAOYSA-N 1 0 367.515 1.284 20 10 FDCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000858292983 981967921 /nfs/dbraw/zinc/96/79/21/981967921.db2.gz HXPYDRDQCUWWOP-UHFFFAOYSA-N 1 0 359.220 1.314 20 10 FDCDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883146095 981979083 /nfs/dbraw/zinc/97/90/83/981979083.db2.gz ABMDOVUNHJBFGB-UHFFFAOYSA-N 1 0 357.414 1.615 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNCc3cn(C[C@@H]4CCCO4)nn3)cc2)CC1 ZINC000883282890 982044015 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ZINC000885007887 985063398 /nfs/dbraw/zinc/06/33/98/985063398.db2.gz MCWHVSJXDXLNRD-ACHSLPGTSA-N 1 0 359.470 1.778 20 10 FDCDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000886321911 986067038 /nfs/dbraw/zinc/06/70/38/986067038.db2.gz BSHGZFXNIPURHN-UHFFFAOYSA-N 1 0 371.478 1.176 20 10 FDCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](O)[C@H](C)O)C1 ZINC000871137074 986700198 /nfs/dbraw/zinc/70/01/98/986700198.db2.gz KVENUYHAAPPRBP-IFXJQAMLSA-N 1 0 359.470 1.266 20 10 FDCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366133200 988452443 /nfs/dbraw/zinc/45/24/43/988452443.db2.gz ICMKLFAUNVCNTD-HXUWFJFHSA-N 1 0 358.486 1.760 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1Cn1cccn1 ZINC000873132028 988595319 /nfs/dbraw/zinc/59/53/19/988595319.db2.gz DJGIIZCHNQNNPI-MRXNPFEDSA-N 1 0 353.430 1.421 20 10 FDCDRO CCn1cc([C@@H](C)[NH2+]CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000296035409 988921351 /nfs/dbraw/zinc/92/13/51/988921351.db2.gz MTBJYSRKUYUTSY-MRXNPFEDSA-N 1 0 371.485 1.911 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1cc(F)ccc1O ZINC000363854031 989451627 /nfs/dbraw/zinc/45/16/27/989451627.db2.gz LPQCWZFLCPQGSQ-RHSMWYFYSA-N 1 0 365.449 1.505 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000297887703 989749627 /nfs/dbraw/zinc/74/96/27/989749627.db2.gz QMTZJQKBQDTDNE-SFHVURJKSA-N 1 0 356.470 1.184 20 10 FDCDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000874103081 989751141 /nfs/dbraw/zinc/75/11/41/989751141.db2.gz ZXJKDJAYWKXSLS-UHFFFAOYSA-N 1 0 369.421 1.814 20 10 FDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000874111446 989759011 /nfs/dbraw/zinc/75/90/11/989759011.db2.gz NZIPQMAGMZMUDM-IAGOWNOFSA-N 1 0 358.486 1.346 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCNC3=O)cc2F)CC1 ZINC000874439751 990281905 /nfs/dbraw/zinc/28/19/05/990281905.db2.gz LMIQRDWLWJCCGT-LJQANCHMSA-N 1 0 362.449 1.110 20 10 FDCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000371171474 990291181 /nfs/dbraw/zinc/29/11/81/990291181.db2.gz VWYRSCCDRUMFMK-LBPRGKRZSA-N 1 0 362.386 1.084 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000372557009 991211654 /nfs/dbraw/zinc/21/16/54/991211654.db2.gz LGHJCVYDCXMNDS-FQEVSTJZSA-N 1 0 358.486 1.313 20 10 FDCDRO [NH3+]C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCOC1 ZINC000876730100 992843530 /nfs/dbraw/zinc/84/35/30/992843530.db2.gz COTNZKOGHCKATA-SFHVURJKSA-N 1 0 351.422 1.034 20 10 FDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876731507 992845508 /nfs/dbraw/zinc/84/55/08/992845508.db2.gz RNAIRPBZZKXQAZ-QGBYBWSUSA-N 1 0 361.461 1.815 20 10 FDCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000876732175 992847295 /nfs/dbraw/zinc/84/72/95/992847295.db2.gz XUGCZTYKPCVACG-KSSFIOAISA-N 1 0 351.422 1.046 20 10 FDCDRO COC[C@@]1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCCC[NH2+]1 ZINC000876748519 992869586 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FDCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1 ZINC000877156945 993077361 /nfs/dbraw/zinc/07/73/61/993077361.db2.gz IMMLNDHTYFFHDH-UHFFFAOYSA-N 1 0 362.470 1.850 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)CC2)c(OC)c1 ZINC000877227929 993119212 /nfs/dbraw/zinc/11/92/12/993119212.db2.gz QPYADSLNCPWHPZ-KXBFYZLASA-N 1 0 363.458 1.119 20 10 FDCDRO CO[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000877582410 993356374 /nfs/dbraw/zinc/35/63/74/993356374.db2.gz VEPSIBWNFSCTJC-RHSMWYFYSA-N 1 0 356.413 1.943 20 10 FDCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(-n4cncn4)c3)cc2)CC1 ZINC000877673460 993431228 /nfs/dbraw/zinc/43/12/28/993431228.db2.gz FYOZJOUPOAVIBC-UHFFFAOYSA-N 1 0 364.453 1.913 20 10 FDCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877719802 993473588 /nfs/dbraw/zinc/47/35/88/993473588.db2.gz GDVKIAZZULZRNF-PHIMTYICSA-N 1 0 369.215 1.210 20 10 FDCDRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001598616084 993882090 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RTKAUQQVFAVFDA-WMZOPIPTSA-N 1 0 370.501 1.716 20 10 FDCDRO Cc1ccn(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)c1 ZINC000891249394 774107448 /nfs/dbraw/zinc/10/74/48/774107448.db2.gz SIZWVVQSGSQDMG-GOSISDBHSA-N 1 0 356.470 1.642 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000891251519 774133876 /nfs/dbraw/zinc/13/38/76/774133876.db2.gz FURXYAJFOAFEHN-BEFAXECRSA-N 1 0 355.486 2.000 20 10 FDCDRO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891443031 777513254 /nfs/dbraw/zinc/51/32/54/777513254.db2.gz XBRPBKDQBVWUPM-RIFZZMRRSA-N 1 0 358.486 1.835 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)cc1 ZINC000891489472 778127346 /nfs/dbraw/zinc/12/73/46/778127346.db2.gz RTBTYLLELJKHPE-MGPUTAFESA-N 1 0 358.486 1.915 20 10 FDCDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000934126156 781201177 /nfs/dbraw/zinc/20/11/77/781201177.db2.gz UCHXGMQZWGSCCJ-ZWKOTPCHSA-N 1 0 365.449 1.388 20 10 FDCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892013594 781210539 /nfs/dbraw/zinc/21/05/39/781210539.db2.gz LUKRXSFKKZDNMP-UHFFFAOYSA-N 1 0 372.487 1.655 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3nnc[nH]3)CC2)cc1 ZINC000177118730 784954611 /nfs/dbraw/zinc/95/46/11/784954611.db2.gz WEWNQTVKVCANDI-UHFFFAOYSA-N 1 0 372.473 1.074 20 10 FDCDRO CC[S@@](=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893156298 793415936 /nfs/dbraw/zinc/41/59/36/793415936.db2.gz QJNXVDFMXCQAOM-UPCLLVRISA-N 1 0 354.520 1.423 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cncnc3)CC2)cc1 ZINC000274402884 794060823 /nfs/dbraw/zinc/06/08/23/794060823.db2.gz ZIHCOOFLCRKVSE-UHFFFAOYSA-N 1 0 370.457 1.819 20 10 FDCDRO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001105084404 795189723 /nfs/dbraw/zinc/18/97/23/795189723.db2.gz RFRWRKNQRVQXQW-UMVBOHGHSA-N 1 0 361.446 1.918 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CC3(O)CCC3)CC2)cc1 ZINC000759875536 795973243 /nfs/dbraw/zinc/97/32/43/795973243.db2.gz BCSFYFOCTPKERZ-SFHVURJKSA-N 1 0 363.502 1.025 20 10 FDCDRO C[N@H+](CCCO)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093394972 804753195 /nfs/dbraw/zinc/75/31/95/804753195.db2.gz ZYIJQAMTLNAONR-UHFFFAOYSA-N 1 0 365.493 1.941 20 10 FDCDRO Cc1c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000893866162 809776416 /nfs/dbraw/zinc/77/64/16/809776416.db2.gz DRLUMPFVMTZQLK-SFHVURJKSA-N 1 0 358.490 1.897 20 10 FDCDRO COC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC000894102671 810001981 /nfs/dbraw/zinc/00/19/81/810001981.db2.gz PJNPHHIQDWEUFL-SJORKVTESA-N 1 0 352.479 1.316 20 10 FDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1OC ZINC000894113767 810107039 /nfs/dbraw/zinc/10/70/39/810107039.db2.gz JZWSLYHANKQLON-CQSZACIVSA-N 1 0 370.471 1.409 20 10 FDCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1O ZINC000894206276 810984393 /nfs/dbraw/zinc/98/43/93/810984393.db2.gz GIQWMXICLXHOSM-UHFFFAOYSA-N 1 0 364.467 1.918 20 10 FDCDRO CCOC(=O)Cn1cc(C[NH2+]Cc2ccccc2O)c(-c2cnn(C)c2)n1 ZINC000894212469 811222502 /nfs/dbraw/zinc/22/25/02/811222502.db2.gz BDMLXJHKDYGJNF-UHFFFAOYSA-N 1 0 369.425 1.842 20 10 FDCDRO COc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000271780221 814477503 /nfs/dbraw/zinc/47/75/03/814477503.db2.gz HNTGNDQAKCHALR-OAHLLOKOSA-N 1 0 363.458 1.148 20 10 FDCDRO CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894383907 817997044 /nfs/dbraw/zinc/99/70/44/817997044.db2.gz XWAVLPUWWGTBDT-PBHICJAKSA-N 1 0 363.506 1.521 20 10 FDCDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925056492 818017119 /nfs/dbraw/zinc/01/71/19/818017119.db2.gz WVLYJWAXJWSAMF-HUUCEWRRSA-N 1 0 352.500 1.682 20 10 FDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000895390213 822573437 /nfs/dbraw/zinc/57/34/37/822573437.db2.gz JVQICRLPFCIADW-LJQANCHMSA-N 1 0 350.459 1.415 20 10 FDCDRO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000895561268 822652200 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ZINC000842210287 845625084 /nfs/dbraw/zinc/62/50/84/845625084.db2.gz YPFPLCNEUYLPCU-OKILXGFUSA-N 1 0 364.465 1.497 20 10 FDCDRO CC(C)NC(=O)[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098004 845760133 /nfs/dbraw/zinc/76/01/33/845760133.db2.gz KDUUGZRWLGMBKD-YOEHRIQHSA-N 1 0 363.506 1.568 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(=O)N(C3CC3)C2)[NH+](C)C)cc1 ZINC000899097896 845772565 /nfs/dbraw/zinc/77/25/65/845772565.db2.gz IOBVZLUEHQLWCZ-QGZVFWFLSA-N 1 0 359.474 1.329 20 10 FDCDRO C[C@H]1C(=O)N(C)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105688 845780133 /nfs/dbraw/zinc/78/01/33/845780133.db2.gz YPHOSYAEYNYZLO-WMLDXEAASA-N 1 0 361.490 1.227 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)[NH+](C)C)cc1 ZINC000899098652 845791687 /nfs/dbraw/zinc/79/16/87/845791687.db2.gz QPVBELLTJXBUFN-RRNUEHDVSA-N 1 0 364.515 1.270 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2Cc3cncn3C2)[NH+](C)C)cc1 ZINC000899099153 845793839 /nfs/dbraw/zinc/79/38/39/845793839.db2.gz WELLVSNOXXWDMY-QAPCUYQASA-N 1 0 356.474 1.476 20 10 FDCDRO CNC(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899099363 845794709 /nfs/dbraw/zinc/79/47/09/845794709.db2.gz ZRIFPNDEZVDXBP-DOTOQJQBSA-N 1 0 361.490 1.133 20 10 FDCDRO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000906421159 852884625 /nfs/dbraw/zinc/88/46/25/852884625.db2.gz YHIPOWHNMBSLPD-INIZCTEOSA-N 1 0 360.502 1.194 20 10 FDCDRO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000055356737 862502573 /nfs/dbraw/zinc/50/25/73/862502573.db2.gz RYGJWNMCCBIESV-UHFFFAOYSA-N 1 0 364.453 1.880 20 10 FDCDRO CC[C@H](CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC000908459176 855442913 /nfs/dbraw/zinc/44/29/13/855442913.db2.gz ABPTTYYDGVHPDE-IAGOWNOFSA-N 1 0 357.520 1.700 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000908460721 855446414 /nfs/dbraw/zinc/44/64/14/855446414.db2.gz YHZMVXFHLVDIBL-MAUKXSAKSA-N 1 0 369.531 1.701 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)[C@H](c2cnn(C)c2)C1 ZINC000910943510 857952989 /nfs/dbraw/zinc/95/29/89/857952989.db2.gz NEIGEAIYKJADRS-MSOLQXFVSA-N 1 0 372.469 1.962 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)[C@@H](c2cnn(C)c2)C1 ZINC000910943511 857953127 /nfs/dbraw/zinc/95/31/27/857953127.db2.gz NEIGEAIYKJADRS-QZTJIDSGSA-N 1 0 372.469 1.962 20 10 FDCDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NCCCSc1nccs1 ZINC000911055359 858053212 /nfs/dbraw/zinc/05/32/12/858053212.db2.gz NRADUDAQSPMZME-BLLLJJGKSA-N 1 0 368.528 1.471 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911049074 858087169 /nfs/dbraw/zinc/08/71/69/858087169.db2.gz NZCBXSIWCOQHQQ-IIBYNOLFSA-N 1 0 372.513 1.463 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])ccc21 ZINC000911110459 858162919 /nfs/dbraw/zinc/16/29/19/858162919.db2.gz DENCPRRAJLUPPH-UTKZUKDTSA-N 1 0 370.497 1.415 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000911230184 858378172 /nfs/dbraw/zinc/37/81/72/858378172.db2.gz OKAOAKKHURAXIH-FQEVSTJZSA-N 1 0 358.486 1.504 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911441015 858623078 /nfs/dbraw/zinc/62/30/78/858623078.db2.gz PPFQTAMCHICNFT-YLJYHZDGSA-N 1 0 359.470 1.779 20 10 FDCDRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667341 858880026 /nfs/dbraw/zinc/88/00/26/858880026.db2.gz QGGFZWMTFWIMFE-LBPRGKRZSA-N 1 0 366.263 1.976 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[NH2+]CCN1C ZINC001121895826 869657887 /nfs/dbraw/zinc/65/78/87/869657887.db2.gz YWZJUWCGZANEPF-CYBMUJFWSA-N 1 0 356.264 1.407 20 10 FDCDRO COc1cc(I)cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235998809 882340580 /nfs/dbraw/zinc/34/05/80/882340580.db2.gz ZWJDQFDDJBGNKV-QMTHXVAHSA-N 1 0 374.222 1.929 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@H]2C)cc1C ZINC001106527404 875847401 /nfs/dbraw/zinc/84/74/01/875847401.db2.gz SRZOUOJRTGLRPD-BFYDXBDKSA-N 1 0 361.486 1.699 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 ZINC000922765518 879217458 /nfs/dbraw/zinc/21/74/58/879217458.db2.gz BEMSKRPPDCEPCH-UHFFFAOYSA-N 1 0 368.481 1.617 20 10 FDCDRO COC(=O)CC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000918742444 884900887 /nfs/dbraw/zinc/90/08/87/884900887.db2.gz YNZBKQFAWLLHLI-UHFFFAOYSA-N 1 0 361.486 1.986 20 10 FDCDRO COc1cccc([C@@H](O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000918856807 884962153 /nfs/dbraw/zinc/96/21/53/884962153.db2.gz BXUWSAIYASRTOQ-HXUWFJFHSA-N 1 0 369.465 1.797 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4n[nH]nc43)cc2)CC1 ZINC000918857763 884962939 /nfs/dbraw/zinc/96/29/39/884962939.db2.gz TVNWPMHNNMTZFT-UHFFFAOYSA-N 1 0 350.426 1.640 20 10 FDCDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(O)c1O ZINC000187145544 888953773 /nfs/dbraw/zinc/95/37/73/888953773.db2.gz VCNBTXGVDMQNOJ-UHFFFAOYSA-N 1 0 356.422 1.985 20 10 FDCDRO COc1cc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000183404528 895517970 /nfs/dbraw/zinc/51/79/70/895517970.db2.gz YDJYBCFHQGYJDK-UHFFFAOYSA-N 1 0 374.441 1.634 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](CO)CC(C)C)CC2)cc1 ZINC000185325060 900002081 /nfs/dbraw/zinc/00/20/81/900002081.db2.gz JVGMDZLSZJHOCB-GOSISDBHSA-N 1 0 363.502 1.683 20 10 FDCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000921528520 907598661 /nfs/dbraw/zinc/59/86/61/907598661.db2.gz ABWMCSKTBDRRAR-WBVHZDCISA-N 1 0 351.422 1.708 20 10 FDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000765758052 909011495 /nfs/dbraw/zinc/01/14/95/909011495.db2.gz HROWMPXRDPMCQN-INIZCTEOSA-N 1 0 368.547 1.371 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C)cc1C ZINC001082694382 909638398 /nfs/dbraw/zinc/63/83/98/909638398.db2.gz NKPPBNAKEFJRQI-DJIMGWMZSA-N 1 0 359.470 1.418 20 10 FDCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3OCCO[C@H]3C)C2)cc1C ZINC000998927669 911863262 /nfs/dbraw/zinc/86/32/62/911863262.db2.gz HYPMXUUIVTVGKM-TXIZYHGNSA-N 1 0 362.470 1.887 20 10 FDCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000282588382 922182643 /nfs/dbraw/zinc/18/26/43/922182643.db2.gz IJPNKEGVTPQRFZ-IBGZPJMESA-N 1 0 361.486 1.265 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nnn(C)n2)cc1C ZINC001085300746 923665677 /nfs/dbraw/zinc/66/56/77/923665677.db2.gz GMYKGCSKKSTIQL-HUUCEWRRSA-N 1 0 358.446 1.358 20 10 FDCDRO CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254886 925399100 /nfs/dbraw/zinc/39/91/00/925399100.db2.gz UAUSLHAHVIHCOJ-MSOLQXFVSA-N 1 0 374.529 1.758 20 10 FDCDRO C[NH+](C)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1 ZINC000769843012 929720931 /nfs/dbraw/zinc/72/09/31/929720931.db2.gz WNQLIQRKJHRXAY-UHFFFAOYSA-N 1 0 369.487 1.710 20 10 FDCDRO CCN(CCC[NH2+]Cc1ccc(Br)cc1O)S(C)(=O)=O ZINC000691488951 930591178 /nfs/dbraw/zinc/59/11/78/930591178.db2.gz PAXKMNRPQVTSOG-UHFFFAOYSA-N 1 0 365.293 1.916 20 10 FDCDRO O=C(C[NH2+][C@H](CCO)C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000771795306 930892696 /nfs/dbraw/zinc/89/26/96/930892696.db2.gz KEFUSFBINQTCLB-QGZVFWFLSA-N 1 0 365.449 1.029 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)cc1F ZINC000788020134 932536617 /nfs/dbraw/zinc/53/66/17/932536617.db2.gz XLYTZKJVXVKVLG-UHFFFAOYSA-N 1 0 368.453 1.244 20 10 FDCDRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000788386158 932688597 /nfs/dbraw/zinc/68/85/97/932688597.db2.gz ICKVBYATJNMRDD-HNNXBMFYSA-N 1 0 361.467 1.940 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788562184 932732072 /nfs/dbraw/zinc/73/20/72/932732072.db2.gz JQLQIKOWVACGQG-HKUYNNGSSA-N 1 0 372.513 1.844 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788583423 932747083 /nfs/dbraw/zinc/74/70/83/932747083.db2.gz KEZPFKQNVZWBHA-MJGOQNOKSA-N 1 0 368.481 1.422 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000788952379 932887104 /nfs/dbraw/zinc/88/71/04/932887104.db2.gz XOOYZMZLWGEYTQ-SFHVURJKSA-N 1 0 360.502 1.750 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000788955693 932888110 /nfs/dbraw/zinc/88/81/10/932888110.db2.gz ZJCPSEXTVBBZRH-WBVHZDCISA-N 1 0 372.513 1.890 20 10 FDCDRO COc1cccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1O ZINC000790027570 933326690 /nfs/dbraw/zinc/32/66/90/933326690.db2.gz WDGFZXHDSMZQOY-UHFFFAOYSA-N 1 0 350.440 1.941 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000790280396 933445615 /nfs/dbraw/zinc/44/56/15/933445615.db2.gz VWVGGCXFFXHDLH-HKUYNNGSSA-N 1 0 370.497 1.428 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000790272373 933460543 /nfs/dbraw/zinc/46/05/43/933460543.db2.gz DUHHUCVKDONELU-BMGDILEWSA-N 1 0 358.486 1.673 20 10 FDCDRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000793812273 938323973 /nfs/dbraw/zinc/32/39/73/938323973.db2.gz CVLYFCRGTWRNQI-UHFFFAOYSA-N 1 0 364.465 1.356 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804732732 938557958 /nfs/dbraw/zinc/55/79/58/938557958.db2.gz YBZCUNLCBSXMIH-QGZVFWFLSA-N 1 0 359.470 1.731 20 10 FDCDRO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805821990 938832575 /nfs/dbraw/zinc/83/25/75/938832575.db2.gz HLTRDABEMJNFHU-GOSISDBHSA-N 1 0 374.529 1.949 20 10 FDCDRO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000805822825 938832880 /nfs/dbraw/zinc/83/28/80/938832880.db2.gz SURWXTWJAAASIZ-SFHVURJKSA-N 1 0 360.502 1.607 20 10 FDCDRO O=C1N[C@@H](CF)C(=O)N1Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000806672540 939997398 /nfs/dbraw/zinc/99/73/98/939997398.db2.gz FKUABMMWQXAAIV-KRWDZBQOSA-N 1 0 360.433 1.609 20 10 FDCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807095798 940247528 /nfs/dbraw/zinc/24/75/28/940247528.db2.gz RCXWTXRHIIFLGW-MJGOQNOKSA-N 1 0 372.513 1.762 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000817807064 942961417 /nfs/dbraw/zinc/96/14/17/942961417.db2.gz MZQKZLXPZHRNMG-OAHLLOKOSA-N 1 0 360.502 1.319 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000817844600 943006840 /nfs/dbraw/zinc/00/68/40/943006840.db2.gz MCRBMWXHVWMLJO-UHFFFAOYSA-N 1 0 360.502 1.702 20 10 FDCDRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000817928226 943064796 /nfs/dbraw/zinc/06/47/96/943064796.db2.gz YVSFSPJOGHDHDZ-UHFFFAOYSA-N 1 0 372.469 1.552 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C[C@@H]3COCCN3)CC2)cc1 ZINC000817895359 943068980 /nfs/dbraw/zinc/06/89/80/943068980.db2.gz UECAQIOLJBAMJV-QZTJIDSGSA-N 1 0 362.518 1.174 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C[C@H]1[NH3+] ZINC000817914874 943075067 /nfs/dbraw/zinc/07/50/67/943075067.db2.gz AUDFESZSGRCFOC-RHSMWYFYSA-N 1 0 359.470 1.859 20 10 FDCDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000817915166 943075908 /nfs/dbraw/zinc/07/59/08/943075908.db2.gz IBJATFYSXBURGR-UHFFFAOYSA-N 1 0 373.453 1.957 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817917365 943076629 /nfs/dbraw/zinc/07/66/29/943076629.db2.gz BLARWQYLWNCLCS-FQEVSTJZSA-N 1 0 358.486 1.456 20 10 FDCDRO CC[C@@H]1CN(C(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000817919391 943078169 /nfs/dbraw/zinc/07/81/69/943078169.db2.gz RRUVGRHDWWBUNS-SJLPKXTDSA-N 1 0 360.502 1.687 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000817920443 943078914 /nfs/dbraw/zinc/07/89/14/943078914.db2.gz LOFRGKGNAKGVJC-UHFFFAOYSA-N 1 0 358.486 1.585 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COC1CC[NH2+]CC1 ZINC000817996508 943100266 /nfs/dbraw/zinc/10/02/66/943100266.db2.gz GHWAKQJWANOWLB-UHFFFAOYSA-N 1 0 370.833 1.316 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](C)CC[NH2+]3)cc2)CC1 ZINC000818000190 943102858 /nfs/dbraw/zinc/10/28/58/943102858.db2.gz JUYODGBCRPZMOB-DNVCBOLYSA-N 1 0 358.486 1.359 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)cc1 ZINC000818212132 943197160 /nfs/dbraw/zinc/19/71/60/943197160.db2.gz NIAFPMMMELVJEJ-INIZCTEOSA-N 1 0 370.457 1.174 20 10 FDCDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818978774 943367379 /nfs/dbraw/zinc/36/73/79/943367379.db2.gz PTVASPPRDPAFBP-CRAIPNDOSA-N 1 0 350.459 1.878 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000818982016 943370514 /nfs/dbraw/zinc/37/05/14/943370514.db2.gz CARKAPMPWLORIJ-HXUWFJFHSA-N 1 0 374.460 1.675 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCc3ccncc3)CC2)cc1 ZINC000818973115 943389637 /nfs/dbraw/zinc/38/96/37/943389637.db2.gz RMQXGAHDLILSBF-HXUWFJFHSA-N 1 0 370.497 1.405 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CCSC)CC2)cc1 ZINC000819088596 943414660 /nfs/dbraw/zinc/41/46/60/943414660.db2.gz USKDOOCBNYSGGT-AEFFLSMTSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@]3(C)CCCO3)CC2)cc1 ZINC000819146285 943439921 /nfs/dbraw/zinc/43/99/21/943439921.db2.gz TWEGNJYORUUAEF-ICSRJNTNSA-N 1 0 363.502 1.337 20 10 FDCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120842 943447783 /nfs/dbraw/zinc/44/77/83/943447783.db2.gz FYFGUXJLXSHYBP-QGZVFWFLSA-N 1 0 354.466 1.910 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1CC1([NH+]2CCCC2)CCOCC1 ZINC000819167672 943457868 /nfs/dbraw/zinc/45/78/68/943457868.db2.gz FMYPBHFMLIVFSY-UHFFFAOYSA-N 1 0 373.453 1.801 20 10 FDCDRO C[C@@H]1C[N@H+](CCCN2C(=O)CN(Cc3ccccc3O)C2=O)CCCO1 ZINC000819168341 943458445 /nfs/dbraw/zinc/45/84/45/943458445.db2.gz OASJHHXCMVSRSD-OAHLLOKOSA-N 1 0 361.442 1.657 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CSC3(C)C)CC2)cc1 ZINC000819299425 943509207 /nfs/dbraw/zinc/50/92/07/943509207.db2.gz VAFMRHVFZUCWIS-AEFFLSMTSA-N 1 0 365.543 1.662 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CSC3(C)C)CC2)cc1 ZINC000819299427 943509465 /nfs/dbraw/zinc/50/94/65/943509465.db2.gz VAFMRHVFZUCWIS-SJLPKXTDSA-N 1 0 365.543 1.662 20 10 FDCDRO CN1CC[NH+](C[C@H](O)CNc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000819427305 943582633 /nfs/dbraw/zinc/58/26/33/943582633.db2.gz SESJKONJCBSLAV-QZTJIDSGSA-N 1 0 363.502 1.655 20 10 FDCDRO COc1cccc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1O ZINC000820080576 943883159 /nfs/dbraw/zinc/88/31/59/943883159.db2.gz DMMBMOOLSBDTNC-AWEZNQCLSA-N 1 0 352.479 1.472 20 10 FDCDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000823199622 945561847 /nfs/dbraw/zinc/56/18/47/945561847.db2.gz ALKYMONDMFPTOZ-KRWDZBQOSA-N 1 0 360.502 1.370 20 10 FDCDRO O=C(N1C[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1)C(F)(F)F ZINC000824827109 946825307 /nfs/dbraw/zinc/82/53/07/946825307.db2.gz ALZXTMKFSACDDA-ZYHUDNBSSA-N 1 0 372.343 1.964 20 10 FDCDRO O=C([C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N1CCc2cccc(O)c2C1 ZINC001143672005 947442206 /nfs/dbraw/zinc/44/22/06/947442206.db2.gz WWWZFEOOXFFMQN-VQTJNVASSA-N 1 0 352.434 1.912 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000844175478 947818760 /nfs/dbraw/zinc/81/87/60/947818760.db2.gz NRPGVZJFUCFPMB-INIZCTEOSA-N 1 0 353.413 1.979 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001144508778 949780353 /nfs/dbraw/zinc/78/03/53/949780353.db2.gz YAWQIMCZAUYJPK-DOTOQJQBSA-N 1 0 371.437 1.674 20 10 FDCDRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509386 949786138 /nfs/dbraw/zinc/78/61/38/949786138.db2.gz AKUSUJRZTKBIFV-IIYDPXPESA-N 1 0 350.415 1.119 20 10 FDCDRO COCCOCCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000846115757 950513162 /nfs/dbraw/zinc/51/31/62/950513162.db2.gz ADGOCVZICDWFNR-UHFFFAOYSA-N 1 0 358.866 1.835 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1O ZINC000846165254 950590342 /nfs/dbraw/zinc/59/03/42/950590342.db2.gz NOQMOJAWZUHCLD-HIFRSBDPSA-N 1 0 358.442 1.976 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000846933613 951702141 /nfs/dbraw/zinc/70/21/41/951702141.db2.gz VBPXRHPUWCIBLB-HXUWFJFHSA-N 1 0 374.529 1.508 20 10 FDCDRO O=C(c1cccc(O)c1O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001148213460 952647496 /nfs/dbraw/zinc/64/74/96/952647496.db2.gz BMKRVFDDUVNMHB-CWTRNNRKSA-N 1 0 373.384 1.800 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C)cc1C ZINC001093744414 958753140 /nfs/dbraw/zinc/75/31/40/958753140.db2.gz ULXIXUWBMAFJJT-FVQBIDKESA-N 1 0 361.442 1.296 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C)cc1C ZINC001093975768 959523050 /nfs/dbraw/zinc/52/30/50/959523050.db2.gz ZJHFKWFSWSWAOV-UKRRQHHQSA-N 1 0 358.446 1.025 20 10 FDCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)cc1 ZINC001172180529 961555090 /nfs/dbraw/zinc/55/50/90/961555090.db2.gz DBGZVMSGDKFNAN-MOPGFXCFSA-N 1 0 373.497 1.987 20 10 FDCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183574308 963148356 /nfs/dbraw/zinc/14/83/56/963148356.db2.gz NQIZDFZDZRHKLS-MRXNPFEDSA-N 1 0 356.422 1.984 20 10 FDCDRO CCC(=O)N1CCC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001177428777 963839206 /nfs/dbraw/zinc/83/92/06/963839206.db2.gz HOQJRUCOPPEHJP-QGZVFWFLSA-N 1 0 372.513 1.879 20 10 FDCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001180510772 965349569 /nfs/dbraw/zinc/34/95/69/965349569.db2.gz RDGVWYLZGODLNM-ALCCZGGFSA-N 1 0 360.454 1.950 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775259418 967024190 /nfs/dbraw/zinc/02/41/90/967024190.db2.gz SHGQVJSYDHKIMF-CQSZACIVSA-N 1 0 362.474 1.798 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[N@H+](CC)C[C@@H]1C)cc2=O ZINC000852167687 967043639 /nfs/dbraw/zinc/04/36/39/967043639.db2.gz YIRALFKCRHDMQB-ZDUSSCGKSA-N 1 0 361.446 1.528 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(C(F)(F)F)cnn2C)cc1 ZINC000852791080 967609193 /nfs/dbraw/zinc/60/91/93/967609193.db2.gz CLBOUGKSPXHLOJ-CYBMUJFWSA-N 1 0 355.364 1.935 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000852843772 967650280 /nfs/dbraw/zinc/65/02/80/967650280.db2.gz GQGFGOMMXWXJAE-ZIAGYGMSSA-N 1 0 355.442 1.504 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)cc1 ZINC000852843771 967650444 /nfs/dbraw/zinc/65/04/44/967650444.db2.gz GQGFGOMMXWXJAE-UONOGXRCSA-N 1 0 355.442 1.504 20 10 FDCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862855 967668615 /nfs/dbraw/zinc/66/86/15/967668615.db2.gz LINTVYFYVAFCDQ-CVEARBPZSA-N 1 0 369.412 1.737 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]([NH3+])COC(C)C ZINC000852883494 967687031 /nfs/dbraw/zinc/68/70/31/967687031.db2.gz GJXCQKVEPRPTOX-ZDUSSCGKSA-N 1 0 358.822 1.300 20 10 FDCDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775369951 967714917 /nfs/dbraw/zinc/71/49/17/967714917.db2.gz JGNVCPWQRZVTNR-IUODEOHRSA-N 1 0 352.431 1.755 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)C1 ZINC000853097443 967828775 /nfs/dbraw/zinc/82/87/75/967828775.db2.gz AZJDWCZXRPBVHZ-VQIMIIECSA-N 1 0 354.454 1.607 20 10 FDCDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122978 967846142 /nfs/dbraw/zinc/84/61/42/967846142.db2.gz XEGLIXXMADPLGU-GOSISDBHSA-N 1 0 350.459 1.442 20 10 FDCDRO CC(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632181 969036792 /nfs/dbraw/zinc/03/67/92/969036792.db2.gz FWQVMXJYWFNWIZ-HIFRSBDPSA-N 1 0 363.458 1.405 20 10 FDCDRO Nc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001193955361 969932739 /nfs/dbraw/zinc/93/27/39/969932739.db2.gz DMZXXVXSIMPYHY-UHFFFAOYSA-N 1 0 361.467 1.917 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855163935 970190589 /nfs/dbraw/zinc/19/05/89/970190589.db2.gz GKUFRAQKDSRTCK-GFCCVEGCSA-N 1 0 355.460 1.366 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)cc1 ZINC000863968880 973339417 /nfs/dbraw/zinc/33/94/17/973339417.db2.gz PZTDOUCGCBVQOU-KRWDZBQOSA-N 1 0 350.459 1.110 20 10 FDCDRO COc1c[nH+]ccc1N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794704318 973670170 /nfs/dbraw/zinc/67/01/70/973670170.db2.gz GDNSIECZZDMPIV-KRWDZBQOSA-N 1 0 357.410 1.544 20 10 FDCDRO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199271174 974107300 /nfs/dbraw/zinc/10/73/00/974107300.db2.gz WGOZWJVWHGHUHA-HUUCEWRRSA-N 1 0 363.418 1.049 20 10 FDCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)C2)cc1 ZINC000865622341 974388715 /nfs/dbraw/zinc/38/87/15/974388715.db2.gz SUUKISLKOOMBCB-KXBFYZLASA-N 1 0 357.458 1.834 20 10 FDCDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000865655748 974406157 /nfs/dbraw/zinc/40/61/57/974406157.db2.gz MFFIFCVFWVMMIM-INIZCTEOSA-N 1 0 351.466 1.597 20 10 FDCDRO CCOCc1cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)ccc1OC ZINC000865769275 974473256 /nfs/dbraw/zinc/47/32/56/974473256.db2.gz VPSRHZYBTJEOJJ-GOSISDBHSA-N 1 0 350.415 1.543 20 10 FDCDRO O=C1COC[C@@]2(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)COCCN12 ZINC000865797661 974500104 /nfs/dbraw/zinc/50/01/04/974500104.db2.gz KJRQKYPHCAGUNI-OAQYLSRUSA-N 1 0 368.433 1.777 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000867428313 975238118 /nfs/dbraw/zinc/23/81/18/975238118.db2.gz JKVJHTKSEIVCEN-HNNXBMFYSA-N 1 0 355.504 1.393 20 10 FDCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)ccc1O ZINC000776253878 975254345 /nfs/dbraw/zinc/25/43/45/975254345.db2.gz WJPBFQUIAYOSQQ-SFHVURJKSA-N 1 0 358.438 1.864 20 10 FDCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(N2CCCCC2)cc1 ZINC000866554343 975782860 /nfs/dbraw/zinc/78/28/60/975782860.db2.gz HAIDVXQUXBVUMY-UWJYYQICSA-N 1 0 373.497 1.955 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]4C[NH2+]CC[C@H]43)CC2)cc1 ZINC000866715563 975951752 /nfs/dbraw/zinc/95/17/52/975951752.db2.gz CUIIAXBBYIQXLT-YLJYHZDGSA-N 1 0 372.513 1.418 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848938452 977264308 /nfs/dbraw/zinc/26/43/08/977264308.db2.gz ZZPXICCDWBENON-TXPKVOOTSA-N 1 0 374.529 1.565 20 10 FDCDRO [NH2+]=C(NCCCSc1nccs1)N1CCN(c2ncccn2)CC1 ZINC000849100652 977314988 /nfs/dbraw/zinc/31/49/88/977314988.db2.gz PKCCJPKRDSBCPX-UHFFFAOYSA-N 1 0 363.516 1.762 20 10 FDCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327681 977429868 /nfs/dbraw/zinc/42/98/68/977429868.db2.gz UHMRVSKACNKTQJ-GOSISDBHSA-N 1 0 370.515 1.187 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000868356697 977525014 /nfs/dbraw/zinc/52/50/14/977525014.db2.gz DKVQHRYZPUSCTF-OAQYLSRUSA-N 1 0 374.529 1.935 20 10 FDCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1O ZINC000849563234 977754825 /nfs/dbraw/zinc/75/48/25/977754825.db2.gz JEHYWNJIAPVJNB-CVEARBPZSA-N 1 0 358.442 1.486 20 10 FDCDRO COc1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850339245 978323197 /nfs/dbraw/zinc/32/31/97/978323197.db2.gz NZKOKFNHDQWCIP-ZDUSSCGKSA-N 1 0 356.488 1.822 20 10 FDCDRO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c(C(C)(C)C)c1 ZINC000850361618 978336277 /nfs/dbraw/zinc/33/62/77/978336277.db2.gz UEWALGDHBPJQAX-CABCVRRESA-N 1 0 357.472 1.600 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850435042 978370156 /nfs/dbraw/zinc/37/01/56/978370156.db2.gz GNICUJXHSVKYFV-INIZCTEOSA-N 1 0 350.484 1.723 20 10 FDCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@H]1F ZINC000851654512 978985488 /nfs/dbraw/zinc/98/54/88/978985488.db2.gz DIUDLBBNUZSGOQ-GDBMZVCRSA-N 1 0 368.428 1.368 20 10 FDCDRO C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000851655312 978985782 /nfs/dbraw/zinc/98/57/82/978985782.db2.gz OYNSHTUYLQFIDX-IAOVAPTHSA-N 1 0 350.438 1.665 20 10 FDCDRO O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851668863 978991118 /nfs/dbraw/zinc/99/11/18/978991118.db2.gz VXKAZIMQKRZNST-UHFFFAOYSA-N 1 0 358.486 1.757 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851683043 978995909 /nfs/dbraw/zinc/99/59/09/978995909.db2.gz XTFHZCCGRPCSDM-UHFFFAOYSA-N 1 0 358.446 1.439 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000851688610 978999535 /nfs/dbraw/zinc/99/95/35/978999535.db2.gz DSRYRELDSJEEHV-VKJFTORMSA-N 1 0 374.485 1.024 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)cc1 ZINC000881083495 979644153 /nfs/dbraw/zinc/64/41/53/979644153.db2.gz CWJXAWQFGJXVAE-PKOBYXMFSA-N 1 0 372.473 1.182 20 10 FDCDRO Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])CO)nn2)c(C)n1-c1cccc(C)c1 ZINC000881228047 979753942 /nfs/dbraw/zinc/75/39/42/979753942.db2.gz NALQEZDUKZTBKC-KRWDZBQOSA-N 1 0 353.426 1.869 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@@H]([NH3+])CO)nn2)c(C)n1-c1ccccc1C ZINC000881227821 979753982 /nfs/dbraw/zinc/75/39/82/979753982.db2.gz JLUPKCNGXFRJBS-MRXNPFEDSA-N 1 0 367.453 1.739 20 10 FDCDRO COC1CCN(c2ccc(Cn3cc(CN4CC[NH2+]CC4)nn3)cc2)CC1 ZINC000881380330 979897481 /nfs/dbraw/zinc/89/74/81/979897481.db2.gz PCSNGDOROWDMJA-UHFFFAOYSA-N 1 0 370.501 1.347 20 10 FDCDRO Cc1cc(C)n(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881849170 980209946 /nfs/dbraw/zinc/20/99/46/980209946.db2.gz JYBDUTXAKWGOTH-UHFFFAOYSA-N 1 0 355.486 1.958 20 10 FDCDRO CCOC(=O)[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C 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C[NH+]1CCC(COc2cnc(NCCc3cc(O)c(O)cc3O)nc2)CC1 ZINC001168005750 820314574 /nfs/dbraw/zinc/31/45/74/820314574.db2.gz FZIVRXXDMCNQAI-UHFFFAOYSA-N 1 0 374.441 1.969 20 10 FDCDRO CCN1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1=O ZINC000895186934 821582412 /nfs/dbraw/zinc/58/24/12/821582412.db2.gz ZIEWHUQNBBDYEG-NVXWUHKLSA-N 1 0 361.490 1.275 20 10 FDCDRO CCn1nc(C)c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000895435438 822595862 /nfs/dbraw/zinc/59/58/62/822595862.db2.gz JGSJTVGQGLDNMJ-GOSISDBHSA-N 1 0 373.505 1.775 20 10 FDCDRO COc1ccc(N2CCC([NH2+][C@H]3C(=O)NCC34CCOCC4)CC2)cc1 ZINC000895772407 822736541 /nfs/dbraw/zinc/73/65/41/822736541.db2.gz QLUMGTJBLKOPMU-SFHVURJKSA-N 1 0 359.470 1.549 20 10 FDCDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813276 822756504 /nfs/dbraw/zinc/75/65/04/822756504.db2.gz BMOXJWORHYVTQG-UHFFFAOYSA-N 1 0 353.470 1.964 20 10 FDCDRO COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC[N@H+](C)C1 ZINC000840499452 824282933 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FDCDRO COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1(F)F ZINC000898449711 844697614 /nfs/dbraw/zinc/69/76/14/844697614.db2.gz JJVUZWQOCYOOKH-OAGGEKHMSA-N 1 0 355.429 1.999 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)cc1 ZINC000898580056 844892362 /nfs/dbraw/zinc/89/23/62/844892362.db2.gz ARXJFFOSIHXZLU-INIZCTEOSA-N 1 0 359.470 1.501 20 10 FDCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]21 ZINC000842171520 845278185 /nfs/dbraw/zinc/27/81/85/845278185.db2.gz UFHPQFFSRAZRFR-QXAKKESOSA-N 1 0 368.481 1.265 20 10 FDCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842177748 845376778 /nfs/dbraw/zinc/37/67/78/845376778.db2.gz IUIQDTWSSLPREH-JKSUJKDBSA-N 1 0 360.502 1.666 20 10 FDCDRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000842227543 845762629 /nfs/dbraw/zinc/76/26/29/845762629.db2.gz SQHNXWFPQRTHAT-QGZVFWFLSA-N 1 0 359.470 1.907 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC2CCC([NH3+])CC2)C2CC2)cc1 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C[NH+](C)CCN1CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819166580 943457167 /nfs/dbraw/zinc/45/71/67/943457167.db2.gz YJSLJGPZRBONND-UHFFFAOYSA-N 1 0 360.458 1.182 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)c3ccc[nH]3)CC2)cc1 ZINC000819194969 943470514 /nfs/dbraw/zinc/47/05/14/943470514.db2.gz WAKAWNQADGUYBX-SJLPKXTDSA-N 1 0 358.486 1.857 20 10 FDCDRO CCOC[C@H](C)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819244229 943481038 /nfs/dbraw/zinc/48/10/38/943481038.db2.gz LZFDODDYWRPVCZ-WMZOPIPTSA-N 1 0 351.491 1.193 20 10 FDCDRO CCn1ccc(CNC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000819370987 943561584 /nfs/dbraw/zinc/56/15/84/943561584.db2.gz WOUNHDWFQRDNEF-IBGZPJMESA-N 1 0 373.501 1.184 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000819376892 943564255 /nfs/dbraw/zinc/56/42/55/943564255.db2.gz JXGBMXQDGCQSCZ-HNNXBMFYSA-N 1 0 354.516 1.521 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000819585248 943635074 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Cc1nc(CN2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)no1 ZINC000775685419 971392488 /nfs/dbraw/zinc/39/24/88/971392488.db2.gz LLAKBXYQWUGKLN-UHFFFAOYSA-N 1 0 370.501 1.448 20 10 FDCDRO O=C(Cc1nc[nH]n1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000867152686 971414056 /nfs/dbraw/zinc/41/40/56/971414056.db2.gz NFIXCONKVNGVRD-UHFFFAOYSA-N 1 0 354.458 1.196 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000844191571 947830246 /nfs/dbraw/zinc/83/02/46/947830246.db2.gz XPMNUVISTOZKLH-IBGZPJMESA-N 1 0 374.529 1.712 20 10 FDCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144507879 949732975 /nfs/dbraw/zinc/73/29/75/949732975.db2.gz DNXQYUBBBQIHAW-KYOSRNDESA-N 1 0 350.415 1.022 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857244068 971670548 /nfs/dbraw/zinc/67/05/48/971670548.db2.gz DPJRLHKTHJRWKP-UTKZUKDTSA-N 1 0 372.513 1.829 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C2CC2)cc1 ZINC000857245552 971671558 /nfs/dbraw/zinc/67/15/58/971671558.db2.gz SXAGSOOLYFESEU-HRAATJIYSA-N 1 0 370.497 1.583 20 10 FDCDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C(C)(C)C1 ZINC000846103059 950560129 /nfs/dbraw/zinc/56/01/29/950560129.db2.gz LAIBWXRWDUGKSI-UHFFFAOYSA-N 1 0 353.419 1.852 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)cc1F ZINC000846186379 950665923 /nfs/dbraw/zinc/66/59/23/950665923.db2.gz BEDKHWNQVUJTCS-UHFFFAOYSA-N 1 0 350.438 1.795 20 10 FDCDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000846188303 950668135 /nfs/dbraw/zinc/66/81/35/950668135.db2.gz NFVOSOWRLPXEIZ-GXSJLCMTSA-N 1 0 363.277 1.839 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846672027 951436029 /nfs/dbraw/zinc/43/60/29/951436029.db2.gz ATJJOTZJVBSDRX-ZWKOTPCHSA-N 1 0 361.461 1.934 20 10 FDCDRO C[NH+]1CCC2(CCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000857454017 971776069 /nfs/dbraw/zinc/77/60/69/971776069.db2.gz ROOFVMYPEGFODH-UHFFFAOYSA-N 1 0 353.444 1.074 20 10 FDCDRO CCC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2-c2ccc(OC)cc2)[C@H](C)C1 ZINC001093601148 958360220 /nfs/dbraw/zinc/36/02/20/958360220.db2.gz ZHALCYWIGBYNPY-ZIAGYGMSSA-N 1 0 358.446 1.265 20 10 FDCDRO COc1cc(I)cc(CN2CC([NH+](C)C)C2)c1O ZINC001248391186 960575272 /nfs/dbraw/zinc/57/52/72/960575272.db2.gz NNZDMPVSQQYKPG-UHFFFAOYSA-N 1 0 362.211 1.751 20 10 FDCDRO C[NH+](C)C1(CNC(=O)C(=O)NCCCSc2nccs2)CCCC1 ZINC000774862224 963909608 /nfs/dbraw/zinc/90/96/08/963909608.db2.gz WTSSDMWEJIYGDZ-UHFFFAOYSA-N 1 0 370.544 1.732 20 10 FDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NC2(CO)CC[NH+](C)CC2)c1 ZINC001186850406 964771434 /nfs/dbraw/zinc/77/14/34/964771434.db2.gz HYFKWRGFBFHVSC-UHFFFAOYSA-N 1 0 357.454 1.986 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)cc1 ZINC000852819806 967631919 /nfs/dbraw/zinc/63/19/19/967631919.db2.gz HJUNVCAFUWMITJ-GJZGRUSLSA-N 1 0 369.469 1.752 20 10 FDCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122979 967845936 /nfs/dbraw/zinc/84/59/36/967845936.db2.gz XEGLIXXMADPLGU-SFHVURJKSA-N 1 0 350.459 1.442 20 10 FDCDRO O=C(NC/C=C\CO)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000853944076 968456452 /nfs/dbraw/zinc/45/64/52/968456452.db2.gz ZCIFPSKBEMCLMT-UPHRSURJSA-N 1 0 358.486 1.566 20 10 FDCDRO CC(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632182 969036909 /nfs/dbraw/zinc/03/69/09/969036909.db2.gz FWQVMXJYWFNWIZ-ZFWWWQNUSA-N 1 0 363.458 1.405 20 10 FDCDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775837021 972961562 /nfs/dbraw/zinc/96/15/62/972961562.db2.gz QERIHLWGRIKGCK-YOEHRIQHSA-N 1 0 367.515 1.439 20 10 FDCDRO O=C1COC[C@]2(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)COCCN12 ZINC000865797659 974498867 /nfs/dbraw/zinc/49/88/67/974498867.db2.gz KJRQKYPHCAGUNI-NRFANRHFSA-N 1 0 368.433 1.777 20 10 FDCDRO C[N@H+]1CC=C(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000776038216 974610090 /nfs/dbraw/zinc/61/00/90/974610090.db2.gz VOBWZCKEDWRTHG-UHFFFAOYSA-N 1 0 362.449 1.723 20 10 FDCDRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000776082609 974751350 /nfs/dbraw/zinc/75/13/50/974751350.db2.gz JQHAMFZEIYSPDP-UHFFFAOYSA-N 1 0 364.467 1.915 20 10 FDCDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000866582128 975808730 /nfs/dbraw/zinc/80/87/30/975808730.db2.gz HHRIAWUESAKEPS-UHFFFAOYSA-N 1 0 367.515 1.429 20 10 FDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848217207 976490692 /nfs/dbraw/zinc/49/06/92/976490692.db2.gz QHYGLMZXOZLERA-CYBMUJFWSA-N 1 0 353.413 1.759 20 10 FDCDRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000848598751 976935876 /nfs/dbraw/zinc/93/58/76/976935876.db2.gz QQCJEHMVXUZDFG-VIFPVBQESA-N 1 0 356.142 1.844 20 10 FDCDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834764 976960342 /nfs/dbraw/zinc/96/03/42/976960342.db2.gz MPBAZWPJNJVPKD-GFCCVEGCSA-N 1 0 366.487 1.807 20 10 FDCDRO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1O ZINC000868309512 977487372 /nfs/dbraw/zinc/48/73/72/977487372.db2.gz JSNCLQMXHNXMFV-GFCCVEGCSA-N 1 0 355.394 1.690 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c(OC)c1 ZINC000868365681 977540599 /nfs/dbraw/zinc/54/05/99/977540599.db2.gz HLGCUXFIGJZFTQ-OAHLLOKOSA-N 1 0 374.485 1.772 20 10 FDCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000868400701 977602771 /nfs/dbraw/zinc/60/27/71/977602771.db2.gz KEOKNGYMRJQWFZ-RDJZCZTQSA-N 1 0 358.486 1.583 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849565935 977762376 /nfs/dbraw/zinc/76/23/76/977762376.db2.gz XHRFMWFDJRJLPK-IAGOWNOFSA-N 1 0 372.469 1.962 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850435043 978370435 /nfs/dbraw/zinc/37/04/35/978370435.db2.gz GNICUJXHSVKYFV-MRXNPFEDSA-N 1 0 350.484 1.723 20 10 FDCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC4(CC3)NC(=O)NC4=O)C2)cc1 ZINC000850489151 978392257 /nfs/dbraw/zinc/39/22/57/978392257.db2.gz RHWMWCVVGTUMGZ-SHYRYGCCSA-N 1 0 358.442 1.384 20 10 FDCDRO Nc1ccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850835569 978690503 /nfs/dbraw/zinc/69/05/03/978690503.db2.gz XFYJBZPYHDAZCG-SFHVURJKSA-N 1 0 368.437 1.090 20 10 FDCDRO Nc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000850836454 978690889 /nfs/dbraw/zinc/69/08/89/978690889.db2.gz ALRYXRPQKRCSHU-UHFFFAOYSA-N 1 0 367.453 1.631 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)C2)cc1 ZINC000851639939 978981358 /nfs/dbraw/zinc/98/13/58/978981358.db2.gz NHWTXZYPPRRIME-GJZGRUSLSA-N 1 0 370.457 1.047 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C3([NH3+])Cc4ccccc4C3)C2)cc1 ZINC000851640479 978981949 /nfs/dbraw/zinc/98/19/49/978981949.db2.gz VXFFPZYKZYXRQM-QGZVFWFLSA-N 1 0 351.450 1.886 20 10 FDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000851655115 978985826 /nfs/dbraw/zinc/98/58/26/978985826.db2.gz MEYYZKOUXPBVMR-BFHYXJOUSA-N 1 0 352.454 1.846 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000851668380 978990885 /nfs/dbraw/zinc/99/08/85/978990885.db2.gz VFZDWHZLLPKCPY-RCCFBDPRSA-N 1 0 372.513 1.835 20 10 FDCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680467 978994973 /nfs/dbraw/zinc/99/49/73/978994973.db2.gz JSUVKEVAFHECEU-DOTOQJQBSA-N 1 0 360.502 1.917 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000851683011 978995984 /nfs/dbraw/zinc/99/59/84/978995984.db2.gz ZONHOWNIXSCJCE-SJORKVTESA-N 1 0 358.486 1.684 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000851686107 978997568 /nfs/dbraw/zinc/99/75/68/978997568.db2.gz VYHIPDNLUKKCSW-SFHVURJKSA-N 1 0 372.513 1.607 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)Cc3ncc[nH]3)CC2)cc1 ZINC000851874025 979141360 /nfs/dbraw/zinc/14/13/60/979141360.db2.gz YBQVBBMSBRGXLD-KRWDZBQOSA-N 1 0 359.474 1.033 20 10 FDCDRO CCC[C@H]([NH3+])c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881022643 979589688 /nfs/dbraw/zinc/58/96/88/979589688.db2.gz CNHIMPDFCTWQBJ-KRWDZBQOSA-N 1 0 372.473 1.435 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4nc[nH]c4n3)cc2)CC1 ZINC000881851799 980214019 /nfs/dbraw/zinc/21/40/19/980214019.db2.gz AVYKCTQRZAMMCK-UHFFFAOYSA-N 1 0 350.426 1.640 20 10 FDCDRO Cc1c(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C ZINC000881851999 980215145 /nfs/dbraw/zinc/21/51/45/980215145.db2.gz FTFBKHCIGRQKJP-UHFFFAOYSA-N 1 0 355.486 1.729 20 10 FDCDRO COc1cccnc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853997 980219153 /nfs/dbraw/zinc/21/91/53/980219153.db2.gz RCFUWMUZNDTQOO-UHFFFAOYSA-N 1 0 354.454 1.701 20 10 FDCDRO COCCN(CCOC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662532 980802027 /nfs/dbraw/zinc/80/20/27/980802027.db2.gz IUROAPFVQPTGEL-UHFFFAOYSA-N 1 0 364.490 1.243 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3cncc(-n4cncn4)n3)cc2)CC1 ZINC000882880341 981770612 /nfs/dbraw/zinc/77/06/12/981770612.db2.gz NBEOOVLGJOXCBF-UHFFFAOYSA-N 1 0 350.430 1.421 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000858216530 981920778 /nfs/dbraw/zinc/92/07/78/981920778.db2.gz PWDIMAMXDDHGGE-UHFFFAOYSA-N 1 0 368.481 1.884 20 10 FDCDRO COc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883090113 981934577 /nfs/dbraw/zinc/93/45/77/981934577.db2.gz CGQMQOQVUUDKIQ-UHFFFAOYSA-N 1 0 369.469 1.841 20 10 FDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1F ZINC000858244350 981938954 /nfs/dbraw/zinc/93/89/54/981938954.db2.gz VOXJDDHLWYKABD-ZDUSSCGKSA-N 1 0 373.411 1.837 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCCC3)cc2)CC1 ZINC000883118694 981962135 /nfs/dbraw/zinc/96/21/35/981962135.db2.gz CNPUYBLZEYKRKQ-UHFFFAOYSA-N 1 0 373.501 1.250 20 10 FDCDRO Cc1noc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883279525 982041507 /nfs/dbraw/zinc/04/15/07/982041507.db2.gz WTBXJHQUYUMNQB-UHFFFAOYSA-N 1 0 358.446 1.172 20 10 FDCDRO COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000883296644 982054950 /nfs/dbraw/zinc/05/49/50/982054950.db2.gz 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/nfs/dbraw/zinc/00/52/28/1013005228.db2.gz MCXYQYXKZGLRAI-BBRMVZONSA-N 1 0 367.490 1.620 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](c3ncc[nH]3)C1)cc2=O ZINC000080973883 523923562 /nfs/dbraw/zinc/92/35/62/523923562.db2.gz GFCSIAUJNKRRQF-LBPRGKRZSA-N 1 0 370.413 1.714 20 10 FDCDRO O=C(CCn1cncn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158034174 524389030 /nfs/dbraw/zinc/38/90/30/524389030.db2.gz ZNWGZVRHPNDLNH-HNNXBMFYSA-N 1 0 363.849 1.808 20 10 FDCDRO O=C(C[N@@H+]1CCCSCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000089984244 524564382 /nfs/dbraw/zinc/56/43/82/524564382.db2.gz TYWLZSKIELCWES-UHFFFAOYSA-N 1 0 367.490 1.717 20 10 FDCDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000090511861 524598561 /nfs/dbraw/zinc/59/85/61/524598561.db2.gz NPSWGWHFVWBTNR-UHFFFAOYSA-N 1 0 372.425 1.725 20 10 FDCDRO NC(=O)c1cncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091675993 524760322 /nfs/dbraw/zinc/76/03/22/524760322.db2.gz JKGVXZJEKIUQIP-UHFFFAOYSA-N 1 0 366.469 1.720 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC[C@@H](C)O)CC2)cc1 ZINC000114820308 524881826 /nfs/dbraw/zinc/88/18/26/524881826.db2.gz WMEAFQCYNKJELM-MRXNPFEDSA-N 1 0 364.490 1.277 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCn1ccnc1)cc2=O ZINC000124269275 524944948 /nfs/dbraw/zinc/94/49/48/524944948.db2.gz IKLLQRXCTXSFTB-UHFFFAOYSA-N 1 0 358.402 1.330 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000097216695 525179206 /nfs/dbraw/zinc/17/92/06/525179206.db2.gz RIXIUYHMYYMCKZ-QGZVFWFLSA-N 1 0 358.486 1.807 20 10 FDCDRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000178060712 525377521 /nfs/dbraw/zinc/37/75/21/525377521.db2.gz HESOSVHMLZQRRI-SFHVURJKSA-N 1 0 374.529 1.508 20 10 FDCDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000178884354 525498017 /nfs/dbraw/zinc/49/80/17/525498017.db2.gz DNUFZLJWGUIHAT-IBGZPJMESA-N 1 0 360.502 1.065 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCOC3)cc2F)CC1 ZINC000106584882 525766922 /nfs/dbraw/zinc/76/69/22/525766922.db2.gz KDAPJBQRWXIPJL-INIZCTEOSA-N 1 0 364.465 1.898 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cnn(C)c3)cc2F)CC1 ZINC000106702824 525774037 /nfs/dbraw/zinc/77/40/37/525774037.db2.gz CUFPQOYDZFAGOY-UHFFFAOYSA-N 1 0 359.449 1.560 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)O)CC2)cc1 ZINC000108544223 525981551 /nfs/dbraw/zinc/98/15/51/525981551.db2.gz FNACRWYSBUPISJ-UHFFFAOYSA-N 1 0 364.490 1.277 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1F ZINC000182524255 526198666 /nfs/dbraw/zinc/19/86/66/526198666.db2.gz NKMVJVKNTWHMGO-UHFFFAOYSA-N 1 0 365.497 1.671 20 10 FDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1 ZINC000186020205 536223589 /nfs/dbraw/zinc/22/35/89/536223589.db2.gz NLVGLTQEWBQWPO-LSDHHAIUSA-N 1 0 356.488 1.840 20 10 FDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268906701 537016260 /nfs/dbraw/zinc/01/62/60/537016260.db2.gz MAZLBVWPWNOTSW-NVXWUHKLSA-N 1 0 350.482 1.559 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000292985895 537275376 /nfs/dbraw/zinc/27/53/76/537275376.db2.gz LRVMRYWHXQXESH-UHFFFAOYSA-N 1 0 361.486 1.940 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)cc2=O ZINC000272574647 537301621 /nfs/dbraw/zinc/30/16/21/537301621.db2.gz RCHCNNLWGCQCLK-WFASDCNBSA-N 1 0 362.430 1.595 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000283340905 537371657 /nfs/dbraw/zinc/37/16/57/537371657.db2.gz DCKLJUMNKNYWNC-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[N@@H+]1C1CC1 ZINC000283915159 537391296 /nfs/dbraw/zinc/39/12/96/537391296.db2.gz GVKBQYIMXRDSOX-RDJZCZTQSA-N 1 0 370.497 1.644 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000283985484 537399626 /nfs/dbraw/zinc/39/96/26/537399626.db2.gz JJOKRTBLJJWZLD-DNVCBOLYSA-N 1 0 372.513 1.748 20 10 FDCDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000273429161 537450599 /nfs/dbraw/zinc/45/05/99/537450599.db2.gz VCIRIENVSCWLOJ-LBPRGKRZSA-N 1 0 370.291 1.969 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](CO)CC(C)C)cc2=O ZINC000274840069 537531944 /nfs/dbraw/zinc/53/19/44/537531944.db2.gz COBKKLNVXIMXAM-ZDUSSCGKSA-N 1 0 350.419 1.450 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000236839232 537601243 /nfs/dbraw/zinc/60/12/43/537601243.db2.gz LITHVTXKPBSDRL-WMZOPIPTSA-N 1 0 358.486 1.260 20 10 FDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290120955 537675003 /nfs/dbraw/zinc/67/50/03/537675003.db2.gz JIEWKQPLPIHSNA-CYBMUJFWSA-N 1 0 359.467 1.204 20 10 FDCDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000285396553 537700850 /nfs/dbraw/zinc/70/08/50/537700850.db2.gz VLMKXPCBLIPZOA-UHFFFAOYSA-N 1 0 374.529 1.948 20 10 FDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000372178930 537892322 /nfs/dbraw/zinc/89/23/22/537892322.db2.gz NARBQWQDFWUFPE-HNNXBMFYSA-N 1 0 361.486 1.705 20 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608513419 /nfs/dbraw/zinc/51/34/19/608513419.db2.gz LQLKNUVZGBPCHW-UHFFFAOYSA-N 1 0 351.414 1.598 20 10 FDCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000074675949 671413419 /nfs/dbraw/zinc/41/34/19/671413419.db2.gz QFRIXGFGNUMUMY-LBPRGKRZSA-N 1 0 356.517 1.152 20 10 FDCDRO O=C(C[NH2+]C1CC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237827569 672428994 /nfs/dbraw/zinc/42/89/94/672428994.db2.gz VBKYWIBESPPSOQ-UHFFFAOYSA-N 1 0 357.376 1.910 20 10 FDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC[NH+]1CCSCC1 ZINC000264748233 672923756 /nfs/dbraw/zinc/92/37/56/672923756.db2.gz AEPQNKSMNDWZIV-ZZXKWVIFSA-N 1 0 361.511 1.701 20 10 FDCDRO COc1c([O-])c(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289247161 676110163 /nfs/dbraw/zinc/11/01/63/676110163.db2.gz ASDVMPXJOLBTCN-UHFFFAOYSA-N 1 0 354.451 1.624 20 10 FDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000294964902 676398771 /nfs/dbraw/zinc/39/87/71/676398771.db2.gz FGKGQKPJZLOZAB-NSHDSACASA-N 1 0 351.266 1.572 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000377578750 678566251 /nfs/dbraw/zinc/56/62/51/678566251.db2.gz BGKYLWUMGSXQKN-CABCVRRESA-N 1 0 350.438 1.554 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@@]1(N3CCOCC3)CCCOC1)OCO2 ZINC000378149123 678704818 /nfs/dbraw/zinc/70/48/18/678704818.db2.gz IRYSVAUIPYOCQI-SFHVURJKSA-N 1 0 350.415 1.092 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000275174507 771374214 /nfs/dbraw/zinc/37/42/14/771374214.db2.gz LRHVTWPKZWNXOK-CYBMUJFWSA-N 1 0 361.421 1.352 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnc3c2CC(=O)N3)[NH+](C)C)cc1 ZINC000891246173 774084245 /nfs/dbraw/zinc/08/42/45/774084245.db2.gz MVPMPSSGQXILCH-KRWDZBQOSA-N 1 0 367.453 1.675 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nc3ncccn3n2)[NH+](C)C)cc1 ZINC000891246528 774089608 /nfs/dbraw/zinc/08/96/08/774089608.db2.gz ORKPJWIWBWBOAM-OAHLLOKOSA-N 1 0 353.430 1.223 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3ncccn3n2)[NH+](C)C)cc1 ZINC000891247262 774093197 /nfs/dbraw/zinc/09/31/97/774093197.db2.gz HVFGDUMWEHBXDO-KRWDZBQOSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn3ncccc23)[NH+](C)C)cc1 ZINC000891248697 774110800 /nfs/dbraw/zinc/11/08/00/774110800.db2.gz NBIINHMHUKGEQV-GOSISDBHSA-N 1 0 352.442 1.828 20 10 FDCDRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891251097 774128849 /nfs/dbraw/zinc/12/88/49/774128849.db2.gz DRZUYRSMTZHHKV-WMZOPIPTSA-N 1 0 360.502 1.730 20 10 FDCDRO Cc1nnc2n1C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC2 ZINC000891253153 774140143 /nfs/dbraw/zinc/14/01/43/774140143.db2.gz RDJZQMMNGSOMEP-FUHWJXTLSA-N 1 0 370.501 1.634 20 10 FDCDRO Cc1nc(SCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n[nH]1 ZINC000891254616 774147764 /nfs/dbraw/zinc/14/77/64/774147764.db2.gz ZNFAKTSCYHKMQK-OAHLLOKOSA-N 1 0 362.503 1.690 20 10 FDCDRO COC(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254157 774150149 /nfs/dbraw/zinc/15/01/49/774150149.db2.gz WNWQGCKAXSIUIY-HNNXBMFYSA-N 1 0 350.463 1.606 20 10 FDCDRO Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[nH]c1C ZINC000891254207 774150473 /nfs/dbraw/zinc/15/04/73/774150473.db2.gz XNHZMNDLRULGIB-INIZCTEOSA-N 1 0 357.458 1.898 20 10 FDCDRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254978 774152111 /nfs/dbraw/zinc/15/21/11/774152111.db2.gz LNMKAQQXAHQNKQ-IRXDYDNUSA-N 1 0 364.515 1.393 20 10 FDCDRO CCOC(=O)Cc1cncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423394 774570712 /nfs/dbraw/zinc/57/07/12/774570712.db2.gz XWYCJDFKEGNPDF-UHFFFAOYSA-N 1 0 369.469 1.946 20 10 FDCDRO COC1CCN(c2ccc(C[NH+]3CCN(C)CCN(C)CC3)cc2)CC1 ZINC000933990686 780514630 /nfs/dbraw/zinc/51/46/30/780514630.db2.gz OSQGCYDGWQELOO-UHFFFAOYSA-N 1 0 360.546 1.981 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)c(OC)c1 ZINC000892077563 781463709 /nfs/dbraw/zinc/46/37/09/781463709.db2.gz JJLHIYBJTHEHII-ZBFHGGJFSA-N 1 0 362.474 1.533 20 10 FDCDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@@H]2C1 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FDCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000114183801 971100148 /nfs/dbraw/zinc/10/01/48/971100148.db2.gz FBMDKDGFNHDPEA-UHFFFAOYSA-N 1 0 369.469 1.813 20 10 FDCDRO COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)[C@@H](C)[NH3+])n3)CC2)cc1 ZINC000823048013 945405007 /nfs/dbraw/zinc/40/50/07/945405007.db2.gz LNBVYUOAIBFTIF-ZIAGYGMSSA-N 1 0 373.457 1.420 20 10 FDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000823509630 945820085 /nfs/dbraw/zinc/82/00/85/945820085.db2.gz HHFVPZFIXSDCMH-CYBMUJFWSA-N 1 0 353.413 1.759 20 10 FDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)O1 ZINC000823850396 946046871 /nfs/dbraw/zinc/04/68/71/946046871.db2.gz BJBSXHZQUFZYCM-QLPKVWCKSA-N 1 0 352.500 1.967 20 10 FDCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000824738597 946699260 /nfs/dbraw/zinc/69/92/60/946699260.db2.gz OLVCQQPSNGOWMM-UHFFFAOYSA-N 1 0 350.440 1.941 20 10 FDCDRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825247906 947089780 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FDCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C4(O)CC4)CC3)CC2)cc1 ZINC000844362960 948014008 /nfs/dbraw/zinc/01/40/08/948014008.db2.gz GWMBOAHUCKDGAI-UHFFFAOYSA-N 1 0 373.497 1.581 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NCCN2CCOC[C@@H]2C)cc1 ZINC000844957199 948537490 /nfs/dbraw/zinc/53/74/90/948537490.db2.gz ICSKWRMRPGTXAC-INIZCTEOSA-N 1 0 364.490 1.494 20 10 FDCDRO CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2nnn(CC3CC3)c21 ZINC001144504164 949715441 /nfs/dbraw/zinc/71/54/41/949715441.db2.gz NEMVNWFWPGZXLY-ZDUSSCGKSA-N 1 0 374.441 1.941 20 10 FDCDRO O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509718 949786895 /nfs/dbraw/zinc/78/68/95/949786895.db2.gz JGFXWLVHCXGXIW-OXJNMPFZSA-N 1 0 354.406 1.909 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000846032208 950383433 /nfs/dbraw/zinc/38/34/33/950383433.db2.gz BLDNVJUXHUHTGE-LBPRGKRZSA-N 1 0 365.421 1.895 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC[C@@H]3CC3(F)F)CC2)cc1 ZINC000857239372 971667394 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20 10 FDCDRO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC(C)([NH+](C)C)C3)cc12 ZINC001184360388 963541767 /nfs/dbraw/zinc/54/17/67/963541767.db2.gz YPMTWDJRQDPOJF-UHFFFAOYSA-N 1 0 373.453 1.401 20 10 FDCDRO [NH3+]CC1(N(Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(O)c2)COC1 ZINC001179689324 964944717 /nfs/dbraw/zinc/94/47/17/964944717.db2.gz KYIAUNVIXOWWHL-VQHVLOKHSA-N 1 0 354.406 1.868 20 10 FDCDRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000773844730 965177484 /nfs/dbraw/zinc/17/74/84/965177484.db2.gz FZNLSCWGESEFRA-CQSZACIVSA-N 1 0 372.473 1.327 20 10 FDCDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253656 966988119 /nfs/dbraw/zinc/98/81/19/966988119.db2.gz AQCGHAGHFZUWKN-BBWFWOEESA-N 1 0 361.486 1.810 20 10 FDCDRO [NH3+]C[C@H]1CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)=NO1 ZINC000852862409 967667419 /nfs/dbraw/zinc/66/74/19/967667419.db2.gz DABKQCCATGMDOD-CQSZACIVSA-N 1 0 368.384 1.477 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000852882930 967687088 /nfs/dbraw/zinc/68/70/88/967687088.db2.gz SPSSGUUSCJXHOD-UHFFFAOYSA-N 1 0 356.474 1.931 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000775370526 967699595 /nfs/dbraw/zinc/69/95/95/967699595.db2.gz VWLJCARCUHEYEI-CYBMUJFWSA-N 1 0 361.442 1.132 20 10 FDCDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775373883 967730606 /nfs/dbraw/zinc/73/06/06/967730606.db2.gz DNWZCZMQOWRCBC-UHFFFAOYSA-N 1 0 358.479 1.967 20 10 FDCDRO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000853464359 968029071 /nfs/dbraw/zinc/02/90/71/968029071.db2.gz SDTTWXUUBJKHBJ-KRWDZBQOSA-N 1 0 373.501 1.091 20 10 FDCDRO Cn1ccnc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001193631660 969777714 /nfs/dbraw/zinc/77/77/14/969777714.db2.gz ROWPBJSCSXDDDC-UHFFFAOYSA-N 1 0 350.444 1.069 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2COCCOC2)C1 ZINC000644709296 1013911615 /nfs/dbraw/zinc/91/16/15/1013911615.db2.gz LJKAVIXASWGKBB-UHFFFAOYSA-N 1 0 371.481 1.939 20 10 FDCDRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000865019251 974018749 /nfs/dbraw/zinc/01/87/49/974018749.db2.gz QAESEUZXBYKAKB-INIZCTEOSA-N 1 0 371.485 1.772 20 10 FDCDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865684686 974420545 /nfs/dbraw/zinc/42/05/45/974420545.db2.gz ZZXSDLZLUAMHQV-UHFFFAOYSA-N 1 0 350.459 1.971 20 10 FDCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)CS(N)(=O)=O ZINC000865813500 974513838 /nfs/dbraw/zinc/51/38/38/974513838.db2.gz VIZLJWNGLLRHMW-UHFFFAOYSA-N 1 0 351.266 1.559 20 10 FDCDRO CCOC(=O)[C@H](C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199862341 974544651 /nfs/dbraw/zinc/54/46/51/974544651.db2.gz OKSDZUMISOVDNM-AWEZNQCLSA-N 1 0 364.515 1.354 20 10 FDCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000866541888 975769189 /nfs/dbraw/zinc/76/91/89/975769189.db2.gz DGVDBTBQXVSXJC-UHFFFAOYSA-N 1 0 359.467 1.033 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC4CCC3(C[NH3+])CC4)CC2)cc1 ZINC000848600528 976940338 /nfs/dbraw/zinc/94/03/38/976940338.db2.gz FPIQLKUVGPVFCX-UHFFFAOYSA-N 1 0 372.513 1.547 20 10 FDCDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834348 976960750 /nfs/dbraw/zinc/96/07/50/976960750.db2.gz MPBAZWPJNJVPKD-LBPRGKRZSA-N 1 0 366.487 1.807 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H](O)CC3CCCC3)cc2)CC1 ZINC000849326999 977428750 /nfs/dbraw/zinc/42/87/50/977428750.db2.gz MPTHQPGCLYTZII-LJQANCHMSA-N 1 0 366.527 1.952 20 10 FDCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1O ZINC000849563236 977754920 /nfs/dbraw/zinc/75/49/20/977754920.db2.gz JEHYWNJIAPVJNB-HZPDHXFCSA-N 1 0 358.442 1.486 20 10 FDCDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000850091185 978149318 /nfs/dbraw/zinc/14/93/18/978149318.db2.gz ZWJATKHZMPSCAL-AYOQOUSVSA-N 1 0 361.486 1.604 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]CC(C)(C)C)CC2)cc1 ZINC000850365348 978339587 /nfs/dbraw/zinc/33/95/87/978339587.db2.gz GSRMTVWTXXWJCU-UHFFFAOYSA-N 1 0 369.531 1.783 20 10 FDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000851630144 978978647 /nfs/dbraw/zinc/97/86/47/978978647.db2.gz GZHOADSPAOXTEW-CPUCHLNUSA-N 1 0 367.465 1.808 20 10 FDCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000851655484 978986291 /nfs/dbraw/zinc/98/62/91/978986291.db2.gz RBCRTIRYUZVYLX-UHFFFAOYSA-N 1 0 350.438 1.733 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)cc1 ZINC000851687477 978998881 /nfs/dbraw/zinc/99/88/81/978998881.db2.gz BZBOYYRKUYYQKD-HNNXBMFYSA-N 1 0 374.485 1.168 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899730 979174073 /nfs/dbraw/zinc/17/40/73/979174073.db2.gz DQNFSAKVSXPIOL-IUODEOHRSA-N 1 0 364.442 1.994 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)n1-c1ccc(F)cc1 ZINC000880982453 979560328 /nfs/dbraw/zinc/56/03/28/979560328.db2.gz MFPYXRXZZYREDU-HNNXBMFYSA-N 1 0 371.416 1.570 20 10 FDCDRO CC(C)CS(=O)(=O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850085 980210664 /nfs/dbraw/zinc/21/06/64/980210664.db2.gz NEHZGVXAJMGZCO-UHFFFAOYSA-N 1 0 367.515 1.125 20 10 FDCDRO CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850546 980212049 /nfs/dbraw/zinc/21/20/49/980212049.db2.gz YANCHSYRQJKHMZ-IBGZPJMESA-N 1 0 372.513 1.846 20 10 FDCDRO CCOC(=O)NCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851784 980214297 /nfs/dbraw/zinc/21/42/97/980214297.db2.gz AIZOGYNSLFAONC-UHFFFAOYSA-N 1 0 362.474 1.581 20 10 FDCDRO COC(=O)c1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000881852174 980215106 /nfs/dbraw/zinc/21/51/06/980215106.db2.gz HWXCSGLKQMHBJM-UHFFFAOYSA-N 1 0 358.398 1.143 20 10 FDCDRO COCCn1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853885 980218284 /nfs/dbraw/zinc/21/82/84/980218284.db2.gz NOQVOAALHPSGLI-UHFFFAOYSA-N 1 0 357.458 1.211 20 10 FDCDRO CC(C)C[C@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCNC1=O ZINC000881854785 980220611 /nfs/dbraw/zinc/22/06/11/980220611.db2.gz KQJBCAHWORSLFX-OAQYLSRUSA-N 1 0 372.513 1.607 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000882662547 980802069 /nfs/dbraw/zinc/80/20/69/980802069.db2.gz JBGLIBYMKGNJTI-UHFFFAOYSA-N 1 0 368.484 1.079 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCOC(C)(C)C)cc2)CC1 ZINC000882663037 980803330 /nfs/dbraw/zinc/80/33/30/980803330.db2.gz QBRNBRDRXAMXLI-UHFFFAOYSA-N 1 0 369.531 1.673 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@H]3CCC3(F)F)cc2)CC1 ZINC000882663506 980804056 /nfs/dbraw/zinc/80/40/56/980804056.db2.gz PEOSAACITPEVBE-OAHLLOKOSA-N 1 0 373.469 1.903 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ncnc(-n4cccn4)c3N)cc2)CC1 ZINC000882880311 981770216 /nfs/dbraw/zinc/77/02/16/981770216.db2.gz MBNKVQJYJBORLS-UHFFFAOYSA-N 1 0 364.457 1.608 20 10 FDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1F ZINC000858224180 981926149 /nfs/dbraw/zinc/92/61/49/981926149.db2.gz XWXXTDUNLTZGMX-LJQANCHMSA-N 1 0 369.456 1.736 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCn3cccn3)cc2)CC1 ZINC000883101978 981946767 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1.338 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000842229822 845768355 /nfs/dbraw/zinc/76/83/55/845768355.db2.gz QWPNWCZTOSBLCQ-FUHWJXTLSA-N 1 0 374.529 1.996 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000842229816 845768489 /nfs/dbraw/zinc/76/84/89/845768489.db2.gz QTOJCACOCWTLLP-RDJZCZTQSA-N 1 0 360.502 1.605 20 10 FDCDRO C[C@@H]1CC(=O)NCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102985 845775305 /nfs/dbraw/zinc/77/53/05/845775305.db2.gz UBVSTLDFRVCLEO-RHSMWYFYSA-N 1 0 361.490 1.275 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(O)CCSC2)[NH+](C)C)cc1 ZINC000899100817 845797562 /nfs/dbraw/zinc/79/75/62/845797562.db2.gz DZOQFAKGCAYESX-SJLPKXTDSA-N 1 0 366.531 1.523 20 10 FDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842271729 846160635 /nfs/dbraw/zinc/16/06/35/846160635.db2.gz JLIMKFKUUAKCHE-ZBFHGGJFSA-N 1 0 363.458 1.014 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000904974397 851533628 /nfs/dbraw/zinc/53/36/28/851533628.db2.gz SXWZDFQKKUCLCK-OXQOHEQNSA-N 1 0 358.486 1.441 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@]1(O)CCOC1 ZINC000905052935 851614011 /nfs/dbraw/zinc/61/40/11/851614011.db2.gz XSKGJGAPBPCLQZ-QZTJIDSGSA-N 1 0 352.500 1.232 20 10 FDCDRO COCC1(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000908460501 855445454 /nfs/dbraw/zinc/44/54/54/855445454.db2.gz VPLCQQNLNPKHAW-MRXNPFEDSA-N 1 0 355.504 1.454 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000908460723 855446824 /nfs/dbraw/zinc/44/68/24/855446824.db2.gz YHZMVXFHLVDIBL-YJBOKZPZSA-N 1 0 369.531 1.701 20 10 FDCDRO CCn1cncc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457562 855469364 /nfs/dbraw/zinc/46/93/64/855469364.db2.gz FWRBMJHAUOHONL-MRXNPFEDSA-N 1 0 365.503 1.550 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)N2CCCCC2)[NH+](C)C)cc1 ZINC000908458463 855471349 /nfs/dbraw/zinc/47/13/49/855471349.db2.gz VVKZPHVEQSNQAM-QGZVFWFLSA-N 1 0 354.520 1.676 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC[C@H]1C[NH3+] ZINC000911053665 858048177 /nfs/dbraw/zinc/04/81/77/858048177.db2.gz BJLUXNRZKHTAFL-RYUDHWBXSA-N 1 0 356.517 1.185 20 10 FDCDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)NCCCSc1nccs1 ZINC000911055362 858053110 /nfs/dbraw/zinc/05/31/10/858053110.db2.gz NRADUDAQSPMZME-WBMJQRKESA-N 1 0 368.528 1.471 20 10 FDCDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)NCCCSc1nccs1 ZINC000911055361 858053183 /nfs/dbraw/zinc/05/31/83/858053183.db2.gz NRADUDAQSPMZME-MLGOLLRUSA-N 1 0 368.528 1.471 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000911250236 858363745 /nfs/dbraw/zinc/36/37/45/858363745.db2.gz OLKHBRMBEFQEPA-AEFFLSMTSA-N 1 0 372.513 1.511 20 10 FDCDRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000911557656 858762169 /nfs/dbraw/zinc/76/21/69/858762169.db2.gz QNZNNROFIOYHNC-KOMQPUFPSA-N 1 0 359.470 1.907 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911538170 858774149 /nfs/dbraw/zinc/77/41/49/858774149.db2.gz NFBLYWVCOZRUCF-QXAKKESOSA-N 1 0 370.497 1.644 20 10 FDCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000912709263 860053739 /nfs/dbraw/zinc/05/37/39/860053739.db2.gz DZJXBXCDKMEDGG-HXUWFJFHSA-N 1 0 361.486 1.111 20 10 FDCDRO COC(=O)CC(C)(C)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761199938 864323934 /nfs/dbraw/zinc/32/39/34/864323934.db2.gz UOJVJEHYHTVAJO-UHFFFAOYSA-N 1 0 363.458 1.275 20 10 FDCDRO Oc1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000916633027 881856587 /nfs/dbraw/zinc/85/65/87/881856587.db2.gz FLTOWHKDHJEOCZ-IPMKNSEASA-N 1 0 365.470 1.930 20 10 FDCDRO C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000923595540 868667633 /nfs/dbraw/zinc/66/76/33/868667633.db2.gz UZJHLKMYPNQEIT-RHSMWYFYSA-N 1 0 353.488 1.256 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000673315308 873434505 /nfs/dbraw/zinc/43/45/05/873434505.db2.gz TVYWGMIRJQNJIN-RHSMWYFYSA-N 1 0 370.497 1.902 20 10 FDCDRO Cc1ccc(O)c(C[NH2+]CC(=O)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000922765300 879216782 /nfs/dbraw/zinc/21/67/82/879216782.db2.gz YIQMDBQBPOEGJV-UHFFFAOYSA-N 1 0 355.438 1.565 20 10 FDCDRO COc1cccc([C@H](O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000918856806 884962355 /nfs/dbraw/zinc/96/23/55/884962355.db2.gz BXUWSAIYASRTOQ-FQEVSTJZSA-N 1 0 369.465 1.797 20 10 FDCDRO COc1cc(CO)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918911623 885021209 /nfs/dbraw/zinc/02/12/09/885021209.db2.gz AOZAQOYUMOSZIY-UHFFFAOYSA-N 1 0 369.465 1.869 20 10 FDCDRO CS(=O)(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706855835 886659792 /nfs/dbraw/zinc/65/97/92/886659792.db2.gz XBAJRMMGMIAGLH-UHFFFAOYSA-N 1 0 363.277 1.668 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000888295356 888192730 /nfs/dbraw/zinc/19/27/30/888192730.db2.gz IPPRKNATWKNRGI-OAHLLOKOSA-N 1 0 361.490 1.322 20 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/nfs/dbraw/zinc/18/10/01/922181001.db2.gz BIOJBUMXPMFFSJ-UHFFFAOYSA-N 1 0 364.490 1.231 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCCO3)CC2)cc1 ZINC000282700571 922192370 /nfs/dbraw/zinc/19/23/70/922192370.db2.gz FXISIDAVJPNVQE-UHFFFAOYSA-N 1 0 362.474 1.944 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ncnn2)cc1C ZINC001085200065 922683704 /nfs/dbraw/zinc/68/37/04/922683704.db2.gz PWOWDTGGKDDPJY-HZPDHXFCSA-N 1 0 358.446 1.207 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)C[NH+](C)C)NC(=O)OC(C)(C)C)cc1 ZINC000743725044 926445087 /nfs/dbraw/zinc/44/50/87/926445087.db2.gz BCEZCSZBYKRTED-MRXNPFEDSA-N 1 0 364.490 1.996 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](OC)C(C)C)CC2)cc1 ZINC000769792109 929680529 /nfs/dbraw/zinc/68/05/29/929680529.db2.gz GFTXIKKBGPZOFQ-LJQANCHMSA-N 1 0 363.502 1.995 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@](C)(O)C(C)C)CC2)cc1 ZINC000771104488 930459337 /nfs/dbraw/zinc/45/93/37/930459337.db2.gz NGCMSJMOALSGRV-FQEVSTJZSA-N 1 0 363.502 1.731 20 10 FDCDRO 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FDCDRO COc1ccc(N2CCN(C(=O)CN[C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000844227117 947862394 /nfs/dbraw/zinc/86/23/94/947862394.db2.gz SZQOHOZYMFZEMX-HXUWFJFHSA-N 1 0 374.529 1.841 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000844227114 947862652 /nfs/dbraw/zinc/86/26/52/947862652.db2.gz SZMPSGPBCMISIJ-FQEVSTJZSA-N 1 0 358.486 1.172 20 10 FDCDRO COC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000844478513 948096445 /nfs/dbraw/zinc/09/64/45/948096445.db2.gz PCWHDCMGXHMKCZ-ZWKOTPCHSA-N 1 0 359.470 1.500 20 10 FDCDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700499 971550740 /nfs/dbraw/zinc/55/07/40/971550740.db2.gz PFZXGIIPOJOHPM-HZPDHXFCSA-N 1 0 353.532 1.692 20 10 FDCDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCSc1nccs1)C2 ZINC000857101698 971580414 /nfs/dbraw/zinc/58/04/14/971580414.db2.gz NBPMDXRZFATXMZ-ABAIWWIYSA-N 1 0 354.501 1.081 20 10 FDCDRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(O)cc(O)cc2O)cn1 ZINC001144510257 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FDCDRO Cc1nccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853432 980217498 /nfs/dbraw/zinc/21/74/98/980217498.db2.gz WAURHVBPOFQNGE-UHFFFAOYSA-N 1 0 353.470 1.786 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3nnn(C(C)(C)C)n3)cc2)CC1 ZINC000881855243 980220345 /nfs/dbraw/zinc/22/03/45/980220345.db2.gz RLOUUYUFFKBSLH-UHFFFAOYSA-N 1 0 371.489 1.039 20 10 FDCDRO CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854943 980220458 /nfs/dbraw/zinc/22/04/58/980220458.db2.gz MEMYSHFLGXOTKZ-SFHVURJKSA-N 1 0 358.486 1.454 20 10 FDCDRO COc1cc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000881854942 980220633 /nfs/dbraw/zinc/22/06/33/980220633.db2.gz MDILYIOFTJFSEN-UHFFFAOYSA-N 1 0 358.442 1.684 20 10 FDCDRO Cn1ncc2c1nc(NCc1ccc(N3CC[NH+](C)CC3)cc1)nc2N ZINC000882880244 981770507 /nfs/dbraw/zinc/77/05/07/981770507.db2.gz JDQUCZQCQOYFNI-UHFFFAOYSA-N 1 0 352.446 1.309 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1C[C@H]2C[C@@]2(O)C1 ZINC000883577960 982279018 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C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000884655239 984661986 /nfs/dbraw/zinc/66/19/86/984661986.db2.gz SDBPHJQBFXUXMX-SJLPKXTDSA-N 1 0 372.513 1.592 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(F)(F)F)ncn2)cc1 ZINC000870932437 986519704 /nfs/dbraw/zinc/51/97/04/986519704.db2.gz FIBVKWVQEWBBLP-LBPRGKRZSA-N 1 0 353.348 1.991 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872152415 987467830 /nfs/dbraw/zinc/46/78/30/987467830.db2.gz QXJUVLZORNRRJN-HOCLYGCPSA-N 1 0 372.435 1.780 20 10 FDCDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000872213672 987519053 /nfs/dbraw/zinc/51/90/53/987519053.db2.gz WSBXQSZIEXDAIL-LEWJYISDSA-N 1 0 362.514 1.897 20 10 FDCDRO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000872241654 987537493 /nfs/dbraw/zinc/53/74/93/987537493.db2.gz REJDNEOUEJKADC-LMMKCTJWSA-N 1 0 365.518 1.317 20 10 FDCDRO COc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cn1cccn1 ZINC000873044865 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359.474 1.422 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[NH+](C)C)cc1 ZINC000891249686 774110028 /nfs/dbraw/zinc/11/00/28/774110028.db2.gz RXLSOPBBFBRRBW-INIZCTEOSA-N 1 0 368.441 1.762 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C2(N3CCOCC3)CCC2)[NH+](C)C)cc1 ZINC000891248828 774112062 /nfs/dbraw/zinc/11/20/62/774112062.db2.gz OGQLSAKZZXJFKF-IBGZPJMESA-N 1 0 374.529 1.726 20 10 FDCDRO Cc1nc(SCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n[nH]1 ZINC000891254613 774147383 /nfs/dbraw/zinc/14/73/83/774147383.db2.gz ZNFAKTSCYHKMQK-HNNXBMFYSA-N 1 0 362.503 1.690 20 10 FDCDRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254976 774152026 /nfs/dbraw/zinc/15/20/26/774152026.db2.gz LNMKAQQXAHQNKQ-DLBZAZTESA-N 1 0 364.515 1.393 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2ccccc2=O)[NH+](C)C)cc1 ZINC000891256308 774163147 /nfs/dbraw/zinc/16/31/47/774163147.db2.gz XHHXYIRHCLFVIL-GOSISDBHSA-N 1 0 356.470 1.724 20 10 FDCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000891384721 776453200 /nfs/dbraw/zinc/45/32/00/776453200.db2.gz JMBMLAUTJYURIG-OCCSQVGLSA-N 1 0 350.438 1.418 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000891384737 776454752 /nfs/dbraw/zinc/45/47/52/776454752.db2.gz JSUURWONEWAOFW-OAHLLOKOSA-N 1 0 350.438 1.556 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)CN(C(C)C)C3=O)CC2)cc1 ZINC000277192486 781069254 /nfs/dbraw/zinc/06/92/54/781069254.db2.gz CTFVHCRGUKPCOP-UHFFFAOYSA-N 1 0 374.485 1.880 20 10 FDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000892092662 781504779 /nfs/dbraw/zinc/50/47/79/781504779.db2.gz RUXIUMPLIFTEFP-KBXCAEBGSA-N 1 0 373.501 1.186 20 10 FDCDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000892099446 781533696 /nfs/dbraw/zinc/53/36/96/781533696.db2.gz NIKDWLHOGUHEKQ-CQSZACIVSA-N 1 0 350.463 1.533 20 10 FDCDRO COc1ccc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(O)c1OC ZINC000892877900 791537205 /nfs/dbraw/zinc/53/72/05/791537205.db2.gz HTCOAJQWWGNXBN-UHFFFAOYSA-N 1 0 351.447 1.052 20 10 FDCDRO COc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1O ZINC000363972246 794804672 /nfs/dbraw/zinc/80/46/72/794804672.db2.gz IBBVKSJVTGHSTK-MRXNPFEDSA-N 1 0 356.426 1.780 20 10 FDCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000186140268 794880129 /nfs/dbraw/zinc/88/01/29/794880129.db2.gz OJNUZABWMVBIOB-KRWDZBQOSA-N 1 0 373.545 1.894 20 10 FDCDRO C[NH2+]CCN(C)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001204727862 810975500 /nfs/dbraw/zinc/97/55/00/810975500.db2.gz SLSMSHPBAFSQLM-UHFFFAOYSA-N 1 0 355.324 1.852 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NOC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000894372514 817832739 /nfs/dbraw/zinc/83/27/39/817832739.db2.gz KIUWCJVVMXCBGG-RHSMWYFYSA-N 1 0 350.463 1.623 20 10 FDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000894747694 818389864 /nfs/dbraw/zinc/38/98/64/818389864.db2.gz MAZCOFROAURLEJ-HIFRSBDPSA-N 1 0 356.488 1.907 20 10 FDCDRO CN(Cc1cccs1)c1ccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000895314687 822470517 /nfs/dbraw/zinc/47/05/17/822470517.db2.gz OTBVEFSSNTWOBN-IRXDYDNUSA-N 1 0 372.494 1.403 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000895555437 822649973 /nfs/dbraw/zinc/64/99/73/822649973.db2.gz MRUONRROBNVLKV-IEBWSBKVSA-N 1 0 364.490 1.196 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000895809105 822747802 /nfs/dbraw/zinc/74/78/02/822747802.db2.gz GKIJWZKRRDJCOC-SJLPKXTDSA-N 1 0 372.513 1.877 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000895809107 822747884 /nfs/dbraw/zinc/74/78/84/822747884.db2.gz GKIJWZKRRDJCOC-WMZOPIPTSA-N 1 0 372.513 1.877 20 10 FDCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813129 822756479 /nfs/dbraw/zinc/75/64/79/822756479.db2.gz DFLCVOROMPNNOF-CRAIPNDOSA-N 1 0 372.513 1.925 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280900165 825811661 /nfs/dbraw/zinc/81/16/61/825811661.db2.gz QYZQDNWMTOMKSR-WIYYLYMNSA-N 1 0 357.498 1.901 20 10 FDCDRO O=S1(=O)NC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CCN21 ZINC000897283935 827706088 /nfs/dbraw/zinc/70/60/88/827706088.db2.gz ODQOWPFMDVFXCI-KRWDZBQOSA-N 1 0 359.451 1.393 20 10 FDCDRO CN1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2Br)CC1 ZINC001204685216 828058304 /nfs/dbraw/zinc/05/83/04/828058304.db2.gz XOXMMAKDGOWETP-UHFFFAOYSA-N 1 0 367.335 1.996 20 10 FDCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CCCC1 ZINC000897832716 840475341 /nfs/dbraw/zinc/47/53/41/840475341.db2.gz WZRWYMXQSDPGCS-UHFFFAOYSA-N 1 0 353.488 1.038 20 10 FDCDRO COC(=O)c1cc(C2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)[nH]n1 ZINC000898001350 840648141 /nfs/dbraw/zinc/64/81/41/840648141.db2.gz CNJAWPVNVAWOPQ-UHFFFAOYSA-N 1 0 370.453 1.757 20 10 FDCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2Cl)C1 ZINC000842029742 840801987 /nfs/dbraw/zinc/80/19/87/840801987.db2.gz JFUKNXMODOXSJR-CYBMUJFWSA-N 1 0 366.893 1.658 20 10 FDCDRO CC[C@H](C)CN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898324131 840943951 /nfs/dbraw/zinc/94/39/51/840943951.db2.gz IHMRXQBLXIQQFZ-KRWDZBQOSA-N 1 0 374.529 1.949 20 10 FDCDRO O=c1ccn(CCC[NH2+]Cc2cc(Br)ccc2O)c(=O)[nH]1 ZINC000898332880 840972909 /nfs/dbraw/zinc/97/29/09/840972909.db2.gz NSCDCNKYXQQUDJ-UHFFFAOYSA-N 1 0 354.204 1.597 20 10 FDCDRO CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000927027796 843345938 /nfs/dbraw/zinc/34/59/38/843345938.db2.gz VOQGESNTLIMYRU-ZYHUDNBSSA-N 1 0 355.378 1.857 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c3c(nn2C)CCOC3)N(C)C)cc1 ZINC000898448475 844696425 /nfs/dbraw/zinc/69/64/25/844696425.db2.gz UFKCVFXLFQCJCS-IBGZPJMESA-N 1 0 357.502 1.951 20 10 FDCDRO CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]Cc3ccccc3O)CC2=O)C1 ZINC000898533038 844831635 /nfs/dbraw/zinc/83/16/35/844831635.db2.gz UZIJHXSDJFNMDW-CQSZACIVSA-N 1 0 361.442 1.702 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C[NH3+] ZINC000842170618 845211879 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CDKQTCIBXGOOOV-GOEBONIOSA-N 1 0 351.466 1.991 20 10 FDCDRO COCCN(CCF)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098420 845791289 /nfs/dbraw/zinc/79/12/89/845791289.db2.gz NSNQQINRHQKFBR-KRWDZBQOSA-N 1 0 354.470 1.983 20 10 FDCDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842233460 845795014 /nfs/dbraw/zinc/79/50/14/845795014.db2.gz VVMALRSEEFXJAP-OAHLLOKOSA-N 1 0 357.410 1.382 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)c2ccco2)[NH+](C)C)cc1 ZINC000899100826 845798604 /nfs/dbraw/zinc/79/86/04/845798604.db2.gz FAMNCOFFGRPTTR-SJORKVTESA-N 1 0 360.458 1.981 20 10 FDCDRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842239759 845868968 /nfs/dbraw/zinc/86/89/68/845868968.db2.gz KANIWGZPUUIACW-INIZCTEOSA-N 1 0 371.437 1.772 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@]1(O)CCOC1 ZINC000905053137 851613728 /nfs/dbraw/zinc/61/37/28/851613728.db2.gz XSKGJGAPBPCLQZ-ZWKOTPCHSA-N 1 0 352.500 1.232 20 10 FDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C3(O)CCOCC3)C2)cc1 ZINC000905288798 851820818 /nfs/dbraw/zinc/82/08/18/851820818.db2.gz DVQUOKVVZBAPBV-MAUKXSAKSA-N 1 0 350.459 1.014 20 10 FDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000905483464 851955592 /nfs/dbraw/zinc/95/55/92/851955592.db2.gz YVSNBOBZQYXNDU-HNNXBMFYSA-N 1 0 359.392 1.791 20 10 FDCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccn(C)n2)[NH+](C)C)cc1 ZINC000908459782 855444678 /nfs/dbraw/zinc/44/46/78/855444678.db2.gz KSWNIJSTCUMREK-OAHLLOKOSA-N 1 0 351.476 1.067 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CCn2ccnc2)[NH+](C)C)cc1 ZINC000908460669 855446365 /nfs/dbraw/zinc/44/63/65/855446365.db2.gz XDODYBQZRIHWJE-KRWDZBQOSA-N 1 0 365.503 1.171 20 10 FDCDRO C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458510 855471497 /nfs/dbraw/zinc/47/14/97/855471497.db2.gz XQCJNWZLJAEAIC-KDOFPFPSSA-N 1 0 368.547 1.920 20 10 FDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000111373688 857260170 /nfs/dbraw/zinc/26/01/70/857260170.db2.gz LCFBFORSPYHBJB-LJQANCHMSA-N 1 0 369.469 1.793 20 10 FDCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(OC)c1OCC(N)=O ZINC000028312582 857698170 /nfs/dbraw/zinc/69/81/70/857698170.db2.gz NUMVUJOULXFBNA-UHFFFAOYSA-N 1 0 373.453 1.924 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911050884 858044297 /nfs/dbraw/zinc/04/42/97/858044297.db2.gz YAGNHLAPGWFSRK-JFIYKMOQSA-N 1 0 374.529 1.470 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911056541 858055864 /nfs/dbraw/zinc/05/58/64/858055864.db2.gz USVYCWUPHRIKIL-MLGOLLRUSA-N 1 0 368.528 1.390 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C[NH3+] ZINC000911160017 858243102 /nfs/dbraw/zinc/24/31/02/858243102.db2.gz WCQLNAMQIMQTDM-DOTOQJQBSA-N 1 0 356.470 1.122 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+])c1ccc(N(C)C)cc1 ZINC000911226505 858372868 /nfs/dbraw/zinc/37/28/68/858372868.db2.gz PKZRSXKCXOTQAF-DKICVRJWSA-N 1 0 358.486 1.660 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccnn3CC[NH+](C)C)C2)cc1 ZINC000912291875 859565578 /nfs/dbraw/zinc/56/55/78/859565578.db2.gz FGVVOMZYIPZUDE-HNNXBMFYSA-N 1 0 357.458 1.462 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C[C@H]3CCCO3)CC2)cc1 ZINC000760896459 863424582 /nfs/dbraw/zinc/42/45/82/863424582.db2.gz MJQPWIHCTKOFKW-UYAOXDASSA-N 1 0 363.502 1.289 20 10 FDCDRO COC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981124 874920799 /nfs/dbraw/zinc/92/07/99/874920799.db2.gz GMCWUKPPJLYNIY-SMDDNHRTSA-N 1 0 369.849 1.871 20 10 FDCDRO COC[C@H](C)NC(=O)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075028 882914337 /nfs/dbraw/zinc/91/43/37/882914337.db2.gz OWMPVFMIAUAPNS-HNNXBMFYSA-N 1 0 364.490 1.824 20 10 FDCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(OC)c(C)cc3O)C2)nn1 ZINC000762463982 875966438 /nfs/dbraw/zinc/96/64/38/875966438.db2.gz OOHMGWFNPJDUOW-CQSZACIVSA-N 1 0 360.414 1.924 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCOC)CC(C)C)cc2=O ZINC000917100061 882986981 /nfs/dbraw/zinc/98/69/81/882986981.db2.gz BGVFULFKNNYKDV-UHFFFAOYSA-N 1 0 350.419 1.716 20 10 FDCDRO CO[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000922616172 878792833 /nfs/dbraw/zinc/79/28/33/878792833.db2.gz TXCSMUXHRVYQHY-GOSISDBHSA-N 1 0 352.500 1.970 20 10 FDCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000922825085 879385154 /nfs/dbraw/zinc/38/51/54/879385154.db2.gz ZBWPNLYIKQANKH-IBGZPJMESA-N 1 0 374.506 1.744 20 10 FDCDRO C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000766003618 879551125 /nfs/dbraw/zinc/55/11/25/879551125.db2.gz WYYDCSJNPRGSQF-HNNXBMFYSA-N 1 0 374.485 1.894 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)O[C@H]3CNOC3)cc2F)CC1 ZINC000917233891 883253411 /nfs/dbraw/zinc/25/34/11/883253411.db2.gz XOQCVOLLLOUEGA-AWEZNQCLSA-N 1 0 352.410 1.097 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cncc(O)c3)cc2)CC1 ZINC000918857434 884963499 /nfs/dbraw/zinc/96/34/99/884963499.db2.gz OFGUMPSOBFLUDW-QPJJXVBHSA-N 1 0 352.438 1.869 20 10 FDCDRO CN(C)[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cncn1C ZINC000918852380 884970156 /nfs/dbraw/zinc/97/01/56/884970156.db2.gz MDMXVISNQAQZPF-IBGZPJMESA-N 1 0 370.501 1.091 20 10 FDCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000708335363 886900975 /nfs/dbraw/zinc/90/09/75/886900975.db2.gz NEQMTURAHSCBRE-UHFFFAOYSA-N 1 0 351.266 1.572 20 10 FDCDRO CCO[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C[NH+](C)C ZINC000923188105 888311367 /nfs/dbraw/zinc/31/13/67/888311367.db2.gz PHVZXTXQOAEGHV-QAPCUYQASA-N 1 0 364.490 1.540 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C)cc1C ZINC001082557258 908588879 /nfs/dbraw/zinc/58/88/79/908588879.db2.gz UUAWORHJVPAALV-HYVNUMGLSA-N 1 0 359.470 1.466 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]([NH2+]C(C)C)C1)cc2=O ZINC000731032955 917644359 /nfs/dbraw/zinc/64/43/59/917644359.db2.gz QNYOCDQRHLXCAF-ZDUSSCGKSA-N 1 0 361.446 1.574 20 10 FDCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000732179744 919193316 /nfs/dbraw/zinc/19/33/16/919193316.db2.gz ASRPWEJPCIFUAF-UHFFFAOYSA-N 1 0 372.421 1.623 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCNC2=O)cc1C ZINC001085296594 923620329 /nfs/dbraw/zinc/62/03/29/923620329.db2.gz ISHHHKJFRDCBNE-GVDBMIGSSA-N 1 0 359.470 1.657 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@@H](C)OC)C(C)C)cc2=O ZINC000740888011 925488574 /nfs/dbraw/zinc/48/85/74/925488574.db2.gz KLEASQGRBMQROV-GFCCVEGCSA-N 1 0 350.419 1.857 20 10 FDCDRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741076462 925571986 /nfs/dbraw/zinc/57/19/86/925571986.db2.gz HBYKDXDLQBLMEK-UHFFFAOYSA-N 1 0 371.529 1.888 20 10 FDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769939176 929772894 /nfs/dbraw/zinc/77/28/94/929772894.db2.gz MQZPBSMYKYFQJZ-HNNXBMFYSA-N 1 0 351.422 1.983 20 10 FDCDRO CNC(=O)CCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000770285374 929946621 /nfs/dbraw/zinc/94/66/21/929946621.db2.gz BQQUEIRMPWPACQ-UHFFFAOYSA-N 1 0 361.486 1.640 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000771812355 930921235 /nfs/dbraw/zinc/92/12/35/930921235.db2.gz HMYOAHYIVDLIJY-YQVWRLOYSA-N 1 0 363.502 1.193 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000787668906 932363304 /nfs/dbraw/zinc/36/33/04/932363304.db2.gz IJSVSHDQNUFASD-HOTGVXAUSA-N 1 0 360.502 1.778 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000788928647 932863369 /nfs/dbraw/zinc/86/33/69/932863369.db2.gz MBARMQBRMMCXIK-LJQANCHMSA-N 1 0 372.513 1.844 20 10 FDCDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000789562180 933105033 /nfs/dbraw/zinc/10/50/33/933105033.db2.gz WASADDMOTREDDJ-ZDUSSCGKSA-N 1 0 361.402 1.305 20 10 FDCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789763990 933168673 /nfs/dbraw/zinc/16/86/73/933168673.db2.gz SMLNSAXUUBSBKJ-INIZCTEOSA-N 1 0 351.466 1.815 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc21 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C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000817990904 943124905 /nfs/dbraw/zinc/12/49/05/943124905.db2.gz DHJYJXWBQHHGPT-IRXDYDNUSA-N 1 0 372.513 1.844 20 10 FDCDRO COCC[NH2+]CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818654397 943318306 /nfs/dbraw/zinc/31/83/06/943318306.db2.gz CKLUCDBJQQFKDP-OAHLLOKOSA-N 1 0 350.463 1.057 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000818656280 943319296 /nfs/dbraw/zinc/31/92/96/943319296.db2.gz WOOVGSDESUXDQD-YJBOKZPZSA-N 1 0 362.474 1.281 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818656015 943319822 /nfs/dbraw/zinc/31/98/22/943319822.db2.gz UYJNTIQYCQPVHY-XJKSGUPXSA-N 1 0 368.428 1.818 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]CCC(=O)N(C)OC)CC2)cc1 ZINC000818942236 943353885 /nfs/dbraw/zinc/35/38/85/943353885.db2.gz BFACBLPBUWTRCC-UHFFFAOYSA-N 1 0 364.490 1.207 20 10 FDCDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000818978775 943367970 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/nfs/dbraw/zinc/08/76/62/947087662.db2.gz INNVSZRXJCFMLD-UHFFFAOYSA-N 1 0 356.264 1.408 20 10 FDCDRO Cc1cc(O)c(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000825247371 947089712 /nfs/dbraw/zinc/08/97/12/947089712.db2.gz RCQJXMGSGLHUDU-UHFFFAOYSA-N 1 0 361.895 1.021 20 10 FDCDRO COc1cc(Br)cc(CN2CC[N@H+](CCO)C[C@H]2C)c1O ZINC000825337966 947162963 /nfs/dbraw/zinc/16/29/63/947162963.db2.gz JVOJPCUHYIBVMQ-LLVKDONJSA-N 1 0 359.264 1.662 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]c(C)nc3C)CC2)cc1 ZINC000856742967 971368075 /nfs/dbraw/zinc/36/80/75/971368075.db2.gz SATXOZJEBYUHMP-UHFFFAOYSA-N 1 0 371.485 1.977 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844170959 947813044 /nfs/dbraw/zinc/81/30/44/947813044.db2.gz OFXDSLOBFDKUCR-UHFFFAOYSA-N 1 0 369.469 1.115 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844174175 947817712 /nfs/dbraw/zinc/81/77/12/947817712.db2.gz OPVIQZMHVGELFE-WQVCFCJDSA-N 1 0 369.387 1.909 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000844174306 947817720 /nfs/dbraw/zinc/81/77/20/947817720.db2.gz VEBYUTFWLMQITD-UHFFFAOYSA-N 1 0 369.469 1.194 20 10 FDCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844177688 947819613 /nfs/dbraw/zinc/81/96/13/947819613.db2.gz FGGQEEAVEWZWAE-ZSHCYNCHSA-N 1 0 351.397 1.838 20 10 FDCDRO C[NH2+]C[C@H]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844217762 947844359 /nfs/dbraw/zinc/84/43/59/947844359.db2.gz MFIYZQQEOOEYKE-QGZVFWFLSA-N 1 0 360.502 1.275 20 10 FDCDRO CNC(=O)CCSC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844282968 947942611 /nfs/dbraw/zinc/94/26/11/947942611.db2.gz NTOXKGAJBDFKOI-MRXNPFEDSA-N 1 0 367.515 1.047 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)CCn2nc3ccccn3c2=O)cc1 ZINC000844399829 948029265 /nfs/dbraw/zinc/02/92/65/948029265.db2.gz PKCIQFABDDVIJX-UHFFFAOYSA-N 1 0 355.442 1.573 20 10 FDCDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCSc1nccs1)C2 ZINC000857101699 971580091 /nfs/dbraw/zinc/58/00/91/971580091.db2.gz NBPMDXRZFATXMZ-IAQYHMDHSA-N 1 0 354.501 1.081 20 10 FDCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144509256 949786628 /nfs/dbraw/zinc/78/66/28/949786628.db2.gz QNDRNHMJISWXJF-UHFFFAOYSA-N 1 0 372.421 1.908 20 10 FDCDRO CC(C)NC(=O)[C@@H]1Cn2nccc2C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144510302 949790299 /nfs/dbraw/zinc/79/02/99/949790299.db2.gz WWUCIINGFSCMLD-LBPRGKRZSA-N 1 0 360.414 1.157 20 10 FDCDRO COc1cc(C)nc(OC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)n1 ZINC001144516456 949808062 /nfs/dbraw/zinc/80/80/62/949808062.db2.gz YSXOQCRUVQWGSE-UHFFFAOYSA-N 1 0 361.398 1.954 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC[C@H]3CC3(F)F)CC2)cc1 ZINC000857239371 971667517 /nfs/dbraw/zinc/66/75/17/971667517.db2.gz RCJKQAONJFNWHS-DOTOQJQBSA-N 1 0 369.456 1.813 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1F ZINC000846333037 950942303 /nfs/dbraw/zinc/94/23/03/950942303.db2.gz XSWKWXXTRMRMCB-UHFFFAOYSA-N 1 0 350.438 1.095 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2F)C[C@@H](C)O1 ZINC000846673957 951438847 /nfs/dbraw/zinc/43/88/47/951438847.db2.gz YOKFZAYLAFYPFZ-CPUCHLNUSA-N 1 0 366.481 1.335 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C)cc1C ZINC001094159074 959930806 /nfs/dbraw/zinc/93/08/06/959930806.db2.gz XODVFIITSDLJOF-GDBMZVCRSA-N 1 0 357.458 1.549 20 10 FDCDRO O=C1NC(=O)[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Br)cc2O)N1 ZINC001181588317 960973786 /nfs/dbraw/zinc/97/37/86/960973786.db2.gz IBRRRBJIWXUOIR-MEBBXXQBSA-N 1 0 368.231 1.623 20 10 FDCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172019882 961407188 /nfs/dbraw/zinc/40/71/88/961407188.db2.gz TYDNENXWMWESDR-IBGZPJMESA-N 1 0 373.497 1.987 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C[C@@H]1C(=O)OC ZINC001173582758 962453838 /nfs/dbraw/zinc/45/38/38/962453838.db2.gz FTJJXKVXLXMKPK-QKDCVEJESA-N 1 0 363.410 1.587 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001184666463 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FMGIWUDQSPALHI-ZDUSSCGKSA-N 1 0 351.447 1.425 20 10 FDCDRO COC(=O)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2O)CC1)C(C)C ZINC001190264743 967702531 /nfs/dbraw/zinc/70/25/31/967702531.db2.gz HBMSDKXUMVPJCR-KRWDZBQOSA-N 1 0 363.458 1.853 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000775369954 967714999 /nfs/dbraw/zinc/71/49/99/967714999.db2.gz CRNGEDHRCDLORI-LBPRGKRZSA-N 1 0 366.439 1.778 20 10 FDCDRO CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376324 967766649 /nfs/dbraw/zinc/76/66/49/967766649.db2.gz STEJWYIMKQELQY-DJJJIMSYSA-N 1 0 371.437 1.655 20 10 FDCDRO CCn1cnc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000854309161 968762521 /nfs/dbraw/zinc/76/25/21/968762521.db2.gz GQJCOKJAQGWFOD-UHFFFAOYSA-N 1 0 371.485 1.854 20 10 FDCDRO CS(=O)(=O)N(C(=O)c1ccc(O)c(O)c1Cl)c1ccc(C[NH3+])cc1 ZINC001193236507 969565544 /nfs/dbraw/zinc/56/55/44/969565544.db2.gz FXSQIGRJKHDBOT-UHFFFAOYSA-N 1 0 370.814 1.816 20 10 FDCDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C2 ZINC000854738890 969933978 /nfs/dbraw/zinc/93/39/78/969933978.db2.gz QFXBFNQCQHHWIP-KRWDZBQOSA-N 1 0 367.471 1.322 20 10 FDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776811815 970385839 /nfs/dbraw/zinc/38/58/39/970385839.db2.gz CIDGJASZDXXSDA-MJGOQNOKSA-N 1 0 368.449 1.572 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@H]3CCCOC3)CC2)cc1 ZINC000796196431 1014041128 /nfs/dbraw/zinc/04/11/28/1014041128.db2.gz DYJSLENBGNXCBE-OALUTQOASA-N 1 0 363.502 1.289 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863031985 972620677 /nfs/dbraw/zinc/62/06/77/972620677.db2.gz DCDOVRKUGFWGOY-AWEZNQCLSA-N 1 0 367.471 1.510 20 10 FDCDRO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]c1=O ZINC000775831746 972923522 /nfs/dbraw/zinc/92/35/22/972923522.db2.gz UGJYKNGAMPECFE-LLVKDONJSA-N 1 0 359.430 1.151 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cccnc3C)CC2)cc1 ZINC000863578858 973030307 /nfs/dbraw/zinc/03/03/07/973030307.db2.gz YBEYQRXGSSJRKB-HXUWFJFHSA-N 1 0 370.497 1.671 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000863750157 973169699 /nfs/dbraw/zinc/16/96/99/973169699.db2.gz BWOVAKHCYUIUMF-BGYRXZFFSA-N 1 0 358.486 1.169 20 10 FDCDRO COc1ccc(N2CCN(C(=S)NCCC[NH+](C)C)CC2)c(OC)c1 ZINC000865259658 974202664 /nfs/dbraw/zinc/20/26/64/974202664.db2.gz FOYBBSMXDDNUOX-UHFFFAOYSA-N 1 0 366.531 1.652 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@@]34COC(=O)N3CCOC4)CC2)cc1 ZINC000865770292 974475765 /nfs/dbraw/zinc/47/57/65/974475765.db2.gz JVLBCORSDDQVGC-LJQANCHMSA-N 1 0 361.442 1.475 20 10 FDCDRO CCOC(=O)[C@@H](C)NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001199862342 974544482 /nfs/dbraw/zinc/54/44/82/974544482.db2.gz OKSDZUMISOVDNM-CQSZACIVSA-N 1 0 364.515 1.354 20 10 FDCDRO COc1ccc(O)c(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000776154077 975005699 /nfs/dbraw/zinc/00/56/99/975005699.db2.gz NNCPTVAMZFAUNY-IBGZPJMESA-N 1 0 355.394 1.745 20 10 FDCDRO CC[C@@](C)(CO)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000847301340 975438915 /nfs/dbraw/zinc/43/89/15/975438915.db2.gz YWWRVAXHWHSQHC-FQEVSTJZSA-N 1 0 363.502 1.732 20 10 FDCDRO C[C@H](CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC(N)=O ZINC000847641660 975940709 /nfs/dbraw/zinc/94/07/09/975940709.db2.gz ZLDDHTRYTCEXLQ-OAHLLOKOSA-N 1 0 373.501 1.282 20 10 FDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709967 975940822 /nfs/dbraw/zinc/94/08/22/975940822.db2.gz UTAPRDYGPDXIEV-BMFZPTHFSA-N 1 0 363.389 1.101 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNCc3nc([C@H]4CCCO4)n[nH]3)cc2)CC1 ZINC000848563663 976903680 /nfs/dbraw/zinc/90/36/80/976903680.db2.gz XZXXPHMCBJBBOM-QGZVFWFLSA-N 1 0 356.474 1.698 20 10 FDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000848900085 977229034 /nfs/dbraw/zinc/22/90/34/977229034.db2.gz AWOFRGCMTFGYRX-KRWDZBQOSA-N 1 0 368.499 1.581 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=[NH2+])NC[C@@H]3CCCO3)CC2)cc1 ZINC000849016322 977291845 /nfs/dbraw/zinc/29/18/45/977291845.db2.gz BYCNZPDYLFDNFU-SFHVURJKSA-N 1 0 361.490 1.110 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cnc(C(C)C)n3)CC2)cc1 ZINC000849325719 977428195 /nfs/dbraw/zinc/42/81/95/977428195.db2.gz QKJDBUWBDQIMHY-KRWDZBQOSA-N 1 0 359.474 1.593 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849417583 977544969 /nfs/dbraw/zinc/54/49/69/977544969.db2.gz VQGFBRPRVPQZBP-OAHLLOKOSA-N 1 0 355.504 1.535 20 10 FDCDRO COc1cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850314749 978306792 /nfs/dbraw/zinc/30/67/92/978306792.db2.gz ZRKOWKPCSKBFIK-KRWDZBQOSA-N 1 0 357.472 1.338 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]CC3(C)CC3)CC2)cc1 ZINC000850365854 978340251 /nfs/dbraw/zinc/34/02/51/978340251.db2.gz REUGWGCYEXMSTB-UHFFFAOYSA-N 1 0 367.515 1.537 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000851661639 978988315 /nfs/dbraw/zinc/98/83/15/978988315.db2.gz MLPZTXIEQJOISY-RDJZCZTQSA-N 1 0 360.502 1.835 20 10 FDCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1[NH3+] ZINC000851681861 978995697 /nfs/dbraw/zinc/99/56/97/978995697.db2.gz RJSZYSRRSIBKLH-APWZRJJASA-N 1 0 360.502 1.917 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000851685475 978997168 /nfs/dbraw/zinc/99/71/68/978997168.db2.gz CYXRPBVWWPAFFX-UHFFFAOYSA-N 1 0 362.449 1.156 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)[C@H]1CCCOC1)cc2=O ZINC000880468707 979214726 /nfs/dbraw/zinc/21/47/26/979214726.db2.gz RKMQVOKASYTRSF-SWLSCSKDSA-N 1 0 362.430 1.906 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@]3(CC[N@H+](C)C3)C1)cc2=O ZINC000852106523 979353866 /nfs/dbraw/zinc/35/38/66/979353866.db2.gz ZXTNGSPHVUXNMM-LJQANCHMSA-N 1 0 373.457 1.529 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc(C4CC4)nn3)CC2)cc1 ZINC000881418850 979926609 /nfs/dbraw/zinc/92/66/09/979926609.db2.gz JQCWOMXFHPBGJE-QGZVFWFLSA-N 1 0 357.458 1.347 20 10 FDCDRO C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849521 980210121 /nfs/dbraw/zinc/21/01/21/980210121.db2.gz FAYNSLNSMRHOHW-HNNXBMFYSA-N 1 0 370.453 1.466 20 10 FDCDRO Cc1nn2cccnc2c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850492 980211949 /nfs/dbraw/zinc/21/19/49/980211949.db2.gz WQBVZNPIIIBDRN-UHFFFAOYSA-N 1 0 364.453 1.720 20 10 FDCDRO Cn1nc2c(c1C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CCCC2 ZINC000881851189 980212753 /nfs/dbraw/zinc/21/27/53/980212753.db2.gz PLZFWAGLVNGUST-UHFFFAOYSA-N 1 0 367.497 1.981 20 10 FDCDRO CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852706 980216461 /nfs/dbraw/zinc/21/64/61/980216461.db2.gz BWCHJLNAOCZRGK-PKOBYXMFSA-N 1 0 361.486 1.496 20 10 FDCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N(C)CC(F)(F)F ZINC000881853905 980218399 /nfs/dbraw/zinc/21/83/99/980218399.db2.gz OAVZQABDHSKADB-CQSZACIVSA-N 1 0 372.435 1.937 20 10 FDCDRO CCn1nccc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662233 980801985 /nfs/dbraw/zinc/80/19/85/980801985.db2.gz CJZOETYPTKKHPD-UHFFFAOYSA-N 1 0 363.487 1.133 20 10 FDCDRO C[N@@H+]1CC[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1(C)C ZINC000858135929 981853381 /nfs/dbraw/zinc/85/33/81/981853381.db2.gz HRHUKGKOVKYDEZ-KRWDZBQOSA-N 1 0 365.543 1.884 20 10 FDCDRO CN(C)C(=O)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883195651 982007200 /nfs/dbraw/zinc/00/72/00/982007200.db2.gz ZUHFXAGBJZHTHR-UHFFFAOYSA-N 1 0 361.490 1.106 20 10 FDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883302116 982057825 /nfs/dbraw/zinc/05/78/25/982057825.db2.gz QSFOGPZQJYDBLD-QGZVFWFLSA-N 1 0 361.534 1.968 20 10 FDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489895 982075879 /nfs/dbraw/zinc/07/58/79/982075879.db2.gz OOKGOBYJNJVTBX-QWHCGFSZSA-N 1 0 354.414 1.768 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCOc3cccnc3)cc2)CC1 ZINC000883411670 982122434 /nfs/dbraw/zinc/12/24/34/982122434.db2.gz FKKPYMAXXSWCFF-UHFFFAOYSA-N 1 0 369.469 1.712 20 10 FDCDRO CCO[C@H](CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000858611934 982152211 /nfs/dbraw/zinc/15/22/11/982152211.db2.gz OWTFXXPJURQDEF-DLBZAZTESA-N 1 0 355.504 1.487 20 10 FDCDRO CCN(C)C(=O)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883641918 982337602 /nfs/dbraw/zinc/33/76/02/982337602.db2.gz ZHGVEUOIWQZTTP-OAHLLOKOSA-N 1 0 361.490 1.104 20 10 FDCDRO COc1cccnc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883734777 982424446 /nfs/dbraw/zinc/42/44/46/982424446.db2.gz IPCWVGFFYZRIPA-UHFFFAOYSA-N 1 0 369.469 1.841 20 10 FDCDRO CC(=O)N(CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000884009705 982699127 /nfs/dbraw/zinc/69/91/27/982699127.db2.gz FCXBCMROCXBQJT-LJQANCHMSA-N 1 0 354.454 1.922 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884531575 983223635 /nfs/dbraw/zinc/22/36/35/983223635.db2.gz PPAGMMLVKCUMLJ-NRFANRHFSA-N 1 0 372.513 1.669 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(=O)[nH]cn1 ZINC000860535033 983434748 /nfs/dbraw/zinc/43/47/48/983434748.db2.gz YOJAASDZUQXEAG-UHFFFAOYSA-N 1 0 367.453 1.644 20 10 FDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861749750 983895838 /nfs/dbraw/zinc/89/58/38/983895838.db2.gz IVISNQOVTUCMOT-GOSISDBHSA-N 1 0 358.486 1.142 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000861796576 983926814 /nfs/dbraw/zinc/92/68/14/983926814.db2.gz YCIRAKRSMPZTFF-UHFFFAOYSA-N 1 0 363.458 1.145 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cc(C)ccc2O)CC1=O ZINC000862760771 984523628 /nfs/dbraw/zinc/52/36/28/984523628.db2.gz UYUCGZMXVHLUPK-IAGOWNOFSA-N 1 0 359.470 1.650 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000872210050 987516701 /nfs/dbraw/zinc/51/67/01/987516701.db2.gz HFCFKENGZYGBMV-QFBILLFUSA-N 1 0 350.503 1.874 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3CC[N@H+](C)C[C@H]31)cc2=O ZINC000361100826 988273559 /nfs/dbraw/zinc/27/35/59/988273559.db2.gz ANZIOLQQRXCODC-IUODEOHRSA-N 1 0 359.430 1.138 20 10 FDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000825637418 988306312 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ZINC000167820384 525610975 /nfs/dbraw/zinc/61/09/75/525610975.db2.gz OCRUIZDPRXYYCJ-UHFFFAOYSA-N 1 0 358.486 1.214 20 10 FDCDRO O=C(C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)N1CCOCC1 ZINC000179689650 525616965 /nfs/dbraw/zinc/61/69/65/525616965.db2.gz UZIYTQVMSGKYSA-UHFFFAOYSA-N 1 0 373.497 1.594 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000180073969 525658245 /nfs/dbraw/zinc/65/82/45/525658245.db2.gz BELYVDRCLJSMJS-UHFFFAOYSA-N 1 0 361.486 1.777 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)c3cnn(C)c3)cc2F)CC1 ZINC000106702163 525772898 /nfs/dbraw/zinc/77/28/98/525772898.db2.gz MISVCTBVNVFLKS-UHFFFAOYSA-N 1 0 373.432 1.200 20 10 FDCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000181042538 525795328 /nfs/dbraw/zinc/79/53/28/525795328.db2.gz ZLQYIMYPQCXOET-UHFFFAOYSA-N 1 0 365.411 1.677 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3nnc(C)o3)CC2)cc1 ZINC000171789379 526123507 /nfs/dbraw/zinc/12/35/07/526123507.db2.gz NYTHOBZYJOICMZ-UHFFFAOYSA-N 1 0 373.457 1.258 20 10 FDCDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Br)ccc1O ZINC000134111552 526126107 /nfs/dbraw/zinc/12/61/07/526126107.db2.gz OFWXVACSSPJCGL-LLVKDONJSA-N 1 0 356.220 1.747 20 10 FDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000182572086 535826570 /nfs/dbraw/zinc/82/65/70/535826570.db2.gz LECBZTOWZILEKZ-KRWDZBQOSA-N 1 0 352.500 1.562 20 10 FDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000187027925 536253075 /nfs/dbraw/zinc/25/30/75/536253075.db2.gz JEFUVNBTINGZOR-AWEZNQCLSA-N 1 0 370.490 1.965 20 10 FDCDRO COC(=O)/C=C/c1ccc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000188551697 536296270 /nfs/dbraw/zinc/29/62/70/536296270.db2.gz BPTHFDUBCLSNKM-VTGPQGOBSA-N 1 0 363.414 1.672 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncoc3C)CC2)cc1 ZINC000263958920 537132995 /nfs/dbraw/zinc/13/29/95/537132995.db2.gz CZVHONNGPDTZER-UHFFFAOYSA-N 1 0 358.442 1.934 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSCC(C)=O)cc2F)CC1 ZINC000192492951 537224839 /nfs/dbraw/zinc/22/48/39/537224839.db2.gz RQUQONDBVQDGEN-UHFFFAOYSA-N 1 0 367.490 1.906 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000283895199 537390654 /nfs/dbraw/zinc/39/06/54/537390654.db2.gz GDHHDPFXULDYOL-MJGOQNOKSA-N 1 0 372.513 1.702 20 10 FDCDRO CC[NH+](CC)CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271297703 537420675 /nfs/dbraw/zinc/42/06/75/537420675.db2.gz QHZGPCMHCFTMBB-UHFFFAOYSA-N 1 0 357.476 1.616 20 10 FDCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273526056 537457723 /nfs/dbraw/zinc/45/77/23/537457723.db2.gz UGIIPJGLJDCIPR-UHFFFAOYSA-N 1 0 366.395 1.873 20 10 FDCDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285735481 537752873 /nfs/dbraw/zinc/75/28/73/537752873.db2.gz OPGJTSAGKSOAMC-UHFFFAOYSA-N 1 0 366.481 1.698 20 10 FDCDRO Cc1ccc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)c(O)c1O ZINC000376852678 537923835 /nfs/dbraw/zinc/92/38/35/537923835.db2.gz VWAFCXURGIMDNX-UHFFFAOYSA-N 1 0 361.486 1.896 20 10 FDCDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372461857 537957054 /nfs/dbraw/zinc/95/70/54/537957054.db2.gz AUOGSJXKWXDZPF-UHFFFAOYSA-N 1 0 373.545 1.846 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000372975616 538071137 /nfs/dbraw/zinc/07/11/37/538071137.db2.gz GNZABCDYUJFOEL-CYBMUJFWSA-N 1 0 373.457 2.314 20 10 FDCDRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824625433 608474282 /nfs/dbraw/zinc/47/42/82/608474282.db2.gz HZSIIVFPEOBBEU-AWEZNQCLSA-N 1 0 365.441 1.949 20 10 FDCDRO COc1cc(N2CC[NH+](C[C@@H](O)CSC)CC2)cc(OC)c1OC ZINC000275141692 674609073 /nfs/dbraw/zinc/60/90/73/674609073.db2.gz DRAVOVWNJFWRKC-CQSZACIVSA-N 1 0 356.488 1.558 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCSC[C@@H](C)C1)cc2=O ZINC000276832897 674778656 /nfs/dbraw/zinc/77/86/56/674778656.db2.gz GTRCOFRIQPRUBJ-NSHDSACASA-N 1 0 350.444 1.797 20 10 FDCDRO COc1c([O-])c(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278520083 675148190 /nfs/dbraw/zinc/14/81/90/675148190.db2.gz RTYFVMFABHELJN-UHFFFAOYSA-N 1 0 352.435 1.425 20 10 FDCDRO CCN(CC)S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106896020 671608864 /nfs/dbraw/zinc/60/88/64/671608864.db2.gz WKRYTMKPSBBFFJ-UHFFFAOYSA-N 1 0 372.510 1.644 20 10 FDCDRO O=S1(=O)CCC(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000120849763 671696405 /nfs/dbraw/zinc/69/64/05/671696405.db2.gz ZOKTWTMAOZSNEI-UHFFFAOYSA-N 1 0 356.463 1.577 20 10 FDCDRO COc1c(O)c(CN2CC[NH+]([C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000375721782 678162127 /nfs/dbraw/zinc/16/21/27/678162127.db2.gz WTODGDBVQNKHNR-ZDUSSCGKSA-N 1 0 353.444 1.932 20 10 FDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1O ZINC000375916672 678196158 /nfs/dbraw/zinc/19/61/58/678196158.db2.gz NPSNNDIGYDPVMF-OAHLLOKOSA-N 1 0 355.232 1.875 20 10 FDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000376750383 678372741 /nfs/dbraw/zinc/37/27/41/678372741.db2.gz KIVCJTIUECLKKL-UHFFFAOYSA-N 1 0 354.472 1.791 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CCCOC(=O)NC(N)=O)CC2)cc1 ZINC000378278535 678733942 /nfs/dbraw/zinc/73/39/42/678733942.db2.gz YNNCIQVOILASMJ-UHFFFAOYSA-N 1 0 350.419 1.402 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)[NH+](C)C)cc1 ZINC000891246492 774088931 /nfs/dbraw/zinc/08/89/31/774088931.db2.gz OJFLIZQCXWCAJQ-OAHLLOKOSA-N 1 0 368.441 1.762 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3c(c2)nnn3C)[NH+](C)C)cc1 ZINC000891248725 774110888 /nfs/dbraw/zinc/11/08/88/774110888.db2.gz NMGMWAOXTCBYPO-QGZVFWFLSA-N 1 0 367.457 1.462 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CC(=O)NCC(F)(F)F)[NH+](C)C)cc1 ZINC000891248678 774111189 /nfs/dbraw/zinc/11/11/89/774111189.db2.gz MQSZMLCXBAEOQO-CQSZACIVSA-N 1 0 374.407 1.540 20 10 FDCDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891251094 774128768 /nfs/dbraw/zinc/12/87/68/774128768.db2.gz DRZUYRSMTZHHKV-AEFFLSMTSA-N 1 0 360.502 1.730 20 10 FDCDRO Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252741 774136911 /nfs/dbraw/zinc/13/69/11/774136911.db2.gz NIPOXBZWTZANNB-SFHVURJKSA-N 1 0 373.501 1.901 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)[NH+](C)C)cc1 ZINC000891256010 774160817 /nfs/dbraw/zinc/16/08/17/774160817.db2.gz VLZOMIRWKHKOOX-CRAIPNDOSA-N 1 0 358.486 1.482 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2F)C[C@@H](C)O1 ZINC000891386622 776515023 /nfs/dbraw/zinc/51/50/23/776515023.db2.gz YRMDJWVYVDJILW-VDERGJSUSA-N 1 0 362.449 1.695 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2F)CC1 ZINC000891528218 778221906 /nfs/dbraw/zinc/22/19/06/778221906.db2.gz MYRUJKZKLXVPFK-IYBDPMFKSA-N 1 0 363.481 1.504 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000892001537 781165872 /nfs/dbraw/zinc/16/58/72/781165872.db2.gz VUDAAPICNKPDLB-OAHLLOKOSA-N 1 0 362.474 1.535 20 10 FDCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@@H]2C1 ZINC000892115750 781588260 /nfs/dbraw/zinc/58/82/60/781588260.db2.gz SGWAUUDGXNZNRU-MAUKXSAKSA-N 1 0 362.449 1.508 20 10 FDCDRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893118765 793076018 /nfs/dbraw/zinc/07/60/18/793076018.db2.gz KEGTZXBTPIRQDY-KBRIMQKVSA-N 1 0 368.547 1.767 20 10 FDCDRO CS(=O)(=O)C1CC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000893329510 795451976 /nfs/dbraw/zinc/45/19/76/795451976.db2.gz RWXRQFQNKYLJFE-UQPPLGOBSA-N 1 0 365.499 1.054 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3C=O)cc2)CC1 ZINC000893607000 807033384 /nfs/dbraw/zinc/03/33/84/807033384.db2.gz CTEAKWRSHYNCLU-UHFFFAOYSA-N 1 0 367.449 1.946 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279041840 808166970 /nfs/dbraw/zinc/16/69/70/808166970.db2.gz QSLKSPJUSMHPAJ-INIZCTEOSA-N 1 0 369.469 1.595 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCOC3)CC2)cc1 ZINC000178760956 810223061 /nfs/dbraw/zinc/22/30/61/810223061.db2.gz HENCNWNLJFDXOJ-INIZCTEOSA-N 1 0 362.474 1.295 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCCS(C)(=O)=O)c2cc(F)ccc2n1C ZINC000894237257 811680989 /nfs/dbraw/zinc/68/09/89/811680989.db2.gz HXBYGEKPUCUQCE-UHFFFAOYSA-N 1 0 356.419 1.628 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC1CCC1)[C@H](C)CO)cc2=O ZINC000280563423 811861718 /nfs/dbraw/zinc/86/17/18/811861718.db2.gz RISKJWOJJFWFRP-GFCCVEGCSA-N 1 0 362.430 1.595 20 10 FDCDRO CCCN(C(=O)C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CC[NH2+]C1 ZINC000419703304 812094325 /nfs/dbraw/zinc/09/43/25/812094325.db2.gz DEQVTMXOKAICBP-HNNXBMFYSA-N 1 0 356.470 1.703 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(O)c1OC ZINC000894263294 814300234 /nfs/dbraw/zinc/30/02/34/814300234.db2.gz QBRVAZRIOHEEFA-WCQYABFASA-N 1 0 358.460 1.217 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H](O)c2cnn(C)c2)c2cc(F)ccc2n1C ZINC000894315598 816544546 /nfs/dbraw/zinc/54/45/46/816544546.db2.gz LHJHHLYLYKRKSS-INIZCTEOSA-N 1 0 360.389 1.661 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@@]2(OC)CCOC2)c2cc(F)ccc2n1C ZINC000894472047 818103283 /nfs/dbraw/zinc/10/32/83/818103283.db2.gz VWLFBTYOKQGCON-SFHVURJKSA-N 1 0 350.390 1.999 20 10 FDCDRO COc1cc(C)cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000840169758 822569573 /nfs/dbraw/zinc/56/95/73/822569573.db2.gz DGMHZLBGRZCQCI-UHFFFAOYSA-N 1 0 354.472 1.709 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)C2)cc1 ZINC000895435550 822594526 /nfs/dbraw/zinc/59/45/26/822594526.db2.gz IEUAQGUEJYDWSA-MDZRGWNJSA-N 1 0 358.486 1.867 20 10 FDCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895771971 822736378 /nfs/dbraw/zinc/73/63/78/822736378.db2.gz AVAYVOMARGGPDE-KRWDZBQOSA-N 1 0 363.433 1.047 20 10 FDCDRO Cc1cncc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000895826475 822754294 /nfs/dbraw/zinc/75/42/94/822754294.db2.gz WFKSILDGHJWNCC-IBGZPJMESA-N 1 0 370.501 1.996 20 10 FDCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000895876268 822776875 /nfs/dbraw/zinc/77/68/75/822776875.db2.gz DHZWLOZQFQISSW-QFBILLFUSA-N 1 0 358.486 1.493 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)cc1 ZINC000280903396 825812361 /nfs/dbraw/zinc/81/23/61/825812361.db2.gz DZVQJGBGEYJULL-UHFFFAOYSA-N 1 0 372.473 1.002 20 10 FDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897063914 826867616 /nfs/dbraw/zinc/86/76/16/826867616.db2.gz WSVLGPOFJGTTTG-LLVKDONJSA-N 1 0 365.421 1.882 20 10 FDCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](CO)NC(=O)C[NH3+])n2)cc1 ZINC001211956380 835131882 /nfs/dbraw/zinc/13/18/82/835131882.db2.gz YICQEBSQMBYQKU-HNNXBMFYSA-N 1 0 355.398 1.252 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1Cc2ccccc2O1 ZINC000237831695 835300386 /nfs/dbraw/zinc/30/03/86/835300386.db2.gz BSWQKGYLARFONJ-IBGZPJMESA-N 1 0 355.413 1.855 20 10 FDCDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897585836 839793066 /nfs/dbraw/zinc/79/30/66/839793066.db2.gz XGVWFRUULNHORG-QGZVFWFLSA-N 1 0 350.440 1.841 20 10 FDCDRO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CCC1 ZINC000897699701 840244181 /nfs/dbraw/zinc/24/41/81/840244181.db2.gz IDDXYVNGVQSQRX-IBGZPJMESA-N 1 0 363.410 1.791 20 10 FDCDRO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897782724 840389499 /nfs/dbraw/zinc/38/94/99/840389499.db2.gz BSKUHYZQOVTGAT-SJLPKXTDSA-N 1 0 372.513 1.607 20 10 FDCDRO COC(=O)/C=C/c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046855 840918868 /nfs/dbraw/zinc/91/88/68/840918868.db2.gz HJFFGHJIOFFGMG-CXSYMGSUSA-N 1 0 363.414 1.672 20 10 FDCDRO COC(=O)CN1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450901 844699512 /nfs/dbraw/zinc/69/95/12/844699512.db2.gz VEVVVGBZMBEAHY-LJQANCHMSA-N 1 0 362.518 1.582 20 10 FDCDRO CN(C)c1ccc([C@H](CNCc2cn(C[C@@H]3CCCO3)nn2)[NH+](C)C)cc1 ZINC000898447248 844714047 /nfs/dbraw/zinc/71/40/47/844714047.db2.gz IBSMNXYAUFLMRN-PMACEKPBSA-N 1 0 372.517 1.916 20 10 FDCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)N(C)C)cc1 ZINC000898448068 844715711 /nfs/dbraw/zinc/71/57/11/844715711.db2.gz OSMWQSSLHFTUIX-GOSISDBHSA-N 1 0 353.532 1.770 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842153661 845016985 /nfs/dbraw/zinc/01/69/85/845016985.db2.gz PHBSYWXKJHEWBI-HXUWFJFHSA-N 1 0 358.486 1.279 20 10 FDCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842172000 845284277 /nfs/dbraw/zinc/28/42/77/845284277.db2.gz YWYAYELJPKCMAX-AEFFLSMTSA-N 1 0 356.470 1.313 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCOC[C@H]2CCO)[NH+](C)C)cc1 ZINC000899096838 845757391 /nfs/dbraw/zinc/75/73/91/845757391.db2.gz VEDODAKPQGVDLN-QZTJIDSGSA-N 1 0 364.490 1.148 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000842228370 845765497 /nfs/dbraw/zinc/76/54/97/845765497.db2.gz GEKUHNXRCNLOAH-RDJZCZTQSA-N 1 0 372.513 1.748 20 10 FDCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](CO)O1 ZINC000899103364 845775768 /nfs/dbraw/zinc/77/57/68/845775768.db2.gz KUJGFJNLVTYGSE-FHLIZLRMSA-N 1 0 364.490 1.147 20 10 FDCDRO Cc1nnc([C@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000899104930 845778393 /nfs/dbraw/zinc/77/83/93/845778393.db2.gz SVJLSLAVKSUSDG-BLLLJJGKSA-N 1 0 359.478 1.842 20 10 FDCDRO CO[C@](C)(CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098875 845792378 /nfs/dbraw/zinc/79/23/78/845792378.db2.gz UIVQZKNNQMWJFS-AEFFLSMTSA-N 1 0 352.479 1.052 20 10 FDCDRO COC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100811 845797790 /nfs/dbraw/zinc/79/77/90/845797790.db2.gz DYWBKXLEMWCETF-WMZOPIPTSA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC000899101264 845798582 /nfs/dbraw/zinc/79/85/82/845798582.db2.gz GVGIPQIYLFVZSP-PBHICJAKSA-N 1 0 361.490 1.262 20 10 FDCDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842250971 845972116 /nfs/dbraw/zinc/97/21/16/845972116.db2.gz WHAJJERXBZKUMB-OAHLLOKOSA-N 1 0 372.469 1.585 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842265782 846126806 /nfs/dbraw/zinc/12/68/06/846126806.db2.gz NTUBQBHTBZVLFC-MAUKXSAKSA-N 1 0 360.502 1.604 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000842267579 846135544 /nfs/dbraw/zinc/13/55/44/846135544.db2.gz YLUQZXRYSIYPQB-MRXNPFEDSA-N 1 0 358.486 1.502 20 10 FDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000899471850 846274030 /nfs/dbraw/zinc/27/40/30/846274030.db2.gz BIPWOCOZOMRBEO-INIZCTEOSA-N 1 0 358.486 1.346 20 10 FDCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC1(O)CCCC1 ZINC000905283585 851815576 /nfs/dbraw/zinc/81/55/76/851815576.db2.gz GVKVNOLWKNMOEA-OAHLLOKOSA-N 1 0 370.440 1.947 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H]3C(F)F)CC2)cc1 ZINC000905975266 852451345 /nfs/dbraw/zinc/45/13/45/852451345.db2.gz PZYGDLGCGUTLFS-WBVHZDCISA-N 1 0 355.429 1.518 20 10 FDCDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000907272601 853974868 /nfs/dbraw/zinc/97/48/68/853974868.db2.gz GNUJXEHSNBXUSE-INIZCTEOSA-N 1 0 363.502 1.951 20 10 FDCDRO COC[C@H](C)CS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460518 855446757 /nfs/dbraw/zinc/44/67/57/855446757.db2.gz WDWDIFGUJHCUAT-YOEHRIQHSA-N 1 0 357.520 1.557 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911046147 858082988 /nfs/dbraw/zinc/08/29/88/858082988.db2.gz BUYKWRNQYQRDNB-SOLBZPMBSA-N 1 0 374.529 1.552 20 10 FDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000911111415 858137652 /nfs/dbraw/zinc/13/76/52/858137652.db2.gz GFOMCYYRGBAROH-KRWDZBQOSA-N 1 0 358.486 1.286 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911124919 858179658 /nfs/dbraw/zinc/17/96/58/858179658.db2.gz MQILTEIRTOEFAA-JXFKEZNVSA-N 1 0 358.486 1.407 20 10 FDCDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000911156885 858238539 /nfs/dbraw/zinc/23/85/39/858238539.db2.gz DFXGLPOSPZBWNG-JZXOWHBKSA-N 1 0 354.454 1.017 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(N(C)C)cc1 ZINC000911225066 858369634 /nfs/dbraw/zinc/36/96/34/858369634.db2.gz AYQVJNUTMQYNKZ-QRWLVFNGSA-N 1 0 358.486 1.674 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@]3(O)CCC[N@H+](C)C3)C2)cc1 ZINC000911277927 858398314 /nfs/dbraw/zinc/39/83/14/858398314.db2.gz YCWNUXLCIAWEJO-OXJNMPFZSA-N 1 0 361.486 1.485 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2NCCOc3ccccc32)cc1 ZINC000911667183 858879914 /nfs/dbraw/zinc/87/99/14/858879914.db2.gz OTJDINZMEXZLJI-HKUYNNGSSA-N 1 0 354.454 1.592 20 10 FDCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000073915488 881355487 /nfs/dbraw/zinc/35/54/87/881355487.db2.gz GYTPFYLRHXFZOV-OAHLLOKOSA-N 1 0 365.497 1.574 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCN(c4ncc(F)cn4)CC3)cc2)CC1 ZINC000761227273 864457950 /nfs/dbraw/zinc/45/79/50/864457950.db2.gz YSOKYWYLNKYPDB-UHFFFAOYSA-N 1 0 370.476 1.690 20 10 FDCDRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000762359398 875807289 /nfs/dbraw/zinc/80/72/89/875807289.db2.gz NJCSJBXXQZEVSV-ZWKOTPCHSA-N 1 0 364.559 1.688 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000763049995 877685301 /nfs/dbraw/zinc/68/53/01/877685301.db2.gz JXEXUYZEPZKDCE-FQEVSTJZSA-N 1 0 360.502 1.789 20 10 FDCDRO CO[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000922616175 878792684 /nfs/dbraw/zinc/79/26/84/878792684.db2.gz TXCSMUXHRVYQHY-SFHVURJKSA-N 1 0 352.500 1.970 20 10 FDCDRO Cc1nc(N)nc(C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918857911 884963034 /nfs/dbraw/zinc/96/30/34/884963034.db2.gz XHAJVYFQAVARPA-UHFFFAOYSA-N 1 0 354.458 1.357 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000154936152 885489137 /nfs/dbraw/zinc/48/91/37/885489137.db2.gz PVLMSVHSYKEBNR-UHFFFAOYSA-N 1 0 363.502 1.574 20 10 FDCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C)C(N)=O ZINC001107057166 900242644 /nfs/dbraw/zinc/24/26/44/900242644.db2.gz PCNDECQTLVNHLO-NTZNESFSSA-N 1 0 360.418 1.021 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](CCCCO)CC2)cc1 ZINC000750057685 905752964 /nfs/dbraw/zinc/75/29/64/905752964.db2.gz XEMOARVIYXJSSK-UHFFFAOYSA-N 1 0 362.518 1.101 20 10 FDCDRO O=C(NC1CC1)C(=O)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054545121 912207361 /nfs/dbraw/zinc/20/73/61/912207361.db2.gz USQVHVMXFPHVFT-UHFFFAOYSA-N 1 0 353.422 1.468 20 10 FDCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000730280567 916456184 /nfs/dbraw/zinc/45/61/84/916456184.db2.gz VCNONOWESYOILH-FUHWJXTLSA-N 1 0 360.502 1.591 20 10 FDCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000731543042 918216643 /nfs/dbraw/zinc/21/66/43/918216643.db2.gz GZRRNTWNBBBAFQ-UHFFFAOYSA-N 1 0 362.474 1.476 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000734515423 923411955 /nfs/dbraw/zinc/41/19/55/923411955.db2.gz YWDUTLNEFDUICM-IBGZPJMESA-N 1 0 359.518 1.674 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H](C)S[C@@H](C)C1)cc2=O ZINC000744412605 926670220 /nfs/dbraw/zinc/67/02/20/926670220.db2.gz HBFWBVQLUUNJQW-QWRGUYRKSA-N 1 0 350.444 1.937 20 10 FDCDRO COc1ccc2c(c1)CCCN2CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000766338806 927712507 /nfs/dbraw/zinc/71/25/07/927712507.db2.gz FAYVUEWVWPXGLA-UHFFFAOYSA-N 1 0 358.442 1.422 20 10 FDCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000741261896 929155046 /nfs/dbraw/zinc/15/50/46/929155046.db2.gz RJENRQGGOZYNBA-UHFFFAOYSA-N 1 0 364.261 1.184 20 10 FDCDRO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000785985830 931699788 /nfs/dbraw/zinc/69/97/88/931699788.db2.gz RHJFKJVUHYCCNH-QGZVFWFLSA-N 1 0 362.451 1.834 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000786327114 931888461 /nfs/dbraw/zinc/88/84/61/931888461.db2.gz VFTQGYLGBKFMPF-UHFFFAOYSA-N 1 0 374.529 1.914 20 10 FDCDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000786944040 932113859 /nfs/dbraw/zinc/11/38/59/932113859.db2.gz CVMZZIVRDBNYIX-CYBMUJFWSA-N 1 0 356.463 1.748 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000787670907 932363855 /nfs/dbraw/zinc/36/38/55/932363855.db2.gz NTNULZUISOBNEX-MRXNPFEDSA-N 1 0 361.486 1.979 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)NCCOCC[NH+](C)C)CC2)cc1 ZINC000788018283 932518192 /nfs/dbraw/zinc/51/81/92/932518192.db2.gz RNMMIIFYPBNLFC-UHFFFAOYSA-N 1 0 364.490 1.541 20 10 FDCDRO COCC1(C)C[NH+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000788439989 932694006 /nfs/dbraw/zinc/69/40/06/932694006.db2.gz ZPJHHTKDLLNZRD-SFHVURJKSA-N 1 0 363.502 1.146 20 10 FDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910385 932875038 /nfs/dbraw/zinc/87/50/38/932875038.db2.gz KJHIXAKDBNIOAT-SFHVURJKSA-N 1 0 372.513 1.894 20 10 FDCDRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788913688 932877035 /nfs/dbraw/zinc/87/70/35/932877035.db2.gz YDFJNAQDJQKYAB-UHFFFAOYSA-N 1 0 360.502 1.751 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3OCCO3)CC2)cc1 ZINC000789946230 933263467 /nfs/dbraw/zinc/26/34/67/933263467.db2.gz ARPUVNNHQIYPTO-UHFFFAOYSA-N 1 0 363.458 1.087 20 10 FDCDRO C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)C[NH+]1CCCC1 ZINC000790192676 933406953 /nfs/dbraw/zinc/40/69/53/933406953.db2.gz YPDLXKWTZMXNRZ-ZDUSSCGKSA-N 1 0 370.544 1.590 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000804430120 938431651 /nfs/dbraw/zinc/43/16/51/938431651.db2.gz VEXSROWZLOFVMT-HNNXBMFYSA-N 1 0 360.502 1.700 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804733436 938557968 /nfs/dbraw/zinc/55/79/68/938557968.db2.gz HRKYYTPVPPFTHD-SFHVURJKSA-N 1 0 368.481 1.280 20 10 FDCDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000806279905 939878397 /nfs/dbraw/zinc/87/83/97/939878397.db2.gz DRJKGFMUPWLHJH-NEPJUHHUSA-N 1 0 368.528 1.483 20 10 FDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000806280507 939879910 /nfs/dbraw/zinc/87/99/10/939879910.db2.gz PPJDKNKWIZHPJM-AAEUAGOBSA-N 1 0 368.528 1.340 20 10 FDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806330641 939901056 /nfs/dbraw/zinc/90/10/56/939901056.db2.gz PHEYRGORLWLISM-SFHVURJKSA-N 1 0 370.497 1.670 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000807099952 940249026 /nfs/dbraw/zinc/24/90/26/940249026.db2.gz IDRYULKLJYOWMR-QGZVFWFLSA-N 1 0 372.513 1.622 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000807101135 940250030 /nfs/dbraw/zinc/25/00/30/940250030.db2.gz QMSBEDAMZWOGAF-DOTOQJQBSA-N 1 0 374.529 1.914 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000807101807 940250139 /nfs/dbraw/zinc/25/01/39/940250139.db2.gz BYWPKPJEFBUHRL-UHFFFAOYSA-N 1 0 372.513 1.764 20 10 FDCDRO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)S1(=O)=O ZINC000809725058 940892463 /nfs/dbraw/zinc/89/24/63/940892463.db2.gz INYKFXOWRXWYBF-VQIMIIECSA-N 1 0 365.543 1.836 20 10 FDCDRO COc1c(O)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000809738224 940893692 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943486138 /nfs/dbraw/zinc/48/61/38/943486138.db2.gz RROBWEZPLLZGNT-AEFFLSMTSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000819272825 943521711 /nfs/dbraw/zinc/52/17/11/943521711.db2.gz INUJBTKSWFFFGV-AEFFLSMTSA-N 1 0 365.543 1.521 20 10 FDCDRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000819359289 943540832 /nfs/dbraw/zinc/54/08/32/943540832.db2.gz DNPCPKLHPKLMNG-XKGZKEIXSA-N 1 0 363.502 1.335 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CC(C)(O)C3)CC2)cc1 ZINC000822238168 944907867 /nfs/dbraw/zinc/90/78/67/944907867.db2.gz VKSGZZOBNSHCEK-UHFFFAOYSA-N 1 0 361.486 1.485 20 10 FDCDRO COCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824597193 946575111 /nfs/dbraw/zinc/57/51/11/946575111.db2.gz NBIZUCRBSFYMNX-UHFFFAOYSA-N 1 0 357.248 1.882 20 10 FDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000824678222 946678399 /nfs/dbraw/zinc/67/83/99/946678399.db2.gz PMIAKTRYHWFJOH-CQSZACIVSA-N 1 0 355.504 1.581 20 10 FDCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](O)CN1CCOCC1 ZINC000824850353 946808198 /nfs/dbraw/zinc/80/81/98/946808198.db2.gz MHPAIKCFQGYHCR-CQSZACIVSA-N 1 0 359.264 1.280 20 10 FDCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1Cl ZINC000825325460 947149676 /nfs/dbraw/zinc/14/96/76/947149676.db2.gz FSHIJFMTCCQIQT-UHFFFAOYSA-N 1 0 359.835 1.551 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844173107 947814219 /nfs/dbraw/zinc/81/42/19/947814219.db2.gz SOIOOUYSHGCOQT-ZDUSSCGKSA-N 1 0 357.376 1.523 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000844172465 947815684 /nfs/dbraw/zinc/81/56/84/947815684.db2.gz GZTNJXJAFYEUEC-OKILXGFUSA-N 1 0 365.449 1.434 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)C1 ZINC000844176296 947819303 /nfs/dbraw/zinc/81/93/03/947819303.db2.gz PTAKCYZJCWBAKU-INIZCTEOSA-N 1 0 358.486 1.666 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CO)CCF)cc2F)CC1 ZINC000844957808 948536625 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CC(C)([NH3+])CN(C(=O)c1cccc(O)c1O)S(=O)(=O)c1ccccc1 ZINC001148224750 952654146 /nfs/dbraw/zinc/65/41/46/952654146.db2.gz UPBZMQBYGXEFHA-UHFFFAOYSA-N 1 0 364.423 1.666 20 10 FDCDRO Cc1cc(C(=O)NCC(=O)c2ccc(O)c(O)c2)nn1-c1cc[nH+]cc1 ZINC001197546040 972295997 /nfs/dbraw/zinc/29/59/97/972295997.db2.gz ZPVGBLJYTCJKSM-UHFFFAOYSA-N 1 0 352.350 1.600 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C)cc1C ZINC001093739575 958653621 /nfs/dbraw/zinc/65/36/21/958653621.db2.gz NUFVGKBAQLXCJY-SJLPKXTDSA-N 1 0 371.485 1.870 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C(C)(C)O)C1)cc2=O ZINC001175975747 963337155 /nfs/dbraw/zinc/33/71/55/963337155.db2.gz ZDMAULMFHMRJPR-GFCCVEGCSA-N 1 0 362.430 1.595 20 10 FDCDRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000774857523 963902846 /nfs/dbraw/zinc/90/28/46/963902846.db2.gz KGAMBTVTLYAIQW-HNNXBMFYSA-N 1 0 360.502 1.919 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000774888921 963958649 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1 0 353.413 1.509 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNc3ccnc(C(=O)OC)n3)cc2F)CC1 ZINC000853293773 967960253 /nfs/dbraw/zinc/96/02/53/967960253.db2.gz QUHWZJXAEPMFGV-UHFFFAOYSA-N 1 0 373.432 1.578 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC000854309173 968762218 /nfs/dbraw/zinc/76/22/18/968762218.db2.gz HBDQKELKQCZJJE-BWTSREIZSA-N 1 0 359.470 1.216 20 10 FDCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c1O ZINC000863326586 972807656 /nfs/dbraw/zinc/80/76/56/972807656.db2.gz PAGPZOKKOMCTDY-CYBMUJFWSA-N 1 0 358.394 1.408 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)C[C@](C)(O)C3CC3)CC2)cc1F ZINC000863968818 973338275 /nfs/dbraw/zinc/33/82/75/973338275.db2.gz OYQGCTULMLGQFX-APWZRJJASA-N 1 0 352.450 1.868 20 10 FDCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)C2)cc1 ZINC000865609207 974384885 /nfs/dbraw/zinc/38/48/85/974384885.db2.gz TWEKKGXSSUOSDB-DLBZAZTESA-N 1 0 371.485 1.939 20 10 FDCDRO O=C1COC[C@@]2(C[NH2+]Cc3ccc(N4CCCCC4)cc3)COCCN12 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351.516 1.974 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC000866724107 975963588 /nfs/dbraw/zinc/96/35/88/975963588.db2.gz IEOXAESKOOZUGE-RBUKOAKNSA-N 1 0 358.486 1.170 20 10 FDCDRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCSc1nccs1 ZINC000866751485 975994103 /nfs/dbraw/zinc/99/41/03/975994103.db2.gz XTASGEQTENZAPV-UHFFFAOYSA-N 1 0 350.535 1.144 20 10 FDCDRO COc1ccc(N(C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1F ZINC000121818856 976845970 /nfs/dbraw/zinc/84/59/70/976845970.db2.gz GCDNUHPRRLXCCL-INIZCTEOSA-N 1 0 367.465 1.744 20 10 FDCDRO COc1ccc(N2CCC(NS(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923604529 976980564 /nfs/dbraw/zinc/98/05/64/976980564.db2.gz XCRGQNMCNIJCNO-KRWDZBQOSA-N 1 0 353.488 1.335 20 10 FDCDRO CCc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1O ZINC000848884207 977222779 /nfs/dbraw/zinc/22/27/79/977222779.db2.gz ABYKWHOFBBNYGJ-INIZCTEOSA-N 1 0 363.502 1.613 20 10 FDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1O ZINC000848904942 977231269 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1.821 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+]CC3CC3)CC2)cc1 ZINC000850365163 978339021 /nfs/dbraw/zinc/33/90/21/978339021.db2.gz CZUJNGAIPZREDP-UHFFFAOYSA-N 1 0 353.488 1.147 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000850755966 978662147 /nfs/dbraw/zinc/66/21/47/978662147.db2.gz MVVLTFZPJKGANM-SMDDNHRTSA-N 1 0 360.380 1.853 20 10 FDCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000776499228 978702568 /nfs/dbraw/zinc/70/25/68/978702568.db2.gz UDORZDOLMTYVCX-RHSMWYFYSA-N 1 0 355.456 1.617 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851679312 978994664 /nfs/dbraw/zinc/99/46/64/978994664.db2.gz BXIKXLADQQGASU-UHFFFAOYSA-N 1 0 372.473 1.827 20 10 FDCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000851685127 978996883 /nfs/dbraw/zinc/99/68/83/978996883.db2.gz PSSZIXNAKMITRY-OAHLLOKOSA-N 1 0 360.502 1.796 20 10 FDCDRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881380167 979896061 /nfs/dbraw/zinc/89/60/61/979896061.db2.gz MTGOLMLFCBLMOK-QGZVFWFLSA-N 1 0 373.501 1.848 20 10 FDCDRO COC1CCN(c2ccc(Cn3cc(CN(C)CCC[NH3+])nn3)cc2)CC1 ZINC000881380416 979897092 /nfs/dbraw/zinc/89/70/92/979897092.db2.gz RQXJFZUKPZZJPB-UHFFFAOYSA-N 1 0 372.517 1.722 20 10 FDCDRO CN(C)c1ncccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851001 980213437 /nfs/dbraw/zinc/21/34/37/980213437.db2.gz AIEUASAMAJEDIK-UHFFFAOYSA-N 1 0 353.470 1.829 20 10 FDCDRO COCc1nn(C)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852773 980216590 /nfs/dbraw/zinc/21/65/90/980216590.db2.gz DHWILQUPPRQKRC-UHFFFAOYSA-N 1 0 357.458 1.248 20 10 FDCDRO C[C@H](Oc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852769 980216640 /nfs/dbraw/zinc/21/66/40/980216640.db2.gz DGOGNNBXWKLVSG-INIZCTEOSA-N 1 0 354.454 1.917 20 10 FDCDRO Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881853182 980217617 /nfs/dbraw/zinc/21/76/17/980217617.db2.gz MPTOWIIMBPGHQX-RBUKOAKNSA-N 1 0 353.470 1.592 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCCN3CCOCC3)cc2)CC1 ZINC000881854214 980219093 /nfs/dbraw/zinc/21/90/93/980219093.db2.gz XITXHQLZGMAANT-UHFFFAOYSA-N 1 0 374.529 1.557 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccc(N)c3)cc2)CC1 ZINC000882662458 980801846 /nfs/dbraw/zinc/80/18/46/980801846.db2.gz HLFPYXKHUCYLKF-UHFFFAOYSA-N 1 0 360.483 1.499 20 10 FDCDRO COCCCCS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882663306 980803347 /nfs/dbraw/zinc/80/33/47/980803347.db2.gz URIQZBFCFPSPJY-UHFFFAOYSA-N 1 0 355.504 1.284 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCOC3)cc2)CC1 ZINC000882662895 980803416 /nfs/dbraw/zinc/80/34/16/980803416.db2.gz NZGJZAIDNMMBTE-KRWDZBQOSA-N 1 0 367.515 1.284 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCOC3)cc2)CC1 ZINC000882664253 980803769 /nfs/dbraw/zinc/80/37/69/980803769.db2.gz QCPUQBXRBSPPPG-QGZVFWFLSA-N 1 0 367.515 1.284 20 10 FDCDRO C[C@H](C1CC1)N(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664184 980803909 /nfs/dbraw/zinc/80/39/09/980803909.db2.gz NMTCSOKHXRKAKM-OAHLLOKOSA-N 1 0 366.531 1.503 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000882664255 980804047 /nfs/dbraw/zinc/80/40/47/980804047.db2.gz QFPDIOCCDGCTNP-KRWDZBQOSA-N 1 0 353.488 1.037 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000883132997 981969843 /nfs/dbraw/zinc/96/98/43/981969843.db2.gz LNUJXMGOHLYJLH-UHFFFAOYSA-N 1 0 373.501 1.235 20 10 FDCDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000858327490 981988405 /nfs/dbraw/zinc/98/84/05/981988405.db2.gz RYYMYTAVPYTJDV-DOTOQJQBSA-N 1 0 362.405 1.974 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC(C)(O)CC3)cc2)CC1 ZINC000883496570 982217535 /nfs/dbraw/zinc/21/75/35/982217535.db2.gz YGPHDVFRKPMNJT-UHFFFAOYSA-N 1 0 360.502 1.931 20 10 FDCDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000858934227 982384531 /nfs/dbraw/zinc/38/45/31/982384531.db2.gz VTUGFCGDKLUWSF-AEFFLSMTSA-N 1 0 373.501 1.282 20 10 FDCDRO Cc1nccnc1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883712949 982409348 /nfs/dbraw/zinc/40/93/48/982409348.db2.gz CSPHUHZYPOPZQZ-UHFFFAOYSA-N 1 0 368.485 1.579 20 10 FDCDRO COC[C@@H](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)OC ZINC000883770653 982457545 /nfs/dbraw/zinc/45/75/45/982457545.db2.gz WYMJNHMRRIWMIR-GOSISDBHSA-N 1 0 364.490 1.289 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)cc1 ZINC000884011244 982700479 /nfs/dbraw/zinc/70/04/79/982700479.db2.gz XYSBEUNBFQRAIC-IAGOWNOFSA-N 1 0 360.502 1.906 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CC3(C)COC3)CC2)cc1 ZINC000859572240 982924222 /nfs/dbraw/zinc/92/42/22/982924222.db2.gz YMQTWPXUMZDVSB-GOSISDBHSA-N 1 0 363.502 1.146 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC000796539639 1014909007 /nfs/dbraw/zinc/90/90/07/1014909007.db2.gz NBDADHQVWDZWKT-KRWDZBQOSA-N 1 0 369.456 1.909 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884305810 983070625 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O=C(NC1CC[NH2+]CC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000842223161 845744589 /nfs/dbraw/zinc/74/45/89/845744589.db2.gz CYYPASCXIZPHHB-UHFFFAOYSA-N 1 0 359.470 1.922 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000842229708 845768329 /nfs/dbraw/zinc/76/83/29/845768329.db2.gz LYZLWQPXTVJBHC-JKSUJKDBSA-N 1 0 374.485 1.120 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000842229820 845768485 /nfs/dbraw/zinc/76/84/85/845768485.db2.gz QWPNWCZTOSBLCQ-AEFFLSMTSA-N 1 0 374.529 1.996 20 10 FDCDRO CC(=O)N[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899098824 845792507 /nfs/dbraw/zinc/79/25/07/845792507.db2.gz SRLJXPCSQPIKLT-FUHWJXTLSA-N 1 0 361.490 1.275 20 10 FDCDRO COC[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100806 845797836 /nfs/dbraw/zinc/79/78/36/845797836.db2.gz DYWBKXLEMWCETF-AEFFLSMTSA-N 1 0 352.479 1.052 20 10 FDCDRO O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000905337969 851872416 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FDCDRO CCN1CC[C@@H]1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000910534793 857296153 /nfs/dbraw/zinc/29/61/53/857296153.db2.gz IEFICRCOLMLYMV-MRXNPFEDSA-N 1 0 371.437 1.724 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911047856 858084992 /nfs/dbraw/zinc/08/49/92/858084992.db2.gz JFBYKIQEMFCKIG-LFVTVUPYSA-N 1 0 358.486 1.117 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)ccc21 ZINC000911111359 858134759 /nfs/dbraw/zinc/13/47/59/858134759.db2.gz FRFHJBXWFKJTQO-OAQYLSRUSA-N 1 0 370.497 1.430 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911226126 858371976 /nfs/dbraw/zinc/37/19/76/858371976.db2.gz NZMDJPJTPUSFGU-LERXQTSPSA-N 1 0 372.391 1.278 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911227244 858373626 /nfs/dbraw/zinc/37/36/26/858373626.db2.gz BAWQPOXQLBVXCT-NRFANRHFSA-N 1 0 370.497 1.648 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000911378840 858541626 /nfs/dbraw/zinc/54/16/26/858541626.db2.gz VOAQLKTXOXGIKO-ZBFHGGJFSA-N 1 0 371.437 1.486 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)CCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000912292032 859565927 /nfs/dbraw/zinc/56/59/27/859565927.db2.gz HGIANURQPBPOJK-GOSISDBHSA-N 1 0 374.529 1.806 20 10 FDCDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000916570672 881759527 /nfs/dbraw/zinc/75/95/27/881759527.db2.gz MQZVMMDTCLFONF-LBPRGKRZSA-N 1 0 352.390 1.761 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](COC)C3=O)cc2F)CC1 ZINC000761277489 864770965 /nfs/dbraw/zinc/77/09/65/864770965.db2.gz ISDYQBVXDFACFA-HNNXBMFYSA-N 1 0 364.421 1.034 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NCCN3CCOC(C)(C)C3)ccc21 ZINC000171211419 865145154 /nfs/dbraw/zinc/14/51/54/865145154.db2.gz MNRTWUBHUWROIR-UHFFFAOYSA-N 1 0 360.502 1.979 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000785422057 868912825 /nfs/dbraw/zinc/91/28/25/868912825.db2.gz GSHQWPGCZRZVNC-UHFFFAOYSA-N 1 0 367.453 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ZINC000918840261 884954678 /nfs/dbraw/zinc/95/46/78/884954678.db2.gz YPHGFFCYSYJBGT-HXUWFJFHSA-N 1 0 353.466 1.831 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NC1CC[NH+](C)CC1 ZINC000920308255 886853403 /nfs/dbraw/zinc/85/34/03/886853403.db2.gz VBBYRDNSVRVSBN-UHFFFAOYSA-N 1 0 362.543 1.924 20 10 FDCDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000076056098 892707527 /nfs/dbraw/zinc/70/75/27/892707527.db2.gz GYTTYYJFYTVPAV-LJQANCHMSA-N 1 0 374.529 1.760 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000671171075 898281338 /nfs/dbraw/zinc/28/13/38/898281338.db2.gz LCKFXEILKVUDMU-HNNXBMFYSA-N 1 0 370.497 1.951 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765417916 907031255 /nfs/dbraw/zinc/03/12/55/907031255.db2.gz YGGIVWHRGITNFI-OAHLLOKOSA-N 1 0 364.465 1.087 20 10 FDCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)COCC2 ZINC000921551943 907993543 /nfs/dbraw/zinc/99/35/43/907993543.db2.gz IISKRCBIAUQELZ-UHFFFAOYSA-N 1 0 360.433 1.758 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C)cc1C ZINC001082652621 909362566 /nfs/dbraw/zinc/36/25/66/909362566.db2.gz KIIVFHHFZNHNKJ-GDBMZVCRSA-N 1 0 370.453 1.348 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=S)N[C@@H](C)COC)cc2F)CC1 ZINC000730156709 916216186 /nfs/dbraw/zinc/21/61/86/916216186.db2.gz KWEVUNMBIGPORO-AWEZNQCLSA-N 1 0 368.522 1.967 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000733809507 922041315 /nfs/dbraw/zinc/04/13/15/922041315.db2.gz SJSRVZSLOQSUNG-UHFFFAOYSA-N 1 0 373.394 1.597 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000734657306 923572898 /nfs/dbraw/zinc/57/28/98/923572898.db2.gz ZECSCZQAXFWAKL-UHFFFAOYSA-N 1 0 361.534 1.886 20 10 FDCDRO O=C1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1CCOc1ccccc1 ZINC000742373165 926041554 /nfs/dbraw/zinc/04/15/54/926041554.db2.gz QQMKTDMCQVRWSP-OAHLLOKOSA-N 1 0 370.405 1.890 20 10 FDCDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000746316947 927819964 /nfs/dbraw/zinc/81/99/64/927819964.db2.gz GCAAMFCGFSIOQO-LJQANCHMSA-N 1 0 371.456 1.973 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CCN3CCCS3(=O)=O)CC2)cc1 ZINC000746449817 928030500 /nfs/dbraw/zinc/03/05/00/928030500.db2.gz HYNCWUFMVPYVIE-UHFFFAOYSA-N 1 0 353.488 1.243 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)[C@H]3C)CC2)cc1 ZINC000771459319 930664709 /nfs/dbraw/zinc/66/47/09/930664709.db2.gz IXYXWGRZMNEJFH-DLBZAZTESA-N 1 0 360.502 1.368 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000785517704 931430793 /nfs/dbraw/zinc/43/07/93/931430793.db2.gz OLUFXRGGTIKVTR-INIZCTEOSA-N 1 0 360.502 1.922 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787471697 932302173 /nfs/dbraw/zinc/30/21/73/932302173.db2.gz VBCOTAWJALICLW-UHFFFAOYSA-N 1 0 371.441 1.453 20 10 FDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000787750826 932386196 /nfs/dbraw/zinc/38/61/96/932386196.db2.gz IJERYIIEPTWDNP-CVEARBPZSA-N 1 0 360.502 1.920 20 10 FDCDRO COC(=O)c1cc[nH]c(=O)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788866691 932844262 /nfs/dbraw/zinc/84/42/62/932844262.db2.gz GQNBRTBXVCRWJO-UHFFFAOYSA-N 1 0 356.426 1.938 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000788929623 932864216 /nfs/dbraw/zinc/86/42/16/932864216.db2.gz WZWJVFYREOOUNF-IBGZPJMESA-N 1 0 372.513 1.846 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000788912440 932876005 /nfs/dbraw/zinc/87/60/05/932876005.db2.gz TVEVAARDTQDEQI-GOSISDBHSA-N 1 0 370.497 1.504 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000793815999 934291263 /nfs/dbraw/zinc/29/12/63/934291263.db2.gz WYUZSPVXYOWNSG-UHFFFAOYSA-N 1 0 361.486 1.979 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000804430121 938431595 /nfs/dbraw/zinc/43/15/95/938431595.db2.gz VEXSROWZLOFVMT-OAHLLOKOSA-N 1 0 360.502 1.700 20 10 FDCDRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805152632 938681666 /nfs/dbraw/zinc/68/16/66/938681666.db2.gz GHBCHIJEJVMZNU-UHFFFAOYSA-N 1 0 374.279 1.922 20 10 FDCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806276471 939876859 /nfs/dbraw/zinc/87/68/59/939876859.db2.gz FGJXGHRSPQGBKL-ZDUSSCGKSA-N 1 0 370.544 1.590 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000806504752 939947283 /nfs/dbraw/zinc/94/72/83/939947283.db2.gz PXGGHOOGYREYPJ-LESCRADOSA-N 1 0 360.502 1.919 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000807095925 940247567 /nfs/dbraw/zinc/24/75/67/940247567.db2.gz CICDMEKMWWYSRI-UHFFFAOYSA-N 1 0 372.513 1.764 20 10 FDCDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673333 940451327 /nfs/dbraw/zinc/45/13/27/940451327.db2.gz QUEKFPFNFWATRO-MRXNPFEDSA-N 1 0 362.518 1.976 20 10 FDCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807677429 940453563 /nfs/dbraw/zinc/45/35/63/940453563.db2.gz ORYXWCDAIJRCTE-DOTOQJQBSA-N 1 0 360.502 1.919 20 10 FDCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000747815432 941267641 /nfs/dbraw/zinc/26/76/41/941267641.db2.gz HWAXTFGRBVWMFB-OXJNMPFZSA-N 1 0 373.497 1.954 20 10 FDCDRO CNC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000815911543 942001149 /nfs/dbraw/zinc/00/11/49/942001149.db2.gz FHHPHVSHBFZESI-UHFFFAOYSA-N 1 0 373.501 1.154 20 10 FDCDRO CCn1ncc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000815911481 942001172 /nfs/dbraw/zinc/00/11/72/942001172.db2.gz CPBLHEXNTCMEFM-UHFFFAOYSA-N 1 0 368.485 1.760 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C)C[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000817291808 942662179 /nfs/dbraw/zinc/66/21/79/942662179.db2.gz QSYYASNCHWWYJV-SFHVURJKSA-N 1 0 360.502 1.370 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)cc1F ZINC000817811044 942965637 /nfs/dbraw/zinc/96/56/37/942965637.db2.gz DHYZSQWSPBNDON-UHFFFAOYSA-N 1 0 364.465 1.499 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000817825338 943030158 /nfs/dbraw/zinc/03/01/58/943030158.db2.gz YVTBKYWJVBBUIK-CYBMUJFWSA-N 1 0 370.544 1.683 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000817919129 943078129 /nfs/dbraw/zinc/07/81/29/943078129.db2.gz QCACBXOETLNLFW-HXUWFJFHSA-N 1 0 358.486 1.313 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000817920185 943078701 /nfs/dbraw/zinc/07/87/01/943078701.db2.gz CZIMSSGJGQOOAJ-QFBILLFUSA-N 1 0 372.513 1.831 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817920284 943078736 /nfs/dbraw/zinc/07/87/36/943078736.db2.gz HEGIPYCBDJINDU-UHFFFAOYSA-N 1 0 372.513 1.833 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000817926307 943083155 /nfs/dbraw/zinc/08/31/55/943083155.db2.gz FFPFFVASEVDZJQ-MRXNPFEDSA-N 1 0 358.486 1.441 20 10 FDCDRO CC[C@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@@H]1[NH3+] ZINC000817926334 943083450 /nfs/dbraw/zinc/08/34/50/943083450.db2.gz FQOICZGPNBMXLZ-LPHOPBHVSA-N 1 0 372.513 1.829 20 10 FDCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000817943836 943089918 /nfs/dbraw/zinc/08/99/18/943089918.db2.gz VVARFSHVWDMLCW-SCLBCKFNSA-N 1 0 362.499 1.751 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818361657 943243260 /nfs/dbraw/zinc/24/32/60/943243260.db2.gz MIHHZBFQUANNGV-MLGOLLRUSA-N 1 0 365.861 1.975 20 10 FDCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818361660 943243649 /nfs/dbraw/zinc/24/36/49/943243649.db2.gz MIHHZBFQUANNGV-WBMJQRKESA-N 1 0 365.861 1.975 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818613615 943303470 /nfs/dbraw/zinc/30/34/70/943303470.db2.gz VNKJIZCLUCPIBX-BBRMVZONSA-N 1 0 353.413 1.883 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818965707 943346083 /nfs/dbraw/zinc/34/60/83/943346083.db2.gz DFDWFHWRVAJBMA-GOEBONIOSA-N 1 0 356.438 1.164 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)CSC)CC2)cc1 ZINC000818942503 943354149 /nfs/dbraw/zinc/35/41/49/943354149.db2.gz FGAATACCADPGJJ-KRWDZBQOSA-N 1 0 353.532 1.521 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNOCc3ccccc3)CC2)cc1 ZINC000818947861 943358044 /nfs/dbraw/zinc/35/80/44/943358044.db2.gz SYBIEMDQBNXCGK-HXUWFJFHSA-N 1 0 371.481 1.900 20 10 FDCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968261 943385654 /nfs/dbraw/zinc/38/56/54/943385654.db2.gz PCMXWXWYSSPHBT-IEBWSBKVSA-N 1 0 363.502 1.654 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](OC)C(C)C)CC2)cc1 ZINC000819128432 943452026 /nfs/dbraw/zinc/45/20/26/943452026.db2.gz UBQJFKUUNYPJEF-UYAOXDASSA-N 1 0 365.518 1.439 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000819210272 943488336 /nfs/dbraw/zinc/48/83/36/943488336.db2.gz BBWIJMNXOSCHOA-IEBWSBKVSA-N 1 0 363.502 1.337 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNOC/C=C/Cl)CC2)cc1 ZINC000819322554 943526512 /nfs/dbraw/zinc/52/65/12/943526512.db2.gz HNOSTKDCHBYFFL-BGGTUALNSA-N 1 0 355.866 1.452 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cnn(C)n3)cc2F)CC1 ZINC000823161509 945544155 /nfs/dbraw/zinc/54/41/55/945544155.db2.gz GDBJBISDXGYNEM-UHFFFAOYSA-N 1 0 374.464 1.345 20 10 FDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12COC2 ZINC000824489518 946469235 /nfs/dbraw/zinc/46/92/35/946469235.db2.gz LPEDZOMKXLVOKZ-SFHVURJKSA-N 1 0 360.454 1.535 20 10 FDCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001136986168 946967595 /nfs/dbraw/zinc/96/75/95/946967595.db2.gz HYRJWAULLVSJQM-FQEVSTJZSA-N 1 0 356.422 1.394 20 10 FDCDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844172537 947815598 /nfs/dbraw/zinc/81/55/98/947815598.db2.gz IXJGRLXCLUQMMH-OAHLLOKOSA-N 1 0 351.422 1.047 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844174087 947815784 /nfs/dbraw/zinc/81/57/84/947815784.db2.gz LANCIIJSOKGQIH-FOLVSLTJSA-N 1 0 369.387 1.624 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000844224987 947858431 /nfs/dbraw/zinc/85/84/31/947858431.db2.gz XHHRAAKOZOSPLI-GOSISDBHSA-N 1 0 370.501 1.091 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN(C)CC[NH+]1CCCCC1)cc2=O ZINC000844464761 948103438 /nfs/dbraw/zinc/10/34/38/948103438.db2.gz SCJDOUOWDUQICZ-UHFFFAOYSA-N 1 0 361.446 1.529 20 10 FDCDRO CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700928 971563013 /nfs/dbraw/zinc/56/30/13/971563013.db2.gz SLNSWLXKOVDENV-INIZCTEOSA-N 1 0 353.532 1.693 20 10 FDCDRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144507703 949732737 /nfs/dbraw/zinc/73/27/37/949732737.db2.gz AWATXUHEYDWABS-KZULUSFZSA-N 1 0 365.430 1.198 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(O)c1 ZINC001144510265 949790639 /nfs/dbraw/zinc/79/06/39/949790639.db2.gz VVHVSMSCAJRHRO-FRQCXROJSA-N 1 0 358.394 1.614 20 10 FDCDRO COCCOCCN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000846117160 950514547 /nfs/dbraw/zinc/51/45/47/950514547.db2.gz NSJJMSFLTPNYHE-UHFFFAOYSA-N 1 0 363.502 1.304 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000846341872 950960662 /nfs/dbraw/zinc/96/06/62/950960662.db2.gz FCPKNKJYOQNXRZ-OAHLLOKOSA-N 1 0 364.490 1.079 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(n3cnnn3)CCCCC2)cc1 ZINC000846663934 951430754 /nfs/dbraw/zinc/43/07/54/951430754.db2.gz SGJWDUDTJDSROF-MRXNPFEDSA-N 1 0 357.462 1.215 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846677115 951440019 /nfs/dbraw/zinc/44/00/19/951440019.db2.gz NEKKHTRZMARXAE-GFCCVEGCSA-N 1 0 354.834 1.937 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C)cc1C ZINC001093647945 958425562 /nfs/dbraw/zinc/42/55/62/958425562.db2.gz LEZVKHGOCIQCEQ-SUMDDJOVSA-N 1 0 362.470 1.603 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C)cc1C ZINC001093752569 958678052 /nfs/dbraw/zinc/67/80/52/958678052.db2.gz WJQJKMXXRGCABC-GDBMZVCRSA-N 1 0 357.458 1.630 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C)cc1C ZINC001094176005 959980946 /nfs/dbraw/zinc/98/09/46/959980946.db2.gz DSFMNASUIMFWOG-OIISXLGYSA-N 1 0 359.470 1.466 20 10 FDCDRO CS[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1[NH+](C)C ZINC000774536926 962483697 /nfs/dbraw/zinc/48/36/97/962483697.db2.gz PQBNISRTCJZMLP-GXTWGEPZSA-N 1 0 352.416 1.408 20 10 FDCDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001178156958 964119115 /nfs/dbraw/zinc/11/91/15/964119115.db2.gz NSBKXLJWNSFGQS-WBVHZDCISA-N 1 0 351.466 1.861 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000773741194 964202150 /nfs/dbraw/zinc/20/21/50/964202150.db2.gz HKHYKISLEPTUJC-CQSZACIVSA-N 1 0 370.453 1.606 20 10 FDCDRO [NH3+]CCN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C[C@@H](O)CO ZINC000852753789 967579492 /nfs/dbraw/zinc/57/94/92/967579492.db2.gz SBCJCUFVGBBTEV-GOSISDBHSA-N 1 0 371.441 1.654 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2Cn2ccnn2)cc1 ZINC000852792281 967611036 /nfs/dbraw/zinc/61/10/36/967611036.db2.gz UXDJEXRQWSQFRQ-IBGZPJMESA-N 1 0 364.453 1.822 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000775362157 967614153 /nfs/dbraw/zinc/61/41/53/967614153.db2.gz GPSDTPZQOZLFTL-CHWSQXEVSA-N 1 0 370.405 1.709 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)C2)cc1 ZINC000852844733 967651672 /nfs/dbraw/zinc/65/16/72/967651672.db2.gz ZHELTHOAVQPUMV-ASTRLGPVSA-N 1 0 373.497 1.923 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2F)C[C@H](C)O1 ZINC000852861065 967666386 /nfs/dbraw/zinc/66/63/86/967666386.db2.gz ZGVSMNHCSFUTBA-MBNYWOFBSA-N 1 0 364.421 1.159 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852870601 967676760 /nfs/dbraw/zinc/67/67/60/967676760.db2.gz GBFOLNNKQFCKSO-INIZCTEOSA-N 1 0 356.474 1.897 20 10 FDCDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370890 967696095 /nfs/dbraw/zinc/69/60/95/967696095.db2.gz XFZYBWOMVBVHDM-PRXAMGSTSA-N 1 0 352.431 1.755 20 10 FDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000775375165 967775755 /nfs/dbraw/zinc/77/57/55/967775755.db2.gz IHSXJJXBQOMBLE-GOEBONIOSA-N 1 0 367.515 1.301 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853086410 967820267 /nfs/dbraw/zinc/82/02/67/967820267.db2.gz KLNSAXRHYTWEEX-MRXNPFEDSA-N 1 0 359.426 1.410 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@H](C)c3nccn3C)CC2)cc1 ZINC000853124105 967846285 /nfs/dbraw/zinc/84/62/85/967846285.db2.gz CHHMRFQCVVVQNZ-AEFFLSMTSA-N 1 0 373.501 1.262 20 10 FDCDRO CCCC[N@H+](CCCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775560897 969427576 /nfs/dbraw/zinc/42/75/76/969427576.db2.gz LNICQXIVQWZZDW-UHFFFAOYSA-N 1 0 363.502 1.828 20 10 FDCDRO CCOC(=O)C1(NC(=O)c2ccc(O)c(O)c2Cl)CC[NH+](C)CC1 ZINC001193236878 969565414 /nfs/dbraw/zinc/56/54/14/969565414.db2.gz SFKHELVFKXXMFV-UHFFFAOYSA-N 1 0 356.806 1.509 20 10 FDCDRO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C ZINC000775834998 972956728 /nfs/dbraw/zinc/95/67/28/972956728.db2.gz XTYJEJKSKQLNCM-QWHCGFSZSA-N 1 0 360.458 1.922 20 10 FDCDRO O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000863557472 973014868 /nfs/dbraw/zinc/01/48/68/973014868.db2.gz NZRIDQAXCHNYAN-OAHLLOKOSA-N 1 0 355.429 1.348 20 10 FDCDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000863570682 973023179 /nfs/dbraw/zinc/02/31/79/973023179.db2.gz YNAFORLRSZFKPK-LBPRGKRZSA-N 1 0 351.406 1.680 20 10 FDCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)c2C)cc1 ZINC000863829446 973246025 /nfs/dbraw/zinc/24/60/25/973246025.db2.gz HFRSEQCGTPZSDD-KRWDZBQOSA-N 1 0 357.454 1.899 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cn[nH]c3)CC2)cc1 ZINC000863852628 973269050 /nfs/dbraw/zinc/26/90/50/973269050.db2.gz SHGFHHIODBGAGV-UHFFFAOYSA-N 1 0 371.485 1.679 20 10 FDCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794700488 973661278 /nfs/dbraw/zinc/66/12/78/973661278.db2.gz OQNSZLOEZLIIQU-INIZCTEOSA-N 1 0 365.426 1.610 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)cc1 ZINC000865116067 974109424 /nfs/dbraw/zinc/10/94/24/974109424.db2.gz RRDDKAWLIUWZPG-UHFFFAOYSA-N 1 0 371.485 1.852 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C)cn3)cc2F)CC1 ZINC000106702097 975380858 /nfs/dbraw/zinc/38/08/58/975380858.db2.gz WNAOHNSLWKARMW-UHFFFAOYSA-N 1 0 357.433 1.996 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000776312268 975460552 /nfs/dbraw/zinc/46/05/52/975460552.db2.gz YGAOFVABGQXQSE-CQSZACIVSA-N 1 0 367.877 1.686 20 10 FDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000866438932 975655956 /nfs/dbraw/zinc/65/59/56/975655956.db2.gz ALAHMMLANFIXJW-UTLUCORTSA-N 1 0 373.247 1.872 20 10 FDCDRO COc1c(F)cccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000866756872 975999400 /nfs/dbraw/zinc/99/94/00/975999400.db2.gz BMVNSXLGWKWDPY-HNNXBMFYSA-N 1 0 367.446 1.879 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)C1 ZINC000848410709 976721803 /nfs/dbraw/zinc/72/18/03/976721803.db2.gz IXJORTQZVLHVKI-HGHGUNKESA-N 1 0 370.497 1.394 20 10 FDCDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000849095662 977313623 /nfs/dbraw/zinc/31/36/23/977313623.db2.gz HYKPHDIGUZHVJF-ZDUSSCGKSA-N 1 0 350.438 1.532 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000868358135 977527752 /nfs/dbraw/zinc/52/77/52/977527752.db2.gz BWJGZCQGWJFSKD-IYBDPMFKSA-N 1 0 356.470 1.206 20 10 FDCDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565363 977760480 /nfs/dbraw/zinc/76/04/80/977760480.db2.gz TUBHZMIPOCCHAZ-HZPDHXFCSA-N 1 0 358.442 1.226 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000850091186 978149110 /nfs/dbraw/zinc/14/91/10/978149110.db2.gz ZWJATKHZMPSCAL-KFKAGJAMSA-N 1 0 361.486 1.604 20 10 FDCDRO COc1cc(C[NH2+]CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850119671 978174854 /nfs/dbraw/zinc/17/48/54/978174854.db2.gz QDNUHJJJFPQQAT-UHFFFAOYSA-N 1 0 356.488 1.823 20 10 FDCDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000776521663 978872271 /nfs/dbraw/zinc/87/22/71/978872271.db2.gz XEVYFZBYWNPEPR-LJQANCHMSA-N 1 0 350.459 1.706 20 10 FDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000851655584 978986271 /nfs/dbraw/zinc/98/62/71/978986271.db2.gz XEMBVZSOPKUDBS-LBPRGKRZSA-N 1 0 374.407 1.949 20 10 FDCDRO [NH3+]CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000851666350 978990096 /nfs/dbraw/zinc/99/00/96/978990096.db2.gz FTUKJNSZLAUORA-HNNXBMFYSA-N 1 0 356.417 1.429 20 10 FDCDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851682765 978996019 /nfs/dbraw/zinc/99/60/19/978996019.db2.gz XHYAKKUSULSXKC-KRWDZBQOSA-N 1 0 360.502 1.918 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000851685746 978997528 /nfs/dbraw/zinc/99/75/28/978997528.db2.gz FPPNPFYHEQBQSP-QAPCUYQASA-N 1 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980214314 /nfs/dbraw/zinc/21/43/14/980214314.db2.gz UHINCXPJDCWHMD-UHFFFAOYSA-N 1 0 374.510 1.595 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4ncnn43)cc2)CC1 ZINC000881851852 980214443 /nfs/dbraw/zinc/21/44/43/980214443.db2.gz BSUGOADWLAWPLW-UHFFFAOYSA-N 1 0 350.426 1.411 20 10 FDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000129621936 980603837 /nfs/dbraw/zinc/60/38/37/980603837.db2.gz DLDCLASYCQTMHO-INIZCTEOSA-N 1 0 364.465 1.755 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCC3(F)F)cc2)CC1 ZINC000882663505 980803965 /nfs/dbraw/zinc/80/39/65/980803965.db2.gz PEOSAACITPEVBE-HNNXBMFYSA-N 1 0 373.469 1.903 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3Cc4ccncc4C3)CC2)cc1 ZINC000857877086 981721215 /nfs/dbraw/zinc/72/12/15/981721215.db2.gz ATHJJIAGSICUDZ-FQEVSTJZSA-N 1 0 368.481 1.589 20 10 FDCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cccn1 ZINC000883180484 981999504 /nfs/dbraw/zinc/99/95/04/981999504.db2.gz DFALKKBQTPSWJS-KRWDZBQOSA-N 1 0 370.501 1.770 20 10 FDCDRO C[C@@H](O)C[N@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000131255394 982023591 /nfs/dbraw/zinc/02/35/91/982023591.db2.gz SOEUPGZSCGOLNE-ILXRZTDVSA-N 1 0 367.465 1.368 20 10 FDCDRO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858570190 982121722 /nfs/dbraw/zinc/12/17/22/982121722.db2.gz GKAFBWFQKIAKET-OAHLLOKOSA-N 1 0 366.531 1.818 20 10 FDCDRO CS[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883442455 982148551 /nfs/dbraw/zinc/14/85/51/982148551.db2.gz LRHRILCZJDLVRN-YOEHRIQHSA-N 1 0 366.531 1.350 20 10 FDCDRO C[C@H](Cc1cnn(C)c1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883730742 982422269 /nfs/dbraw/zinc/42/22/69/982422269.db2.gz YUCRJQIKTSRLNW-MRXNPFEDSA-N 1 0 370.501 1.602 20 10 FDCDRO CCc1ncc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000883731532 982423014 /nfs/dbraw/zinc/42/30/14/982423014.db2.gz SXZQNELSQCYRPU-UHFFFAOYSA-N 1 0 357.458 1.988 20 10 FDCDRO C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000861562757 983779217 /nfs/dbraw/zinc/77/92/17/983779217.db2.gz XMAMQEDCGGPKLZ-KCQAQPDRSA-N 1 0 350.438 1.600 20 10 FDCDRO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000861565939 983780458 /nfs/dbraw/zinc/78/04/58/983780458.db2.gz NSRNQIUDWNICSD-OAHLLOKOSA-N 1 0 362.474 1.391 20 10 FDCDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCOCC1 ZINC000861671110 983814455 /nfs/dbraw/zinc/81/44/55/983814455.db2.gz UHMDFHZLJFTQFH-MRXNPFEDSA-N 1 0 363.458 1.591 20 10 FDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861754901 983901809 /nfs/dbraw/zinc/90/18/09/983901809.db2.gz MNUDDTMNSCNPQX-SFHVURJKSA-N 1 0 356.470 1.135 20 10 FDCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[NH2+]1 ZINC000861805159 983930774 /nfs/dbraw/zinc/93/07/74/983930774.db2.gz XUSRMWWPTJJOHM-FUHWJXTLSA-N 1 0 372.513 1.892 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861805307 983931194 /nfs/dbraw/zinc/93/11/94/983931194.db2.gz BAQSCQZMZVCZHN-RDJZCZTQSA-N 1 0 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1.768 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000842147534 844975377 /nfs/dbraw/zinc/97/53/77/844975377.db2.gz GBKWNLRIJMREBI-LJQANCHMSA-N 1 0 362.449 1.110 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842170874 845208325 /nfs/dbraw/zinc/20/83/25/845208325.db2.gz MRINTCJJPBPGNI-CALCHBBNSA-N 1 0 354.454 1.032 20 10 FDCDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842232072 845749060 /nfs/dbraw/zinc/74/90/60/845749060.db2.gz DEPTYEPYCQIOIF-HNNXBMFYSA-N 1 0 371.437 1.630 20 10 FDCDRO CC(C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098001 845759965 /nfs/dbraw/zinc/75/99/65/845759965.db2.gz KDUUGZRWLGMBKD-PBHICJAKSA-N 1 0 363.506 1.568 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842228563 845765741 /nfs/dbraw/zinc/76/57/41/845765741.db2.gz AABROUALNJDXHA-IAGOWNOFSA-N 1 0 360.502 1.877 20 10 FDCDRO CC(C)[C@H](CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105803 845780280 /nfs/dbraw/zinc/78/02/80/845780280.db2.gz ZAIUORJNOWTTQK-WMZOPIPTSA-N 1 0 350.507 1.919 20 10 FDCDRO COC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100810 845797549 /nfs/dbraw/zinc/79/75/49/845797549.db2.gz DYWBKXLEMWCETF-SJLPKXTDSA-N 1 0 352.479 1.052 20 10 FDCDRO COC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100614 845797732 /nfs/dbraw/zinc/79/77/32/845797732.db2.gz AYTQPBMVDCFSLT-SJORKVTESA-N 1 0 352.479 1.052 20 10 FDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842243582 845925613 /nfs/dbraw/zinc/92/56/13/845925613.db2.gz DEYVEBZEKQBAIT-INIZCTEOSA-N 1 0 360.502 1.733 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=S)NC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000899724266 846625854 /nfs/dbraw/zinc/62/58/54/846625854.db2.gz LLOQNEADXWQNKH-WMLDXEAASA-N 1 0 350.532 1.856 20 10 FDCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC1(O)CCCC1 ZINC000905283583 851815810 /nfs/dbraw/zinc/81/58/10/851815810.db2.gz GVKVNOLWKNMOEA-HNNXBMFYSA-N 1 0 370.440 1.947 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cncc(O)c3)CC2)cc1 ZINC000905630859 852101229 /nfs/dbraw/zinc/10/12/29/852101229.db2.gz MDBYJBZEQPEYON-IBGZPJMESA-N 1 0 372.469 1.069 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905915687 852405586 /nfs/dbraw/zinc/40/55/86/852405586.db2.gz VDRKRYUKUUQQBR-HKUYNNGSSA-N 1 0 350.459 1.110 20 10 FDCDRO C[C@@H]1COCC[C@H]1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908459374 855443836 /nfs/dbraw/zinc/44/38/36/855443836.db2.gz GUMCULCOYPUVMK-ZTFGCOKTSA-N 1 0 369.531 1.700 20 10 FDCDRO COCC[C@@H](C)S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460179 855445296 /nfs/dbraw/zinc/44/52/96/855445296.db2.gz NVVCSJYUJJOLRN-RHSMWYFYSA-N 1 0 357.520 1.700 20 10 FDCDRO CCn1nccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460676 855446627 /nfs/dbraw/zinc/44/66/27/855446627.db2.gz XFEDVCZAXSWJFB-INIZCTEOSA-N 1 0 365.503 1.550 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911056859 858056991 /nfs/dbraw/zinc/05/69/91/858056991.db2.gz YUULZJZFZRJVOV-LBPRGKRZSA-N 1 0 356.517 1.390 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)C2)cc1 ZINC000911276838 858395900 /nfs/dbraw/zinc/39/59/00/858395900.db2.gz OLISTUKOPKIBGX-INIZCTEOSA-N 1 0 360.502 1.131 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520259 858734029 /nfs/dbraw/zinc/73/40/29/858734029.db2.gz HBLDLIWGVMFCDO-GOSISDBHSA-N 1 0 372.513 1.750 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000032764277 881457049 /nfs/dbraw/zinc/45/70/49/881457049.db2.gz KKWGDJFPJCWWSS-UHFFFAOYSA-N 1 0 357.458 1.371 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)C[C@@H]2CO)c1 ZINC000912751276 860155262 /nfs/dbraw/zinc/15/52/62/860155262.db2.gz BSYVLAGMRDJRCZ-LJQANCHMSA-N 1 0 355.438 1.655 20 10 FDCDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000701096356 882934780 /nfs/dbraw/zinc/93/47/80/882934780.db2.gz 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C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC000804732650 938556836 /nfs/dbraw/zinc/55/68/36/938556836.db2.gz WOCIJWWSLJVJLO-RHSMWYFYSA-N 1 0 358.486 1.530 20 10 FDCDRO O=C(NCc1cc(Br)ccc1O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000804735865 938559303 /nfs/dbraw/zinc/55/93/03/938559303.db2.gz KGLHRHRAGXAGGJ-ZDUSSCGKSA-N 1 0 354.248 1.161 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@@H+]1C1CC1 ZINC000806279907 939878157 /nfs/dbraw/zinc/87/81/57/939878157.db2.gz DRJKGFMUPWLHJH-RYUDHWBXSA-N 1 0 368.528 1.483 20 10 FDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806281410 939880343 /nfs/dbraw/zinc/88/03/43/939880343.db2.gz XNQLTAPKPUWKRB-QWHCGFSZSA-N 1 0 370.544 1.731 20 10 FDCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282098 939880365 /nfs/dbraw/zinc/88/03/65/939880365.db2.gz GYOIBGJOQAIRES-ZDUSSCGKSA-N 1 0 370.544 1.731 20 10 FDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000806329960 939901040 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CN(C)c1ccc(CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C2CC2)cc1 ZINC000817926326 943083189 /nfs/dbraw/zinc/08/31/89/943083189.db2.gz FQCYMSVGGZVYTE-LPHOPBHVSA-N 1 0 370.497 1.454 20 10 FDCDRO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817971516 943109208 /nfs/dbraw/zinc/10/92/08/943109208.db2.gz DRYUHMLIFIAHON-HZMBPMFUSA-N 1 0 362.352 1.787 20 10 FDCDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000818646249 943316333 /nfs/dbraw/zinc/31/63/33/943316333.db2.gz JYBKWDJLXJRRCI-HZPDHXFCSA-N 1 0 350.438 1.731 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000818656277 943319300 /nfs/dbraw/zinc/31/93/00/943319300.db2.gz WOOVGSDESUXDQD-CRAIPNDOSA-N 1 0 362.474 1.281 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC000819060981 943400048 /nfs/dbraw/zinc/40/00/48/943400048.db2.gz MXFAOPJVXCATIF-HXUWFJFHSA-N 1 0 371.481 1.674 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCn3cccc3)CC2)cc1 ZINC000819119141 943447776 /nfs/dbraw/zinc/44/77/76/943447776.db2.gz QWPNLHVIGLLEAM-LJQANCHMSA-N 1 0 358.486 1.269 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000819246163 943481547 /nfs/dbraw/zinc/48/15/47/943481547.db2.gz DJVGOQHVOILVTD-AZUAARDMSA-N 1 0 361.486 1.460 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCC(C)(F)F)CC2)cc1 ZINC000819335831 943531796 /nfs/dbraw/zinc/53/17/96/943531796.db2.gz CAQDECOOQAHSER-MRXNPFEDSA-N 1 0 357.445 1.813 20 10 FDCDRO COCC(C)(C)[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000823457361 945753526 /nfs/dbraw/zinc/75/35/26/945753526.db2.gz XVFPFNZHLKXQID-UHFFFAOYSA-N 1 0 362.518 1.411 20 10 FDCDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000823519869 945826805 /nfs/dbraw/zinc/82/68/05/945826805.db2.gz PUPNREXLCXROBT-FXAWDEMLSA-N 1 0 372.513 1.883 20 10 FDCDRO O=c1ccc(Br)cn1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824544306 946554493 /nfs/dbraw/zinc/55/44/93/946554493.db2.gz UZFUGULSGQJIDV-UHFFFAOYSA-N 1 0 367.199 1.835 20 10 FDCDRO OCC[N@H+](CCN1CCOCC1)Cc1ccc(Br)cc1O ZINC000824600714 946583084 /nfs/dbraw/zinc/58/30/84/946583084.db2.gz BRKYYHAYGBSGIO-UHFFFAOYSA-N 1 0 359.264 1.281 20 10 FDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000824582916 946601932 /nfs/dbraw/zinc/60/19/32/946601932.db2.gz DOLFQAHDQVBZQK-QGZVFWFLSA-N 1 0 351.466 1.599 20 10 FDCDRO COc1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147628 946995437 /nfs/dbraw/zinc/99/54/37/946995437.db2.gz JAHBUTSUJUSATM-HNNXBMFYSA-N 1 0 367.877 1.841 20 10 FDCDRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844172536 947815354 /nfs/dbraw/zinc/81/53/54/947815354.db2.gz IXJGRLXCLUQMMH-HNNXBMFYSA-N 1 0 351.422 1.047 20 10 FDCDRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844398866 948028074 /nfs/dbraw/zinc/02/80/74/948028074.db2.gz DHWSPDKNUZWTOL-KRWDZBQOSA-N 1 0 362.518 1.616 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](O)CC(C)C)CC2)cc1 ZINC001144181961 948337056 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1.317 20 10 FDCDRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846344475 950967614 /nfs/dbraw/zinc/96/76/14/950967614.db2.gz QKJVZAUEWYLXTA-OAHLLOKOSA-N 1 0 368.481 1.966 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000846697759 951467279 /nfs/dbraw/zinc/46/72/79/951467279.db2.gz VUWBHLGPRMNTSM-HNNXBMFYSA-N 1 0 372.473 1.247 20 10 FDCDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cccc(O)c1O)C2 ZINC001148214495 952649435 /nfs/dbraw/zinc/64/94/35/952649435.db2.gz URYUJJPHYDZSHC-FOIQADDNSA-N 1 0 360.454 1.918 20 10 FDCDRO COc1cc(N(C(=O)c2cc(O)c(O)c(O)c2)C2CC[NH2+]CC2)ccn1 ZINC001148588560 952760636 /nfs/dbraw/zinc/76/06/36/952760636.db2.gz UDPLKMYVWVPMGD-UHFFFAOYSA-N 1 0 359.382 1.606 20 10 FDCDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001172661073 961727768 /nfs/dbraw/zinc/72/77/68/961727768.db2.gz LSLONMKMIPNUTL-QFBILLFUSA-N 1 0 356.422 1.912 20 10 FDCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1F ZINC001177718715 963947684 /nfs/dbraw/zinc/94/76/84/963947684.db2.gz IOJCFFWJKNDJDY-UHFFFAOYSA-N 1 0 350.482 1.926 20 10 FDCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179684678 964943200 /nfs/dbraw/zinc/94/32/00/964943200.db2.gz YRBAOBYNVFIZKX-DRDHIDPGSA-N 1 0 356.426 1.528 20 10 FDCDRO Cn1cc(-c2nnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)o2)cn1 ZINC000775172225 966353758 /nfs/dbraw/zinc/35/37/58/966353758.db2.gz LYQHKMVPGVDAPM-UHFFFAOYSA-N 1 0 353.430 1.834 20 10 FDCDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775253659 966989062 /nfs/dbraw/zinc/98/90/62/966989062.db2.gz AQCGHAGHFZUWKN-ZACQAIPSSA-N 1 0 361.486 1.810 20 10 FDCDRO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000775254651 966992063 /nfs/dbraw/zinc/99/20/63/966992063.db2.gz MDGKKZWLZVHYCD-AWEZNQCLSA-N 1 0 353.426 1.710 20 10 FDCDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(N2CCOCC2)cc1 ZINC000775254092 966994347 /nfs/dbraw/zinc/99/43/47/966994347.db2.gz GIOBAOCJDMPLKN-OAHLLOKOSA-N 1 0 372.425 1.944 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@](O)(C(N)=O)c2ccccc2)cc1 ZINC000852211741 967103710 /nfs/dbraw/zinc/10/37/10/967103710.db2.gz PNFXBCNLDHJKJF-FQEVSTJZSA-N 1 0 357.454 1.436 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@](O)(C3CC3)C1)cc2=O ZINC000852503170 967380654 /nfs/dbraw/zinc/38/06/54/967380654.db2.gz RKLBEMXPTKFIKO-SFHVURJKSA-N 1 0 360.414 1.349 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)C2)cc1 ZINC000852843900 967650177 /nfs/dbraw/zinc/65/01/77/967650177.db2.gz JLUFVAWDCTUZIS-UYTSQGDYSA-N 1 0 357.454 1.205 20 10 FDCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852870298 967676866 /nfs/dbraw/zinc/67/68/66/967676866.db2.gz RLPMQQSDJVTOCC-MAZHCROVSA-N 1 0 369.412 1.737 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000852889268 967692210 /nfs/dbraw/zinc/69/22/10/967692210.db2.gz GQJOETYCCMPUGL-SFHVURJKSA-N 1 0 358.486 1.359 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000775371394 967713884 /nfs/dbraw/zinc/71/38/84/967713884.db2.gz XLXSPOVJSIEWEA-CYBMUJFWSA-N 1 0 350.415 1.417 20 10 FDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000855402778 970336427 /nfs/dbraw/zinc/33/64/27/970336427.db2.gz HNLCLHVGXZFCKR-POZKEBTKSA-N 1 0 368.433 1.994 20 10 FDCDRO O[C@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)C[NH+]1CCCC1 ZINC000863550713 973006429 /nfs/dbraw/zinc/00/64/29/973006429.db2.gz DMIYQKBRMGCZAP-QGZVFWFLSA-N 1 0 351.466 1.333 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000863570099 973021944 /nfs/dbraw/zinc/02/19/44/973021944.db2.gz RXTUDINYYRSIHH-SOAMZJECSA-N 1 0 359.514 1.956 20 10 FDCDRO C[NH+]1CCC(n2cc(N3C(=O)CN(Cc4ccccc4O)C3=O)cn2)CC1 ZINC000864572493 973648138 /nfs/dbraw/zinc/64/81/38/973648138.db2.gz PWMSBMQZSKQCBI-UHFFFAOYSA-N 1 0 369.425 1.824 20 10 FDCDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000864917913 973946320 /nfs/dbraw/zinc/94/63/20/973946320.db2.gz BXBRIARTBRTUJQ-UHFFFAOYSA-N 1 0 373.526 1.928 20 10 FDCDRO COCCN1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001199769659 974496142 /nfs/dbraw/zinc/49/61/42/974496142.db2.gz QIOGZNUKBQXWGZ-UHFFFAOYSA-N 1 0 364.509 1.778 20 10 FDCDRO C[NH+]1CCN(c2cc(N(c3ccc(N)cc3)S(C)(=O)=O)ccn2)CC1 ZINC001201667441 975102587 /nfs/dbraw/zinc/10/25/87/975102587.db2.gz RISJZGPJHUCEHN-UHFFFAOYSA-N 1 0 361.471 1.513 20 10 FDCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000847355577 975522037 /nfs/dbraw/zinc/52/20/37/975522037.db2.gz BNEDNAYYMQJTRA-UHFFFAOYSA-N 1 0 373.526 1.928 20 10 FDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000866709968 975940394 /nfs/dbraw/zinc/94/03/94/975940394.db2.gz UTAPRDYGPDXIEV-IMJJTQAJSA-N 1 0 363.389 1.101 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3conc3C(C)(C)[NH3+])CC2)cc1F ZINC000848413966 976723136 /nfs/dbraw/zinc/72/31/36/976723136.db2.gz GDTKKQDXVBAGDK-UHFFFAOYSA-N 1 0 362.405 1.979 20 10 FDCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848566592 976904323 /nfs/dbraw/zinc/90/43/23/976904323.db2.gz BUWCMOZBKUZTPV-LLVKDONJSA-N 1 0 367.247 1.939 20 10 FDCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000848930467 977243763 /nfs/dbraw/zinc/24/37/63/977243763.db2.gz RVNCGMWZVDRIJB-OAHLLOKOSA-N 1 0 365.430 1.996 20 10 FDCDRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC000849094130 977311566 /nfs/dbraw/zinc/31/15/66/977311566.db2.gz CPQWQVONPYPPPT-GDBMZVCRSA-N 1 0 359.474 1.133 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cnc(C(C)C)n3)CC2)cc1 ZINC000849325720 977428579 /nfs/dbraw/zinc/42/85/79/977428579.db2.gz QKJDBUWBDQIMHY-QGZVFWFLSA-N 1 0 359.474 1.593 20 10 FDCDRO C[C@H](NC(=O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868309919 977488229 /nfs/dbraw/zinc/48/82/29/977488229.db2.gz NGZHYOJWXLFGMR-SCLBCKFNSA-N 1 0 369.421 1.869 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850059972 978133852 /nfs/dbraw/zinc/13/38/52/978133852.db2.gz PGYISQWRYJTGJY-OXXUSNJHSA-N 1 0 359.470 1.676 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@]3(OCCO)CCOC3)CC2)cc1 ZINC000850358306 978334602 /nfs/dbraw/zinc/33/46/02/978334602.db2.gz NICWWLPYTYWYHP-LJQANCHMSA-N 1 0 350.459 1.422 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000850755964 978662072 /nfs/dbraw/zinc/66/20/72/978662072.db2.gz MVVLTFZPJKGANM-RISCZKNCSA-N 1 0 360.380 1.853 20 10 FDCDRO O=C(NCc1ccccc1O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850806399 978678480 /nfs/dbraw/zinc/67/84/80/978678480.db2.gz VFSPWFWPURSRQZ-KRWDZBQOSA-N 1 0 355.394 1.308 20 10 FDCDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000776498602 978713293 /nfs/dbraw/zinc/71/32/93/978713293.db2.gz OXFURHJCPTZSGF-RHSMWYFYSA-N 1 0 355.456 1.617 20 10 FDCDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000851680132 978994910 /nfs/dbraw/zinc/99/49/10/978994910.db2.gz GYMMMEAYAPJRDB-CYBMUJFWSA-N 1 0 366.462 1.152 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000851681303 978995223 /nfs/dbraw/zinc/99/52/23/978995223.db2.gz NPMCIDLBQGPZSX-NRFANRHFSA-N 1 0 372.513 1.933 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)cc1 ZINC000881083492 979644074 /nfs/dbraw/zinc/64/40/74/979644074.db2.gz CWJXAWQFGJXVAE-HKUYNNGSSA-N 1 0 372.473 1.182 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)c3cccs3)cc2)CC1 ZINC000881848861 980209197 /nfs/dbraw/zinc/20/91/97/980209197.db2.gz BTYFMXQFRTWIDK-UHFFFAOYSA-N 1 0 372.494 1.546 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOC3CCOCC3)cc2)CC1 ZINC000881850831 980211804 /nfs/dbraw/zinc/21/18/04/980211804.db2.gz HMPFAFOCBIGBNH-UHFFFAOYSA-N 1 0 361.486 1.640 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)CC(C)(C)C)cc2)CC1 ZINC000881851183 980212775 /nfs/dbraw/zinc/21/27/75/980212775.db2.gz FLDOBVZDYBNXEP-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO CC[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N1CCCC1=O ZINC000881851359 980213551 /nfs/dbraw/zinc/21/35/51/980213551.db2.gz SKPPFMLMQAPESH-GOSISDBHSA-N 1 0 358.486 1.456 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(N)=O)s3)cc2)CC1 ZINC000881851757 980214483 /nfs/dbraw/zinc/21/44/83/980214483.db2.gz QBMGSTZMLKQZGU-UHFFFAOYSA-N 1 0 358.467 1.529 20 10 FDCDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853735 980218419 /nfs/dbraw/zinc/21/84/19/980218419.db2.gz IREBLEGUCXISQB-UHFFFAOYSA-N 1 0 372.429 1.493 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncc4n3CCCC4)cc2)CC1 ZINC000881855608 980221289 /nfs/dbraw/zinc/22/12/89/980221289.db2.gz YHKQEMXPEYGBTM-UHFFFAOYSA-N 1 0 353.470 1.901 20 10 FDCDRO Cc1ccn(C[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881855614 980221688 /nfs/dbraw/zinc/22/16/88/980221688.db2.gz YNLVYLWVGQLFOU-INIZCTEOSA-N 1 0 355.486 1.896 20 10 FDCDRO COCCn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000881855662 980222541 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CC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H](C)OC ZINC000291215323 1000175643 /nfs/dbraw/zinc/17/56/43/1000175643.db2.gz LBUSXEIWIGQJJG-HNNXBMFYSA-N 1 0 367.465 1.635 20 10 FDCDRO C[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000076549256 1002520502 /nfs/dbraw/zinc/52/05/02/1002520502.db2.gz LUWVFPPFQNQWRM-UHFFFAOYSA-N 1 0 367.453 1.465 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC(OC)CC3)CC2)cc1 ZINC000779213846 1002706225 /nfs/dbraw/zinc/70/62/25/1002706225.db2.gz MGLXKUIRMXLSRM-SFHVURJKSA-N 1 0 363.502 1.289 20 10 FDCDRO COCCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000779221479 1002739715 /nfs/dbraw/zinc/73/97/15/1002739715.db2.gz HNLPXLHYQHWQRD-SFHVURJKSA-N 1 0 351.491 1.146 20 10 FDCDRO CC(C)=CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000930330801 1003027540 /nfs/dbraw/zinc/02/75/40/1003027540.db2.gz OGCLUAADNGEPLY-SFHVURJKSA-N 1 0 360.502 1.944 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccn(C)c(=O)c2)[NH+](C)C)cc1 ZINC000931636688 1004345303 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353.470 1.801 20 10 FDCDRO CN(C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)S(C)(=O)=O ZINC000795651657 1007336847 /nfs/dbraw/zinc/33/68/47/1007336847.db2.gz IMKSTDYEDFVWOM-LBPRGKRZSA-N 1 0 356.444 1.224 20 10 FDCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779406048 1008990227 /nfs/dbraw/zinc/99/02/27/1008990227.db2.gz SWOKIBODGAGLPW-INIZCTEOSA-N 1 0 362.499 1.686 20 10 FDCDRO Cc1nc([C@H]2COCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000779614347 1010390895 /nfs/dbraw/zinc/39/08/95/1010390895.db2.gz ZZUWUXBKKQYQHY-GOSISDBHSA-N 1 0 357.458 1.703 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000554644225 543843973 /nfs/dbraw/zinc/84/39/73/543843973.db2.gz ZPICIKTZPUWUHL-ZFWWWQNUSA-N 1 0 368.481 1.844 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000055166072 523758395 /nfs/dbraw/zinc/75/83/95/523758395.db2.gz XRHMJMWEMZVSPR-UHFFFAOYSA-N 1 0 353.444 1.120 20 10 FDCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 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374.464 1.701 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000119689964 525830490 /nfs/dbraw/zinc/83/04/90/525830490.db2.gz QOWRAKSXVPYJHV-LBPRGKRZSA-N 1 0 350.440 1.942 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccncc3)CC2)cc1 ZINC000181824032 525946386 /nfs/dbraw/zinc/94/63/86/525946386.db2.gz GADGEKMMVIWOAQ-UHFFFAOYSA-N 1 0 368.481 1.961 20 10 FDCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[NH2+]CCO1 ZINC000188248031 536287140 /nfs/dbraw/zinc/28/71/40/536287140.db2.gz OFKPLHBYFUNSPI-IUODEOHRSA-N 1 0 355.385 1.361 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC000246829552 537035497 /nfs/dbraw/zinc/03/54/97/537035497.db2.gz SMAZZJHVEDVKII-PXNSSMCTSA-N 1 0 373.497 1.845 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000263701849 537071671 /nfs/dbraw/zinc/07/16/71/537071671.db2.gz SKJSNEUGLCAJNG-UHFFFAOYSA-N 1 0 374.529 1.509 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3[C@H](C)CC(O)C[C@@H]3C)CC2)cc1 ZINC000191171550 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1.286 20 10 FDCDRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000283337296 537371684 /nfs/dbraw/zinc/37/16/84/537371684.db2.gz GQWICGMRNIRTLY-UHFFFAOYSA-N 1 0 358.486 1.504 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000299099993 537444099 /nfs/dbraw/zinc/44/40/99/537444099.db2.gz RKPLFHDUXJWNDB-UHFFFAOYSA-N 1 0 367.471 1.368 20 10 FDCDRO COc1cc(N2CC[NH+](CCC3OCCCO3)CC2)cc(OC)c1OC ZINC000273548745 537466824 /nfs/dbraw/zinc/46/68/24/537466824.db2.gz BRLXEXBXKNRTHT-UHFFFAOYSA-N 1 0 366.458 1.988 20 10 FDCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000299259962 537519961 /nfs/dbraw/zinc/51/99/61/537519961.db2.gz FEVKKKCPUMMIPQ-STQMWFEESA-N 1 0 350.415 1.484 20 10 FDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000293757311 537583259 /nfs/dbraw/zinc/58/32/59/537583259.db2.gz XKSYVLCVPKWALT-AWEZNQCLSA-N 1 0 352.822 1.975 20 10 FDCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(Br)cc1O ZINC000289698410 537585118 /nfs/dbraw/zinc/58/51/18/537585118.db2.gz IMQFTQQUTVLZGT-JTQLQIEISA-N 1 0 355.236 1.979 20 10 FDCDRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1(C)C ZINC000281933864 537593200 /nfs/dbraw/zinc/59/32/00/537593200.db2.gz SSJLVIFAENWVNP-UHFFFAOYSA-N 1 0 371.529 1.888 20 10 FDCDRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000285016016 537601649 /nfs/dbraw/zinc/60/16/49/537601649.db2.gz UGNGJGJELHANJK-UHFFFAOYSA-N 1 0 372.513 1.674 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@H](C3CCC3)C1)cc2=O ZINC000292157420 537712371 /nfs/dbraw/zinc/71/23/71/537712371.db2.gz OEVIZYUNSVQXKV-CQSZACIVSA-N 1 0 374.441 1.860 20 10 FDCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1O ZINC000285520376 537725958 /nfs/dbraw/zinc/72/59/58/537725958.db2.gz OXGUTBXWKQBEOT-CQSZACIVSA-N 1 0 354.472 1.837 20 10 FDCDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000376810216 537913708 /nfs/dbraw/zinc/91/37/08/537913708.db2.gz GVJLSQAJHLTIFD-UHFFFAOYSA-N 1 0 367.471 1.464 20 10 FDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372404485 537939918 /nfs/dbraw/zinc/93/99/18/537939918.db2.gz MIPBCOBLLODLTN-QGZVFWFLSA-N 1 0 353.488 1.037 20 10 FDCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000365272837 568392359 /nfs/dbraw/zinc/39/23/59/568392359.db2.gz FSRCGHMIVWHSPS-PBHICJAKSA-N 1 0 363.458 1.701 20 10 FDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737105501 599490644 /nfs/dbraw/zinc/49/06/44/599490644.db2.gz IEQGFAMVHGBMQR-UHFFFAOYSA-N 1 0 351.370 1.518 20 10 FDCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276838125 674779726 /nfs/dbraw/zinc/77/97/26/674779726.db2.gz SDJBNNVYFSAWLW-UHFFFAOYSA-N 1 0 351.424 1.457 20 10 FDCDRO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000278231279 675108390 /nfs/dbraw/zinc/10/83/90/675108390.db2.gz KJRPMXSBUVVPPB-DOMZBBRYSA-N 1 0 357.401 1.737 20 10 FDCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000287307146 675914279 /nfs/dbraw/zinc/91/42/79/675914279.db2.gz TYZAPRHHGCTVJP-KGLIPLIRSA-N 1 0 352.454 1.488 20 10 FDCDRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000159920009 671996670 /nfs/dbraw/zinc/99/66/70/671996670.db2.gz KRILNCAOBAFHQB-OAHLLOKOSA-N 1 0 353.532 1.912 20 10 FDCDRO CC(C)CN1C(=O)C(=CNCCC[N@@H+]2CCCC[C@H]2C)C(=O)NC1=S ZINC000255371315 672616505 /nfs/dbraw/zinc/61/65/05/672616505.db2.gz JOCAWCJQEJJVFI-XDPMZMSMSA-N 1 0 366.531 1.624 20 10 FDCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280847463 675461871 /nfs/dbraw/zinc/46/18/71/675461871.db2.gz BHWORPMKWPAZTR-ZDUSSCGKSA-N 1 0 356.463 1.890 20 10 FDCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000284155186 675673060 /nfs/dbraw/zinc/67/30/60/675673060.db2.gz PSUQUXIZJYOCQE-CVEARBPZSA-N 1 0 352.500 1.999 20 10 FDCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)NC[C@@H]1CCCCO1 ZINC000296226047 676416847 /nfs/dbraw/zinc/41/68/47/676416847.db2.gz AKBJEHUGEXGEJO-GJZGRUSLSA-N 1 0 354.472 1.458 20 10 FDCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)NC[C@@H]1CCCCO1 ZINC000296229430 676417056 /nfs/dbraw/zinc/41/70/56/676417056.db2.gz AKBJEHUGEXGEJO-LSDHHAIUSA-N 1 0 354.472 1.458 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000365858030 677387128 /nfs/dbraw/zinc/38/71/28/677387128.db2.gz BHDQRQMGWRZQAC-GOSISDBHSA-N 1 0 362.543 1.492 20 10 FDCDRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637897899 695293084 /nfs/dbraw/zinc/29/30/84/695293084.db2.gz WFNOZUMKKLGLCP-HNNXBMFYSA-N 1 0 363.483 1.654 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cn(C)nn2)C1 ZINC000683452306 772004728 /nfs/dbraw/zinc/00/47/28/772004728.db2.gz UGPGFXDVRQLFRI-UHFFFAOYSA-N 1 0 366.469 1.853 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c(OC)c1 ZINC000892267662 783038080 /nfs/dbraw/zinc/03/80/80/783038080.db2.gz OJJOGWCUVAGQDH-SFHVURJKSA-N 1 0 374.485 1.678 20 10 FDCDRO COC(=O)c1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc2c1OCO2 ZINC001167374747 773981836 /nfs/dbraw/zinc/98/18/36/773981836.db2.gz VCJNYHOSLCMSDH-UHFFFAOYSA-N 1 0 370.405 1.936 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)[NH+](C)C)cc1 ZINC000891246682 774090194 /nfs/dbraw/zinc/09/01/94/774090194.db2.gz DYMVDGDRJWHSPR-KXBFYZLASA-N 1 0 355.486 2.000 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)[NH+](C)C)cc1 ZINC000891247062 774091133 /nfs/dbraw/zinc/09/11/33/774091133.db2.gz HAVGXEBIBAEAQQ-WBVHZDCISA-N 1 0 356.474 1.710 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)[NH+](C)C)cc1 ZINC000891247058 774091284 /nfs/dbraw/zinc/09/12/84/774091284.db2.gz HAVGXEBIBAEAQQ-NVXWUHKLSA-N 1 0 356.474 1.710 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3cncn3C2)[NH+](C)C)cc1 ZINC000891247083 774091424 /nfs/dbraw/zinc/09/14/24/774091424.db2.gz HEMUERWSRYLXFA-QFBILLFUSA-N 1 0 355.486 1.931 20 10 FDCDRO COc1ncc(/C=C\C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891248977 774113473 /nfs/dbraw/zinc/11/34/73/774113473.db2.gz OPOWLIBXPPPVCD-HJLMUGLJSA-N 1 0 369.469 1.984 20 10 FDCDRO CCOC(=O)NCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252060 774125337 /nfs/dbraw/zinc/12/53/37/774125337.db2.gz FLHPHIQVEDEDQB-INIZCTEOSA-N 1 0 350.463 1.608 20 10 FDCDRO COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1 ZINC000891251037 774128716 /nfs/dbraw/zinc/12/87/16/774128716.db2.gz CBNUWLYBRLJZEA-SFHVURJKSA-N 1 0 370.453 1.967 20 10 FDCDRO COc1ncnc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252418 774136089 /nfs/dbraw/zinc/13/60/89/774136089.db2.gz KUZJPFAXSDLVJI-HNNXBMFYSA-N 1 0 373.457 1.593 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CC2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255265 774167921 /nfs/dbraw/zinc/16/79/21/774167921.db2.gz OBHHLQYUEASZTM-UONOGXRCSA-N 1 0 363.487 1.028 20 10 FDCDRO CC(C)([NH3+])CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000891385624 776503054 /nfs/dbraw/zinc/50/30/54/776503054.db2.gz PFJUFPNSFQZSDO-UHFFFAOYSA-N 1 0 352.454 1.713 20 10 FDCDRO COC(=O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891516207 778187637 /nfs/dbraw/zinc/18/76/37/778187637.db2.gz GBFLHUMPVWAZPH-MRXNPFEDSA-N 1 0 350.463 1.608 20 10 FDCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(O)c1OC ZINC000891648108 778786415 /nfs/dbraw/zinc/78/64/15/778786415.db2.gz KHPPPKRLKBZFBF-CQSZACIVSA-N 1 0 372.487 1.703 20 10 FDCDRO CCCC(=O)NCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092012118 780063538 /nfs/dbraw/zinc/06/35/38/780063538.db2.gz RZGZCTFLKNAFMB-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000934126147 781200151 /nfs/dbraw/zinc/20/01/51/781200151.db2.gz UCHXGMQZWGSCCJ-MSOLQXFVSA-N 1 0 365.449 1.388 20 10 FDCDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000277291862 781348670 /nfs/dbraw/zinc/34/86/70/781348670.db2.gz BUKDAYQGAFZPGS-PBHICJAKSA-N 1 0 365.449 1.293 20 10 FDCDRO COC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H]1CCCO1 ZINC000892056820 781375568 /nfs/dbraw/zinc/37/55/68/781375568.db2.gz ARGNOTQCRKHXRN-AWEZNQCLSA-N 1 0 353.415 1.954 20 10 FDCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000892080209 781458913 /nfs/dbraw/zinc/45/89/13/781458913.db2.gz UPCKBZQEYFZTLI-RDTXWAMCSA-N 1 0 373.501 1.186 20 10 FDCDRO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000066155435 785885373 /nfs/dbraw/zinc/88/53/73/785885373.db2.gz NYWNUFZUTALMRW-UHFFFAOYSA-N 1 0 371.485 1.347 20 10 FDCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)cc1C ZINC001104686642 789377149 /nfs/dbraw/zinc/37/71/49/789377149.db2.gz KKSDDVNSSRZPRN-DDBAPUKQSA-N 1 0 373.497 1.699 20 10 FDCDRO COc1cc(N2CC[NH+](CCc3cnn(C)c3)CC2)cc(OC)c1OC ZINC000273587302 814797320 /nfs/dbraw/zinc/79/73/20/814797320.db2.gz IMJWKCGQWQZXMU-UHFFFAOYSA-N 1 0 360.458 1.811 20 10 FDCDRO COCCN1CC[C@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894273408 814830165 /nfs/dbraw/zinc/83/01/65/814830165.db2.gz OIIFKCDLHISKGV-AWEZNQCLSA-N 1 0 363.433 1.914 20 10 FDCDRO CCN(CC(N)=O)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436016058 816303922 /nfs/dbraw/zinc/30/39/22/816303922.db2.gz YBZBOJFWYKREQO-UHFFFAOYSA-N 1 0 356.470 1.742 20 10 FDCDRO CCN(C)C(=O)[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894383912 817997208 /nfs/dbraw/zinc/99/72/08/817997208.db2.gz XWAVLPUWWGTBDT-RHSMWYFYSA-N 1 0 363.506 1.521 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)[NH+](C)C)cc1 ZINC000894957017 819392026 /nfs/dbraw/zinc/39/20/26/819392026.db2.gz YMDLKLDYJZNCDF-BEFAXECRSA-N 1 0 370.501 1.935 20 10 FDCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895123490 820605473 /nfs/dbraw/zinc/60/54/73/820605473.db2.gz VMTWRPXASMTMME-OAHLLOKOSA-N 1 0 362.348 1.910 20 10 FDCDRO CCN1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1=O ZINC000895186931 821582877 /nfs/dbraw/zinc/58/28/77/821582877.db2.gz ZIEWHUQNBBDYEG-DOTOQJQBSA-N 1 0 361.490 1.275 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCN2CCCC2=O)[NH+](C)C)cc1 ZINC000895560452 822652011 /nfs/dbraw/zinc/65/20/11/822652011.db2.gz ZRCNOKCLBGPTHM-QGZVFWFLSA-N 1 0 361.490 1.277 20 10 FDCDRO OCCOCC1(O)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000895826955 822754714 /nfs/dbraw/zinc/75/47/14/822754714.db2.gz GLTOPGAAAXLAEM-UHFFFAOYSA-N 1 0 360.248 1.491 20 10 FDCDRO COC(=O)C1=CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000895969037 823848002 /nfs/dbraw/zinc/84/80/02/823848002.db2.gz IXQWDLWXSLIBBJ-SJLPKXTDSA-N 1 0 374.485 1.916 20 10 FDCDRO COC(=O)C1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896208547 824202614 /nfs/dbraw/zinc/20/26/14/824202614.db2.gz DNKNZGSDHWFNLH-VMBOVVBDSA-N 1 0 362.474 1.606 20 10 FDCDRO Cc1cccc(C[NH2+]CC(=O)NCC(=O)N(C)Cc2ccccc2)c1O ZINC000896886184 825645813 /nfs/dbraw/zinc/64/58/13/825645813.db2.gz UDEYYVCQPAJZHV-UHFFFAOYSA-N 1 0 355.438 1.565 20 10 FDCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841712359 835069047 /nfs/dbraw/zinc/06/90/47/835069047.db2.gz OBPIGLZEKOQHJR-UKRRQHHQSA-N 1 0 350.438 1.541 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COC3CCOCC3)CC2)cc1 ZINC000245872565 835703194 /nfs/dbraw/zinc/70/31/94/835703194.db2.gz PKLSQFYPZPCRLU-GOSISDBHSA-N 1 0 364.486 1.764 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000842035056 840828366 /nfs/dbraw/zinc/82/83/66/840828366.db2.gz CCDBSMJANXHPPE-UHFFFAOYSA-N 1 0 368.481 1.746 20 10 FDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000898156638 840835230 /nfs/dbraw/zinc/83/52/30/840835230.db2.gz FBENSPSRNLTFOW-GFCCVEGCSA-N 1 0 350.806 1.918 20 10 FDCDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000842037423 840847760 /nfs/dbraw/zinc/84/77/60/840847760.db2.gz CWCNTPPYYFTFLW-QGZVFWFLSA-N 1 0 372.469 1.720 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)cc1 ZINC000898580057 844892592 /nfs/dbraw/zinc/89/25/92/844892592.db2.gz ARXJFFOSIHXZLU-MRXNPFEDSA-N 1 0 359.470 1.501 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C[NH3+] ZINC000842170616 845203705 /nfs/dbraw/zinc/20/37/05/845203705.db2.gz KXNGCMTWDZYQDA-NVXWUHKLSA-N 1 0 356.470 1.122 20 10 FDCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842184946 845423932 /nfs/dbraw/zinc/42/39/32/845423932.db2.gz XUUXHYHKSODSTP-IAGOWNOFSA-N 1 0 374.529 1.802 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1F ZINC000842210387 845622780 /nfs/dbraw/zinc/62/27/80/845622780.db2.gz ZUEZTKXYEIIMEV-CYBMUJFWSA-N 1 0 350.438 1.108 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000842228312 845766432 /nfs/dbraw/zinc/76/64/32/845766432.db2.gz GONHEXSCJPPPGK-CVEARBPZSA-N 1 0 358.486 1.630 20 10 FDCDRO CSC[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101924 845774512 /nfs/dbraw/zinc/77/45/12/845774512.db2.gz NEJWTTPYOJFLHD-SJLPKXTDSA-N 1 0 368.547 1.769 20 10 FDCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842236220 845847909 /nfs/dbraw/zinc/84/79/09/845847909.db2.gz NAPDRMCOJWWNIX-UHFFFAOYSA-N 1 0 358.442 1.111 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCS3(=O)=O)cc2)CC1 ZINC000899210643 845944053 /nfs/dbraw/zinc/94/40/53/845944053.db2.gz CFYNULUXYVBLGN-KRWDZBQOSA-N 1 0 365.499 1.022 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(O)CCC1 ZINC000905052883 851614042 /nfs/dbraw/zinc/61/40/42/851614042.db2.gz WSKRLQLLTDHOQF-MRXNPFEDSA-N 1 0 374.403 1.908 20 10 FDCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCCC1 ZINC000905283856 851815289 /nfs/dbraw/zinc/81/52/89/851815289.db2.gz IQDIVPBFZCRYFM-INIZCTEOSA-N 1 0 356.413 1.557 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3C[C@H](OC)C3)CC2)cc1 ZINC000905422284 851918163 /nfs/dbraw/zinc/91/81/63/851918163.db2.gz GUJDDIPMGFWETJ-YVWKXTFCSA-N 1 0 363.502 1.193 20 10 FDCDRO CCOCCCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905530307 852023883 /nfs/dbraw/zinc/02/38/83/852023883.db2.gz PMEQKZTYEHLNGE-UHFFFAOYSA-N 1 0 350.532 1.829 20 10 FDCDRO COC1(CS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC000908460431 855445781 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CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](O)C[C@@H]3C)cc2F)CC1 ZINC000788323350 932665533 /nfs/dbraw/zinc/66/55/33/932665533.db2.gz LIIDFNLICNEOCT-GOEBONIOSA-N 1 0 364.465 1.632 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000788561589 932732898 /nfs/dbraw/zinc/73/28/98/932732898.db2.gz FAXHQMBIVCYPAP-CABCVRRESA-N 1 0 362.449 1.251 20 10 FDCDRO O=S(=O)(NC1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000772722463 932746337 /nfs/dbraw/zinc/74/63/37/932746337.db2.gz MQWRQJFQRIWYRK-AWEZNQCLSA-N 1 0 359.879 1.596 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000788951750 932886965 /nfs/dbraw/zinc/88/69/65/932886965.db2.gz RTNBYCPAVWLXDW-GOSISDBHSA-N 1 0 372.513 1.750 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2CC[NH+](CC)CC2)cc1 ZINC000788962318 932891620 /nfs/dbraw/zinc/89/16/20/932891620.db2.gz DCDAQZIXJBPPJF-UHFFFAOYSA-N 1 0 374.529 1.997 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790265701 933453775 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000807095822 940247586 /nfs/dbraw/zinc/24/75/86/940247586.db2.gz GTSZRLAQVLVHGA-GOSISDBHSA-N 1 0 358.486 1.372 20 10 FDCDRO CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000807184945 940274946 /nfs/dbraw/zinc/27/49/46/940274946.db2.gz VGVNOAIEVWTQFJ-LJQANCHMSA-N 1 0 370.497 1.456 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000807677426 940453710 /nfs/dbraw/zinc/45/37/10/940453710.db2.gz OPCCVNUWCKXWHX-VKJFTORMSA-N 1 0 360.502 1.871 20 10 FDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783568 940902275 /nfs/dbraw/zinc/90/22/75/940902275.db2.gz ABRIDIDEFTUEGL-CYBMUJFWSA-N 1 0 354.472 1.695 20 10 FDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c(O)c1 ZINC000815586695 941912913 /nfs/dbraw/zinc/91/29/13/941912913.db2.gz OZLYHGLBUVNOTO-CYBMUJFWSA-N 1 0 353.444 1.767 20 10 FDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817914927 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358.394 1.946 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000846726613 951492843 /nfs/dbraw/zinc/49/28/43/951492843.db2.gz GVSGHQZGDWJCRO-OAHLLOKOSA-N 1 0 364.490 1.046 20 10 FDCDRO O=C1NC(=O)[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)N1 ZINC001181592000 960975288 /nfs/dbraw/zinc/97/52/88/960975288.db2.gz WVTARYTWAXMMHF-QRWLVFNGSA-N 1 0 372.469 1.116 20 10 FDCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000774690241 963313396 /nfs/dbraw/zinc/31/33/96/963313396.db2.gz PQUPUYJEEPIZON-ZENOOKHLSA-N 1 0 351.399 1.361 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC001177515236 963859561 /nfs/dbraw/zinc/85/95/61/963859561.db2.gz IGXAYKDBGXUZDR-UHFFFAOYSA-N 1 0 374.510 1.767 20 10 FDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC001177479654 963862506 /nfs/dbraw/zinc/86/25/06/963862506.db2.gz XNDNSYRHJSVMEG-UHFFFAOYSA-N 1 0 359.449 1.933 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cnoc3)CC2)cc1 ZINC001178408446 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C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCC1 ZINC000775831974 972921810 /nfs/dbraw/zinc/92/18/10/972921810.db2.gz VYSOLKJWKLRAGN-HZPDHXFCSA-N 1 0 360.502 1.920 20 10 FDCDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775837018 972961976 /nfs/dbraw/zinc/96/19/76/972961976.db2.gz QERIHLWGRIKGCK-RHSMWYFYSA-N 1 0 367.515 1.439 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3ccc[nH]c3=O)CC2)cc1 ZINC000863585371 973036448 /nfs/dbraw/zinc/03/64/48/973036448.db2.gz WXKQHLXRKHIFRA-SFHVURJKSA-N 1 0 372.469 1.069 20 10 FDCDRO CCOC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000794600211 973471076 /nfs/dbraw/zinc/47/10/76/973471076.db2.gz LQFFKMHKHSPKGD-IBGZPJMESA-N 1 0 363.502 1.995 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867424752 975227841 /nfs/dbraw/zinc/22/78/41/975227841.db2.gz VQDLWEUJBFRUJN-WBVHZDCISA-N 1 0 359.470 1.683 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)cc2F)CC1 ZINC000106702578 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ZINC000288944968 1000061892 /nfs/dbraw/zinc/06/18/92/1000061892.db2.gz OCNNVQQZBGPZAR-ZBFHGGJFSA-N 1 0 358.486 1.452 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CN=C(c4cnn(C)c4)O3)CC2)cc1 ZINC000929316035 1001927377 /nfs/dbraw/zinc/92/73/77/1001927377.db2.gz OHLISZIHWXDTGF-IBGZPJMESA-N 1 0 369.469 1.786 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc[nH]1 ZINC000930231645 1002951433 /nfs/dbraw/zinc/95/14/33/1002951433.db2.gz BXTDCVSFLQCJLP-KDOFPFPSSA-N 1 0 371.485 1.677 20 10 FDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000930321554 1003022866 /nfs/dbraw/zinc/02/28/66/1003022866.db2.gz PVPBWYLFMWUSKU-PKOBYXMFSA-N 1 0 372.513 1.877 20 10 FDCDRO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000931122861 1003904046 /nfs/dbraw/zinc/90/40/46/1003904046.db2.gz ZLKOIDGENOIRKA-SFHVURJKSA-N 1 0 372.469 1.689 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccn(C)c(=O)c2)[NH+](C)C)cc1 ZINC000931636689 1004344821 /nfs/dbraw/zinc/34/48/21/1004344821.db2.gz NAGNRUTUCWEKEQ-QGZVFWFLSA-N 1 0 357.458 1.876 20 10 FDCDRO CC(C)n1nnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000933454657 1005560906 /nfs/dbraw/zinc/56/09/06/1005560906.db2.gz XQBHPYHDMXJZPA-OAHLLOKOSA-N 1 0 360.466 1.744 20 10 FDCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000933721357 1005618433 /nfs/dbraw/zinc/61/84/33/1005618433.db2.gz FKIMMWFKPHFCTE-CALCHBBNSA-N 1 0 364.511 1.778 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000779630770 1010472726 /nfs/dbraw/zinc/47/27/26/1010472726.db2.gz DYYIPJZDUGFSDW-UHFFFAOYSA-N 1 0 367.497 1.928 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1F ZINC000084963963 1012054638 /nfs/dbraw/zinc/05/46/38/1012054638.db2.gz ZFTZMFAPGDFTAJ-IRXDYDNUSA-N 1 0 368.449 1.513 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c(OC)c1 ZINC000892169657 781948542 /nfs/dbraw/zinc/94/85/42/781948542.db2.gz LZQFCVHKVBCATP-CABCVRRESA-N 1 0 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BOZCSSLVJDVORO-FKIZTMCRSA-N 1 0 373.497 1.452 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C)C3)cc2F)CC1 ZINC000171751333 526109209 /nfs/dbraw/zinc/10/92/09/526109209.db2.gz SREGIZPMWQQYKP-OAHLLOKOSA-N 1 0 364.465 1.898 20 10 FDCDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc(O)c1O ZINC000185871828 536219709 /nfs/dbraw/zinc/21/97/09/536219709.db2.gz LRYOVLKRKFYHPS-NVXWUHKLSA-N 1 0 356.422 1.711 20 10 FDCDRO COc1c([O-])c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278295238 537294551 /nfs/dbraw/zinc/29/45/51/537294551.db2.gz CBXWCRNEWSWGRX-ZDUSSCGKSA-N 1 0 352.435 1.425 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000283895205 537389486 /nfs/dbraw/zinc/38/94/86/537389486.db2.gz GDHHDPFXULDYOL-PKOBYXMFSA-N 1 0 372.513 1.702 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1conc1CC)cc2=O ZINC000293432659 537455193 /nfs/dbraw/zinc/45/51/93/537455193.db2.gz NYHKFBYOGQOYOW-UHFFFAOYSA-N 1 0 359.386 1.794 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)CC2)cc1 ZINC000284809215 537566759 /nfs/dbraw/zinc/56/67/59/537566759.db2.gz PCZIOJCLNFEVFJ-WOJBJXKFSA-N 1 0 373.497 1.987 20 10 FDCDRO CCOCc1cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)ccc1OC ZINC000360093470 537579139 /nfs/dbraw/zinc/57/91/39/537579139.db2.gz SEYRHULTMNPOLN-INIZCTEOSA-N 1 0 358.442 1.860 20 10 FDCDRO Cc1ccc(O)c(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000295078468 537710374 /nfs/dbraw/zinc/71/03/74/537710374.db2.gz QACLXVQYXZUNCX-UHFFFAOYSA-N 1 0 363.483 1.916 20 10 FDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000295139006 537710897 /nfs/dbraw/zinc/71/08/97/537710897.db2.gz ZFXPUYFZCWCGRI-LBPRGKRZSA-N 1 0 365.293 1.881 20 10 FDCDRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285683824 537745850 /nfs/dbraw/zinc/74/58/50/537745850.db2.gz JTQLNOBUUKKYEW-UHFFFAOYSA-N 1 0 352.454 1.356 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000368969612 537994904 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COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000278098152 675092844 /nfs/dbraw/zinc/09/28/44/675092844.db2.gz QNINEBCSUCVPSY-VQIMIIECSA-N 1 0 352.475 1.367 20 10 FDCDRO CCC[NH+]1CCC(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)CC1 ZINC000028975971 670799166 /nfs/dbraw/zinc/79/91/66/670799166.db2.gz RBGPOXGQOCBWJI-UVTDQMKNSA-N 1 0 352.504 1.234 20 10 FDCDRO Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000038635370 670884331 /nfs/dbraw/zinc/88/43/31/670884331.db2.gz MEAISQOCUFJWHA-MRXNPFEDSA-N 1 0 366.487 1.939 20 10 FDCDRO NC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000050926882 671114643 /nfs/dbraw/zinc/11/46/43/671114643.db2.gz HMXWWVCNLDQPFS-HNNXBMFYSA-N 1 0 365.227 1.994 20 10 FDCDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000101984353 671585126 /nfs/dbraw/zinc/58/51/26/671585126.db2.gz RZTUBVMRHIIDJQ-UHFFFAOYSA-N 1 0 352.454 1.802 20 10 FDCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266604978 673156892 /nfs/dbraw/zinc/15/68/92/673156892.db2.gz VZDZMWYDBRUQGW-CYBMUJFWSA-N 1 0 369.487 1.568 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)N(C)C)c(C(F)(F)F)c1 ZINC000289462061 676139925 /nfs/dbraw/zinc/13/99/25/676139925.db2.gz COQIVUFPOOMYFO-UHFFFAOYSA-N 1 0 353.410 1.752 20 10 FDCDRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296382239 676418166 /nfs/dbraw/zinc/41/81/66/676418166.db2.gz JPQIIDJUURPARC-YJBOKZPZSA-N 1 0 352.500 1.877 20 10 FDCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCNC(=O)C1 ZINC000371119757 677648214 /nfs/dbraw/zinc/64/82/14/677648214.db2.gz VHSSIJJIHJMURR-WFASDCNBSA-N 1 0 365.861 1.652 20 10 FDCDRO COC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000376158740 678233791 /nfs/dbraw/zinc/23/37/91/678233791.db2.gz WIMNFXAIDRQAFT-CQSZACIVSA-N 1 0 361.364 1.644 20 10 FDCDRO CCOc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1O ZINC000378145413 678703921 /nfs/dbraw/zinc/70/39/21/678703921.db2.gz BPRDYFUILZBYRW-IBGZPJMESA-N 1 0 350.459 1.762 20 10 FDCDRO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2-c2ccc(OC)cc2)C1 ZINC001020606661 771000858 /nfs/dbraw/zinc/00/08/58/771000858.db2.gz ZBJDDPSEKXSNDS-VMUDFCTBSA-N 1 0 370.457 1.454 20 10 FDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000275380391 771764229 /nfs/dbraw/zinc/76/42/29/771764229.db2.gz AXFSBVZGYHFDLR-UHFFFAOYSA-N 1 0 364.465 1.946 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccn3nnnc23)[NH+](C)C)cc1 ZINC000891245847 774082765 /nfs/dbraw/zinc/08/27/65/774082765.db2.gz JUSSKYRFLBWRMK-MRXNPFEDSA-N 1 0 353.430 1.223 20 10 FDCDRO CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000891250303 774123478 /nfs/dbraw/zinc/12/34/78/774123478.db2.gz WKLOQHLXZZUJMZ-MSOLQXFVSA-N 1 0 359.474 1.593 20 10 FDCDRO Cc1nn(C)c(C)c1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252740 774136788 /nfs/dbraw/zinc/13/67/88/774136788.db2.gz NIPOXBZWTZANNB-GOSISDBHSA-N 1 0 373.501 1.901 20 10 FDCDRO COC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nnc1OC ZINC001167427121 774586343 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361.486 1.845 20 10 FDCDRO C[C@@H](Cn1cncn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892567186 787345194 /nfs/dbraw/zinc/34/51/94/787345194.db2.gz CAFQHXQLBLNDQU-WMLDXEAASA-N 1 0 359.478 1.335 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000162963268 787963194 /nfs/dbraw/zinc/96/31/94/787963194.db2.gz WFBCHHLIPCIKEM-GOEBONIOSA-N 1 0 365.449 1.293 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)Cc3cnn(C)c3)CC2)cc1 ZINC000053775295 800135885 /nfs/dbraw/zinc/13/58/85/800135885.db2.gz QYFCQPQIHYDMBB-UHFFFAOYSA-N 1 0 371.485 1.599 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)[NH+](C)C)cc1 ZINC000893461892 804034054 /nfs/dbraw/zinc/03/40/54/804034054.db2.gz ADYRAMFMHDGQFG-MAUKXSAKSA-N 1 0 373.501 1.418 20 10 FDCDRO CC(=O)NCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607398 807039421 /nfs/dbraw/zinc/03/94/21/807039421.db2.gz HPYYKFAQTRFRBA-UHFFFAOYSA-N 1 0 360.502 1.751 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)CN1CCc3ccccc3C1)OCO2 ZINC000237957982 809532035 /nfs/dbraw/zinc/53/20/35/809532035.db2.gz ZCPATECACOYGEZ-QGZVFWFLSA-N 1 0 356.422 1.630 20 10 FDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1O ZINC000893928688 809819035 /nfs/dbraw/zinc/81/90/35/809819035.db2.gz XOZNWFXVSUXQKX-UHFFFAOYSA-N 1 0 361.486 1.839 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2COC(C)(C)O2)[NH+](C)C)cc1 ZINC000894118603 810125797 /nfs/dbraw/zinc/12/57/97/810125797.db2.gz BEFYAHSWRQCWPV-DLBZAZTESA-N 1 0 364.490 1.806 20 10 FDCDRO C[C@H](C[S@](C)=O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894152820 810563068 /nfs/dbraw/zinc/56/30/68/810563068.db2.gz OQHBHWMBBWAZCO-LBCXTIRYSA-N 1 0 354.520 1.422 20 10 FDCDRO CCCN(C(=O)C(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CC[NH2+]C1 ZINC000419703305 812094764 /nfs/dbraw/zinc/09/47/64/812094764.db2.gz DEQVTMXOKAICBP-OAHLLOKOSA-N 1 0 356.470 1.703 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272886761 814783076 /nfs/dbraw/zinc/78/30/76/814783076.db2.gz YRJIQXCTCWEKMR-INIZCTEOSA-N 1 0 358.486 1.973 20 10 FDCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000894276973 814898827 /nfs/dbraw/zinc/89/88/27/814898827.db2.gz ZDMBNLIRZYIWIQ-HNNXBMFYSA-N 1 0 372.487 1.287 20 10 FDCDRO COCCOC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCOCC1 ZINC000894673800 818304103 /nfs/dbraw/zinc/30/41/03/818304103.db2.gz PSRAPEHVGHRGTD-UHFFFAOYSA-N 1 0 355.431 1.711 20 10 FDCDRO Oc1cc(O)c(CCNc2ccc(OCC[NH+]3CCCC3)nn2)cc1O ZINC001168006395 820365565 /nfs/dbraw/zinc/36/55/65/820365565.db2.gz NBTHUMCXMBQXDW-UHFFFAOYSA-N 1 0 360.414 1.723 20 10 FDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000729523784 820481872 /nfs/dbraw/zinc/48/18/72/820481872.db2.gz MNSMDFHZDWXJAB-UHFFFAOYSA-N 1 0 367.515 1.270 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CCO)C3)CC2)cc1 ZINC000729544849 822677458 /nfs/dbraw/zinc/67/74/58/822677458.db2.gz NYDIHPMSGCNFET-QGZVFWFLSA-N 1 0 361.486 1.438 20 10 FDCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895875945 822776739 /nfs/dbraw/zinc/77/67/39/822776739.db2.gz CPWBUTXNMKPKIP-INIZCTEOSA-N 1 0 360.502 1.931 20 10 FDCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000896593434 824693536 /nfs/dbraw/zinc/69/35/36/824693536.db2.gz LOJZBVYXGPUWPI-UHFFFAOYSA-N 1 0 372.487 1.703 20 10 FDCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)cc1 ZINC001088216676 827525946 /nfs/dbraw/zinc/52/59/46/827525946.db2.gz UCLCMEANAXRLOE-CABCVRRESA-N 1 0 359.430 1.625 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841651766 833221743 /nfs/dbraw/zinc/22/17/43/833221743.db2.gz ALNRUYGDGCICIW-HNNXBMFYSA-N 1 0 373.423 1.388 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3ccccc3)cc2)CC1 ZINC000897313445 827897908 /nfs/dbraw/zinc/89/79/08/827897908.db2.gz DGCMSHISQXLYTC-UHFFFAOYSA-N 1 0 366.465 1.371 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cccs3)cc2)CC1 ZINC000897334756 828237697 /nfs/dbraw/zinc/23/76/97/828237697.db2.gz GRWKLMOUSHPXOK-UHFFFAOYSA-N 1 0 372.494 1.433 20 10 FDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841722570 835227100 /nfs/dbraw/zinc/22/71/00/835227100.db2.gz OSTGBSORABPLBE-ZMSDIMECSA-N 1 0 373.501 1.280 20 10 FDCDRO O=C1NCCN1CC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000897580753 839738270 /nfs/dbraw/zinc/73/82/70/839738270.db2.gz VAIBEJZNMCXLAG-UHFFFAOYSA-N 1 0 372.513 1.885 20 10 FDCDRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000842041227 840824496 /nfs/dbraw/zinc/82/44/96/840824496.db2.gz WVGXUKVKFILEKV-MRXNPFEDSA-N 1 0 368.481 1.564 20 10 FDCDRO CCN(CC1CC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898323625 840943551 /nfs/dbraw/zinc/94/35/51/840943551.db2.gz PTLDLPUXVFBQFB-UHFFFAOYSA-N 1 0 358.486 1.313 20 10 FDCDRO CCOCc1cc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@H]2CO)ccc1OC ZINC000898359312 840965668 /nfs/dbraw/zinc/96/56/68/840965668.db2.gz OYALETGDPLKGCB-IRXDYDNUSA-N 1 0 366.458 1.771 20 10 FDCDRO COC(=O)[C@](C)(Cn1cccn1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898339758 840977901 /nfs/dbraw/zinc/97/79/01/840977901.db2.gz IROQSLFVWMFXOI-FQEVSTJZSA-N 1 0 371.485 1.356 20 10 FDCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H](CO)C1 ZINC000898349943 840985675 /nfs/dbraw/zinc/98/56/75/840985675.db2.gz DUGFVBLKPZLPTO-YPMHNXCESA-N 1 0 373.247 1.694 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1F ZINC000842148398 844986417 /nfs/dbraw/zinc/98/64/17/844986417.db2.gz NETAIUSTQVDUJO-INIZCTEOSA-N 1 0 358.417 1.324 20 10 FDCDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C12CCC2 ZINC000898842880 845333804 /nfs/dbraw/zinc/33/38/04/845333804.db2.gz YCNCJBYYVQGSOB-CABCVRRESA-N 1 0 367.471 1.366 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898983460 845573037 /nfs/dbraw/zinc/57/30/37/845573037.db2.gz UMNQCPJGXYRUCJ-UHFFFAOYSA-N 1 0 373.497 1.375 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1F ZINC000842210393 845622747 /nfs/dbraw/zinc/62/27/47/845622747.db2.gz ZVYQUOYOXAHQHC-UHFFFAOYSA-N 1 0 350.438 1.110 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000842210326 845626001 /nfs/dbraw/zinc/62/60/01/845626001.db2.gz ZAMXGPCNMRJEES-BBRMVZONSA-N 1 0 364.465 1.484 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C3CCC2(C(N)=O)CC3)[NH+](C)C)cc1 ZINC000899095777 845756367 /nfs/dbraw/zinc/75/63/67/845756367.db2.gz MDZYIDRHWXPMLD-OHTSDLOESA-N 1 0 373.501 1.547 20 10 FDCDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842227556 845762894 /nfs/dbraw/zinc/76/28/94/845762894.db2.gz SZCRZFPEJQDTII-OAHLLOKOSA-N 1 0 371.437 1.630 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000899102824 845775255 /nfs/dbraw/zinc/77/52/55/845775255.db2.gz SJDMXARVWXUESL-UONOGXRCSA-N 1 0 362.396 1.578 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C3CC3)CC2)[NH+](C)C)cc1 ZINC000899103343 845775524 /nfs/dbraw/zinc/77/55/24/845775524.db2.gz ZRJCQUAUZDLVBE-LJQANCHMSA-N 1 0 359.518 1.845 20 10 FDCDRO CC(C)[C@H](CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105801 845780414 /nfs/dbraw/zinc/78/04/14/845780414.db2.gz ZAIUORJNOWTTQK-FUHWJXTLSA-N 1 0 350.507 1.919 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)[NH+](C)C)cc1 ZINC000899099144 845793775 /nfs/dbraw/zinc/79/37/75/845793775.db2.gz WBGYVCLEHJTZAQ-CVEARBPZSA-N 1 0 370.444 1.767 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842233488 845797806 /nfs/dbraw/zinc/79/78/06/845797806.db2.gz TXZAIIPOPUXJOC-MRXNPFEDSA-N 1 0 360.502 1.605 20 10 FDCDRO COC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100610 845797915 /nfs/dbraw/zinc/79/79/15/845797915.db2.gz AYTQPBMVDCFSLT-IAGOWNOFSA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2CCN(C)C2=O)[NH+](C)C)cc1 ZINC000899101154 845798882 /nfs/dbraw/zinc/79/88/82/845798882.db2.gz FOGNUUAKZPPAAW-IRXDYDNUSA-N 1 0 361.490 1.227 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000842236745 845857010 /nfs/dbraw/zinc/85/70/10/845857010.db2.gz QMUHQMUMHMJMAW-UHFFFAOYSA-N 1 0 358.486 1.404 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000842271354 846155422 /nfs/dbraw/zinc/15/54/22/846155422.db2.gz VMZCCOPIVMOHIB-UHFFFAOYSA-N 1 0 358.486 1.527 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C3(O)CCOCC3)CC2)cc1 ZINC000905084801 851634919 /nfs/dbraw/zinc/63/49/19/851634919.db2.gz UNKSCMLBGBGKKL-SFHVURJKSA-N 1 0 350.459 1.156 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000905620999 852093029 /nfs/dbraw/zinc/09/30/29/852093029.db2.gz JBHXEFSWDGMNED-QFUCXCTJSA-N 1 0 359.514 1.958 20 10 FDCDRO CCn1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000908458445 855471425 /nfs/dbraw/zinc/47/14/25/855471425.db2.gz VHTRBQCHDVDBJV-KRWDZBQOSA-N 1 0 365.503 1.550 20 10 FDCDRO CC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C1 ZINC000910282905 857030805 /nfs/dbraw/zinc/03/08/05/857030805.db2.gz WRQHNVJFGCWPGO-LBPRGKRZSA-N 1 0 355.460 1.320 20 10 FDCDRO CC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H](C)C1 ZINC000910282904 857031448 /nfs/dbraw/zinc/03/14/48/857031448.db2.gz WRQHNVJFGCWPGO-GFCCVEGCSA-N 1 0 355.460 1.320 20 10 FDCDRO CNC(=O)NCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000910890860 857847181 /nfs/dbraw/zinc/84/71/81/857847181.db2.gz KLGLFIWEWZHQQD-UHFFFAOYSA-N 1 0 371.485 1.453 20 10 FDCDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000911229193 858376647 /nfs/dbraw/zinc/37/66/47/858376647.db2.gz JXGYAMOKLGRKDP-OXQOHEQNSA-N 1 0 356.470 1.243 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000911231340 858379665 /nfs/dbraw/zinc/37/96/65/858379665.db2.gz ZTBVSJHPWRSVRS-NVXWUHKLSA-N 1 0 360.502 1.592 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncc(Br)cn2)cc1 ZINC000911665452 858878008 /nfs/dbraw/zinc/87/80/08/858878008.db2.gz CIMMOAUKBBGCBY-CYBMUJFWSA-N 1 0 364.247 1.735 20 10 FDCDRO CC[NH+](CC)[C@H](CNC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1 ZINC000060865289 864732779 /nfs/dbraw/zinc/73/27/79/864732779.db2.gz PVLSTOMWQXKAIV-MRXNPFEDSA-N 1 0 358.442 1.593 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](C4CC4)C3=O)cc2F)CC1 ZINC000761285577 864856907 /nfs/dbraw/zinc/85/69/07/864856907.db2.gz ZUYLANFFBWVOHA-KRWDZBQOSA-N 1 0 360.433 1.798 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000673315309 873433791 /nfs/dbraw/zinc/43/37/91/873433791.db2.gz TVYWGMIRJQNJIN-WMLDXEAASA-N 1 0 370.497 1.902 20 10 FDCDRO NC(=O)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000761979790 874905421 /nfs/dbraw/zinc/90/54/21/874905421.db2.gz IHMWXPVFNMAQHT-AWEZNQCLSA-N 1 0 365.861 1.782 20 10 FDCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979892 877287569 /nfs/dbraw/zinc/28/75/69/877287569.db2.gz WGMNIWZWVYSKJH-CQSZACIVSA-N 1 0 362.499 1.814 20 10 FDCDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706835740 886655763 /nfs/dbraw/zinc/65/57/63/886655763.db2.gz PIXZGQOZUODZIJ-SNVBAGLBSA-N 1 0 363.277 1.668 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)cc1 ZINC000785434892 907391228 /nfs/dbraw/zinc/39/12/28/907391228.db2.gz WOIYCJOHIPXKDD-HNNXBMFYSA-N 1 0 355.442 1.118 20 10 FDCDRO C[NH+](C)CCOCCNC(=O)NCc1cccc(Br)c1O ZINC000765566053 907604397 /nfs/dbraw/zinc/60/43/97/907604397.db2.gz VOGXHJCCDWQURJ-UHFFFAOYSA-N 1 0 360.252 1.532 20 10 FDCDRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000765756166 908849950 /nfs/dbraw/zinc/84/99/50/908849950.db2.gz BNFLBAKDVGLEKY-GOSISDBHSA-N 1 0 368.547 1.371 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@](C)(CO)c1ccccc1)cc2=O ZINC000731843872 918668808 /nfs/dbraw/zinc/66/88/08/918668808.db2.gz ADKHCMLWLDDOQR-LJQANCHMSA-N 1 0 370.409 1.609 20 10 FDCDRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000732198618 919236947 /nfs/dbraw/zinc/23/69/47/919236947.db2.gz ZEOPTHVHBWQOCW-UHFFFAOYSA-N 1 0 363.458 1.229 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000733851112 922139806 /nfs/dbraw/zinc/13/98/06/922139806.db2.gz QCAJELCRPKNELZ-CYBMUJFWSA-N 1 0 351.447 1.872 20 10 FDCDRO C[NH+]1CCN(c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)cc2)CC1 ZINC000771517753 930711301 /nfs/dbraw/zinc/71/13/01/930711301.db2.gz JFUBGSRQKRSBHL-SAPNQHFASA-N 1 0 372.494 1.741 20 10 FDCDRO CC(C)[N@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000771791338 930891011 /nfs/dbraw/zinc/89/10/11/930891011.db2.gz NTVLKNBZAVDVCY-UHFFFAOYSA-N 1 0 362.518 1.994 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000788568803 932741834 /nfs/dbraw/zinc/74/18/34/932741834.db2.gz DGANVLUQGQNHHD-QZTJIDSGSA-N 1 0 370.497 1.428 20 10 FDCDRO C[NH+]1CCN(C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)CC1 ZINC000790633035 933634391 /nfs/dbraw/zinc/63/43/91/933634391.db2.gz CDHNLTJGQVTATE-QGZVFWFLSA-N 1 0 355.438 1.816 20 10 FDCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000790961440 933802034 /nfs/dbraw/zinc/80/20/34/933802034.db2.gz DLSHXGPKYRMQKM-UHFFFAOYSA-N 1 0 361.467 1.615 20 10 FDCDRO COc1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794376617 938394826 /nfs/dbraw/zinc/39/48/26/938394826.db2.gz GUQQBIICMYVXLL-HXUWFJFHSA-N 1 0 356.422 1.654 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)C[NH+](C)C ZINC000806282505 939880829 /nfs/dbraw/zinc/88/08/29/939880829.db2.gz XWAZHGQWQKQWPL-GFCCVEGCSA-N 1 0 372.560 1.834 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)c3cccn3C)cc2F)CC1 ZINC000806810327 940063403 /nfs/dbraw/zinc/06/34/03/940063403.db2.gz SNWAGQYIHMPWNT-UHFFFAOYSA-N 1 0 372.444 1.805 20 10 FDCDRO CC1(C)CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1CCO ZINC000806959580 940147159 /nfs/dbraw/zinc/14/71/59/940147159.db2.gz XSIJRWPIRBBCQE-UHFFFAOYSA-N 1 0 358.533 1.723 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000807099591 940249493 /nfs/dbraw/zinc/24/94/93/940249493.db2.gz ADHRLVWNCIOQKB-PKOBYXMFSA-N 1 0 372.513 1.620 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000807101448 940250283 /nfs/dbraw/zinc/25/02/83/940250283.db2.gz YMDTWTSXUVBHAH-SFHVURJKSA-N 1 0 374.529 1.914 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807678439 940454158 /nfs/dbraw/zinc/45/41/58/940454158.db2.gz XJCQQOGMOFLBQX-SJORKVTESA-N 1 0 372.513 1.874 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000807679449 940454629 /nfs/dbraw/zinc/45/46/29/940454629.db2.gz RVVZPJIDLLPETL-GJZGRUSLSA-N 1 0 358.486 1.696 20 10 FDCDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000809684939 940886236 /nfs/dbraw/zinc/88/62/36/940886236.db2.gz SQFAERVPSMYPAT-UHFFFAOYSA-N 1 0 367.446 1.983 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000813330635 941366493 /nfs/dbraw/zinc/36/64/93/941366493.db2.gz BLUOWFRJSJAJCQ-CQSZACIVSA-N 1 0 357.458 1.793 20 10 FDCDRO CCOCC(C)(C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000815136673 941790228 /nfs/dbraw/zinc/79/02/28/941790228.db2.gz KHCNQELFZIBEAY-GOSISDBHSA-N 1 0 365.518 1.583 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000817808802 942962664 /nfs/dbraw/zinc/96/26/64/942962664.db2.gz ZJNVSQVVFHYKLY-NVXWUHKLSA-N 1 0 372.513 1.461 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000817832388 942993343 /nfs/dbraw/zinc/99/33/43/942993343.db2.gz QPNSFFHCUBGAIT-UHFFFAOYSA-N 1 0 360.502 1.668 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000817830458 943038128 /nfs/dbraw/zinc/03/81/28/943038128.db2.gz AJYVIIGTTZVJDC-LJQANCHMSA-N 1 0 370.497 1.620 20 10 FDCDRO C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817892372 943066634 /nfs/dbraw/zinc/06/66/34/943066634.db2.gz MVXJMHBQEFKYPV-MAUKXSAKSA-N 1 0 351.516 1.542 20 10 FDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894581 943068056 /nfs/dbraw/zinc/06/80/56/943068056.db2.gz NCGUQJQDOHKWGN-RBUKOAKNSA-N 1 0 361.486 1.279 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817929295 943069683 /nfs/dbraw/zinc/06/96/83/943069683.db2.gz FUJADXZLMGUHIP-IEBWSBKVSA-N 1 0 372.513 1.700 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817911322 943074738 /nfs/dbraw/zinc/07/47/38/943074738.db2.gz JWFQRXREGJVPHW-UHFFFAOYSA-N 1 0 354.501 1.096 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C2CC2)cc1 ZINC000817926259 943082262 /nfs/dbraw/zinc/08/22/62/943082262.db2.gz CKLNIHPJNUISDJ-NRFANRHFSA-N 1 0 370.497 1.456 20 10 FDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935927 943087189 /nfs/dbraw/zinc/08/71/89/943087189.db2.gz PRXKJVYEWWXQJE-HZPDHXFCSA-N 1 0 369.412 1.185 20 10 FDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000817930951 943097971 /nfs/dbraw/zinc/09/79/71/943097971.db2.gz QCNXPGAONAGERP-SFHVURJKSA-N 1 0 374.529 1.948 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000817931365 943098290 /nfs/dbraw/zinc/09/82/90/943098290.db2.gz REVBUFRRIDVBER-SJLPKXTDSA-N 1 0 374.529 1.933 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000817994250 943098802 /nfs/dbraw/zinc/09/88/02/943098802.db2.gz MYQLEHBHNQXHNQ-UHFFFAOYSA-N 1 0 368.481 1.699 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000817993611 943128040 /nfs/dbraw/zinc/12/80/40/943128040.db2.gz NKPYJQZACPTMSX-UHFFFAOYSA-N 1 0 360.502 1.702 20 10 FDCDRO Cn1cc([C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]2[NH3+])cn1 ZINC000818647391 943317259 /nfs/dbraw/zinc/31/72/59/943317259.db2.gz WMGWTIQSTFBPDE-RBUKOAKNSA-N 1 0 368.485 1.657 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818963964 943345304 /nfs/dbraw/zinc/34/53/04/943345304.db2.gz GWBWZPYBDFZUFX-MAUKXSAKSA-N 1 0 354.516 1.742 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1 ZINC000818941949 943354071 /nfs/dbraw/zinc/35/40/71/943354071.db2.gz UQMGHSPSXKQLSF-UHFFFAOYSA-N 1 0 356.488 1.599 20 10 FDCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2F)C[C@H](C)O1 ZINC000818967299 943384890 /nfs/dbraw/zinc/38/48/90/943384890.db2.gz SMCXAXABEOVCDU-HLLBOEOZSA-N 1 0 362.449 1.787 20 10 FDCDRO CCc1ncc(CNC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000819358076 943540499 /nfs/dbraw/zinc/54/04/99/943540499.db2.gz YWRWUDCATUJHSR-KRWDZBQOSA-N 1 0 374.485 1.518 20 10 FDCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)Cn1cccn1 ZINC000819359321 943541995 /nfs/dbraw/zinc/54/19/95/943541995.db2.gz URLCYJALPWTGSZ-CQSZACIVSA-N 1 0 352.385 1.149 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000819376893 943564055 /nfs/dbraw/zinc/56/40/55/943564055.db2.gz JXGBMXQDGCQSCZ-OAHLLOKOSA-N 1 0 354.516 1.521 20 10 FDCDRO COc1cc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1OC ZINC000856534949 971215745 /nfs/dbraw/zinc/21/57/45/971215745.db2.gz JBEUKZSRIUIXIF-JKSUJKDBSA-N 1 0 371.437 1.760 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCNC1=O ZINC000867152681 971414119 /nfs/dbraw/zinc/41/41/19/971414119.db2.gz NBOJHXYONJBWQT-LJQANCHMSA-N 1 0 370.497 1.361 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN[C@@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000844225947 947860455 /nfs/dbraw/zinc/86/04/55/947860455.db2.gz JFFIGKKEFTZCJQ-GOSISDBHSA-N 1 0 360.502 1.322 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226855 947862529 /nfs/dbraw/zinc/86/25/29/947862529.db2.gz QWJNUIKSUYLGOV-IRXDYDNUSA-N 1 0 360.502 1.261 20 10 FDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCOC1 ZINC000844403585 948033811 /nfs/dbraw/zinc/03/38/11/948033811.db2.gz GXURJEQRSHULIT-GOSISDBHSA-N 1 0 361.486 1.845 20 10 FDCDRO CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(O)cc2O)[C@H](CO)C1 ZINC001144504203 949715488 /nfs/dbraw/zinc/71/54/88/949715488.db2.gz NNEXPBWGQDUXME-NSHDSACASA-N 1 0 354.403 1.217 20 10 FDCDRO CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(O)cc2O)[C@@H](CO)C1 ZINC001144504201 949715629 /nfs/dbraw/zinc/71/56/29/949715629.db2.gz NNEXPBWGQDUXME-LLVKDONJSA-N 1 0 354.403 1.217 20 10 FDCDRO O=C([C@H]1Cn2nccc2C[N@H+](Cc2c(O)cc(O)cc2O)C1)N1CCCC1 ZINC001144510409 949792329 /nfs/dbraw/zinc/79/23/29/949792329.db2.gz YLNLVLRDWVZJGO-CYBMUJFWSA-N 1 0 372.425 1.254 20 10 FDCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O ZINC001144514526 949802189 /nfs/dbraw/zinc/80/21/89/949802189.db2.gz JFUGHSQZCIJQMR-IUODEOHRSA-N 1 0 354.403 1.263 20 10 FDCDRO C[C@@H]1[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS1(=O)=O ZINC000775715300 971675548 /nfs/dbraw/zinc/67/55/48/971675548.db2.gz YXWVOWCGIMRAKN-JKSUJKDBSA-N 1 0 351.516 1.446 20 10 FDCDRO C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715298 971675853 /nfs/dbraw/zinc/67/58/53/971675853.db2.gz YXWVOWCGIMRAKN-HOTGVXAUSA-N 1 0 351.516 1.446 20 10 FDCDRO COC[C@]1(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000846176899 950650259 /nfs/dbraw/zinc/65/02/59/950650259.db2.gz JANNNGOKIKXSPS-LJQANCHMSA-N 1 0 364.490 1.541 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000846329219 950934007 /nfs/dbraw/zinc/93/40/07/950934007.db2.gz FBENERHXJHXHKS-MRXNPFEDSA-N 1 0 374.529 1.696 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846343172 950962220 /nfs/dbraw/zinc/96/22/20/950962220.db2.gz JMYRDBFSLPSAOK-UHFFFAOYSA-N 1 0 360.502 1.655 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000846697225 951464852 /nfs/dbraw/zinc/46/48/52/951464852.db2.gz MROGBZBXACUPKR-MQVJKMGUSA-N 1 0 359.470 1.405 20 10 FDCDRO O=C(c1cccc(O)c1O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001148213885 952648444 /nfs/dbraw/zinc/64/84/44/952648444.db2.gz MNBIKRSMXOHPIL-HOTGVXAUSA-N 1 0 369.421 1.608 20 10 FDCDRO COc1cc(C)nc(N(C(=O)c2cc(O)c(O)c(O)c2)C2CC[NH2+]CC2)n1 ZINC001148588072 952760072 /nfs/dbraw/zinc/76/00/72/952760072.db2.gz NJYXFWJUHPAFDJ-UHFFFAOYSA-N 1 0 374.397 1.309 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094249457 960183583 /nfs/dbraw/zinc/18/35/83/960183583.db2.gz BLGDOJXSLQQUJG-DGCLKSJQSA-N 1 0 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CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270754 974105974 /nfs/dbraw/zinc/10/59/74/974105974.db2.gz OCSRSYUHUKIVAS-HUUCEWRRSA-N 1 0 363.418 1.051 20 10 FDCDRO CCCn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000865433119 974293331 /nfs/dbraw/zinc/29/33/31/974293331.db2.gz FEDWSFFYIUAURQ-UHFFFAOYSA-N 1 0 358.490 1.609 20 10 FDCDRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)ccc3O)COCCN12 ZINC000865770285 974475932 /nfs/dbraw/zinc/47/59/32/974475932.db2.gz PWANMZQWASDTFV-CQSZACIVSA-N 1 0 357.204 1.466 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2CCC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000865926099 974574137 /nfs/dbraw/zinc/57/41/37/974574137.db2.gz QKYAOEVBXSYXJC-POZKEBTKSA-N 1 0 363.414 1.674 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@](C)(CC)CO)cc2F)CC1 ZINC000847453587 975644423 /nfs/dbraw/zinc/64/44/23/975644423.db2.gz BONYSHUFFIXMDS-IBGZPJMESA-N 1 0 351.466 1.992 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)cc2F)CC1 ZINC000847453516 975644741 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CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N1CCCC1=O ZINC000881851035 980212991 /nfs/dbraw/zinc/21/29/91/980212991.db2.gz BDZNMWJTXINFDH-FQEVSTJZSA-N 1 0 372.513 1.702 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSCCS3)cc2)CC1 ZINC000881851532 980213357 /nfs/dbraw/zinc/21/33/57/980213357.db2.gz VXCFWVQYFSFHJM-MRXNPFEDSA-N 1 0 351.541 1.903 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnn4ncccc34)cc2)CC1 ZINC000881851898 980214256 /nfs/dbraw/zinc/21/42/56/980214256.db2.gz DAFWCUBSEGXPIB-UHFFFAOYSA-N 1 0 350.426 1.411 20 10 FDCDRO COc1coc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1=O ZINC000881853942 980218478 /nfs/dbraw/zinc/21/84/78/980218478.db2.gz OYXARMGWIDNEMX-UHFFFAOYSA-N 1 0 357.410 1.330 20 10 FDCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000881855173 980220705 /nfs/dbraw/zinc/22/07/05/980220705.db2.gz QBCUAOWELGJXLH-IEBWSBKVSA-N 1 0 361.486 1.496 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3O4)cc2)CC1 ZINC000882662822 980802878 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ZINC000189352352 1002341673 /nfs/dbraw/zinc/34/16/73/1002341673.db2.gz MFRLTBIBYJJGRG-LPHOPBHVSA-N 1 0 361.486 1.701 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000933842559 1005646352 /nfs/dbraw/zinc/64/63/52/1005646352.db2.gz SHBIXDSPOHTOMG-UHFFFAOYSA-N 1 0 360.502 1.559 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)Cc3cccnc3)CC2)cc1 ZINC000934239669 1005718645 /nfs/dbraw/zinc/71/86/45/1005718645.db2.gz LRSQKFNTCZNUIL-KRWDZBQOSA-N 1 0 368.481 1.960 20 10 FDCDRO CC(C)[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934314850 1005731532 /nfs/dbraw/zinc/73/15/32/1005731532.db2.gz YDJWPQZIUYTMPB-YJBOKZPZSA-N 1 0 362.518 1.974 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000934313922 1005731664 /nfs/dbraw/zinc/73/16/64/1005731664.db2.gz NICRWVFZOBUQRO-SFHVURJKSA-N 1 0 372.469 1.723 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O ZINC000246469899 1007020998 /nfs/dbraw/zinc/02/09/98/1007020998.db2.gz QOYGDACOBSGAEU-PKOBYXMFSA-N 1 0 372.513 1.702 20 10 FDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000188095748 1007692158 /nfs/dbraw/zinc/69/21/58/1007692158.db2.gz IHKZADSCLNDJNG-CQSZACIVSA-N 1 0 366.481 1.878 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)N3CCC3)cc2F)CC1 ZINC000795823548 1008261386 /nfs/dbraw/zinc/26/13/86/1008261386.db2.gz KSRCYKKIBFWNRL-UHFFFAOYSA-N 1 0 356.467 1.008 20 10 FDCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779486710 1009637682 /nfs/dbraw/zinc/63/76/82/1009637682.db2.gz ZOJQBRPJUWLKQJ-YWEYNIOJSA-N 1 0 355.394 1.910 20 10 FDCDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000796510337 1017358794 /nfs/dbraw/zinc/35/87/94/1017358794.db2.gz NCDAMENONALDHL-GOSISDBHSA-N 1 0 367.515 1.427 20 10 FDCDRO CCN(C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1)S(C)(=O)=O ZINC000271076329 674305937 /nfs/dbraw/zinc/30/59/37/674305937.db2.gz HCFPJZUDUDNSAY-UHFFFAOYSA-N 1 0 372.487 1.655 20 10 FDCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000072981106 522440506 /nfs/dbraw/zinc/44/05/06/522440506.db2.gz LIRMKECVKUKNBV-IAGOWNOFSA-N 1 0 361.486 1.591 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)CCO)cc2F)CC1 ZINC000074134327 522687484 /nfs/dbraw/zinc/68/74/84/522687484.db2.gz PFDKCDUKWZAUFO-HNNXBMFYSA-N 1 0 366.481 1.785 20 10 FDCDRO COc1cccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1O ZINC000093142822 524957209 /nfs/dbraw/zinc/95/72/09/524957209.db2.gz RLSAUPWQLLDZKF-UHFFFAOYSA-N 1 0 361.486 1.777 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CC(=O)N(C)C)CC2)cc1 ZINC000102560441 525293592 /nfs/dbraw/zinc/29/35/92/525293592.db2.gz VKPDOWNCUOWHGF-QGZVFWFLSA-N 1 0 362.518 1.664 20 10 FDCDRO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000154019914 525395354 /nfs/dbraw/zinc/39/53/54/525395354.db2.gz SRJSCQXRHNGURP-CYBMUJFWSA-N 1 0 354.838 1.055 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000170741975 525696020 /nfs/dbraw/zinc/69/60/20/525696020.db2.gz YHWUIVPYCFTCAH-LJQANCHMSA-N 1 0 372.513 1.514 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCn1ccnc1C)cc2=O ZINC000130753189 525792418 /nfs/dbraw/zinc/79/24/18/525792418.db2.gz UXQWGQGOZBIKPT-UHFFFAOYSA-N 1 0 372.429 1.639 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000171211013 525899696 /nfs/dbraw/zinc/89/96/96/525899696.db2.gz CJGSARQYOFYBTA-UHFFFAOYSA-N 1 0 364.490 1.495 20 10 FDCDRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)Cc1ccccc1O ZINC000109770338 526180841 /nfs/dbraw/zinc/18/08/41/526180841.db2.gz SUEQADBVHMBBNI-HNNXBMFYSA-N 1 0 355.442 1.351 20 10 FDCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1O ZINC000187547141 536269112 /nfs/dbraw/zinc/26/91/12/536269112.db2.gz VDRHDUVEKDJUDJ-VIFPVBQESA-N 1 0 356.220 1.666 20 10 FDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285776955 537272585 /nfs/dbraw/zinc/27/25/85/537272585.db2.gz SPBPGWZCCJZUQR-KBXCAEBGSA-N 1 0 370.497 1.284 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H]1CCCC[C@H]1O)cc2=O ZINC000272574639 537301237 /nfs/dbraw/zinc/30/12/37/537301237.db2.gz RCHCNNLWGCQCLK-SWLSCSKDSA-N 1 0 362.430 1.595 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000298799812 537322753 /nfs/dbraw/zinc/32/27/53/537322753.db2.gz SJFPDITXSFYWTH-MRXNPFEDSA-N 1 0 361.486 1.931 20 10 FDCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000270535572 537351293 /nfs/dbraw/zinc/35/12/93/537351293.db2.gz BPYYYSITFNXCRX-UHFFFAOYSA-N 1 0 372.487 1.703 20 10 FDCDRO C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C[NH+]1CCCC1 ZINC000283893275 537389540 /nfs/dbraw/zinc/38/95/40/537389540.db2.gz OKOUPRJSMMKFEO-KRWDZBQOSA-N 1 0 372.513 1.751 20 10 FDCDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000360091528 537576710 /nfs/dbraw/zinc/57/67/10/537576710.db2.gz DGQQYRKBWYAYLD-QGZVFWFLSA-N 1 0 355.442 1.152 20 10 FDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363004784 537601694 /nfs/dbraw/zinc/60/16/94/537601694.db2.gz JXGYBPBLPWUGNY-QNFQMBCCSA-N 1 0 371.481 1.516 20 10 FDCDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000371224697 537781170 /nfs/dbraw/zinc/78/11/70/537781170.db2.gz AWOSLAXVAAIOFM-ROUUACIJSA-N 1 0 359.470 1.290 20 10 FDCDRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000367419934 537958984 /nfs/dbraw/zinc/95/89/84/537958984.db2.gz YFRSTIIPVVJYRP-LEWJYISDSA-N 1 0 359.514 1.944 20 10 FDCDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000377585610 537984046 /nfs/dbraw/zinc/98/40/46/537984046.db2.gz VBDCEXQFCCJNMF-KRWDZBQOSA-N 1 0 363.458 1.403 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C(N)=O)C2)C1 ZINC000562468354 546149057 /nfs/dbraw/zinc/14/90/57/546149057.db2.gz LPTQKOCXRIHYBK-HNNXBMFYSA-N 1 0 368.481 1.742 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000272516956 674453027 /nfs/dbraw/zinc/45/30/27/674453027.db2.gz YQHOQZGSLINJBM-KRWDZBQOSA-N 1 0 366.531 1.014 20 10 FDCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826263821 607846470 /nfs/dbraw/zinc/84/64/70/607846470.db2.gz RXZHKEWNWRCARB-UHFFFAOYSA-N 1 0 365.441 1.906 20 10 FDCDRO Cc1c(C(=O)NCCCSc2nccs2)nnn1C1CC[NH2+]CC1 ZINC000158522416 671980704 /nfs/dbraw/zinc/98/07/04/671980704.db2.gz SMAMRBVTPUHVBA-UHFFFAOYSA-N 1 0 366.516 1.880 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCOC3)cc2F)CC1 ZINC000265376054 672932551 /nfs/dbraw/zinc/93/25/51/672932551.db2.gz BHJAODRCXMVMRL-HNNXBMFYSA-N 1 0 371.478 1.176 20 10 FDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000297409689 676426018 /nfs/dbraw/zinc/42/60/18/676426018.db2.gz GGZGDXOWWLRNPD-INIZCTEOSA-N 1 0 367.515 1.425 20 10 FDCDRO CCC[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000363181731 676940055 /nfs/dbraw/zinc/94/00/55/676940055.db2.gz GSVIVVZYALNSME-UHFFFAOYSA-N 1 0 355.460 1.322 20 10 FDCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000370200802 677551865 /nfs/dbraw/zinc/55/18/65/677551865.db2.gz CZKTUUPLVBXGJV-NVXWUHKLSA-N 1 0 368.499 1.970 20 10 FDCDRO COC(=O)COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376945535 678411846 /nfs/dbraw/zinc/41/18/46/678411846.db2.gz OFHLHFNZAKCBOP-CQSZACIVSA-N 1 0 370.833 1.316 20 10 FDCDRO COC(=O)COc1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378278 774031132 /nfs/dbraw/zinc/03/11/32/774031132.db2.gz KNSOLWLLHFURNN-UHFFFAOYSA-N 1 0 356.422 1.973 20 10 FDCDRO COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n(C)n1 ZINC000891245507 774079773 /nfs/dbraw/zinc/07/97/73/774079773.db2.gz FMGDWKWUTSGUTI-KRWDZBQOSA-N 1 0 373.457 1.305 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2ncc3cccnc32)[NH+](C)C)cc1 ZINC000891246087 774084320 /nfs/dbraw/zinc/08/43/20/774084320.db2.gz LYDSIBXDJVEXOK-SFHVURJKSA-N 1 0 366.469 1.916 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3cncn3C2)[NH+](C)C)cc1 ZINC000891247082 774090871 /nfs/dbraw/zinc/09/08/71/774090871.db2.gz HEMUERWSRYLXFA-LPHOPBHVSA-N 1 0 355.486 1.931 20 10 FDCDRO CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251185 774128636 /nfs/dbraw/zinc/12/86/36/774128636.db2.gz ARENKZGIHQMSDL-IRXDYDNUSA-N 1 0 363.506 1.699 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ncc4c(n3)NC(=O)CO4)cc2)CC1 ZINC001167431402 774657521 /nfs/dbraw/zinc/65/75/21/774657521.db2.gz XWIKOEMAOIQKQF-UHFFFAOYSA-N 1 0 354.414 1.171 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000892732494 790955449 /nfs/dbraw/zinc/95/54/49/790955449.db2.gz RGMBVCIAMZCVNE-YQQAZPJKSA-N 1 0 352.500 1.997 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c(O)c1OC ZINC000893081715 792794268 /nfs/dbraw/zinc/79/42/68/792794268.db2.gz LMMXZTNMSRUAFI-CYBMUJFWSA-N 1 0 360.414 1.428 20 10 FDCDRO CC(C)(O)C[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000363987043 794841135 /nfs/dbraw/zinc/84/11/35/794841135.db2.gz QIDXFMYSFLRYSK-UHFFFAOYSA-N 1 0 364.402 1.209 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)cc1F ZINC000279067318 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1.930 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282879409 537343549 /nfs/dbraw/zinc/34/35/49/537343549.db2.gz YNLRTCSCRDZECV-UHFFFAOYSA-N 1 0 354.472 1.791 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000283830001 537388427 /nfs/dbraw/zinc/38/84/27/537388427.db2.gz LLTQYOZGIFXKRI-QGZVFWFLSA-N 1 0 374.529 1.949 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000284244663 537404315 /nfs/dbraw/zinc/40/43/15/537404315.db2.gz JZIRNNFMHQPWNO-MOPGFXCFSA-N 1 0 372.513 1.892 20 10 FDCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271264139 537414701 /nfs/dbraw/zinc/41/47/01/537414701.db2.gz HXGJWIRRABRRGK-UHFFFAOYSA-N 1 0 350.415 1.292 20 10 FDCDRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000284580232 537442203 /nfs/dbraw/zinc/44/22/03/537442203.db2.gz WLVPVPGLGGJATF-UHFFFAOYSA-N 1 0 370.497 1.670 20 10 FDCDRO COc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)cc(OC)c1OC ZINC000273543878 537463694 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CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1O ZINC000267429574 673302967 /nfs/dbraw/zinc/30/29/67/673302967.db2.gz CRSKFEXENRVXCQ-INIZCTEOSA-N 1 0 357.422 1.968 20 10 FDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285648171 675838520 /nfs/dbraw/zinc/83/85/20/675838520.db2.gz GONRJRIDYNXSSO-CYBMUJFWSA-N 1 0 352.454 1.354 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000285789792 675845473 /nfs/dbraw/zinc/84/54/73/675845473.db2.gz OOZYCNUQFYBGJB-CYBMUJFWSA-N 1 0 357.248 1.882 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[S@@](=O)CC)cc2F)CC1 ZINC000295047883 676398932 /nfs/dbraw/zinc/39/89/32/676398932.db2.gz JRYNEHCKHLNLSZ-DEOSSOPVSA-N 1 0 355.479 1.352 20 10 FDCDRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296380551 676418184 /nfs/dbraw/zinc/41/81/84/676418184.db2.gz JPQIIDJUURPARC-MAUKXSAKSA-N 1 0 352.500 1.877 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NOC(C)C)CC2)cc1 ZINC000297894169 676430633 /nfs/dbraw/zinc/43/06/33/676430633.db2.gz RWWAUDZMWKBKFI-UHFFFAOYSA-N 1 0 350.463 1.847 20 10 FDCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1O ZINC000367782355 677495653 /nfs/dbraw/zinc/49/56/53/677495653.db2.gz KGEAHJSDQNXYPU-AWEZNQCLSA-N 1 0 369.487 1.084 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1C ZINC000969438111 770192880 /nfs/dbraw/zinc/19/28/80/770192880.db2.gz YPLSWTXBBJUTJR-HLNWXESRSA-N 1 0 374.481 1.746 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCNC2=O)C1 ZINC000683496183 772026238 /nfs/dbraw/zinc/02/62/38/772026238.db2.gz DSDXVIADCOFBBA-IBGZPJMESA-N 1 0 368.481 1.755 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(F)n3)cc2)CC1 ZINC000891148094 773426217 /nfs/dbraw/zinc/42/62/17/773426217.db2.gz WWXDHJAHGCTIGX-UHFFFAOYSA-N 1 0 371.416 1.227 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[NH+](C)C)cc1 ZINC000891245503 774085293 /nfs/dbraw/zinc/08/52/93/774085293.db2.gz FKHJDMOCTHUIBR-FGTMMUONSA-N 1 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CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)s2)[NH+](C)C)cc1 ZINC000891255208 774155978 /nfs/dbraw/zinc/15/59/78/774155978.db2.gz NTKSIJAUPPJBKY-CQSZACIVSA-N 1 0 360.483 1.946 20 10 FDCDRO Cn1nnc(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cn2)n1 ZINC001167434465 774806847 /nfs/dbraw/zinc/80/68/47/774806847.db2.gz LGOYTXNTLCLJMY-UHFFFAOYSA-N 1 0 364.457 1.636 20 10 FDCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000891384719 776453162 /nfs/dbraw/zinc/45/31/62/776453162.db2.gz JMBMLAUTJYURIG-GXTWGEPZSA-N 1 0 350.438 1.418 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCn2cccn2)[NH+](C)C)cc1 ZINC000891789499 779425848 /nfs/dbraw/zinc/42/58/48/779425848.db2.gz MKUCRUGUQWXKFH-SFHVURJKSA-N 1 0 358.490 1.941 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC2)c(OC)c1 ZINC000892037584 781317168 /nfs/dbraw/zinc/31/71/68/781317168.db2.gz GPJPIPHAZNNXOV-HNNXBMFYSA-N 1 0 364.490 1.909 20 10 FDCDRO C[C@H](Cn1cncn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892567184 787345010 /nfs/dbraw/zinc/34/50/10/787345010.db2.gz CAFQHXQLBLNDQU-PBHICJAKSA-N 1 0 359.478 1.335 20 10 FDCDRO Cc1nccn1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892572859 787373010 /nfs/dbraw/zinc/37/30/10/787373010.db2.gz LLXQCHMHNOLPSJ-SFHVURJKSA-N 1 0 358.490 1.860 20 10 FDCDRO Cc1noc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000892629630 787849489 /nfs/dbraw/zinc/84/94/89/787849489.db2.gz CYNRGAUXPYWFAR-MRXNPFEDSA-N 1 0 360.462 1.589 20 10 FDCDRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC000893551002 806227704 /nfs/dbraw/zinc/22/77/04/806227704.db2.gz QKEIBDUDEFYKKO-UHFFFAOYSA-N 1 0 369.828 1.671 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H](COC)C1)cc2=O ZINC000363813872 794097084 /nfs/dbraw/zinc/09/70/84/794097084.db2.gz GCOJXPPRTZDOET-ZDUSSCGKSA-N 1 0 362.430 1.860 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000092434618 795371192 /nfs/dbraw/zinc/37/11/92/795371192.db2.gz OQCSDQBWPYTNJL-FQEVSTJZSA-N 1 0 372.513 1.885 20 10 FDCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c(O)c1OC ZINC000893359700 795906514 /nfs/dbraw/zinc/90/65/14/795906514.db2.gz CTNSPVRHTLPPPN-DGCLKSJQSA-N 1 0 358.460 1.217 20 10 FDCDRO COc1cc(N2CC[NH+](CCCNC(C)=O)CC2)cc(OC)c1OC ZINC000759885325 796014209 /nfs/dbraw/zinc/01/42/09/796014209.db2.gz CDMZRDJJGUSIPR-UHFFFAOYSA-N 1 0 351.447 1.361 20 10 FDCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@](C)(O)C[NH+](C)C)CCCC1 ZINC000651566316 800493086 /nfs/dbraw/zinc/49/30/86/800493086.db2.gz ZAEVCPLOVUKRMG-NRFANRHFSA-N 1 0 373.497 1.958 20 10 FDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(O)c1OC ZINC000893712362 809298490 /nfs/dbraw/zinc/29/84/90/809298490.db2.gz VZAUMTDTPOVYBI-LLVKDONJSA-N 1 0 362.348 1.910 20 10 FDCDRO COc1cc(C)cc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC000893938716 809822667 /nfs/dbraw/zinc/82/26/67/809822667.db2.gz AYAQXRIFGNELFG-UHFFFAOYSA-N 1 0 356.426 1.525 20 10 FDCDRO COC(=O)c1c(C[N@H+](C)CC(C)(CO)CO)c2cc(F)ccc2n1C ZINC000894033153 809871983 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000842154605 845042577 /nfs/dbraw/zinc/04/25/77/845042577.db2.gz UZIDRZIHYLXBAP-CGTJXYLNSA-N 1 0 358.486 1.263 20 10 FDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000842180480 845367424 /nfs/dbraw/zinc/36/74/24/845367424.db2.gz OQZWLZIXHGMKNZ-SJORKVTESA-N 1 0 358.486 1.659 20 10 FDCDRO CO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000899095395 845756393 /nfs/dbraw/zinc/75/63/93/845756393.db2.gz JCVNZKXIBPGLIP-IRXDYDNUSA-N 1 0 350.463 1.370 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H](O)[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000899097701 845759980 /nfs/dbraw/zinc/75/99/80/845759980.db2.gz FOTXJHNVXMRFFU-BZSNNMDCSA-N 1 0 364.490 1.194 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)[NH+](C)C)cc1 ZINC000899098651 845791802 /nfs/dbraw/zinc/79/18/02/845791802.db2.gz QPVBELLTJXBUFN-YIUJLJBFSA-N 1 0 364.515 1.270 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](O)(C(F)F)C2)[NH+](C)C)cc1 ZINC000899099290 845793594 /nfs/dbraw/zinc/79/35/94/845793594.db2.gz YKXZILVEZMLUHK-QAPCUYQASA-N 1 0 370.444 1.767 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H](n3cncn3)C2)[NH+](C)C)cc1 ZINC000899101174 845798541 /nfs/dbraw/zinc/79/85/41/845798541.db2.gz FRGDJDSBVSAZSU-ZWKOTPCHSA-N 1 0 371.489 1.603 20 10 FDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC[N@@H+]1C ZINC000899471845 846274337 /nfs/dbraw/zinc/27/43/37/846274337.db2.gz BGSOTCKGQRUAGW-RDTXWAMCSA-N 1 0 358.486 1.345 20 10 FDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000899473171 846276168 /nfs/dbraw/zinc/27/61/68/846276168.db2.gz ONDBZFNMMZSQFU-UHFFFAOYSA-N 1 0 358.486 1.346 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000905006770 851570367 /nfs/dbraw/zinc/57/03/67/851570367.db2.gz FETBMWLRANUBIH-NRFANRHFSA-N 1 0 372.513 1.846 20 10 FDCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1(O)CCCC1 ZINC000905283857 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FDCDRO Cc1cnc2c(cnn2CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911667941 858880685 /nfs/dbraw/zinc/88/06/85/858880685.db2.gz UUHHPKILDCJWPG-QGZVFWFLSA-N 1 0 352.442 1.622 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC[N@H+](C)CCO)c1 ZINC000912612537 859960298 /nfs/dbraw/zinc/96/02/98/859960298.db2.gz SKDIYSYQODZCSR-UHFFFAOYSA-N 1 0 357.454 1.903 20 10 FDCDRO Cc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000063723532 866165654 /nfs/dbraw/zinc/16/56/54/866165654.db2.gz GCFZLJKDGCUAFZ-UHFFFAOYSA-N 1 0 369.469 1.335 20 10 FDCDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC[N@@H+]1C ZINC000914291325 872242533 /nfs/dbraw/zinc/24/25/33/872242533.db2.gz JSRPWXXPBRTNNM-UWWQBHOKSA-N 1 0 373.501 1.280 20 10 FDCDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000262671109 883783324 /nfs/dbraw/zinc/78/33/24/883783324.db2.gz OGWFVNRXVIOJBJ-UHFFFAOYSA-N 1 0 354.454 1.419 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc4[nH]cnc43)cc2)CC1 ZINC000918856785 884961992 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10 FDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000746148419 927640206 /nfs/dbraw/zinc/64/02/06/927640206.db2.gz WTCZOKSZMNIYJR-JFIYKMOQSA-N 1 0 372.513 1.877 20 10 FDCDRO NC(=O)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000771054595 930403522 /nfs/dbraw/zinc/40/35/22/930403522.db2.gz AHCIZRJMPGNZHH-ZDUSSCGKSA-N 1 0 351.834 1.392 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@](C)(O)C(C)C)CC2)cc1 ZINC000771104493 930459082 /nfs/dbraw/zinc/45/90/82/930459082.db2.gz NGCMSJMOALSGRV-HXUWFJFHSA-N 1 0 363.502 1.731 20 10 FDCDRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000785985827 931699849 /nfs/dbraw/zinc/69/98/49/931699849.db2.gz RHJFKJVUHYCCNH-KRWDZBQOSA-N 1 0 362.451 1.834 20 10 FDCDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000786944045 932114145 /nfs/dbraw/zinc/11/41/45/932114145.db2.gz CVMZZIVRDBNYIX-ZDUSSCGKSA-N 1 0 356.463 1.748 20 10 FDCDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000787674467 932350477 /nfs/dbraw/zinc/35/04/77/932350477.db2.gz GPPITFJPQOYNBN-INIZCTEOSA-N 1 0 372.513 1.533 20 10 FDCDRO CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788911838 932877138 /nfs/dbraw/zinc/87/71/38/932877138.db2.gz RRFAYGAYRMAFEK-IBGZPJMESA-N 1 0 370.497 1.598 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000790192518 933406680 /nfs/dbraw/zinc/40/66/80/933406680.db2.gz VAYSRWUDQHUFOS-HNNXBMFYSA-N 1 0 360.502 1.525 20 10 FDCDRO C[C@@](O)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000804531741 938459970 /nfs/dbraw/zinc/45/99/70/938459970.db2.gz DLCCTCREGJYUTK-NRFANRHFSA-N 1 0 357.498 1.996 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000804820307 938586222 /nfs/dbraw/zinc/58/62/22/938586222.db2.gz FWINBKPLHJAPNB-OAHLLOKOSA-N 1 0 360.502 1.920 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1F ZINC000806635941 939993614 /nfs/dbraw/zinc/99/36/14/939993614.db2.gz XGLBAZIMRSWUDN-UHFFFAOYSA-N 1 0 352.454 1.490 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000807099771 940249045 /nfs/dbraw/zinc/24/90/45/940249045.db2.gz AUNQYPGNNAINDI-CRAIPNDOSA-N 1 0 360.502 1.476 20 10 FDCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000808427152 940544720 /nfs/dbraw/zinc/54/47/20/940544720.db2.gz KJKKISJQVJGJSO-OAHLLOKOSA-N 1 0 356.463 1.577 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cnnn3C)CC2)cc1 ZINC000809899064 940919334 /nfs/dbraw/zinc/91/93/34/940919334.db2.gz ZQAIUCCJLRCUKD-UHFFFAOYSA-N 1 0 373.461 1.158 20 10 FDCDRO CC[N@H+](C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)C[C@H](C)OC ZINC000812907475 941291295 /nfs/dbraw/zinc/29/12/95/941291295.db2.gz YIOVASKGZHEIJW-HKUYNNGSSA-N 1 0 365.518 1.535 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817706002 942900822 /nfs/dbraw/zinc/90/08/22/942900822.db2.gz MYSXTSBIUFAUAA-IBGZPJMESA-N 1 0 372.513 1.844 20 10 FDCDRO C[C@H](NC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000817833834 942996989 /nfs/dbraw/zinc/99/69/89/942996989.db2.gz PKFVJJNXDVCWPG-NXVRBGIVSA-N 1 0 360.502 1.919 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000817919860 943077213 /nfs/dbraw/zinc/07/72/13/943077213.db2.gz ZXKAPAYGQKCQNP-YTQUADARSA-N 1 0 372.513 1.687 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C2CC2)cc1 ZINC000817926260 943082582 /nfs/dbraw/zinc/08/25/82/943082582.db2.gz CKLNIHPJNUISDJ-OAQYLSRUSA-N 1 0 370.497 1.456 20 10 FDCDRO CC[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@H]1[NH3+] ZINC000817926336 943082976 /nfs/dbraw/zinc/08/29/76/943082976.db2.gz FQOICZGPNBMXLZ-VQIMIIECSA-N 1 0 372.513 1.829 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817946022 943090512 /nfs/dbraw/zinc/09/05/12/943090512.db2.gz QJLUNONITVWOIM-SECBINFHSA-N 1 0 360.227 1.376 20 10 FDCDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000817930950 943098358 /nfs/dbraw/zinc/09/83/58/943098358.db2.gz QCNXPGAONAGERP-GOSISDBHSA-N 1 0 374.529 1.948 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000817975122 943113309 /nfs/dbraw/zinc/11/33/09/943113309.db2.gz QUVNDVZRIYWUOT-HXUWFJFHSA-N 1 0 359.470 1.733 20 10 FDCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817989532 943123129 /nfs/dbraw/zinc/12/31/29/943123129.db2.gz NAMFDNIDMHQHQR-INIZCTEOSA-N 1 0 358.486 1.456 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000817991070 943126769 /nfs/dbraw/zinc/12/67/69/943126769.db2.gz JQTFBUQFDGABLG-HOTGVXAUSA-N 1 0 360.502 1.700 20 10 FDCDRO COC(=O)Cn1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000818222798 943200479 /nfs/dbraw/zinc/20/04/79/943200479.db2.gz WAJHWAOXOBHUEC-CQSZACIVSA-N 1 0 359.430 1.076 20 10 FDCDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000818637778 943315417 /nfs/dbraw/zinc/31/54/17/943315417.db2.gz IRDVKBSAAMRADK-UHFFFAOYSA-N 1 0 358.417 1.914 20 10 FDCDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000818647143 943317249 /nfs/dbraw/zinc/31/72/49/943317249.db2.gz VOAYWNICBRJQEK-IAGOWNOFSA-N 1 0 364.465 1.856 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000818656019 943319752 /nfs/dbraw/zinc/31/97/52/943319752.db2.gz VBDBZHZZGUSEAK-GPMSIDNRSA-N 1 0 358.486 1.915 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000818977485 943366525 /nfs/dbraw/zinc/36/65/25/943366525.db2.gz WYSGWYMLRBSPOJ-FXAWDEMLSA-N 1 0 374.529 1.004 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCCSC)CC2)cc1 ZINC000819085267 943413945 /nfs/dbraw/zinc/41/39/45/943413945.db2.gz JLITVXCLBTUIMG-QGZVFWFLSA-N 1 0 353.532 1.521 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)CCSC)CC2)cc1 ZINC000819088599 943414592 /nfs/dbraw/zinc/41/45/92/943414592.db2.gz USKDOOCBNYSGGT-WMZOPIPTSA-N 1 0 367.559 1.909 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CSC3(C)C)CC2)cc1 ZINC000819299428 943509278 /nfs/dbraw/zinc/50/92/78/943509278.db2.gz VAFMRHVFZUCWIS-WMZOPIPTSA-N 1 0 365.543 1.662 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3CCn4ccnc43)CC2)cc1 ZINC000819336520 943532430 /nfs/dbraw/zinc/53/24/30/943532430.db2.gz GVWVULRVMZKDBN-MJGOQNOKSA-N 1 0 371.485 1.109 20 10 FDCDRO CCC1(C[NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)COC1 ZINC000819354473 943539593 /nfs/dbraw/zinc/53/95/93/943539593.db2.gz GZXMHKXQQBYHMO-GOSISDBHSA-N 1 0 363.502 1.194 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000819369044 943560093 /nfs/dbraw/zinc/56/00/93/943560093.db2.gz RVRDXWLQMMVKCD-SOLBZPMBSA-N 1 0 365.543 1.662 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000824106222 946195714 /nfs/dbraw/zinc/19/57/14/946195714.db2.gz GKLGKJVXPTXFMH-BETUJISGSA-N 1 0 353.444 1.120 20 10 FDCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000824814394 946787075 /nfs/dbraw/zinc/78/70/75/946787075.db2.gz QYCFLJHQLICFRB-CYBMUJFWSA-N 1 0 356.488 1.951 20 10 FDCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825214760 947050618 /nfs/dbraw/zinc/05/06/18/947050618.db2.gz KIDQKEKZVONGSZ-UHFFFAOYSA-N 1 0 370.291 1.797 20 10 FDCDRO Cc1ccc(O)c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 ZINC000825284596 947109186 /nfs/dbraw/zinc/10/91/86/947109186.db2.gz SCGDDIGHAZAKHL-UHFFFAOYSA-N 1 0 368.430 1.998 20 10 FDCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1Cl ZINC000825375243 947201892 /nfs/dbraw/zinc/20/18/92/947201892.db2.gz KHFOQMOUAMMJDK-UHFFFAOYSA-N 1 0 355.847 1.817 20 10 FDCDRO C[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]C1 ZINC000844175988 947817682 /nfs/dbraw/zinc/81/76/82/947817682.db2.gz OIMUEKFCDYOYJS-JXFKEZNVSA-N 1 0 358.486 1.394 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000844190379 947826286 /nfs/dbraw/zinc/82/62/86/947826286.db2.gz LBONFOYCXQGSFJ-QFBILLFUSA-N 1 0 360.502 1.322 20 10 FDCDRO CCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000844218436 947846263 /nfs/dbraw/zinc/84/62/63/947846263.db2.gz AHEOSEGQKRCALM-GOSISDBHSA-N 1 0 360.502 1.418 20 10 FDCDRO COC(=O)/C=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001144103994 948239061 /nfs/dbraw/zinc/23/90/61/948239061.db2.gz TZBVYAGDBNSHOW-CMDGGOBGSA-N 1 0 361.442 1.053 20 10 FDCDRO COc1cc(N2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000857109021 971584852 /nfs/dbraw/zinc/58/48/52/971584852.db2.gz JUJYJEUHRPFYSA-ZDUSSCGKSA-N 1 0 366.462 1.281 20 10 FDCDRO COCCN1CCC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001144508646 949698843 /nfs/dbraw/zinc/69/88/43/949698843.db2.gz UAHLNJQVWMECDY-UHFFFAOYSA-N 1 0 350.415 1.264 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c1O ZINC000846142262 950622797 /nfs/dbraw/zinc/62/27/97/950622797.db2.gz ZHVGSVPFQNYRFA-GFCCVEGCSA-N 1 0 357.410 1.467 20 10 FDCDRO COC(=O)COc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000846663399 951447130 /nfs/dbraw/zinc/44/71/30/951447130.db2.gz HTRPIGJGEBUAIZ-SFHVURJKSA-N 1 0 371.437 1.734 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846931338 951701182 /nfs/dbraw/zinc/70/11/82/951701182.db2.gz ZIGQQMOUXSGOSX-LJQANCHMSA-N 1 0 372.513 1.605 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)Cc3ccccn3)cc2)CC1 ZINC001197838994 972461232 /nfs/dbraw/zinc/46/12/32/972461232.db2.gz XHMIASJBHOERHY-UHFFFAOYSA-N 1 0 360.483 1.453 20 10 FDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cccc(I)c2O)C1 ZINC001206444779 960646836 /nfs/dbraw/zinc/64/68/36/960646836.db2.gz KRIHQFPMQRCVRW-VHSXEESVSA-N 1 0 350.175 1.868 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC2)c(OC)c1 ZINC001172019237 961407373 /nfs/dbraw/zinc/40/73/73/961407373.db2.gz KBCZZODWPIBOBF-MRXNPFEDSA-N 1 0 359.470 1.979 20 10 FDCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172019883 961408035 /nfs/dbraw/zinc/40/80/35/961408035.db2.gz TYDNENXWMWESDR-LJQANCHMSA-N 1 0 373.497 1.987 20 10 FDCDRO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC000773408078 962943402 /nfs/dbraw/zinc/94/34/02/962943402.db2.gz PHMFOTOWKGOKSW-HUUCEWRRSA-N 1 0 365.861 1.605 20 10 FDCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1ccccn1 ZINC000773528749 963302182 /nfs/dbraw/zinc/30/21/82/963302182.db2.gz GVHOFMMIVAEVNN-KRWDZBQOSA-N 1 0 353.470 1.609 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000773739363 964183588 /nfs/dbraw/zinc/18/35/88/964183588.db2.gz GCUQDWHZUMJBLL-VFNWGFHPSA-N 1 0 370.449 1.782 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000852586367 967447988 /nfs/dbraw/zinc/44/79/88/967447988.db2.gz QLJYUVMMAHCBST-QZTJIDSGSA-N 1 0 359.470 1.237 20 10 FDCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265958717 967528633 /nfs/dbraw/zinc/52/86/33/967528633.db2.gz WQIOWLGYTAHFDY-SFHVURJKSA-N 1 0 371.485 1.202 20 10 FDCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852695893 967538255 /nfs/dbraw/zinc/53/82/55/967538255.db2.gz PJINMQRDBQZCCE-GOSISDBHSA-N 1 0 374.529 1.948 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC)cc2=O ZINC000852756108 967581828 /nfs/dbraw/zinc/58/18/28/967581828.db2.gz UKENPLQQSLUKGL-WCQYABFASA-N 1 0 362.386 1.043 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(Cn3ccnn3)c2)cc1 ZINC000852791042 967609137 /nfs/dbraw/zinc/60/91/37/967609137.db2.gz CIAOVXIKJZEDNW-IBGZPJMESA-N 1 0 364.453 1.822 20 10 FDCDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775361724 967615104 /nfs/dbraw/zinc/61/51/04/967615104.db2.gz CSSNIIDKLACGCM-STQMWFEESA-N 1 0 364.442 1.852 20 10 FDCDRO O=C(NCCCSc1nccs1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000852841326 967649609 /nfs/dbraw/zinc/64/96/09/967649609.db2.gz YZIAUVKCHCELJH-GFCCVEGCSA-N 1 0 366.516 1.961 20 10 FDCDRO [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)=NO1 ZINC000852870331 967676750 /nfs/dbraw/zinc/67/67/50/967676750.db2.gz SPDCNZXCGYXCSR-BXUZGUMPSA-N 1 0 368.384 1.477 20 10 FDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845438 968545415 /nfs/dbraw/zinc/54/54/15/968545415.db2.gz CFJGRBUOLSDCPM-SFHVURJKSA-N 1 0 360.502 1.979 20 10 FDCDRO COc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc(O)c1O ZINC001193096377 969500918 /nfs/dbraw/zinc/50/09/18/969500918.db2.gz RPNFIEBADZTFNJ-UHFFFAOYSA-N 1 0 372.421 1.943 20 10 FDCDRO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]c1=O ZINC000775831750 972925007 /nfs/dbraw/zinc/92/50/07/972925007.db2.gz UGJYKNGAMPECFE-NSHDSACASA-N 1 0 359.430 1.151 20 10 FDCDRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(N)cc1 ZINC000863558330 973015398 /nfs/dbraw/zinc/01/53/98/973015398.db2.gz FWNLIOBFKUABHB-UHFFFAOYSA-N 1 0 360.502 1.856 20 10 FDCDRO CCOCc1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)ccc1OC ZINC000865769276 974473479 /nfs/dbraw/zinc/47/34/79/974473479.db2.gz VPSRHZYBTJEOJJ-SFHVURJKSA-N 1 0 350.415 1.543 20 10 FDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]23COCCN2C(=O)COC3)c2c1c(F)ccc2O ZINC000866554134 975781706 /nfs/dbraw/zinc/78/17/06/975781706.db2.gz PRKSYZBDXZYIEV-AEDCBLDQSA-N 1 0 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CC(=O)c1cc(Cl)cc(Cn2cc(CN3CC[NH+](C)CC3)nn2)c1O ZINC000881000004 979569977 /nfs/dbraw/zinc/56/99/77/979569977.db2.gz XTFIFJXLHVDXIQ-UHFFFAOYSA-N 1 0 363.849 1.635 20 10 FDCDRO COCC[N@H+]1[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000128813645 979692861 /nfs/dbraw/zinc/69/28/61/979692861.db2.gz BZENGPGLWMCDCN-CALCHBBNSA-N 1 0 362.518 1.410 20 10 FDCDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849523 980210075 /nfs/dbraw/zinc/21/00/75/980210075.db2.gz FAYNSLNSMRHOHW-OAHLLOKOSA-N 1 0 370.453 1.466 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000881849638 980210318 /nfs/dbraw/zinc/21/03/18/980210318.db2.gz HJPKRXDJJHKOHV-INIZCTEOSA-N 1 0 356.470 1.066 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CSc3nncs3)cc2)CC1 ZINC000881850308 980210895 /nfs/dbraw/zinc/21/08/95/980210895.db2.gz QNGFHCUMIXMURK-UHFFFAOYSA-N 1 0 363.512 1.698 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)CC3CCCC3)cc2)CC1 ZINC000881851969 980214569 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COc1c([O-])c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278929777 537343212 /nfs/dbraw/zinc/34/32/12/537343212.db2.gz VZPZUMYLVPJYOQ-ZDUSSCGKSA-N 1 0 352.435 1.282 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](OC)C3CC3)CC2)cc1 ZINC000279584166 537350750 /nfs/dbraw/zinc/35/07/50/537350750.db2.gz CSTNYPHTZJLWEF-LJQANCHMSA-N 1 0 361.486 1.749 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1O ZINC000363909821 537362781 /nfs/dbraw/zinc/36/27/81/537362781.db2.gz SIGJHMIXLJBHIB-KRWDZBQOSA-N 1 0 367.833 1.864 20 10 FDCDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[N@@H+]1C1CC1 ZINC000288584258 537520538 /nfs/dbraw/zinc/52/05/38/537520538.db2.gz ORUGPXMMTGRAAK-DOTOQJQBSA-N 1 0 368.481 1.420 20 10 FDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363004787 537602306 /nfs/dbraw/zinc/60/23/06/537602306.db2.gz JXGYBPBLPWUGNY-ZLNADXECSA-N 1 0 371.481 1.516 20 10 FDCDRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000237199640 537616898 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20 10 FDCDRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000365432822 568666465 /nfs/dbraw/zinc/66/64/65/568666465.db2.gz ODELIFKJKGOAOH-OYLFLEFRSA-N 1 0 351.516 1.411 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000271965301 674400483 /nfs/dbraw/zinc/40/04/83/674400483.db2.gz GRCLNFQTIZSWHI-YOEHRIQHSA-N 1 0 356.463 1.718 20 10 FDCDRO C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1=CC[N@H+](C)CC1 ZINC000272759185 674473071 /nfs/dbraw/zinc/47/30/71/674473071.db2.gz FTQSCSDCCDEOQN-LLVKDONJSA-N 1 0 353.444 1.144 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000106583463 671607393 /nfs/dbraw/zinc/60/73/93/671607393.db2.gz CUTYJTAJHOEJQO-ZIAGYGMSSA-N 1 0 350.463 1.397 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000106583457 671607546 /nfs/dbraw/zinc/60/75/46/671607546.db2.gz CUTYJTAJHOEJQO-KBPBESRZSA-N 1 0 350.463 1.397 20 10 FDCDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000152597055 671885953 /nfs/dbraw/zinc/88/59/53/671885953.db2.gz POEXDRIKSLZDMI-UHFFFAOYSA-N 1 0 358.533 1.723 20 10 FDCDRO CCOC1CC(C[NH2+]Cc2cccc(OC)c2O)(N2CCOCC2)C1 ZINC000195460133 672406311 /nfs/dbraw/zinc/40/63/11/672406311.db2.gz BRWPFFGLHOGTHR-UHFFFAOYSA-N 1 0 350.459 1.760 20 10 FDCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000284155189 675673109 /nfs/dbraw/zinc/67/31/09/675673109.db2.gz PSUQUXIZJYOCQE-HOTGVXAUSA-N 1 0 352.500 1.999 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000301939563 676540685 /nfs/dbraw/zinc/54/06/85/676540685.db2.gz TVFYYBHWQJMSRK-ZDUSSCGKSA-N 1 0 351.403 1.771 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000363369913 676950070 /nfs/dbraw/zinc/95/00/70/676950070.db2.gz WSTKDLPSCITMAL-ZDUSSCGKSA-N 1 0 367.471 1.510 20 10 FDCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000370779545 677613840 /nfs/dbraw/zinc/61/38/40/677613840.db2.gz LDOGIMWUNPCVGA-HNNXBMFYSA-N 1 0 355.385 1.361 20 10 FDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1O ZINC000375916671 678196118 /nfs/dbraw/zinc/19/61/18/678196118.db2.gz NPSNNDIGYDPVMF-HNNXBMFYSA-N 1 0 355.232 1.875 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891243515 774058195 /nfs/dbraw/zinc/05/81/95/774058195.db2.gz PCTQYOAZWNJNSD-RTBURBONSA-N 1 0 372.513 1.873 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000891246542 774089750 /nfs/dbraw/zinc/08/97/50/774089750.db2.gz OZVBRTGAXCNVME-KRWDZBQOSA-N 1 0 361.490 1.277 20 10 FDCDRO CCn1cc(C(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891253109 774139879 /nfs/dbraw/zinc/13/98/79/774139879.db2.gz QOGQYJPMKPIZPA-QGZVFWFLSA-N 1 0 357.458 1.571 20 10 FDCDRO CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891253399 774143540 /nfs/dbraw/zinc/14/35/40/774143540.db2.gz SCAMXOUFIJEXNS-ICSRJNTNSA-N 1 0 360.502 1.730 20 10 FDCDRO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254984 774152526 /nfs/dbraw/zinc/15/25/26/774152526.db2.gz LRYBNFMEVTUFKF-MOPGFXCFSA-N 1 0 360.502 1.873 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)cn4nc(N)nc34)cc2)CC1 ZINC001167434344 774809602 /nfs/dbraw/zinc/80/96/02/774809602.db2.gz KHPKJIWNZFNMMR-UHFFFAOYSA-N 1 0 355.421 1.815 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891386583 776514966 /nfs/dbraw/zinc/51/49/66/776514966.db2.gz XSNPAWAJSLWMOK-PKOBYXMFSA-N 1 0 362.449 1.746 20 10 FDCDRO COc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(O)c1OC ZINC000891405824 776909750 /nfs/dbraw/zinc/90/97/50/776909750.db2.gz UIACXDMUXBCONK-GFCCVEGCSA-N 1 0 358.460 1.171 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCCN1C1CCCC1 ZINC000276590416 778311752 /nfs/dbraw/zinc/31/17/52/778311752.db2.gz NBDARWBPMGMZLE-FQEVSTJZSA-N 1 0 373.497 1.783 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025984 780625791 /nfs/dbraw/zinc/62/57/91/780625791.db2.gz IMYXLKUCWQCGND-LZWOXQAQSA-N 1 0 365.449 1.122 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)c(OC)c1 ZINC000892290692 783525262 /nfs/dbraw/zinc/52/52/62/783525262.db2.gz KVAGPWYANIWCEY-GJZGRUSLSA-N 1 0 362.474 1.676 20 10 FDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C ZINC001024160563 784096840 /nfs/dbraw/zinc/09/68/40/784096840.db2.gz XYHTVMJRMNKYNY-ZACQAIPSSA-N 1 0 359.470 1.453 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893053630 792669876 /nfs/dbraw/zinc/66/98/76/792669876.db2.gz OSVMBVPDOIDPCY-RBUKOAKNSA-N 1 0 360.502 1.802 20 10 FDCDRO CCCCn1c(N)c(N(C)Cc2cccc3c2CC[NH2+]C3)c(=O)[nH]c1=O ZINC000662277079 806379598 /nfs/dbraw/zinc/37/95/98/806379598.db2.gz NOVORAZXRFQSDB-UHFFFAOYSA-N 1 0 357.458 1.613 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3cn[nH]c3)CC1)cc2=O ZINC000364428306 795974046 /nfs/dbraw/zinc/97/40/46/795974046.db2.gz YFQXEHWPQZZBSZ-UHFFFAOYSA-N 1 0 370.413 1.714 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[NH+](C)C)cc1 ZINC000893461894 804034531 /nfs/dbraw/zinc/03/45/31/804034531.db2.gz ADYRAMFMHDGQFG-QAPCUYQASA-N 1 0 373.501 1.418 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC[C@H](C)O)cc2F)CC1 ZINC000279338463 808936204 /nfs/dbraw/zinc/93/62/04/808936204.db2.gz BQMDTQJPNQPMHB-HNNXBMFYSA-N 1 0 366.481 1.928 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419700893 812115908 /nfs/dbraw/zinc/11/59/08/812115908.db2.gz ABICLKWTJVRBOF-GOSISDBHSA-N 1 0 370.497 1.997 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(=O)N(C)C)C1 ZINC000435644699 816119148 /nfs/dbraw/zinc/11/91/48/816119148.db2.gz JRHNNXPOEJOTJC-UHFFFAOYSA-N 1 0 356.470 1.612 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NOC[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000894372517 817832882 /nfs/dbraw/zinc/83/28/82/817832882.db2.gz KIUWCJVVMXCBGG-YOEHRIQHSA-N 1 0 350.463 1.623 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894644849 818279746 /nfs/dbraw/zinc/27/97/46/818279746.db2.gz ZIEBUHYORBCOEW-OLZOCXBDSA-N 1 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O=C(NCc1cc(Br)ccc1O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005406 840628833 /nfs/dbraw/zinc/62/88/33/840628833.db2.gz SVTRLMISYANJNT-LLVKDONJSA-N 1 0 364.190 1.951 20 10 FDCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)N(C)C)cc1 ZINC000898451322 844699197 /nfs/dbraw/zinc/69/91/97/844699197.db2.gz XQORWEZGTMFYAK-GOSISDBHSA-N 1 0 368.547 1.369 20 10 FDCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC000842149767 845004163 /nfs/dbraw/zinc/00/41/63/845004163.db2.gz DUGXYTUOTMCURR-QGZVFWFLSA-N 1 0 372.513 1.892 20 10 FDCDRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000842171170 845281362 /nfs/dbraw/zinc/28/13/62/845281362.db2.gz PLXSJPMVFVMJTI-SFHVURJKSA-N 1 0 356.470 1.313 20 10 FDCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000842180650 845367092 /nfs/dbraw/zinc/36/70/92/845367092.db2.gz OICVLEJMWOFIIA-STQMWFEESA-N 1 0 358.533 1.722 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000842229824 845768491 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FDCDRO CNS(=O)(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000922188772 873591442 /nfs/dbraw/zinc/59/14/42/873591442.db2.gz DXZDBFMRLAEPCJ-UHFFFAOYSA-N 1 0 374.510 1.959 20 10 FDCDRO COC[C@@](C)(O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982048 874922950 /nfs/dbraw/zinc/92/29/50/874922950.db2.gz QRUMPTCBAQHGEZ-WMLDXEAASA-N 1 0 356.850 1.524 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000763034417 877602126 /nfs/dbraw/zinc/60/21/26/877602126.db2.gz GYNAWFIFEAQKNO-LJQANCHMSA-N 1 0 362.474 1.030 20 10 FDCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CS(C)(=O)=O ZINC000922734770 879145621 /nfs/dbraw/zinc/14/56/21/879145621.db2.gz SXHLFNZQSWHBGG-UHFFFAOYSA-N 1 0 354.516 1.808 20 10 FDCDRO NC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)nc1 ZINC000917434602 883423758 /nfs/dbraw/zinc/42/37/58/883423758.db2.gz TULFSFXGVYHBJZ-UHFFFAOYSA-N 1 0 363.421 1.757 20 10 FDCDRO Oc1cc2c(cc1C[NH2+]C[C@]1(O)CCN(Cc3ccccc3)C1)OCO2 ZINC000702604388 884098638 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NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2O)cc1 ZINC001078253912 898535113 /nfs/dbraw/zinc/53/51/13/898535113.db2.gz YTGOXCRLNQEEMA-HZPDHXFCSA-N 1 0 359.430 1.814 20 10 FDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000073021418 901060206 /nfs/dbraw/zinc/06/02/06/901060206.db2.gz PVHJUOWPEFHASQ-PMACEKPBSA-N 1 0 364.486 1.512 20 10 FDCDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000764905072 905950582 /nfs/dbraw/zinc/95/05/82/905950582.db2.gz PSHYXRWTXZLUML-AWEZNQCLSA-N 1 0 373.494 1.594 20 10 FDCDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)([NH+](C)C)C1 ZINC000785438353 908316665 /nfs/dbraw/zinc/31/66/65/908316665.db2.gz CMHZXZSXOGGQIC-HRAATJIYSA-N 1 0 374.529 1.996 20 10 FDCDRO CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732452477 919597109 /nfs/dbraw/zinc/59/71/09/919597109.db2.gz CELUSAIMDDILMC-LJQANCHMSA-N 1 0 358.486 1.901 20 10 FDCDRO CNC(=O)Cn1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000771866784 930935070 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CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000790192584 933407178 /nfs/dbraw/zinc/40/71/78/933407178.db2.gz WVBDXFGJJBLIAP-MRXNPFEDSA-N 1 0 361.486 1.979 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790265703 933454851 /nfs/dbraw/zinc/45/48/51/933454851.db2.gz UQFIXHMUTYRCNQ-ROUUACIJSA-N 1 0 358.486 1.420 20 10 FDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000793792641 934276044 /nfs/dbraw/zinc/27/60/44/934276044.db2.gz HIRWEDAPRGEBKZ-MRXNPFEDSA-N 1 0 358.486 1.526 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ocnc3C)CC2)cc1 ZINC000747349232 940042490 /nfs/dbraw/zinc/04/24/90/940042490.db2.gz BKBKWOHXYOZCMV-UHFFFAOYSA-N 1 0 358.442 1.934 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000807100643 940249757 /nfs/dbraw/zinc/24/97/57/940249757.db2.gz MLJFPPPNCVWOGL-GOEBONIOSA-N 1 0 358.486 1.419 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000807677424 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FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000844223872 947857506 /nfs/dbraw/zinc/85/75/06/947857506.db2.gz JAICRBUEYAUFDV-LJQANCHMSA-N 1 0 353.470 1.410 20 10 FDCDRO CC[NH+]1CCC(NC(=O)CN(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844400063 948029086 /nfs/dbraw/zinc/02/90/86/948029086.db2.gz URVUMHGBKQCRMH-UHFFFAOYSA-N 1 0 362.518 1.664 20 10 FDCDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844380319 948038950 /nfs/dbraw/zinc/03/89/50/948038950.db2.gz RVPOWVYBSJUONY-APWZRJJASA-N 1 0 363.502 1.731 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001144508781 949780611 /nfs/dbraw/zinc/78/06/11/949780611.db2.gz YAWQIMCZAUYJPK-WBVHZDCISA-N 1 0 371.437 1.674 20 10 FDCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1CCO ZINC001144514993 949804187 /nfs/dbraw/zinc/80/41/87/949804187.db2.gz AIZYDNQSZGVKLI-LBPRGKRZSA-N 1 0 368.430 1.607 20 10 FDCDRO O=C(COC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1)N1CCCC1 ZINC001144516387 949807334 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KXNXMBUUKQGFLJ-OAHLLOKOSA-N 1 0 369.469 1.378 20 10 FDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000852883102 967686981 /nfs/dbraw/zinc/68/69/81/967686981.db2.gz AISWSDUOFQCPDI-QWHCGFSZSA-N 1 0 359.430 1.798 20 10 FDCDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000852915848 967705223 /nfs/dbraw/zinc/70/52/23/967705223.db2.gz OKEOJBVHBCBOTH-OAHLLOKOSA-N 1 0 363.458 1.096 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N(C)CCC[NH3+] ZINC000852918702 967707946 /nfs/dbraw/zinc/70/79/46/967707946.db2.gz FNHQSVMOPQMRQO-UHFFFAOYSA-N 1 0 372.263 1.310 20 10 FDCDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(O)c1O ZINC000776638096 967783243 /nfs/dbraw/zinc/78/32/43/967783243.db2.gz KNNOGDGCUHBZKA-AWEZNQCLSA-N 1 0 364.442 1.978 20 10 FDCDRO CCc1nc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1 ZINC000775390696 967895968 /nfs/dbraw/zinc/89/59/68/967895968.db2.gz RTEARVBYJKFBOT-UHFFFAOYSA-N 1 0 361.421 1.843 20 10 FDCDRO CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(Br)ccc1O 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MEYYZKOUXPBVMR-MELADBBJSA-N 1 0 352.454 1.846 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)cc2)C1 ZINC000851654945 978985888 /nfs/dbraw/zinc/98/58/88/978985888.db2.gz KOXUCTKFPOMYBJ-LFDOHDQPSA-N 1 0 371.485 1.021 20 10 FDCDRO C[C@@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC[NH2+]C1 ZINC000851663466 978988991 /nfs/dbraw/zinc/98/89/91/978988991.db2.gz ZXQFFDNBAJMLCM-HXUWFJFHSA-N 1 0 360.502 1.837 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000851666803 978990054 /nfs/dbraw/zinc/99/00/54/978990054.db2.gz KOBIFAKYRMWPHH-DOMZBBRYSA-N 1 0 354.401 1.570 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000851681365 978995370 /nfs/dbraw/zinc/99/53/70/978995370.db2.gz NPMCIDLBQGPZSX-OAQYLSRUSA-N 1 0 372.513 1.933 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000851682994 978996049 /nfs/dbraw/zinc/99/60/49/978996049.db2.gz ZJCQBIWGMSQFAP-UHFFFAOYSA-N 1 0 372.513 1.933 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC2([NH3+])CCCC2)C2CC2)cc1 ZINC000851689268 978999896 /nfs/dbraw/zinc/99/98/96/978999896.db2.gz LLUNBNINOYHNDR-UHFFFAOYSA-N 1 0 358.486 1.631 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1 ZINC000851732682 979020646 /nfs/dbraw/zinc/02/06/46/979020646.db2.gz ANLBZDWYRWTEMR-NRFANRHFSA-N 1 0 369.465 1.580 20 10 FDCDRO CCOCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000128557028 979374879 /nfs/dbraw/zinc/37/48/79/979374879.db2.gz SBKVOYKHHKZJGW-KRWDZBQOSA-N 1 0 363.502 1.886 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4nncn4CC3)cc2)CC1 ZINC000881850253 980210803 /nfs/dbraw/zinc/21/08/03/980210803.db2.gz ZULNSRBAZKDFOB-QGZVFWFLSA-N 1 0 368.485 1.299 20 10 FDCDRO Cc1noc(CCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881850618 980211776 /nfs/dbraw/zinc/21/17/76/980211776.db2.gz ZTVOVUHZAYEDFM-UHFFFAOYSA-N 1 0 357.458 1.769 20 10 FDCDRO COC(=O)c1coc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851887 980214639 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O=S1(=O)C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])Oc2ccccc21 ZINC000883151899 981982471 /nfs/dbraw/zinc/98/24/71/981982471.db2.gz BQALEIJHPWLWMM-LBPRGKRZSA-N 1 0 355.362 1.995 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)ccc1O ZINC000883370559 982098692 /nfs/dbraw/zinc/09/86/92/982098692.db2.gz NUXAGTKFDWHWJL-NVXWUHKLSA-N 1 0 351.466 1.979 20 10 FDCDRO C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883694038 982383039 /nfs/dbraw/zinc/38/30/39/982383039.db2.gz RIMGNIGYSMITTQ-FUHWJXTLSA-N 1 0 360.502 1.910 20 10 FDCDRO CCc1nc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)co1 ZINC000883729944 982422127 /nfs/dbraw/zinc/42/21/27/982422127.db2.gz DXQYLJVPCJZAIQ-UHFFFAOYSA-N 1 0 357.458 1.988 20 10 FDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ncnn21 ZINC000883769838 982456541 /nfs/dbraw/zinc/45/65/41/982456541.db2.gz CWSIVHPMEPTQIG-WMLDXEAASA-N 1 0 369.473 1.535 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884223244 982997374 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FDCDRO Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1O ZINC000862466486 984395994 /nfs/dbraw/zinc/39/59/94/984395994.db2.gz ZFNUXGGFYHTVEK-AWEZNQCLSA-N 1 0 370.291 1.893 20 10 FDCDRO CCNC(=O)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122254098 984547747 /nfs/dbraw/zinc/54/77/47/984547747.db2.gz AWFKSACNKUTELS-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000884655400 984662025 /nfs/dbraw/zinc/66/20/25/984662025.db2.gz XCYCZKKVWQUWAH-WBVHZDCISA-N 1 0 358.486 1.487 20 10 FDCDRO Cn1cc(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000122349459 984697727 /nfs/dbraw/zinc/69/77/27/984697727.db2.gz DNGNICAZGHHIKR-UHFFFAOYSA-N 1 0 367.497 1.811 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000884970600 985018865 /nfs/dbraw/zinc/01/88/65/985018865.db2.gz NXCBWENSYLOEDP-INIZCTEOSA-N 1 0 360.502 1.605 20 10 FDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000886525940 986336556 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FDCDRO CC[C@@H](C)[NH+]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000296162251 988998990 /nfs/dbraw/zinc/99/89/90/988998990.db2.gz SXCUWJWCOYUITB-GOSISDBHSA-N 1 0 374.529 1.760 20 10 FDCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000363489123 989242017 /nfs/dbraw/zinc/24/20/17/989242017.db2.gz MZORUAXTDFUBPF-VQTJNVASSA-N 1 0 372.513 1.844 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000297792582 989695353 /nfs/dbraw/zinc/69/53/53/989695353.db2.gz KOUHWUQZERJYOO-AEFFLSMTSA-N 1 0 358.486 1.264 20 10 FDCDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000874102649 989750283 /nfs/dbraw/zinc/75/02/83/989750283.db2.gz HNTFIZMPCMPDJJ-UHFFFAOYSA-N 1 0 353.422 1.977 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000297913393 989771656 /nfs/dbraw/zinc/77/16/56/989771656.db2.gz SNRHRCMWOBEXSO-UHFFFAOYSA-N 1 0 360.502 1.511 20 10 FDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297940578 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ZINC000895117112 820498755 /nfs/dbraw/zinc/49/87/55/820498755.db2.gz ZXXXFIISLXRFSV-MRXNPFEDSA-N 1 0 371.489 1.850 20 10 FDCDRO CON1CCC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000895424500 822596486 /nfs/dbraw/zinc/59/64/86/822596486.db2.gz FDOSYUFDORRCEU-SFHVURJKSA-N 1 0 363.506 1.680 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000895436784 822598087 /nfs/dbraw/zinc/59/80/87/822598087.db2.gz RFJFCEPDEBRFJT-ZACQAIPSSA-N 1 0 358.486 1.725 20 10 FDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280863003 822743551 /nfs/dbraw/zinc/74/35/51/822743551.db2.gz CHGHBIQKZQREAZ-NEPJUHHUSA-N 1 0 372.425 1.387 20 10 FDCDRO C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000895894633 823732004 /nfs/dbraw/zinc/73/20/04/823732004.db2.gz MRJOERQIOWGXLO-BEFAXECRSA-N 1 0 359.470 1.421 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)cc1 ZINC000896088089 824013699 /nfs/dbraw/zinc/01/36/99/824013699.db2.gz PBDAOLNPHNPYMN-UHFFFAOYSA-N 1 0 373.497 1.891 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896538031 824515046 /nfs/dbraw/zinc/51/50/46/824515046.db2.gz RBINYQFSVFLZRK-DJIMGWMZSA-N 1 0 362.474 1.464 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN(C)CCC[NH+]1CCCC1)cc2=O ZINC000281507611 825968413 /nfs/dbraw/zinc/96/84/13/825968413.db2.gz YNLVGBOMEYJGKD-UHFFFAOYSA-N 1 0 361.446 1.529 20 10 FDCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000840825096 827068961 /nfs/dbraw/zinc/06/89/61/827068961.db2.gz RYJJXKWXICWTRL-AWEZNQCLSA-N 1 0 365.449 1.608 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCO[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000897200491 827146005 /nfs/dbraw/zinc/14/60/05/827146005.db2.gz WNNDQYHZZXYGMO-ZDUSSCGKSA-N 1 0 350.390 1.999 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841651769 833225274 /nfs/dbraw/zinc/22/52/74/833225274.db2.gz ALNRUYGDGCICIW-OAHLLOKOSA-N 1 0 373.423 1.388 20 10 FDCDRO COc1cc(I)cc(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204808352 829918120 /nfs/dbraw/zinc/91/81/20/829918120.db2.gz AWLBEXQCLZBPNX-ZDUSSCGKSA-N 1 0 362.211 1.929 20 10 FDCDRO COc1cc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1OC ZINC000529644073 829964962 /nfs/dbraw/zinc/96/49/62/829964962.db2.gz MULROEQAQIKXAO-IBGZPJMESA-N 1 0 366.458 1.115 20 10 FDCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000697289301 832024785 /nfs/dbraw/zinc/02/47/85/832024785.db2.gz HHMXUJHQXQORGK-PWSUYJOCSA-N 1 0 350.234 1.056 20 10 FDCDRO CN(C)c1ccc([C@@H](CNc2nc(N)nc3c2cnn3C)[NH+](C)C)cc1 ZINC000897523340 836113142 /nfs/dbraw/zinc/11/31/42/836113142.db2.gz UKEWRAXBFSNNHA-OAHLLOKOSA-N 1 0 354.462 1.726 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000898007483 840660500 /nfs/dbraw/zinc/66/05/00/840660500.db2.gz RVEZIXNDABXAAO-MAUKXSAKSA-N 1 0 359.470 1.358 20 10 FDCDRO C[C@@H](CCC1CC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897992942 840683803 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372.469 1.600 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(O)CCOCC2)[NH+](C)C)cc1 ZINC000899102116 845774441 /nfs/dbraw/zinc/77/44/41/845774441.db2.gz KFOUUFPNQGMGIG-QGZVFWFLSA-N 1 0 364.490 1.196 20 10 FDCDRO C[C@H]1c2nncn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103391 845776628 /nfs/dbraw/zinc/77/66/28/845776628.db2.gz LIPLPYQJXVDTIA-YOEHRIQHSA-N 1 0 371.489 1.733 20 10 FDCDRO CO[C@@](C)(CO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098978 845792404 /nfs/dbraw/zinc/79/24/04/845792404.db2.gz UIVQZKNNQMWJFS-FUHWJXTLSA-N 1 0 352.479 1.052 20 10 FDCDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842233459 845793607 /nfs/dbraw/zinc/79/36/07/845793607.db2.gz VVMALRSEEFXJAP-HNNXBMFYSA-N 1 0 357.410 1.382 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)[NH+](C)C)cc1 ZINC000899100643 845797578 /nfs/dbraw/zinc/79/75/78/845797578.db2.gz BBLQGSSZMFMELR-KSZLIROESA-N 1 0 362.474 1.165 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000842265784 846126462 /nfs/dbraw/zinc/12/64/62/846126462.db2.gz NTUBQBHTBZVLFC-YJBOKZPZSA-N 1 0 360.502 1.604 20 10 FDCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842271737 846160687 /nfs/dbraw/zinc/16/06/87/846160687.db2.gz JYKJMGDZAUQXFJ-CQSZACIVSA-N 1 0 359.426 1.628 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)C1 ZINC000905060589 851646321 /nfs/dbraw/zinc/64/63/21/851646321.db2.gz VRVLCHWSHDLOGZ-WMZOPIPTSA-N 1 0 361.486 1.144 20 10 FDCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000908169809 855109094 /nfs/dbraw/zinc/10/90/94/855109094.db2.gz AHTOEZITNFSZBV-OAHLLOKOSA-N 1 0 357.248 1.618 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)[NH+](C)C)cc1 ZINC000908459316 855443701 /nfs/dbraw/zinc/44/37/01/855443701.db2.gz FQCNVRFOVTXBLT-FJIDUMEYSA-N 1 0 367.515 1.595 20 10 FDCDRO C[C@@H]1CCN(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000908459277 855443925 /nfs/dbraw/zinc/44/39/25/855443925.db2.gz DVUMKERWFGTWNY-RHSMWYFYSA-N 1 0 354.520 1.532 20 10 FDCDRO CO[C@H](CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000908460072 855444835 /nfs/dbraw/zinc/44/48/35/855444835.db2.gz MGEGRKCQUXSHMN-QZTJIDSGSA-N 1 0 369.531 1.700 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@H]4CC[C@@]43C[NH3+])ccc21 ZINC000911112372 858207073 /nfs/dbraw/zinc/20/70/73/858207073.db2.gz OODMBFMFMKRTKC-OXQOHEQNSA-N 1 0 356.470 1.025 20 10 FDCDRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C ZINC000911249898 858364050 /nfs/dbraw/zinc/36/40/50/858364050.db2.gz LZPDEMCKUYYNRY-UHFFFAOYSA-N 1 0 374.529 1.996 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC000911227296 858373593 /nfs/dbraw/zinc/37/35/93/858373593.db2.gz BTNRIERLUKSMRD-WBVHZDCISA-N 1 0 358.486 1.346 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000911521261 858736181 /nfs/dbraw/zinc/73/61/81/858736181.db2.gz VDOXCMDGQULZAR-QGZVFWFLSA-N 1 0 360.502 1.605 20 10 FDCDRO CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC000911665147 858877475 /nfs/dbraw/zinc/87/74/75/858877475.db2.gz AJLUUONARWZEMJ-CEXWTWQISA-N 1 0 362.518 1.758 20 10 FDCDRO Cc1nn(CC(F)F)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667271 858879288 /nfs/dbraw/zinc/87/92/88/858879288.db2.gz PMFCPDXGCCOSDE-HNNXBMFYSA-N 1 0 351.401 1.952 20 10 FDCDRO COC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001105879725 863606491 /nfs/dbraw/zinc/60/64/91/863606491.db2.gz QLNMLYPHLNRLFJ-GDBMZVCRSA-N 1 0 363.458 1.544 20 10 FDCDRO COc1ccc(N2CCN(CCN3C(=O)N[C@H](CC4CC4)C3=O)CC2)cc1 ZINC000761181438 864284977 /nfs/dbraw/zinc/28/49/77/864284977.db2.gz AKYDFMYSZIXYKM-GOSISDBHSA-N 1 0 372.469 1.538 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c[nH]nc3C)CC2)cc1 ZINC000063681590 866150648 /nfs/dbraw/zinc/15/06/48/866150648.db2.gz KKNNUNPNCZMBGY-UHFFFAOYSA-N 1 0 357.458 1.669 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CC[N@@H+]3C)cc2F)C[C@@H](C)O1 ZINC000914242298 871993838 /nfs/dbraw/zinc/99/38/38/871993838.db2.gz FZOXNOKFOWQSML-IIAWOOMASA-N 1 0 364.465 1.943 20 10 FDCDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000914242548 871995539 /nfs/dbraw/zinc/99/55/39/871995539.db2.gz MQZKMXSXAUOXEG-CQSZACIVSA-N 1 0 350.438 1.290 20 10 FDCDRO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000914255772 872073315 /nfs/dbraw/zinc/07/33/15/872073315.db2.gz WLUGESGQYPKVSS-HNAYVOBHSA-N 1 0 360.502 1.787 20 10 FDCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978054 873997455 /nfs/dbraw/zinc/99/74/55/873997455.db2.gz CBBVBDGSPQLJEL-SFHVURJKSA-N 1 0 374.510 1.822 20 10 FDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCOC1 ZINC000765979540 874063891 /nfs/dbraw/zinc/06/38/91/874063891.db2.gz LKKJCBKUTAWJRS-FUHWJXTLSA-N 1 0 352.500 1.826 20 10 FDCDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc4c(c3)CCCO4)OCCN2C)cn1 ZINC000922249351 874105923 /nfs/dbraw/zinc/10/59/23/874105923.db2.gz JHURUJAYFHBXDS-PMACEKPBSA-N 1 0 356.470 1.907 20 10 FDCDRO CC1CC[NH+](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000762018785 874980340 /nfs/dbraw/zinc/98/03/40/874980340.db2.gz MAHGUDFDHXNPHZ-SFHVURJKSA-N 1 0 372.513 1.736 20 10 FDCDRO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075030 882914688 /nfs/dbraw/zinc/91/46/88/882914688.db2.gz OWMPVFMIAUAPNS-OAHLLOKOSA-N 1 0 364.490 1.824 20 10 FDCDRO c1nnc2ccc(N3CC[C@@H]([NH2+]Cc4ccc5c(c4)CCCO5)C3)nn12 ZINC000922285227 877304130 /nfs/dbraw/zinc/30/41/30/877304130.db2.gz XPTAFRPIWDLBEH-MRXNPFEDSA-N 1 0 350.426 1.818 20 10 FDCDRO c1cc2c(cc1C[NH2+][C@@H]1CCCN(CCN3CCOCC3)C1)CCCO2 ZINC000922336870 877726392 /nfs/dbraw/zinc/72/63/92/877726392.db2.gz FFZMZTRXPFFXCW-HXUWFJFHSA-N 1 0 359.514 1.898 20 10 FDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000922337205 877733318 /nfs/dbraw/zinc/73/33/18/877733318.db2.gz AEINGINACZGPLN-UHFFFAOYSA-N 1 0 359.449 1.844 20 10 FDCDRO Cc1cc(O)c(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)cc1C ZINC000922768340 879226261 /nfs/dbraw/zinc/22/62/61/879226261.db2.gz GGNRTCSDTALCJR-UHFFFAOYSA-N 1 0 355.438 1.531 20 10 FDCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922822541 879420589 /nfs/dbraw/zinc/42/05/89/879420589.db2.gz HXTPPJGLEGDXLA-MRXNPFEDSA-N 1 0 368.524 1.880 20 10 FDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000922983915 887648604 /nfs/dbraw/zinc/64/86/04/887648604.db2.gz NOAUNSJRQCTWEQ-UHFFFAOYSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000179540487 888742466 /nfs/dbraw/zinc/74/24/66/888742466.db2.gz FKLPMXSTULAWKD-LPHOPBHVSA-N 1 0 361.486 1.437 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923580978 889962425 /nfs/dbraw/zinc/96/24/25/889962425.db2.gz FVAAIKVPDMPBGN-KRWDZBQOSA-N 1 0 353.488 1.037 20 10 FDCDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000072858087 900318003 /nfs/dbraw/zinc/31/80/03/900318003.db2.gz GRJVCPYKZNPRHB-SFHVURJKSA-N 1 0 374.529 1.617 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000785424185 900678909 /nfs/dbraw/zinc/67/89/09/900678909.db2.gz MJQMRJKPWRCXEJ-SFHVURJKSA-N 1 0 372.513 1.559 20 10 FDCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000186140280 902113366 /nfs/dbraw/zinc/11/33/66/902113366.db2.gz OJNUZABWMVBIOB-QGZVFWFLSA-N 1 0 373.545 1.894 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](O)C(C)(C)C)CC2)cc1 ZINC000764641027 905255541 /nfs/dbraw/zinc/25/55/41/905255541.db2.gz RYXBIVBQJBVCBK-SFHVURJKSA-N 1 0 363.502 1.731 20 10 FDCDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc3nonc32)c2ccccc2O1 ZINC000765202631 906532830 /nfs/dbraw/zinc/53/28/30/906532830.db2.gz JHBNMOPKORJHAT-LBPRGKRZSA-N 1 0 374.422 1.741 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000785439850 908703888 /nfs/dbraw/zinc/70/38/88/908703888.db2.gz XDTXNEHLJPSOKB-QGZVFWFLSA-N 1 0 360.502 1.605 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2C)cc1C ZINC001082615287 909055275 /nfs/dbraw/zinc/05/52/75/909055275.db2.gz SHIGNIFAIYRUNK-CRAIPNDOSA-N 1 0 369.465 1.953 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082952840 911127641 /nfs/dbraw/zinc/12/76/41/911127641.db2.gz WRGAKYLNKKIDOI-XJKCOSOUSA-N 1 0 359.430 1.936 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000732064376 918978130 /nfs/dbraw/zinc/97/81/30/918978130.db2.gz KABYNWFGQJJZEW-LJQANCHMSA-N 1 0 362.518 1.520 20 10 FDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000732464206 919640025 /nfs/dbraw/zinc/64/00/25/919640025.db2.gz ZTLZCINIUFUZOS-KGLIPLIRSA-N 1 0 351.447 1.872 20 10 FDCDRO COc1ccc(O)c(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000734065261 922880468 /nfs/dbraw/zinc/88/04/68/922880468.db2.gz XRLIBECEIOVHNL-ZIAGYGMSSA-N 1 0 351.447 1.699 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC000766239169 925312754 /nfs/dbraw/zinc/31/27/54/925312754.db2.gz GXUHPQTVRKBYDW-HXUWFJFHSA-N 1 0 373.497 1.845 20 10 FDCDRO CC[NH+]1CCC(NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000741805444 925868594 /nfs/dbraw/zinc/86/85/94/925868594.db2.gz HKZKALUEFAKTIR-UHFFFAOYSA-N 1 0 365.474 1.749 20 10 FDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000746148427 927639935 /nfs/dbraw/zinc/63/99/35/927639935.db2.gz WTCZOKSZMNIYJR-NUJGCVRESA-N 1 0 372.513 1.877 20 10 FDCDRO COC(=O)C[C@]1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000767028291 929055099 /nfs/dbraw/zinc/05/50/99/929055099.db2.gz AWIMKPLJDDUFIB-LJQANCHMSA-N 1 0 363.458 1.023 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3cncc4ncnn43)CC2)cc1 ZINC000770501535 930053914 /nfs/dbraw/zinc/05/39/14/930053914.db2.gz OMWOTWXSYFVGAU-UHFFFAOYSA-N 1 0 367.457 1.757 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@](C)(O)C(C)C)cc2F)CC1 ZINC000771327807 930594405 /nfs/dbraw/zinc/59/44/05/930594405.db2.gz MGMLSGCHUJHRNI-LJQANCHMSA-N 1 0 351.466 1.991 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786087022 931744889 /nfs/dbraw/zinc/74/48/89/931744889.db2.gz RJHAKPRWHIWJDK-UHFFFAOYSA-N 1 0 368.528 1.485 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000788560885 932731998 /nfs/dbraw/zinc/73/19/98/932731998.db2.gz BYRHQCRSPXMVBW-YXJHDRRASA-N 1 0 358.486 1.673 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788564223 932733390 /nfs/dbraw/zinc/73/33/90/932733390.db2.gz TTYWMLIOKAWZAS-SJLPKXTDSA-N 1 0 358.486 1.420 20 10 FDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788935722 932897380 /nfs/dbraw/zinc/89/73/80/932897380.db2.gz DBWCNUJXFIWDRK-INIZCTEOSA-N 1 0 356.470 1.256 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nc(C)nn3C)CC2)cc1 ZINC000791425946 934013858 /nfs/dbraw/zinc/01/38/58/934013858.db2.gz NDQFUUNVKHYNAT-UHFFFAOYSA-N 1 0 372.473 1.074 20 10 FDCDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000806169560 938898417 /nfs/dbraw/zinc/89/84/17/938898417.db2.gz HMKXDHXLDHZVBE-WCQYABFASA-N 1 0 361.895 1.967 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000806277068 939876303 /nfs/dbraw/zinc/87/63/03/939876303.db2.gz OSWOMDDYASBVKN-ZDUSSCGKSA-N 1 0 368.528 1.438 20 10 FDCDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806276470 939876670 /nfs/dbraw/zinc/87/66/70/939876670.db2.gz FGJXGHRSPQGBKL-CYBMUJFWSA-N 1 0 370.544 1.590 20 10 FDCDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000806282902 939880628 /nfs/dbraw/zinc/88/06/28/939880628.db2.gz YEUQGOZEVWVUPF-QWHCGFSZSA-N 1 0 370.544 1.683 20 10 FDCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000806328826 939900743 /nfs/dbraw/zinc/90/07/43/939900743.db2.gz KMFLUXNMQICKBZ-QGZVFWFLSA-N 1 0 360.502 1.702 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000807101043 940249621 /nfs/dbraw/zinc/24/96/21/940249621.db2.gz SKOHHJOSMXCFOR-HNNXBMFYSA-N 1 0 358.486 1.444 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)cc1C ZINC001086649105 940283004 /nfs/dbraw/zinc/28/30/04/940283004.db2.gz JWSCMUGNVGOWAS-SCTDSRPQSA-N 1 0 362.470 1.794 20 10 FDCDRO CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000807288218 940302964 /nfs/dbraw/zinc/30/29/64/940302964.db2.gz RYGOHZVWEKMEHS-LJQANCHMSA-N 1 0 368.481 1.374 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(N(C)C)cc1 ZINC000807673730 940451879 /nfs/dbraw/zinc/45/18/79/940451879.db2.gz YAUPRIXXYKUDTE-VDZJLULYSA-N 1 0 372.513 1.873 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000807679453 940454609 /nfs/dbraw/zinc/45/46/09/940454609.db2.gz RVVZPJIDLLPETL-LSDHHAIUSA-N 1 0 358.486 1.696 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000807853829 940484142 /nfs/dbraw/zinc/48/41/42/940484142.db2.gz SMGZLXXNBVOPQB-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000809736387 940888849 /nfs/dbraw/zinc/88/88/49/940888849.db2.gz SAKJYDVJMFJCBW-UHFFFAOYSA-N 1 0 367.515 1.427 20 10 FDCDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000810217670 940966951 /nfs/dbraw/zinc/96/69/51/940966951.db2.gz JPSVXGPZGABTTD-INIZCTEOSA-N 1 0 363.487 1.081 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnnn3C)C2)cc1C ZINC001086687883 941075809 /nfs/dbraw/zinc/07/58/09/941075809.db2.gz OEDGANKBOXYVPX-JKSUJKDBSA-N 1 0 357.458 1.820 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ncn(C)n3)C2)cc1C ZINC001086689651 941096706 /nfs/dbraw/zinc/09/67/06/941096706.db2.gz ALQOPZOGWMNLMT-JKSUJKDBSA-N 1 0 357.458 1.820 20 10 FDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000813861699 941482743 /nfs/dbraw/zinc/48/27/43/941482743.db2.gz XGYJXAIWGKGTAE-INIZCTEOSA-N 1 0 365.499 1.068 20 10 FDCDRO CNc1nc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001134882044 941789060 /nfs/dbraw/zinc/78/90/60/941789060.db2.gz KQFHCTVEIQKSRT-QGZVFWFLSA-N 1 0 356.474 1.925 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000817833833 942996934 /nfs/dbraw/zinc/99/69/34/942996934.db2.gz PKFVJJNXDVCWPG-MXWWQKGMSA-N 1 0 360.502 1.919 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000817823275 943027575 /nfs/dbraw/zinc/02/75/75/943027575.db2.gz SZUIQOORTNXSMQ-BQFCYCMXSA-N 1 0 374.529 1.707 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000817895135 943069299 /nfs/dbraw/zinc/06/92/99/943069299.db2.gz RCLOXUQZSQLNRK-RTWAWAEBSA-N 1 0 374.529 1.174 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000817930848 943076428 /nfs/dbraw/zinc/07/64/28/943076428.db2.gz PCTAEWQWJPUCKA-HOTGVXAUSA-N 1 0 360.502 1.698 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000817918014 943077071 /nfs/dbraw/zinc/07/70/71/943077071.db2.gz GJVLCOHHOCFJSL-CALCHBBNSA-N 1 0 358.486 1.454 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000817919858 943077179 /nfs/dbraw/zinc/07/71/79/943077179.db2.gz ZXKAPAYGQKCQNP-UHOSZYNNSA-N 1 0 372.513 1.687 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000817919471 943077845 /nfs/dbraw/zinc/07/78/45/943077845.db2.gz UCFUIRDWZLIYES-HNNXBMFYSA-N 1 0 360.502 1.687 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000817919143 943078177 /nfs/dbraw/zinc/07/81/77/943078177.db2.gz QHRAHIQUKRBCGN-UHFFFAOYSA-N 1 0 372.513 1.703 20 10 FDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926252 943082537 /nfs/dbraw/zinc/08/25/37/943082537.db2.gz CACCQSFOHOHFCF-WBVHZDCISA-N 1 0 372.513 1.829 20 10 FDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817991140 943125739 /nfs/dbraw/zinc/12/57/39/943125739.db2.gz MOWDBUBHHQVGPC-FUHWJXTLSA-N 1 0 372.513 1.831 20 10 FDCDRO COC(=O)CC1CC([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000818331151 943230583 /nfs/dbraw/zinc/23/05/83/943230583.db2.gz VFIUUMJNANEBNV-UHFFFAOYSA-N 1 0 361.486 1.749 20 10 FDCDRO COCC[NH2+]CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818654393 943317746 /nfs/dbraw/zinc/31/77/46/943317746.db2.gz CKLUCDBJQQFKDP-HNNXBMFYSA-N 1 0 350.463 1.057 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CC1=O ZINC000827978193 943334902 /nfs/dbraw/zinc/33/49/02/943334902.db2.gz KFGFGKFBAUFGCT-JYJNAYRXSA-N 1 0 359.470 1.902 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)Cn3ccnc3)CC2)cc1 ZINC000818960087 943343245 /nfs/dbraw/zinc/34/32/45/943343245.db2.gz XKWQSYGGDQBJFS-PKOBYXMFSA-N 1 0 373.501 1.053 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000818983260 943371148 /nfs/dbraw/zinc/37/11/48/943371148.db2.gz YJGPCOUNNLBWKO-OAHLLOKOSA-N 1 0 361.408 1.720 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1F ZINC000818985285 943371904 /nfs/dbraw/zinc/37/19/04/943371904.db2.gz 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COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000819369046 943559924 /nfs/dbraw/zinc/55/99/24/943559924.db2.gz RVRDXWLQMMVKCD-XYJFISCASA-N 1 0 365.543 1.662 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000819585499 943635203 /nfs/dbraw/zinc/63/52/03/943635203.db2.gz FWOPJJFBNOYWMW-APWZRJJASA-N 1 0 358.486 1.028 20 10 FDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000819696764 943696072 /nfs/dbraw/zinc/69/60/72/943696072.db2.gz CRMRXDMPORECAC-HNNXBMFYSA-N 1 0 364.442 1.252 20 10 FDCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCNC1=O ZINC000821065372 944323565 /nfs/dbraw/zinc/32/35/65/944323565.db2.gz NDOJZKSHMQYIIT-KBXCAEBGSA-N 1 0 365.861 1.652 20 10 FDCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436307 944503484 /nfs/dbraw/zinc/50/34/84/944503484.db2.gz MBMQJMDNOSBRRI-YOEHRIQHSA-N 1 0 372.473 1.947 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000824688856 946691278 /nfs/dbraw/zinc/69/12/78/946691278.db2.gz ZQAKHWXOAUOTNE-HNAYVOBHSA-N 1 0 364.490 1.133 20 10 FDCDRO O=C(N1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]2C1)C(F)(F)F ZINC000824827106 946825637 /nfs/dbraw/zinc/82/56/37/946825637.db2.gz ALZXTMKFSACDDA-PWSUYJOCSA-N 1 0 372.343 1.964 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000844217392 947845025 /nfs/dbraw/zinc/84/50/25/947845025.db2.gz GTNVRBKOWZLNAT-VQIMIIECSA-N 1 0 360.502 1.546 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000844223744 947855874 /nfs/dbraw/zinc/85/58/74/947855874.db2.gz BKHTXKYHHZAMPH-GOSISDBHSA-N 1 0 374.529 1.398 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)CC2)cc1 ZINC000844224132 947855988 /nfs/dbraw/zinc/85/59/88/947855988.db2.gz GEPKJUMPNLOOPZ-KURKYZTESA-N 1 0 374.529 1.649 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000844400614 948030713 /nfs/dbraw/zinc/03/07/13/948030713.db2.gz DFAYDNYOCBONGC-IBGZPJMESA-N 1 0 361.486 1.843 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCCC(F)(F)C3)CC2)cc1 ZINC000844378812 948038832 /nfs/dbraw/zinc/03/88/32/948038832.db2.gz SJLAOTGUMPZAHK-KRWDZBQOSA-N 1 0 369.456 1.909 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC([C@@H](C)CO)CC1)cc2=O ZINC000844418638 948046669 /nfs/dbraw/zinc/04/66/69/948046669.db2.gz ZTJWGCWYFABWNO-LBPRGKRZSA-N 1 0 362.430 1.452 20 10 FDCDRO O=C1N[C@H](CCF)C(=O)N1Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000844722841 948331938 /nfs/dbraw/zinc/33/19/38/948331938.db2.gz OZLHDTMQHDDLDH-GOSISDBHSA-N 1 0 374.460 1.999 20 10 FDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000845001951 948579547 /nfs/dbraw/zinc/57/95/47/948579547.db2.gz ILBKVVALZBUNGZ-MRXNPFEDSA-N 1 0 364.490 1.494 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)cc1 ZINC000857086465 971566888 /nfs/dbraw/zinc/56/68/88/971566888.db2.gz KZMLDAKSJMLQNZ-OXJNMPFZSA-N 1 0 358.486 1.157 20 10 FDCDRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508668 949701181 /nfs/dbraw/zinc/70/11/81/949701181.db2.gz UWFNNBZUPFIGCL-JXFKEZNVSA-N 1 0 369.421 1.727 20 10 FDCDRO O=C([C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC12CCOCC2)N1CC=CC1 ZINC001144509683 949786177 /nfs/dbraw/zinc/78/61/77/949786177.db2.gz IAIRXQAEYMFDTH-INIZCTEOSA-N 1 0 374.437 1.430 20 10 FDCDRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2c(O)cc(O)cc2O)C1)N1CCCC1 ZINC001144510252 949790737 /nfs/dbraw/zinc/79/07/37/949790737.db2.gz VTUBMVSKJCKLKT-WBHUJUFNSA-N 1 0 362.426 1.405 20 10 FDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1O ZINC000846165262 950590797 /nfs/dbraw/zinc/59/07/97/950590797.db2.gz NOQMOJAWZUHCLD-ZFWWWQNUSA-N 1 0 358.442 1.976 20 10 FDCDRO CCO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000846139580 950619650 /nfs/dbraw/zinc/61/96/50/950619650.db2.gz WPVBURXYXKQWBE-SJLPKXTDSA-N 1 0 362.474 1.028 20 10 FDCDRO [NH3+]CCC1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000846343261 950962117 /nfs/dbraw/zinc/96/21/17/950962117.db2.gz JZJZHJZFQIZZSC-UHFFFAOYSA-N 1 0 358.486 1.490 20 10 FDCDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001147953791 952586052 /nfs/dbraw/zinc/58/60/52/952586052.db2.gz UJNIUBSFAHNPAH-AWEZNQCLSA-N 1 0 351.466 1.991 20 10 FDCDRO C[NH+](C)CCOCc1ncn2c1CN(C(=O)c1cccc(O)c1O)CCC2 ZINC001148214766 952649423 /nfs/dbraw/zinc/64/94/23/952649423.db2.gz WTQSYJAJPRVDMU-UHFFFAOYSA-N 1 0 374.441 1.419 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C)cc1C ZINC001093966831 959379319 /nfs/dbraw/zinc/37/93/19/959379319.db2.gz PKMGTDFDRNZDBG-DJIMGWMZSA-N 1 0 359.470 1.324 20 10 FDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cccc(I)c2O)C1 ZINC001206444780 960646601 /nfs/dbraw/zinc/64/66/01/960646601.db2.gz KRIHQFPMQRCVRW-ZJUUUORDSA-N 1 0 350.175 1.868 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC2)c(OC)c1 ZINC001172019236 961407738 /nfs/dbraw/zinc/40/77/38/961407738.db2.gz KBCZZODWPIBOBF-INIZCTEOSA-N 1 0 359.470 1.979 20 10 FDCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)cc1 ZINC001172180531 961555526 /nfs/dbraw/zinc/55/55/26/961555526.db2.gz DBGZVMSGDKFNAN-OALUTQOASA-N 1 0 373.497 1.987 20 10 FDCDRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000774851868 963908153 /nfs/dbraw/zinc/90/81/53/963908153.db2.gz CVINAMDYQQOCRL-UHFFFAOYSA-N 1 0 372.513 1.894 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000774866582 963927297 /nfs/dbraw/zinc/92/72/97/963927297.db2.gz NICHMNSRKMZYGY-OAHLLOKOSA-N 1 0 360.502 1.920 20 10 FDCDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001177952863 964045873 /nfs/dbraw/zinc/04/58/73/964045873.db2.gz BUAMHSIIHZHQCA-UHFFFAOYSA-N 1 0 364.427 1.155 20 10 FDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1O ZINC001180408767 965312660 /nfs/dbraw/zinc/31/26/60/965312660.db2.gz NWEKRTMLOJWRFB-ZWKOTPCHSA-N 1 0 368.433 1.930 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000775192725 966533754 /nfs/dbraw/zinc/53/37/54/966533754.db2.gz OMZMJUFZJZHIEX-IBGZPJMESA-N 1 0 365.543 1.838 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[N@H+](CC)C[C@H]1C)cc2=O ZINC000852167686 967044227 /nfs/dbraw/zinc/04/42/27/967044227.db2.gz YIRALFKCRHDMQB-CYBMUJFWSA-N 1 0 361.446 1.528 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000852189501 967074321 /nfs/dbraw/zinc/07/43/21/967074321.db2.gz JPSSIHGALUNDRS-DOTOQJQBSA-N 1 0 360.502 1.930 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000852680019 967527884 /nfs/dbraw/zinc/52/78/84/967527884.db2.gz JJRKYUBGNBCJBB-KRWDZBQOSA-N 1 0 358.486 1.313 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1 ZINC000852790895 967609231 /nfs/dbraw/zinc/60/92/31/967609231.db2.gz CABUBRPJEQTJJS-WIYYLYMNSA-N 1 0 366.465 1.327 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000852791333 967609242 /nfs/dbraw/zinc/60/92/42/967609242.db2.gz ZZLBXLQFQPXLNV-UHFFFAOYSA-N 1 0 356.474 1.979 20 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O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000852868571 967674461 /nfs/dbraw/zinc/67/44/61/967674461.db2.gz JVHYDPNZQHNHDG-HNNXBMFYSA-N 1 0 369.469 1.378 20 10 FDCDRO CCc1nc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000775377621 967794365 /nfs/dbraw/zinc/79/43/65/967794365.db2.gz NINZDUKFPWYPJV-UHFFFAOYSA-N 1 0 373.457 1.583 20 10 FDCDRO COc1ccc(N2CCN(C(=O)Cc3noc(CC4([NH3+])CC4)n3)CC2)cc1 ZINC000854150917 968635432 /nfs/dbraw/zinc/63/54/32/968635432.db2.gz BTVFMIUJHLFTBC-UHFFFAOYSA-N 1 0 371.441 1.003 20 10 FDCDRO COc1cc(C(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)cc(O)c1O ZINC001193119937 969484096 /nfs/dbraw/zinc/48/40/96/969484096.db2.gz LZZKAVJKQGLBSC-JOCQHMNTSA-N 1 0 358.398 1.813 20 10 FDCDRO O=C1OC[C@]2(C[NH2+]Cc3c(O)cccc3Br)COCCN12 ZINC000865771487 974478029 /nfs/dbraw/zinc/47/80/29/974478029.db2.gz JCOCCPCRPMGSLZ-AWEZNQCLSA-N 1 0 357.204 1.466 20 10 FDCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)CS(N)(=O)=O ZINC000865813750 974514310 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CC(C)NC(=[NH2+])NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000849063720 977299775 /nfs/dbraw/zinc/29/97/75/977299775.db2.gz OWDXVNQBSDVJCH-UHFFFAOYSA-N 1 0 371.464 1.965 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000868421425 977635130 /nfs/dbraw/zinc/63/51/30/977635130.db2.gz KVFOOUADIBQJPB-MOPGFXCFSA-N 1 0 372.513 1.844 20 10 FDCDRO CCc1nn(C)cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356424 978333501 /nfs/dbraw/zinc/33/35/01/978333501.db2.gz SCLJHIKILBGEPE-UHFFFAOYSA-N 1 0 362.499 1.507 20 10 FDCDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Br)cc1O ZINC000850508307 978409873 /nfs/dbraw/zinc/40/98/73/978409873.db2.gz MJWQWQJAIRDHAQ-XHDPSFHLSA-N 1 0 360.248 1.973 20 10 FDCDRO OC1CCN(c2ccc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc2)CC1 ZINC000850568882 978440033 /nfs/dbraw/zinc/44/00/33/978440033.db2.gz MILJYYQAFMPZEC-FQEVSTJZSA-N 1 0 359.514 1.991 20 10 FDCDRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000851655152 978985909 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FDCDRO CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881848756 980209289 /nfs/dbraw/zinc/20/92/89/980209289.db2.gz AJQNLXQCLXDJCP-GOSISDBHSA-N 1 0 358.486 1.313 20 10 FDCDRO CCC(=O)N1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881850822 980211695 /nfs/dbraw/zinc/21/16/95/980211695.db2.gz HIFYIZRGHURNNW-QGZVFWFLSA-N 1 0 358.486 1.313 20 10 FDCDRO Cn1ncc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cnc21 ZINC000881850886 980212090 /nfs/dbraw/zinc/21/20/90/980212090.db2.gz JMURPWRQLFBQNE-UHFFFAOYSA-N 1 0 364.453 1.650 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000881852417 980215647 /nfs/dbraw/zinc/21/56/47/980215647.db2.gz PHJAWMVWFYZALY-UHFFFAOYSA-N 1 0 367.515 1.268 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccn(CC(F)F)n3)cc2)CC1 ZINC000881853648 980218308 /nfs/dbraw/zinc/21/83/08/980218308.db2.gz FBUGYAIIIAJFSK-UHFFFAOYSA-N 1 0 363.412 1.830 20 10 FDCDRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853826 980218626 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C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000883154374 981984174 /nfs/dbraw/zinc/98/41/74/981984174.db2.gz HHZPEYHGOUDNPO-UHFFFAOYSA-N 1 0 364.465 1.898 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCCn3ccnc3)cc2)CC1 ZINC000883174300 981995871 /nfs/dbraw/zinc/99/58/71/981995871.db2.gz HRDQXSWVEYIZGM-UHFFFAOYSA-N 1 0 370.501 1.915 20 10 FDCDRO COc1cccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883249403 982032184 /nfs/dbraw/zinc/03/21/84/982032184.db2.gz FCTFDNSUSZOJMG-UHFFFAOYSA-N 1 0 369.469 1.841 20 10 FDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883302115 982057553 /nfs/dbraw/zinc/05/75/53/982057553.db2.gz QSFOGPZQJYDBLD-KRWDZBQOSA-N 1 0 361.534 1.968 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1F ZINC000883371928 982101437 /nfs/dbraw/zinc/10/14/37/982101437.db2.gz FNDYPMMQDNEDHT-SFHVURJKSA-N 1 0 364.509 1.778 20 10 FDCDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883373218 982102619 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CCN(CC[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000861561797 983778815 /nfs/dbraw/zinc/77/88/15/983778815.db2.gz GXKMBKKIEBFBTO-ZIAGYGMSSA-N 1 0 352.454 1.930 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000861647482 983800884 /nfs/dbraw/zinc/80/08/84/983800884.db2.gz JDXDLPODIVFFMI-HNNXBMFYSA-N 1 0 350.463 1.138 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000861766144 983909029 /nfs/dbraw/zinc/90/90/29/983909029.db2.gz BTXNPECRRUXLDP-HIFRSBDPSA-N 1 0 364.465 1.545 20 10 FDCDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[NH2+]1 ZINC000861805862 983931091 /nfs/dbraw/zinc/93/10/91/983931091.db2.gz OQMSKUDBWCLVJC-GDBMZVCRSA-N 1 0 358.486 1.500 20 10 FDCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862549874 984409473 /nfs/dbraw/zinc/40/94/73/984409473.db2.gz AHQZGJOKGPGRAA-JTQLQIEISA-N 1 0 350.843 1.946 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000884970601 985018566 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370.490 1.844 20 10 FDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000297385565 989524571 /nfs/dbraw/zinc/52/45/71/989524571.db2.gz ACKIWDVUEBCMJM-KRWDZBQOSA-N 1 0 360.502 1.511 20 10 FDCDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)C1 ZINC000364918285 989889166 /nfs/dbraw/zinc/88/91/66/989889166.db2.gz LXIDQKHJLZQFQL-SFHVURJKSA-N 1 0 358.486 1.882 20 10 FDCDRO COc1ccc(N2CCC([NH2+]CCC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000370645311 989916218 /nfs/dbraw/zinc/91/62/18/989916218.db2.gz VFEIHKNMMUZAJD-UHFFFAOYSA-N 1 0 360.502 1.418 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000825728325 990224067 /nfs/dbraw/zinc/22/40/67/990224067.db2.gz TYCARMFJWYVSBC-WAOWUJCRSA-N 1 0 373.497 1.876 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000373119688 991935609 /nfs/dbraw/zinc/93/56/09/991935609.db2.gz ZTTRSWWUQYJRPH-UXHICEINSA-N 1 0 374.529 1.602 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2NC(=O)CO3)cc1 ZINC000876506988 992672468 /nfs/dbraw/zinc/67/24/68/992672468.db2.gz SJCOKYAACITXJE-OAHLLOKOSA-N 1 0 354.410 1.513 20 10 FDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000876569871 992711491 /nfs/dbraw/zinc/71/14/91/992711491.db2.gz YPUJMQWOCCXYIG-UHFFFAOYSA-N 1 0 361.467 1.670 20 10 FDCDRO [NH3+]C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCOC1 ZINC000876729175 992841881 /nfs/dbraw/zinc/84/18/81/992841881.db2.gz GRYNIMOWIBBBKC-FQEVSTJZSA-N 1 0 361.486 1.267 20 10 FDCDRO [NH3+]C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCOC1 ZINC000876730125 992843743 /nfs/dbraw/zinc/84/37/43/992843743.db2.gz DDYNAHMTZWUEGG-LJQANCHMSA-N 1 0 365.449 1.159 20 10 FDCDRO O=C(CN1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000876776255 992900982 /nfs/dbraw/zinc/90/09/82/992900982.db2.gz GSIIXRZTCUYSLB-AWEZNQCLSA-N 1 0 368.428 1.278 20 10 FDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CC[NH2+]CC2)cc1 ZINC000876873062 992943682 /nfs/dbraw/zinc/94/36/82/992943682.db2.gz VDHDQUBONSBOCM-LJQANCHMSA-N 1 0 360.502 1.165 20 10 FDCDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876991586 992998051 /nfs/dbraw/zinc/99/80/51/992998051.db2.gz QNUBCALSNQBCQR-UHFFFAOYSA-N 1 0 355.504 1.067 20 10 FDCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCOC1 ZINC000877030221 993020508 /nfs/dbraw/zinc/02/05/08/993020508.db2.gz BUMNQSFPKUKLMZ-AEFFLSMTSA-N 1 0 368.499 1.063 20 10 FDCDRO CC(C)(C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)N1CCOCC1 ZINC000877145017 993068999 /nfs/dbraw/zinc/06/89/99/993068999.db2.gz BDTSJPFOTAQKQT-SFHVURJKSA-N 1 0 374.529 1.589 20 10 FDCDRO COc1ccc(N2CCN(C(=O)/C=C/[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000877228382 993120323 /nfs/dbraw/zinc/12/03/23/993120323.db2.gz YSQDXBCQEPFMNK-WHWKNOJMSA-N 1 0 359.470 1.908 20 10 FDCDRO C[C@@H](NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)c1ccccc1O ZINC000877256217 993153457 /nfs/dbraw/zinc/15/34/57/993153457.db2.gz POYRGDWDXRCADC-ZJUUUORDSA-N 1 0 351.357 1.947 20 10 FDCDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532695 993324919 /nfs/dbraw/zinc/32/49/19/993324919.db2.gz GPVFLFZUNHNOJU-INIZCTEOSA-N 1 0 352.500 1.562 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000826030860 993782173 /nfs/dbraw/zinc/78/21/73/993782173.db2.gz TXGWEFJPJIDWNG-UHFFFAOYSA-N 1 0 361.486 1.768 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878868835 994304329 /nfs/dbraw/zinc/30/43/29/994304329.db2.gz SUDATBIULCTEPX-HXUWFJFHSA-N 1 0 362.518 1.100 20 10 FDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000924255134 994522068 /nfs/dbraw/zinc/52/20/68/994522068.db2.gz MFKBERAJYBJKLU-UHFFFAOYSA-N 1 0 358.486 1.489 20 10 FDCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)cc2)CC1 ZINC000879156757 994581522 /nfs/dbraw/zinc/58/15/22/994581522.db2.gz XPHXICWDWJMGIU-OYRHEFFESA-N 1 0 371.481 1.786 20 10 FDCDRO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879461415 994928032 /nfs/dbraw/zinc/92/80/32/994928032.db2.gz BYRSQCMKSGJLDP-JKSUJKDBSA-N 1 0 368.474 1.238 20 10 FDCDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000924687666 994932833 /nfs/dbraw/zinc/93/28/33/994932833.db2.gz XXXQAGQHWMNMMZ-SFHVURJKSA-N 1 0 354.454 1.969 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000879648838 995135804 /nfs/dbraw/zinc/13/58/04/995135804.db2.gz BQCJYGDWPZPTSN-CYBMUJFWSA-N 1 0 362.451 1.763 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](C4CCOCC4)C3=O)cc2)CC1 ZINC000925080498 995278078 /nfs/dbraw/zinc/27/80/78/995278078.db2.gz VEZBBJFYGGVSJZ-GOSISDBHSA-N 1 0 372.469 1.285 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](CC(F)(F)F)C3=O)cc2)CC1 ZINC000925080189 995278259 /nfs/dbraw/zinc/27/82/59/995278259.db2.gz RKJSREUNJPDQGR-CQSZACIVSA-N 1 0 370.375 1.811 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](CC(F)(F)F)C3=O)cc2)CC1 ZINC000925080188 995278520 /nfs/dbraw/zinc/27/85/20/995278520.db2.gz RKJSREUNJPDQGR-AWEZNQCLSA-N 1 0 370.375 1.811 20 10 FDCDRO O=C(C[N@H+]1CCC[C@H](CF)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880233338 995742477 /nfs/dbraw/zinc/74/24/77/995742477.db2.gz WRNDCLKGRYFPGM-MRXNPFEDSA-N 1 0 367.440 1.960 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926300733 996038882 /nfs/dbraw/zinc/03/88/82/996038882.db2.gz CNOBXYKBJLPRSA-SJLPKXTDSA-N 1 0 374.529 1.933 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCC(=O)NCc1ccccc1)c1cc(F)ccc1O ZINC000926964080 996375840 /nfs/dbraw/zinc/37/58/40/996375840.db2.gz JECCJPRBBSHYAQ-ZDUSSCGKSA-N 1 0 359.401 1.615 20 10 FDCDRO O=C(CNC(=O)C[NH2+][C@@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000926965270 996377268 /nfs/dbraw/zinc/37/72/68/996377268.db2.gz RQDHFJHVQVDOQR-MRXNPFEDSA-N 1 0 353.422 1.402 20 10 FDCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000888003087 998014732 /nfs/dbraw/zinc/01/47/32/998014732.db2.gz FDWXOMCWSSXSOO-CYBMUJFWSA-N 1 0 365.453 1.153 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4COC[C@H]4C3)cc2)CC1 ZINC000889661126 998510547 /nfs/dbraw/zinc/51/05/47/998510547.db2.gz RMLXUXWVWRVHAD-QZTJIDSGSA-N 1 0 358.486 1.616 20 10 FDCDRO C[C@H]1C[C@H](CO)CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889661261 998511594 /nfs/dbraw/zinc/51/15/94/998511594.db2.gz VMDJWUPOQLXOSX-WMZOPIPTSA-N 1 0 360.502 1.598 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@](O)(C4CC4)C3)cc2)CC1 ZINC000889661306 998511714 /nfs/dbraw/zinc/51/17/14/998511714.db2.gz WPHYYZXFERVVAO-OAQYLSRUSA-N 1 0 372.513 1.885 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000889662783 998512466 /nfs/dbraw/zinc/51/24/66/998512466.db2.gz JSXXVWMAMVLGKU-PKOBYXMFSA-N 1 0 360.502 1.789 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000889665316 998515026 /nfs/dbraw/zinc/51/50/26/998515026.db2.gz LCHFNMOCQOOTOA-MRXNPFEDSA-N 1 0 374.407 1.551 20 10 FDCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000283573095 999757117 /nfs/dbraw/zinc/75/71/17/999757117.db2.gz RZIHNULOJXWZGB-CRAIPNDOSA-N 1 0 360.502 1.558 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000283630549 999758552 /nfs/dbraw/zinc/75/85/52/999758552.db2.gz WQBHHOCCXFFKNE-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000283801771 999761695 /nfs/dbraw/zinc/76/16/95/999761695.db2.gz AQEFYEUZOMXIRM-WBVHZDCISA-N 1 0 362.449 1.251 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1F ZINC000284343717 999811797 /nfs/dbraw/zinc/81/17/97/999811797.db2.gz KIYIPMFUTOFAMM-UHFFFAOYSA-N 1 0 364.465 1.499 20 10 FDCDRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000284718116 999868135 /nfs/dbraw/zinc/86/81/35/999868135.db2.gz GJAMEDGHAOQTGV-UHFFFAOYSA-N 1 0 360.502 1.700 20 10 FDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(O)c1 ZINC000285057198 999898953 /nfs/dbraw/zinc/89/89/53/999898953.db2.gz ISSUFVFFEJFEJF-IAGOWNOFSA-N 1 0 361.486 1.593 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000285501312 999914212 /nfs/dbraw/zinc/91/42/12/999914212.db2.gz CROSTCSXLIENNW-INIZCTEOSA-N 1 0 371.485 1.641 20 10 FDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288000435 999981010 /nfs/dbraw/zinc/98/10/10/999981010.db2.gz AZOLNJRZTBJQLU-APWZRJJASA-N 1 0 370.497 1.478 20 10 FDCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1O ZINC000289470454 1000101291 /nfs/dbraw/zinc/10/12/91/1000101291.db2.gz PKZPOQZLPVHQTK-ZDUSSCGKSA-N 1 0 361.394 1.776 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC000928706516 1001632354 /nfs/dbraw/zinc/63/23/54/1001632354.db2.gz VLNXXOUSEQLULD-ZIAGYGMSSA-N 1 0 363.433 1.480 20 10 FDCDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000932368224 1004927841 /nfs/dbraw/zinc/92/78/41/1004927841.db2.gz FBRULLDVDHQJKD-CQSZACIVSA-N 1 0 367.465 1.682 20 10 FDCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000795584290 1007039930 /nfs/dbraw/zinc/03/99/30/1007039930.db2.gz PGYIJXGBKWBIML-CMPLNLGQSA-N 1 0 360.248 1.898 20 10 FDCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000795584292 1007040178 /nfs/dbraw/zinc/04/01/78/1007040178.db2.gz PGYIJXGBKWBIML-PWSUYJOCSA-N 1 0 360.248 1.898 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000193805411 1011048184 /nfs/dbraw/zinc/04/81/84/1011048184.db2.gz JLHMQETXZUYZRC-UHFFFAOYSA-N 1 0 360.502 1.370 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000796394247 1012751618 /nfs/dbraw/zinc/75/16/18/1012751618.db2.gz KGYZWPFSHNDIDG-SZVBFZGTSA-N 1 0 365.543 1.519 20 10 FDCDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000268252932 674086218 /nfs/dbraw/zinc/08/62/18/674086218.db2.gz XEVYGXCUIXUZDB-ZDUSSCGKSA-N 1 0 357.476 1.470 20 10 FDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000552747328 543512998 /nfs/dbraw/zinc/51/29/98/543512998.db2.gz CRMXXRPCXHUFLL-AWEZNQCLSA-N 1 0 358.486 1.949 20 10 FDCDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271189105 674320182 /nfs/dbraw/zinc/32/01/82/674320182.db2.gz LCMYGLHXWAWQFY-LLVKDONJSA-N 1 0 364.423 1.961 20 10 FDCDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271189107 674320275 /nfs/dbraw/zinc/32/02/75/674320275.db2.gz LCMYGLHXWAWQFY-NSHDSACASA-N 1 0 364.423 1.961 20 10 FDCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000271226963 674325181 /nfs/dbraw/zinc/32/51/81/674325181.db2.gz CHSQUKAFIYJVOX-IUODEOHRSA-N 1 0 367.471 1.320 20 10 FDCDRO CC1CC[NH+](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000055253432 523780312 /nfs/dbraw/zinc/78/03/12/523780312.db2.gz IHCUUPFXVIYBGX-UHFFFAOYSA-N 1 0 355.460 1.225 20 10 FDCDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000271662382 674366816 /nfs/dbraw/zinc/36/68/16/674366816.db2.gz DNZTXZDFVNDEIU-QZTJIDSGSA-N 1 0 352.500 1.969 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000160618609 524932221 /nfs/dbraw/zinc/93/22/21/524932221.db2.gz VBFJIZMXGLBJSK-NSHDSACASA-N 1 0 363.355 1.991 20 10 FDCDRO O=C([C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)N1CCOCC1 ZINC000124459731 524993394 /nfs/dbraw/zinc/99/33/94/524993394.db2.gz PUPPHPSRCYBIAJ-IBGZPJMESA-N 1 0 373.497 1.594 20 10 FDCDRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000161799902 525170479 /nfs/dbraw/zinc/17/04/79/525170479.db2.gz LWRRFYLJMVSZSE-VQIMIIECSA-N 1 0 361.486 1.639 20 10 FDCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000179746646 525623559 /nfs/dbraw/zinc/62/35/59/525623559.db2.gz LEUCUUMSZAZEKC-UHFFFAOYSA-N 1 0 350.440 1.941 20 10 FDCDRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000180772241 525751882 /nfs/dbraw/zinc/75/18/82/525751882.db2.gz JHZBOCBBQUTHTH-UHFFFAOYSA-N 1 0 368.430 1.746 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COCCOC)cc2F)CC1 ZINC000106702798 525773747 /nfs/dbraw/zinc/77/37/47/525773747.db2.gz PXDPDFKNROXQFH-UHFFFAOYSA-N 1 0 353.438 1.247 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccnnc3)CC2)cc1 ZINC000133629370 526078133 /nfs/dbraw/zinc/07/81/33/526078133.db2.gz 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COc1ccc(N2CC[NH+](C[C@@H](O)CNCc3nccs3)CC2)cc1 ZINC000818962341 943344685 /nfs/dbraw/zinc/34/46/85/943344685.db2.gz OXHFLLBXYNWUPC-INIZCTEOSA-N 1 0 362.499 1.424 20 10 FDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000819002984 943380674 /nfs/dbraw/zinc/38/06/74/943380674.db2.gz QHPWLBBZEWBPBI-CRAIPNDOSA-N 1 0 352.475 1.666 20 10 FDCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968263 943386054 /nfs/dbraw/zinc/38/60/54/943386054.db2.gz PCMXWXWYSSPHBT-PKOBYXMFSA-N 1 0 363.502 1.654 20 10 FDCDRO CC[C@H](COC)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819090596 943415938 /nfs/dbraw/zinc/41/59/38/943415938.db2.gz YKYOQLOLBMNNLK-AEFFLSMTSA-N 1 0 351.491 1.193 20 10 FDCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000819169209 943459536 /nfs/dbraw/zinc/45/95/36/943459536.db2.gz YDAOKYLPCOEEIZ-HNNXBMFYSA-N 1 0 373.453 1.657 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCSC(C)C)CC2)cc1 ZINC000819309804 943514170 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NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH+]ccc3N)cc2)C1 ZINC000844175884 947817430 /nfs/dbraw/zinc/81/74/30/947817430.db2.gz LOROKXHKECPKCE-CQSZACIVSA-N 1 0 353.426 1.126 20 10 FDCDRO CC[C@]1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000844190389 947828756 /nfs/dbraw/zinc/82/87/56/947828756.db2.gz LQOLGEHWRVYNBZ-HXUWFJFHSA-N 1 0 360.502 1.466 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000844224217 947859255 /nfs/dbraw/zinc/85/92/55/947859255.db2.gz DLRVQTKQLHSQLY-QFBILLFUSA-N 1 0 358.486 1.028 20 10 FDCDRO O=S(=O)(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC1 ZINC000772904208 948070242 /nfs/dbraw/zinc/07/02/42/948070242.db2.gz RXNPOSGAIVZDFP-UHFFFAOYSA-N 1 0 364.515 1.305 20 10 FDCDRO C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(N(C)C)cc1 ZINC000845123274 948745777 /nfs/dbraw/zinc/74/57/77/948745777.db2.gz ANYFCOUEPIFFCD-OAHLLOKOSA-N 1 0 361.490 1.229 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001144509109 949784787 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FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000846329964 950936590 /nfs/dbraw/zinc/93/65/90/950936590.db2.gz HONPGWLWIJCYSJ-MRXNPFEDSA-N 1 0 374.529 1.614 20 10 FDCDRO O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000846345929 950968813 /nfs/dbraw/zinc/96/88/13/950968813.db2.gz ZEVHYZDVSLEJAH-UHFFFAOYSA-N 1 0 358.486 1.409 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)C1 ZINC000846672774 951437280 /nfs/dbraw/zinc/43/72/80/951437280.db2.gz KWXRGLHNJHISMD-NEWSRXKRSA-N 1 0 370.497 1.535 20 10 FDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846677749 951441732 /nfs/dbraw/zinc/44/17/32/951441732.db2.gz SFNHKWRNWICEKO-RTBURBONSA-N 1 0 362.518 1.539 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 ZINC000846931337 951701475 /nfs/dbraw/zinc/70/14/75/951701475.db2.gz ZIGQQMOUXSGOSX-IBGZPJMESA-N 1 0 372.513 1.605 20 10 FDCDRO O=C(c1cccc(O)c1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001148213477 952647595 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COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000775374772 967749117 /nfs/dbraw/zinc/74/91/17/967749117.db2.gz FJMJAZVNFGXBOU-CYBMUJFWSA-N 1 0 364.442 1.853 20 10 FDCDRO CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376322 967766233 /nfs/dbraw/zinc/76/62/33/967766233.db2.gz STEJWYIMKQELQY-BFUOFWGJSA-N 1 0 371.437 1.655 20 10 FDCDRO CCOC(=O)c1cnc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)s1 ZINC000853450310 968019903 /nfs/dbraw/zinc/01/99/03/968019903.db2.gz UMPWNHOOQDABDG-SECBINFHSA-N 1 0 354.461 1.409 20 10 FDCDRO Cc1cc(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000855050077 970122933 /nfs/dbraw/zinc/12/29/33/970122933.db2.gz JKUNJPJEKSTKAE-VQTJNVASSA-N 1 0 353.466 1.914 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000855287986 970271650 /nfs/dbraw/zinc/27/16/50/970271650.db2.gz DTBGEZRZSUYTNU-GFCCVEGCSA-N 1 0 355.460 1.366 20 10 FDCDRO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@H+](CC)C1 ZINC000855491732 970414469 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ZINC000817918540 943077257 /nfs/dbraw/zinc/07/72/57/943077257.db2.gz KTYNWERVZJLJBR-UHFFFAOYSA-N 1 0 374.529 1.949 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000817919859 943077453 /nfs/dbraw/zinc/07/74/53/943077453.db2.gz ZXKAPAYGQKCQNP-WDSOQIARSA-N 1 0 372.513 1.687 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000817919127 943078160 /nfs/dbraw/zinc/07/81/60/943078160.db2.gz QCACBXOETLNLFW-FQEVSTJZSA-N 1 0 358.486 1.313 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817920121 943078780 /nfs/dbraw/zinc/07/87/80/943078780.db2.gz BFRNMISVHGDPAB-GOSISDBHSA-N 1 0 372.513 1.833 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[NH2+]1 ZINC000817920942 943078966 /nfs/dbraw/zinc/07/89/66/943078966.db2.gz YSVHFXSHEHRJLN-CALCHBBNSA-N 1 0 372.513 1.844 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000817922553 943079116 /nfs/dbraw/zinc/07/91/16/943079116.db2.gz XZVUOHKKAPKMLC-KRWDZBQOSA-N 1 0 360.502 1.689 20 10 FDCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000818333449 943230681 /nfs/dbraw/zinc/23/06/81/943230681.db2.gz WRGSVHIBPYPTDK-UHFFFAOYSA-N 1 0 366.483 1.353 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000818656278 943319199 /nfs/dbraw/zinc/31/91/99/943319199.db2.gz WOOVGSDESUXDQD-MAUKXSAKSA-N 1 0 362.474 1.281 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000818656294 943319305 /nfs/dbraw/zinc/31/93/05/943319305.db2.gz XDBNNNBHAKZPGQ-DAYGRLMNSA-N 1 0 362.474 1.279 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C3CCSCC3)CC2)cc1 ZINC000818995990 943376856 /nfs/dbraw/zinc/37/68/56/943376856.db2.gz ZXYBDCZPYLPTAS-SFHVURJKSA-N 1 0 365.543 1.663 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@H](C)OC)CC2)cc1 ZINC000819002748 943380123 /nfs/dbraw/zinc/38/01/23/943380123.db2.gz YQPIFFDHPHQEPT-WMZOPIPTSA-N 1 0 351.491 1.193 20 10 FDCDRO NC(=O)NC(=O)CC[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002054 943380580 /nfs/dbraw/zinc/38/05/80/943380580.db2.gz HPKAATYGISVDRT-UHFFFAOYSA-N 1 0 356.373 1.431 20 10 FDCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818967842 943384484 /nfs/dbraw/zinc/38/44/84/943384484.db2.gz CUQSZOFVAHNHFY-PKOBYXMFSA-N 1 0 363.502 1.511 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@]3(C)CCOC3)CC2)cc1 ZINC000819062337 943426431 /nfs/dbraw/zinc/42/64/31/943426431.db2.gz XEHXAARYCSXNMF-ICSRJNTNSA-N 1 0 363.502 1.194 20 10 FDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121114 943449508 /nfs/dbraw/zinc/44/95/08/943449508.db2.gz GTLHJTKZEZYCLP-YOEHRIQHSA-N 1 0 370.465 1.289 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccn(C)c3)CC2)cc1 ZINC000819129461 943452585 /nfs/dbraw/zinc/45/25/85/943452585.db2.gz JKUVTMLQHKTAPS-LJQANCHMSA-N 1 0 358.486 1.306 20 10 FDCDRO CC[NH+]1CCN(C[C@H](C)CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164414 943456510 /nfs/dbraw/zinc/45/65/10/943456510.db2.gz IYGGGFCVPHUJOO-INIZCTEOSA-N 1 0 374.485 1.430 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000819168611 943458541 /nfs/dbraw/zinc/45/85/41/943458541.db2.gz RYJNFDCSYNHFBW-LJQANCHMSA-N 1 0 374.460 1.502 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC000819177616 943462918 /nfs/dbraw/zinc/46/29/18/943462918.db2.gz OYRBWJKHVYFYMT-HXUWFJFHSA-N 1 0 371.481 1.674 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cccc(F)n3)CC2)cc1 ZINC000819182511 943465926 /nfs/dbraw/zinc/46/59/26/943465926.db2.gz FNUVCTKBIBYKGW-SFHVURJKSA-N 1 0 374.460 1.502 20 10 FDCDRO CCC1(C[NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)COC1 ZINC000819354476 943539712 /nfs/dbraw/zinc/53/97/12/943539712.db2.gz GZXMHKXQQBYHMO-SFHVURJKSA-N 1 0 363.502 1.194 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CC[C@H](O)CC3)CC2)cc1 ZINC000819374173 943562286 /nfs/dbraw/zinc/56/22/86/943562286.db2.gz JHUMSSDGPUTWEN-BHIYHBOVSA-N 1 0 363.502 1.071 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3cnc(CO)cn3)CC2)cc1 ZINC000820609543 944143610 /nfs/dbraw/zinc/14/36/10/944143610.db2.gz GUGUXEQZQWORLW-UHFFFAOYSA-N 1 0 357.458 1.602 20 10 FDCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436306 944503677 /nfs/dbraw/zinc/50/36/77/944503677.db2.gz MBMQJMDNOSBRRI-WMLDXEAASA-N 1 0 372.473 1.947 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000823510248 945818635 /nfs/dbraw/zinc/81/86/35/945818635.db2.gz URJFMGFVIKHDJW-INIZCTEOSA-N 1 0 353.413 1.902 20 10 FDCDRO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000824849381 946842553 /nfs/dbraw/zinc/84/25/53/946842553.db2.gz GCGKAYYZPRSBIF-MRXNPFEDSA-N 1 0 366.502 1.823 20 10 FDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824934151 946883690 /nfs/dbraw/zinc/88/36/90/946883690.db2.gz QOTOQEZKVQNOOV-CQSZACIVSA-N 1 0 358.232 1.901 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000844162504 947842559 /nfs/dbraw/zinc/84/25/59/947842559.db2.gz GEXNUNYBULWWPN-AWEZNQCLSA-N 1 0 371.470 1.353 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857101866 971580908 /nfs/dbraw/zinc/58/09/08/971580908.db2.gz MNSOBZJOUPMIMK-LUQKVYGDSA-N 1 0 372.513 1.448 20 10 FDCDRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000845834856 950010342 /nfs/dbraw/zinc/01/03/42/950010342.db2.gz SMIQWRUDXIOIIH-CYBMUJFWSA-N 1 0 367.446 1.559 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857244663 971670608 /nfs/dbraw/zinc/67/06/08/971670608.db2.gz JXIVZFVJJVAKFB-LAUBAEHRSA-N 1 0 372.513 1.831 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NCCC3CC[NH2+]CC3)ccc21 ZINC000846329139 950934423 /nfs/dbraw/zinc/93/44/23/950934423.db2.gz DCZNCTFYBKABOZ-UHFFFAOYSA-N 1 0 358.486 1.191 20 10 FDCDRO O=C(CN1C(=O)CSC1=S)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001144849506 951214310 /nfs/dbraw/zinc/21/43/10/951214310.db2.gz AEPFCGPYMQUMNC-UHFFFAOYSA-N 1 0 368.459 1.166 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846680907 951444251 /nfs/dbraw/zinc/44/42/51/951444251.db2.gz FSYURDSZAOHFKM-VQTJNVASSA-N 1 0 370.497 1.502 20 10 FDCDRO COc1cc(N2CC[NH+](CCCC(=O)N(C)C)CC2)cc(OC)c1OC ZINC000846855608 951652748 /nfs/dbraw/zinc/65/27/48/951652748.db2.gz HURZFFCLKHESOU-UHFFFAOYSA-N 1 0 365.474 1.703 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)cc1C ZINC001093623160 958370801 /nfs/dbraw/zinc/37/08/01/958370801.db2.gz OGLRUOFSPHXCDO-GDBMZVCRSA-N 1 0 370.453 1.997 20 10 FDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cccc(I)c2O)C1 ZINC001206444777 960646764 /nfs/dbraw/zinc/64/67/64/960646764.db2.gz KRIHQFPMQRCVRW-UWVGGRQHSA-N 1 0 350.175 1.868 20 10 FDCDRO COc1ccc(N2CC[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC2)c(OC)c1 ZINC001173767553 962661286 /nfs/dbraw/zinc/66/12/86/962661286.db2.gz IPYJMYZGUXAYBP-HOTGVXAUSA-N 1 0 372.473 1.996 20 10 FDCDRO C[NH+]1CCN(c2ccc(CCNC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC001184482896 963631687 /nfs/dbraw/zinc/63/16/87/963631687.db2.gz WILDXAKECWPECY-UHFFFAOYSA-N 1 0 373.428 1.961 20 10 FDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(CC[NH3+])S(C)(=O)=O)c1 ZINC001186826748 964788207 /nfs/dbraw/zinc/78/82/07/964788207.db2.gz PLCVETKPZPEXLW-UHFFFAOYSA-N 1 0 351.428 1.160 20 10 FDCDRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(N(C)C)cc1 ZINC000773859556 965326463 /nfs/dbraw/zinc/32/64/63/965326463.db2.gz VYYWCWIDEADTQO-CQSZACIVSA-N 1 0 372.473 1.327 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)COCC(C)C)CC2)cc1 ZINC001180753720 965529609 /nfs/dbraw/zinc/52/96/09/965529609.db2.gz XGVGOYWXLKWXDW-UHFFFAOYSA-N 1 0 363.502 1.996 20 10 FDCDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258037 967016264 /nfs/dbraw/zinc/01/62/64/967016264.db2.gz PFXPRHKQRHVXJJ-OAHLLOKOSA-N 1 0 362.474 1.800 20 10 FDCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852350382 967243367 /nfs/dbraw/zinc/24/33/67/967243367.db2.gz FREZMMBNBKJWAK-UHOSZYNNSA-N 1 0 363.502 1.525 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@](C)(CO)C3)CC2)cc1 ZINC000852701575 967545049 /nfs/dbraw/zinc/54/50/49/967545049.db2.gz RYKRQQRQPCUFPN-JXFKEZNVSA-N 1 0 361.486 1.294 20 10 FDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852791201 967609293 /nfs/dbraw/zinc/60/92/93/967609293.db2.gz ZBDGGQVGZYGDFH-INIZCTEOSA-N 1 0 353.438 1.155 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)C3([NH2+]C4CC4)CCC3)CC2)cc1 ZINC000852873494 967680242 /nfs/dbraw/zinc/68/02/42/967680242.db2.gz WRFXMYKERLKNRT-UHFFFAOYSA-N 1 0 372.513 1.608 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000852916258 967705078 /nfs/dbraw/zinc/70/50/78/967705078.db2.gz ASSXINMWENBSCQ-OAQYLSRUSA-N 1 0 365.477 1.978 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373033 967742504 /nfs/dbraw/zinc/74/25/04/967742504.db2.gz LHUXLQLYLMOOBR-RKDXNWHRSA-N 1 0 363.336 1.828 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000775376339 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C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000105160688 525470438 /nfs/dbraw/zinc/47/04/38/525470438.db2.gz VYJIFSAEPCHZSI-INIZCTEOSA-N 1 0 364.465 1.898 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000179658998 525611295 /nfs/dbraw/zinc/61/12/95/525611295.db2.gz XDUDEBRLGXAYPN-UHFFFAOYSA-N 1 0 354.414 1.400 20 10 FDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180478026 525710231 /nfs/dbraw/zinc/71/02/31/525710231.db2.gz IIOHUGUDQWVJNK-AWEZNQCLSA-N 1 0 373.494 1.641 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(=O)n(C)c3)cc2F)CC1 ZINC000106702608 525773355 /nfs/dbraw/zinc/77/33/55/525773355.db2.gz RKCVYCONWJVPMF-UHFFFAOYSA-N 1 0 372.444 1.596 20 10 FDCDRO C[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000120262228 526011985 /nfs/dbraw/zinc/01/19/85/526011985.db2.gz DTYKXNBYKVOBRE-UHFFFAOYSA-N 1 0 350.438 1.556 20 10 FDCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171714917 526089749 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CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000285834643 537325993 /nfs/dbraw/zinc/32/59/93/537325993.db2.gz CRFBVSVIXDQXHZ-INIZCTEOSA-N 1 0 358.486 1.526 20 10 FDCDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000284225203 537402754 /nfs/dbraw/zinc/40/27/54/537402754.db2.gz JZAQCQKYDFAALI-INIZCTEOSA-N 1 0 360.502 1.559 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000290834719 537416684 /nfs/dbraw/zinc/41/66/84/537416684.db2.gz UWWINPRWKRBKBI-IBGZPJMESA-N 1 0 372.513 1.844 20 10 FDCDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000275566623 537557030 /nfs/dbraw/zinc/55/70/30/537557030.db2.gz DYFPNILWQOPSLS-UHFFFAOYSA-N 1 0 371.437 1.499 20 10 FDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293757313 537583357 /nfs/dbraw/zinc/58/33/57/537583357.db2.gz XKSYVLCVPKWALT-CQSZACIVSA-N 1 0 352.822 1.975 20 10 FDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000285513246 537723971 /nfs/dbraw/zinc/72/39/71/537723971.db2.gz NQJGHMYVTHCXJH-DZGCQCFKSA-N 1 0 356.488 1.989 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CNC(=O)C2)C1 ZINC000580931497 551033744 /nfs/dbraw/zinc/03/37/44/551033744.db2.gz ILWMMDLXTDNCRS-AWEZNQCLSA-N 1 0 354.454 1.413 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000581109780 551052566 /nfs/dbraw/zinc/05/25/66/551052566.db2.gz SVMGVFLBBIRDCS-QGZVFWFLSA-N 1 0 368.481 1.755 20 10 FDCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000629917486 557860832 /nfs/dbraw/zinc/86/08/32/557860832.db2.gz CSKORKWXAASVRJ-HNNXBMFYSA-N 1 0 371.481 1.712 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737271857 599102586 /nfs/dbraw/zinc/10/25/86/599102586.db2.gz XMIFTFJDAQOBFW-ZDUSSCGKSA-N 1 0 367.461 1.269 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnns3)CC2)cc1 ZINC000054131679 671205105 /nfs/dbraw/zinc/20/51/05/671205105.db2.gz QFOQQPKKQKXWGI-UHFFFAOYSA-N 1 0 361.471 1.489 20 10 FDCDRO CN1CC[NH+](CCCCNC(=O)NCCCSc2nccs2)CC1 ZINC000153751447 671908123 /nfs/dbraw/zinc/90/81/23/671908123.db2.gz XHAWGZLLPPSMEK-UHFFFAOYSA-N 1 0 371.576 1.952 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)CF)CC2)cc1 ZINC000288710356 676043533 /nfs/dbraw/zinc/04/35/33/676043533.db2.gz ADUJGZKJQGNLMQ-OAHLLOKOSA-N 1 0 352.454 1.865 20 10 FDCDRO COc1cc(Cl)cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000289575596 676154884 /nfs/dbraw/zinc/15/48/84/676154884.db2.gz JSYNVKUBKVLNBV-UHFFFAOYSA-N 1 0 353.806 1.665 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCSCC[C@H]1C)cc2=O ZINC000279195572 675256494 /nfs/dbraw/zinc/25/64/94/675256494.db2.gz FMCQYOTZKPQRHX-LLVKDONJSA-N 1 0 350.444 1.939 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000366484685 677445278 /nfs/dbraw/zinc/44/52/78/677445278.db2.gz ULIAOOQGWXDQGW-NWDGAFQWSA-N 1 0 353.216 1.558 20 10 FDCDRO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373148641 678037671 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JECWEEZOQGKETP-IYBDPMFKSA-N 1 0 371.481 1.362 20 10 FDCDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087393 773161895 /nfs/dbraw/zinc/16/18/95/773161895.db2.gz PUZGJCGZTQQNPB-UHFFFAOYSA-N 1 0 361.490 1.091 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[NH+](C)C)cc1 ZINC000891247506 774094207 /nfs/dbraw/zinc/09/42/07/774094207.db2.gz HVTVKGFRTGPPNT-QFBILLFUSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2nc(C3CC3)nn2C)[NH+](C)C)cc1 ZINC000891248279 774102294 /nfs/dbraw/zinc/10/22/94/774102294.db2.gz XKBCEONANUDPJM-QGZVFWFLSA-N 1 0 370.501 1.720 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)[NH+](C)C)cc1 ZINC000891251072 774128686 /nfs/dbraw/zinc/12/86/86/774128686.db2.gz CZAJURQGTMRBAA-PHSGOXPASA-N 1 0 373.497 1.713 20 10 FDCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CCN(C)CC1 ZINC000891254270 774150491 /nfs/dbraw/zinc/15/04/91/774150491.db2.gz XZVWZHIWDJXBSV-LPHOPBHVSA-N 1 0 361.534 1.107 20 10 FDCDRO Cn1cncc1CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000276590504 778312099 /nfs/dbraw/zinc/31/20/99/778312099.db2.gz NCNXULPBDYGRBT-UHFFFAOYSA-N 1 0 356.470 1.878 20 10 FDCDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c(F)ccc(O)c1O ZINC000276594389 778328277 /nfs/dbraw/zinc/32/82/77/778328277.db2.gz NJWAOEJCGSVTCQ-CQSZACIVSA-N 1 0 360.385 1.734 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@]34CCOC4)CC2)cc1 ZINC000376361750 787458067 /nfs/dbraw/zinc/45/80/67/787458067.db2.gz UNZHXDVLQXDSRU-FPOVZHCZSA-N 1 0 373.497 1.750 20 10 FDCDRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000892647698 788010788 /nfs/dbraw/zinc/01/07/88/788010788.db2.gz KECYRDXEVGUVPU-UHFFFAOYSA-N 1 0 360.410 1.938 20 10 FDCDRO CC[S@@](=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893156299 793415424 /nfs/dbraw/zinc/41/54/24/793415424.db2.gz QJNXVDFMXCQAOM-VOIUYBSRSA-N 1 0 354.520 1.423 20 10 FDCDRO COc1ccc(N2CCC(N(C)C(=O)C3(OC)CC[NH2+]CC3)CC2)cc1 ZINC000378209169 793723762 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C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000911249903 858364155 /nfs/dbraw/zinc/36/41/55/858364155.db2.gz MBKUZOOSZSPMRB-CRAIPNDOSA-N 1 0 358.486 1.263 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC4(CCOC4)CC3)CC2)cc1 ZINC000761058243 863975726 /nfs/dbraw/zinc/97/57/26/863975726.db2.gz IXUYDKNKVAYDLS-UHFFFAOYSA-N 1 0 373.497 1.846 20 10 FDCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 ZINC000765977864 873953178 /nfs/dbraw/zinc/95/31/78/873953178.db2.gz JVKKZFNXTCZWSF-HNNXBMFYSA-N 1 0 362.499 1.989 20 10 FDCDRO COc1cccc(O)c1C[NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000922764787 879215861 /nfs/dbraw/zinc/21/58/61/879215861.db2.gz RUKRUWNLPBRWFZ-UHFFFAOYSA-N 1 0 371.437 1.265 20 10 FDCDRO COc1ccc(N2CCC[N@H+](CC3CN(S(C)(=O)=O)C3)CC2)cc1 ZINC000929316423 879328696 /nfs/dbraw/zinc/32/86/96/879328696.db2.gz PVQLYOSZJYYUDN-UHFFFAOYSA-N 1 0 353.488 1.099 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000922824822 879383120 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FDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1ncccn1 ZINC000112536853 903535643 /nfs/dbraw/zinc/53/56/43/903535643.db2.gz FYLDZHKGULYXAE-LSDHHAIUSA-N 1 0 355.442 1.991 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2C)cc1C ZINC001082490272 907997221 /nfs/dbraw/zinc/99/72/21/907997221.db2.gz MVIOXFWHMPUSOM-RDTXWAMCSA-N 1 0 359.470 1.418 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3nnc(C)[nH]3)C[C@H]2C)cc1C ZINC001082505618 908125197 /nfs/dbraw/zinc/12/51/97/908125197.db2.gz SAHWMSMNHYRYSY-CZUORRHYSA-N 1 0 357.458 1.609 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnn(CCF)c3)CC2)cc1 ZINC000921608576 908552740 /nfs/dbraw/zinc/55/27/40/908552740.db2.gz NVWSKRGEVARBHR-UHFFFAOYSA-N 1 0 361.465 1.773 20 10 FDCDRO CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C)C(N)=O ZINC001082952792 911127057 /nfs/dbraw/zinc/12/70/57/911127057.db2.gz URSJAQQUGNUEKR-DDTOSNHZSA-N 1 0 360.418 1.163 20 10 FDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000730817774 917349584 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ZINC000775652483 970938172 /nfs/dbraw/zinc/93/81/72/970938172.db2.gz ZZRYJYIAGFTJKU-UHFFFAOYSA-N 1 0 359.470 1.637 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000817853401 943017344 /nfs/dbraw/zinc/01/73/44/943017344.db2.gz MWRMZOPURPUACV-INIZCTEOSA-N 1 0 360.502 1.559 20 10 FDCDRO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000817816267 943020085 /nfs/dbraw/zinc/02/00/85/943020085.db2.gz FENVKVMDEGNWTA-INIZCTEOSA-N 1 0 374.529 1.709 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000817860953 943050251 /nfs/dbraw/zinc/05/02/51/943050251.db2.gz ZKXJTRHIMQNGKS-QGZVFWFLSA-N 1 0 374.529 1.662 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000817926990 943064076 /nfs/dbraw/zinc/06/40/76/943064076.db2.gz XFIZRLABKRSZRW-INIZCTEOSA-N 1 0 372.513 1.831 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000817918754 943076654 /nfs/dbraw/zinc/07/66/54/943076654.db2.gz MLGBAUNJCPKRCJ-UHFFFAOYSA-N 1 0 372.513 1.702 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000817918058 943077360 /nfs/dbraw/zinc/07/73/60/943077360.db2.gz GTFJIAHAFXFCKK-MSOLQXFVSA-N 1 0 372.513 1.559 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000817920334 943078545 /nfs/dbraw/zinc/07/85/45/943078545.db2.gz IIMUBWYJJRJYJQ-MRXNPFEDSA-N 1 0 358.486 1.456 20 10 FDCDRO C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)c(F)cc1[O-] ZINC000817946023 943090735 /nfs/dbraw/zinc/09/07/35/943090735.db2.gz QJLUNONITVWOIM-VIFPVBQESA-N 1 0 360.227 1.376 20 10 FDCDRO Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000818643498 943316605 /nfs/dbraw/zinc/31/66/05/943316605.db2.gz GDBPEXUVLINELP-QFBILLFUSA-N 1 0 364.449 1.940 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000818656014 943319686 /nfs/dbraw/zinc/31/96/86/943319686.db2.gz UYJNTIQYCQPVHY-CZUORRHYSA-N 1 0 368.428 1.818 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](C)S(C)(=O)=O)CC2)cc1 ZINC000818943588 943354552 /nfs/dbraw/zinc/35/45/52/943354552.db2.gz WBXQOXYOGHLXKX-MRXNPFEDSA-N 1 0 369.531 1.230 20 10 FDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212078 970985436 /nfs/dbraw/zinc/98/54/36/970985436.db2.gz HEZDIMRMFIUPTJ-MRXNPFEDSA-N 1 0 361.486 1.232 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCc3ccc(C)o3)CC2)cc1 ZINC000818958052 943365633 /nfs/dbraw/zinc/36/56/33/943365633.db2.gz IJNPENLSBWZZBJ-IBGZPJMESA-N 1 0 373.497 1.912 20 10 FDCDRO COC[C@@H](C)C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818978541 943368736 /nfs/dbraw/zinc/36/87/36/943368736.db2.gz KXKRGZQSBTUKKC-WMZOPIPTSA-N 1 0 351.491 1.050 20 10 FDCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967352 943385037 /nfs/dbraw/zinc/38/50/37/943385037.db2.gz UAHLAKZMDWVGMO-HLLBOEOZSA-N 1 0 370.465 1.553 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)CSC)CC2)cc1 ZINC000819087482 943413918 /nfs/dbraw/zinc/41/39/18/943413918.db2.gz JPANKSBMNDCGOL-RDJZCZTQSA-N 1 0 353.532 1.519 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCn3cccc3)CC2)cc1 ZINC000819119140 943447878 /nfs/dbraw/zinc/44/78/78/943447878.db2.gz QWPNLHVIGLLEAM-IBGZPJMESA-N 1 0 358.486 1.269 20 10 FDCDRO C[N@H+](C[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121864 943448469 /nfs/dbraw/zinc/44/84/69/943448469.db2.gz PDQUIMMRINJQEX-QGZVFWFLSA-N 1 0 351.466 1.332 20 10 FDCDRO C[N@H+](C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000819121862 943448612 /nfs/dbraw/zinc/44/86/12/943448612.db2.gz PDQUIMMRINJQEX-KRWDZBQOSA-N 1 0 351.466 1.332 20 10 FDCDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358689 943541280 /nfs/dbraw/zinc/54/12/80/943541280.db2.gz NZQBZFQSXAPJCH-HIFRSBDPSA-N 1 0 374.428 1.303 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000821340796 944445726 /nfs/dbraw/zinc/44/57/26/944445726.db2.gz FBNYGKKTJXXTBF-HNNXBMFYSA-N 1 0 372.473 1.854 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cc1 ZINC001136455083 944514880 /nfs/dbraw/zinc/51/48/80/944514880.db2.gz UQYJEGUNLPHPNH-HXUWFJFHSA-N 1 0 374.529 1.806 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000823548413 945843402 /nfs/dbraw/zinc/84/34/02/945843402.db2.gz NUAJZFCWRRYCKD-LJQANCHMSA-N 1 0 370.497 1.803 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOCC(C)(C)O)cc2F)CC1 ZINC000824307969 946330600 /nfs/dbraw/zinc/33/06/00/946330600.db2.gz HQJUEPSAQAVLMC-UHFFFAOYSA-N 1 0 368.453 1.469 20 10 FDCDRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000844175424 947818733 /nfs/dbraw/zinc/81/87/33/947818733.db2.gz HXJHXYPYPGJARN-AEFFLSMTSA-N 1 0 372.513 1.783 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000844222962 947853604 /nfs/dbraw/zinc/85/36/04/947853604.db2.gz ONBWRJAQQIREDF-FFZOFVMBSA-N 1 0 372.513 1.403 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](CCF)C3=O)cc2F)CC1 ZINC000844713467 948319451 /nfs/dbraw/zinc/31/94/51/948319451.db2.gz DOKPRHOROYFTCU-OAHLLOKOSA-N 1 0 366.412 1.748 20 10 FDCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(O)cc2O)N1Cc1cccnc1 ZINC001144510030 949788983 /nfs/dbraw/zinc/78/89/83/949788983.db2.gz PXUSFFODRMPDPB-IAGOWNOFSA-N 1 0 369.421 1.964 20 10 FDCDRO COC(=O)c1ccc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144514891 949802803 /nfs/dbraw/zinc/80/28/03/949802803.db2.gz WORKCVZNXWPRBM-UHFFFAOYSA-N 1 0 358.394 1.912 20 10 FDCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515773 949805498 /nfs/dbraw/zinc/80/54/98/949805498.db2.gz YEQMFZQQNUHOCG-ZDUSSCGKSA-N 1 0 352.431 1.699 20 10 FDCDRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O ZINC000845834798 950010271 /nfs/dbraw/zinc/01/02/71/950010271.db2.gz YOJNLZPANGZKOV-AWEZNQCLSA-N 1 0 351.447 1.853 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CC(CC4CC4)C3)CC2)cc1 ZINC000857211938 971650862 /nfs/dbraw/zinc/65/08/62/971650862.db2.gz FGEIQQKOFJZZDM-HXUWFJFHSA-N 1 0 359.514 1.910 20 10 FDCDRO Cc1cc(Br)cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846011133 950331054 /nfs/dbraw/zinc/33/10/54/950331054.db2.gz LXNKSLWSXPZUAA-UHFFFAOYSA-N 1 0 370.291 1.669 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857244662 971670762 /nfs/dbraw/zinc/67/07/62/971670762.db2.gz JXIVZFVJJVAKFB-DYESRHJHSA-N 1 0 372.513 1.831 20 10 FDCDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000846184313 950663988 /nfs/dbraw/zinc/66/39/88/950663988.db2.gz KDKIVGLGMVRZAP-MWLCHTKSSA-N 1 0 363.277 1.839 20 10 FDCDRO C[NH+](C)CC[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000846672452 951436036 /nfs/dbraw/zinc/43/60/36/951436036.db2.gz GSDXPTDTNQXQLH-MRXNPFEDSA-N 1 0 370.444 1.652 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)C1 ZINC000846672777 951437054 /nfs/dbraw/zinc/43/70/54/951437054.db2.gz KWXRGLHNJHISMD-NZSAHSFTSA-N 1 0 370.497 1.535 20 10 FDCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846962518 951734614 /nfs/dbraw/zinc/73/46/14/951734614.db2.gz UAZNLSMYEUQSOQ-DLBZAZTESA-N 1 0 365.449 1.028 20 10 FDCDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC001148213442 952647583 /nfs/dbraw/zinc/64/75/83/952647583.db2.gz AZWFGWUJEWJZEB-UHFFFAOYSA-N 1 0 361.442 1.257 20 10 FDCDRO NC(=[NH2+])N(C(=O)c1cc(O)c(O)c(O)c1)c1ccc(N2CCOCC2)cc1 ZINC001148590019 952760610 /nfs/dbraw/zinc/76/06/10/952760610.db2.gz VOBOODJICJBDHD-UHFFFAOYSA-N 1 0 372.381 1.180 20 10 FDCDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680365 961242349 /nfs/dbraw/zinc/24/23/49/961242349.db2.gz VADGQYHVERRRFK-SMDDNHRTSA-N 1 0 352.387 1.257 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774208593 961838900 /nfs/dbraw/zinc/83/89/00/961838900.db2.gz PRRWHKFQNKUQEQ-AEFFLSMTSA-N 1 0 358.486 1.372 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cccn3C)CC2)cc1 ZINC001177321447 963759843 /nfs/dbraw/zinc/75/98/43/963759843.db2.gz 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20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC000923537291 889665087 /nfs/dbraw/zinc/66/50/87/889665087.db2.gz VWIMHJLGGDXGLL-OAQYLSRUSA-N 1 0 372.513 1.562 20 10 FDCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)NC(=O)[C@@H]([NH3+])CO)n2)cc1 ZINC001212305521 889985767 /nfs/dbraw/zinc/98/57/67/889985767.db2.gz UWZDGSOULPBIFR-BBRMVZONSA-N 1 0 369.425 1.641 20 10 FDCDRO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](OC)C1 ZINC001082389760 907441722 /nfs/dbraw/zinc/44/17/22/907441722.db2.gz GPFQHLXZLZQDRQ-KCPJHIHWSA-N 1 0 363.418 1.313 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3COC(=O)C3)C[C@H]2C)cc1C ZINC001082475133 907933717 /nfs/dbraw/zinc/93/37/17/907933717.db2.gz JIUWWLAFRPRQGR-HYVNUMGLSA-N 1 0 360.454 1.893 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C)cc1C ZINC001082569198 908716379 /nfs/dbraw/zinc/71/63/79/908716379.db2.gz RYFYOXSDTBTQOL-RHSMWYFYSA-N 1 0 370.453 1.348 20 10 FDCDRO 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1.353 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000851682230 978995700 /nfs/dbraw/zinc/99/57/00/978995700.db2.gz TZQNZTIPFDNRJW-GOSISDBHSA-N 1 0 358.486 1.684 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000851685919 978997640 /nfs/dbraw/zinc/99/76/40/978997640.db2.gz HXWIOKIFOVFNHI-UHFFFAOYSA-N 1 0 362.449 1.238 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)cc1 ZINC000881083494 979644371 /nfs/dbraw/zinc/64/43/71/979644371.db2.gz CWJXAWQFGJXVAE-MJGOQNOKSA-N 1 0 372.473 1.182 20 10 FDCDRO CN(C)c1ccc(CNC(=O)Cn2cc(-c3ccc(C[NH3+])cc3)nn2)cc1 ZINC000881094809 979656617 /nfs/dbraw/zinc/65/66/17/979656617.db2.gz TXGNCOYAYVEBHS-UHFFFAOYSA-N 1 0 364.453 1.786 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 ZINC000881849505 980209983 /nfs/dbraw/zinc/20/99/83/980209983.db2.gz DVNXRDGPOJVPDU-QGZVFWFLSA-N 1 0 372.513 1.702 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc2)CC1 ZINC000881850008 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FDCDRO C[C@H](NC(=O)NCCOCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000861566065 983780810 /nfs/dbraw/zinc/78/08/10/983780810.db2.gz HQCAUCVZAABZBM-HNNXBMFYSA-N 1 0 350.463 1.249 20 10 FDCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000862474417 984397182 /nfs/dbraw/zinc/39/71/82/984397182.db2.gz SHJIKVPKUIUEOJ-SFHVURJKSA-N 1 0 352.406 1.426 20 10 FDCDRO COCCOC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000884895886 984941846 /nfs/dbraw/zinc/94/18/46/984941846.db2.gz POGDYXLELLICPZ-UHFFFAOYSA-N 1 0 351.447 1.580 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1(O)CCOCC1 ZINC000872200938 987512120 /nfs/dbraw/zinc/51/21/20/987512120.db2.gz NFNTWHMLOYSIPC-INIZCTEOSA-N 1 0 368.449 1.044 20 10 FDCDRO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000872660615 987923228 /nfs/dbraw/zinc/92/32/28/987923228.db2.gz SBPRMYBWGUYKLW-GOSISDBHSA-N 1 0 354.406 1.404 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C34CCCC4)CC2)cc1 ZINC000292892386 987924044 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358.486 1.345 20 10 FDCDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877145029 993068672 /nfs/dbraw/zinc/06/86/72/993068672.db2.gz BEWZJJCPERSGGA-NXHRZFHOSA-N 1 0 372.513 1.925 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@@H](OC)C[NH2+]3)CC2)c(OC)c1 ZINC000877227927 993119155 /nfs/dbraw/zinc/11/91/55/993119155.db2.gz QPYADSLNCPWHPZ-DNVCBOLYSA-N 1 0 363.458 1.119 20 10 FDCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877606601 993375731 /nfs/dbraw/zinc/37/57/31/993375731.db2.gz GIOJNNDGPKXHRL-MRXNPFEDSA-N 1 0 360.502 1.200 20 10 FDCDRO C[C@@]12C[NH+](Cc3c(O)cccc3Br)C[C@@]1(C)C(=O)NC2=O ZINC000877667401 993423909 /nfs/dbraw/zinc/42/39/09/993423909.db2.gz FTPUSXWAAIXQAE-GJZGRUSLSA-N 1 0 353.216 1.639 20 10 FDCDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000877719708 993475177 /nfs/dbraw/zinc/47/51/77/993475177.db2.gz FIUGATMSNZOIKN-GASCZTMLSA-N 1 0 372.425 1.632 20 10 FDCDRO 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O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891415228 776966619 /nfs/dbraw/zinc/96/66/19/776966619.db2.gz OVAKSPOKDQQWPL-HNNXBMFYSA-N 1 0 368.428 1.567 20 10 FDCDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(O)c1OC ZINC000891499253 778147804 /nfs/dbraw/zinc/14/78/04/778147804.db2.gz URFKEHLBWZWQOW-UHFFFAOYSA-N 1 0 364.442 1.480 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2F)CC1 ZINC000891528220 778221945 /nfs/dbraw/zinc/22/19/45/778221945.db2.gz MYRUJKZKLXVPFK-WKILWMFISA-N 1 0 363.481 1.504 20 10 FDCDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000277291872 781348787 /nfs/dbraw/zinc/34/87/87/781348787.db2.gz BUKDAYQGAFZPGS-WMLDXEAASA-N 1 0 365.449 1.293 20 10 FDCDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@H]2C1 ZINC000892115751 781588098 /nfs/dbraw/zinc/58/80/98/781588098.db2.gz SGWAUUDGXNZNRU-QAPCUYQASA-N 1 0 362.449 1.508 20 10 FDCDRO COc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)c(O)c1OC ZINC000892543919 787137698 /nfs/dbraw/zinc/13/76/98/787137698.db2.gz QBLJOLZXVHCFFF-UHFFFAOYSA-N 1 0 359.426 1.931 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892623330 787797133 /nfs/dbraw/zinc/79/71/33/787797133.db2.gz VMIBDEILTVFQBT-HIFRSBDPSA-N 1 0 356.463 1.575 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(O)CCCC3)CC2)cc1 ZINC000123781949 795794738 /nfs/dbraw/zinc/79/47/38/795794738.db2.gz PGNFIJLGAQYCCX-UHFFFAOYSA-N 1 0 361.486 1.629 20 10 FDCDRO COc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)nn1C ZINC000893608177 807043454 /nfs/dbraw/zinc/04/34/54/807043454.db2.gz RDOHDICRRGDFMV-UHFFFAOYSA-N 1 0 357.458 1.419 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCc3n[nH]cc3C2)[NH+](C)C)cc1 ZINC000893717658 809396205 /nfs/dbraw/zinc/39/62/05/809396205.db2.gz WJFVHYPFJJFMER-QFBILLFUSA-N 1 0 370.501 1.935 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237834428 809522807 /nfs/dbraw/zinc/52/28/07/809522807.db2.gz TWSBHIPAKWNMEV-LJQANCHMSA-N 1 0 369.440 1.993 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419715753 812129552 /nfs/dbraw/zinc/12/95/52/812129552.db2.gz ZNAOVMYQBDWPCM-OAHLLOKOSA-N 1 0 356.470 1.703 20 10 FDCDRO COC(=O)c1c(CNC[C@@H]2C[N@H+](C)CCN2C)c2cc(F)ccc2n1C ZINC000894255077 813963811 /nfs/dbraw/zinc/96/38/11/813963811.db2.gz ABEIZIIIAIQDSK-CQSZACIVSA-N 1 0 362.449 1.439 20 10 FDCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCOC4(C[NH2+]C4)C3)ccc21 ZINC000664728339 817778597 /nfs/dbraw/zinc/77/85/97/817778597.db2.gz WVIWOJZVIQIRQW-UHFFFAOYSA-N 1 0 357.454 1.719 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCN2CCC(O)CC2)c2cc(F)ccc2n1C ZINC000894915522 819353098 /nfs/dbraw/zinc/35/30/98/819353098.db2.gz CLVPWSNOMRDSOA-UHFFFAOYSA-N 1 0 363.433 1.650 20 10 FDCDRO CCO[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000097405768 820452748 /nfs/dbraw/zinc/45/27/48/820452748.db2.gz ANLFTGWWSKFJRJ-RBUKOAKNSA-N 1 0 361.486 1.749 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1OC ZINC000895585243 822660924 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840904245 /nfs/dbraw/zinc/90/42/45/840904245.db2.gz NZXAHKKSKQYUII-HNNXBMFYSA-N 1 0 360.502 1.554 20 10 FDCDRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1O ZINC000927027665 843341056 /nfs/dbraw/zinc/34/10/56/843341056.db2.gz UXJOPKGGLYHOCY-PSASIEDQSA-N 1 0 352.250 1.211 20 10 FDCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898723447 845109831 /nfs/dbraw/zinc/10/98/31/845109831.db2.gz ZANOFCDTHOWICF-UHFFFAOYSA-N 1 0 365.455 1.405 20 10 FDCDRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000842170457 845238071 /nfs/dbraw/zinc/23/80/71/845238071.db2.gz GMDAZADZDXRMQD-UHFFFAOYSA-N 1 0 356.470 1.137 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)[C@H](F)C2)[NH+](C)C)cc1 ZINC000899095711 845756881 /nfs/dbraw/zinc/75/68/81/845756881.db2.gz LEBBPTVKSTVVDF-IXDOHACOSA-N 1 0 352.454 1.470 20 10 FDCDRO CO[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000899095394 845756950 /nfs/dbraw/zinc/75/69/50/845756950.db2.gz JCVNZKXIBPGLIP-IAGOWNOFSA-N 1 0 350.463 1.370 20 10 FDCDRO Cc1nnc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000899097501 845759789 /nfs/dbraw/zinc/75/97/89/845759789.db2.gz BJZNKLJLZZPPBS-INIZCTEOSA-N 1 0 360.462 1.888 20 10 FDCDRO COCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101393 845773467 /nfs/dbraw/zinc/77/34/67/845773467.db2.gz HNVJYCNFIQFIGK-WBVHZDCISA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(=O)N(C)CC2)[NH+](C)C)cc1 ZINC000899098811 845792338 /nfs/dbraw/zinc/79/23/38/845792338.db2.gz SKYUUVQDWVQKPB-KRWDZBQOSA-N 1 0 361.490 1.229 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2Cc3cncn3C2)[NH+](C)C)cc1 ZINC000899099151 845793639 /nfs/dbraw/zinc/79/36/39/845793639.db2.gz WELLVSNOXXWDMY-CRAIPNDOSA-N 1 0 356.474 1.476 20 10 FDCDRO COc1ccc(N2CC[C@@H](NS(=O)(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000905345313 851841710 /nfs/dbraw/zinc/84/17/10/851841710.db2.gz HJJMELFJRIGKKY-OAHLLOKOSA-N 1 0 353.488 1.193 20 10 FDCDRO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905429818 851935814 /nfs/dbraw/zinc/93/58/14/851935814.db2.gz KMYUFQNUKFNSCD-SCTDSRPQSA-N 1 0 363.502 1.193 20 10 FDCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905915690 852405275 /nfs/dbraw/zinc/40/52/75/852405275.db2.gz VDRKRYUKUUQQBR-PKOBYXMFSA-N 1 0 350.459 1.110 20 10 FDCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000906739583 853244127 /nfs/dbraw/zinc/24/41/27/853244127.db2.gz PCTPHSBEJDYMHA-UHFFFAOYSA-N 1 0 374.529 1.005 20 10 FDCDRO C[C@H]1CCN(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000908459278 855443624 /nfs/dbraw/zinc/44/36/24/855443624.db2.gz DVUMKERWFGTWNY-WMLDXEAASA-N 1 0 354.520 1.532 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(N)cc2)[NH+](C)C)cc1 ZINC000908460253 855445756 /nfs/dbraw/zinc/44/57/56/855445756.db2.gz QOGQKFVVZSUIEM-SFHVURJKSA-N 1 0 362.499 1.916 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC[C@@H]1C[NH3+] ZINC000911053664 858048253 /nfs/dbraw/zinc/04/82/53/858048253.db2.gz BJLUXNRZKHTAFL-NWDGAFQWSA-N 1 0 356.517 1.185 20 10 FDCDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCSc1nccs1)C2 ZINC000911054436 858049712 /nfs/dbraw/zinc/04/97/12/858049712.db2.gz HSHOOXXCJZJKDV-SRVKXCTJSA-N 1 0 354.501 1.080 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1C[NH3+] ZINC000911111457 858149457 /nfs/dbraw/zinc/14/94/57/858149457.db2.gz HQIKPBVLTIBKAG-RHSMWYFYSA-N 1 0 358.486 1.129 20 10 FDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159834 858242879 /nfs/dbraw/zinc/24/28/79/858242879.db2.gz STLQHMCDKTTWIB-SFHVURJKSA-N 1 0 356.470 1.280 20 10 FDCDRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911286965 858457056 /nfs/dbraw/zinc/45/70/56/858457056.db2.gz BDXRBTAOPJEZIQ-UHFFFAOYSA-N 1 0 372.513 1.841 20 10 FDCDRO CCC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1O ZINC000170779065 864941470 /nfs/dbraw/zinc/94/14/70/864941470.db2.gz RADCHKLAYOMTDM-UHFFFAOYSA-N 1 0 369.469 1.743 20 10 FDCDRO CN1CCCc2cc(CNS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)ccc21 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COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000775206035 966626099 /nfs/dbraw/zinc/62/60/99/966626099.db2.gz UGEZJPWBYGTPRA-AZUAARDMSA-N 1 0 364.486 1.369 20 10 FDCDRO O=C(C[NH2+][C@H](CO)C1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852320453 967219965 /nfs/dbraw/zinc/21/99/65/967219965.db2.gz LGERSGNFHWGKCG-QGZVFWFLSA-N 1 0 365.449 1.029 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@@H]3[C@@H](C)O)CC2)cc1 ZINC000852557893 967424018 /nfs/dbraw/zinc/42/40/18/967424018.db2.gz BKBNQTRGCTZTTH-IMFGXOCKSA-N 1 0 363.502 1.023 20 10 FDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000852784129 967603422 /nfs/dbraw/zinc/60/34/22/967603422.db2.gz DKPCAHKNZWTNAI-KRWDZBQOSA-N 1 0 372.473 1.124 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc1 ZINC000852790889 967609167 /nfs/dbraw/zinc/60/91/67/967609167.db2.gz CABUBRPJEQTJJS-NQIIRXRSSA-N 1 0 366.465 1.327 20 10 FDCDRO CN(C)C(=O)C1CCC(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000852792513 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/nfs/dbraw/zinc/64/69/06/975646906.db2.gz KTDJXUKANQJXRE-ZDUSSCGKSA-N 1 0 365.453 1.031 20 10 FDCDRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866745343 975987514 /nfs/dbraw/zinc/98/75/14/975987514.db2.gz FHWPWPYSXFFUNM-UHFFFAOYSA-N 1 0 352.504 1.305 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848426906 976727028 /nfs/dbraw/zinc/72/70/28/976727028.db2.gz QMDFOCOJGSZMCI-RDTXWAMCSA-N 1 0 366.845 1.937 20 10 FDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000848546248 976898221 /nfs/dbraw/zinc/89/82/21/976898221.db2.gz WIRWUJLRDZATRQ-BMIGLBTASA-N 1 0 359.264 1.881 20 10 FDCDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000848564601 976904575 /nfs/dbraw/zinc/90/45/75/976904575.db2.gz PGATWLMTBVQCAE-HIFRSBDPSA-N 1 0 359.449 1.999 20 10 FDCDRO [NH2+]=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CCCO1 ZINC000849014540 977290264 /nfs/dbraw/zinc/29/02/64/977290264.db2.gz RHAMNLDPJBOKNN-OAHLLOKOSA-N 1 0 350.438 1.580 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000849327881 977429479 /nfs/dbraw/zinc/42/94/79/977429479.db2.gz WOZIMDMWSOWRGA-FQEVSTJZSA-N 1 0 374.506 1.615 20 10 FDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000849327882 977429573 /nfs/dbraw/zinc/42/95/73/977429573.db2.gz WOZIMDMWSOWRGA-HXUWFJFHSA-N 1 0 374.506 1.615 20 10 FDCDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299660 977469615 /nfs/dbraw/zinc/46/96/15/977469615.db2.gz LBIYKEKIXQJEDD-SFHVURJKSA-N 1 0 367.405 1.534 20 10 FDCDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299933 977469628 /nfs/dbraw/zinc/46/96/28/977469628.db2.gz PTTSLJYLJYYPQU-UHFFFAOYSA-N 1 0 355.369 1.658 20 10 FDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849572195 977772916 /nfs/dbraw/zinc/77/29/16/977772916.db2.gz LKXFQSKNAMLLRL-COXVUDFISA-N 1 0 372.469 1.614 20 10 FDCDRO CN(C)c1ccncc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356851 978333584 /nfs/dbraw/zinc/33/35/84/978333584.db2.gz ZGDDPJXHNANVOS-UHFFFAOYSA-N 1 0 374.510 1.672 20 10 FDCDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509268 978410032 /nfs/dbraw/zinc/41/00/32/978410032.db2.gz QFMJOECMSJIVGF-HNAYVOBHSA-N 1 0 368.449 1.481 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000850567875 978439912 /nfs/dbraw/zinc/43/99/12/978439912.db2.gz LDNWNQBTFVZRBZ-OAHLLOKOSA-N 1 0 366.527 1.951 20 10 FDCDRO [NH3+]CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000850756146 978662053 /nfs/dbraw/zinc/66/20/53/978662053.db2.gz OUZVCUJGTIPOKK-HNNXBMFYSA-N 1 0 374.407 1.727 20 10 FDCDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(O)c1 ZINC000776498603 978713176 /nfs/dbraw/zinc/71/31/76/978713176.db2.gz OXFURHJCPTZSGF-WMLDXEAASA-N 1 0 355.456 1.617 20 10 FDCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@H]1F ZINC000851655388 978986273 /nfs/dbraw/zinc/98/62/73/978986273.db2.gz SNFKMVUCIWAWAP-HZPDHXFCSA-N 1 0 352.479 1.821 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C[NH3+])C1 ZINC000851684308 978996623 /nfs/dbraw/zinc/99/66/23/978996623.db2.gz FFCFCADXNZUAAE-PBHICJAKSA-N 1 0 358.486 1.271 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000851686788 978998274 /nfs/dbraw/zinc/99/82/74/978998274.db2.gz SZNMMBRNNZERHC-UHFFFAOYSA-N 1 0 370.497 1.489 20 10 FDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851689706 979000021 /nfs/dbraw/zinc/00/00/21/979000021.db2.gz RYQUSJVPGDQAJG-CABCVRRESA-N 1 0 362.474 1.024 20 10 FDCDRO C[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000851717876 979012974 /nfs/dbraw/zinc/01/29/74/979012974.db2.gz PGPKTMIYPWCGJL-UHFFFAOYSA-N 1 0 358.490 1.939 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1F ZINC000851806899 979057252 /nfs/dbraw/zinc/05/72/52/979057252.db2.gz BDHGAWLWSRXMSR-FQEVSTJZSA-N 1 0 373.428 1.329 20 10 FDCDRO Cc1cc(C(=O)Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)n1-c1ccccc1C ZINC000881227819 979753993 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C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000875507071 991668821 /nfs/dbraw/zinc/66/88/21/991668821.db2.gz AFEJQGVPLHOMRK-YOEHRIQHSA-N 1 0 361.490 1.453 20 10 FDCDRO Cc1ccc(O)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000875576692 991758024 /nfs/dbraw/zinc/75/80/24/991758024.db2.gz AOPVKFALXVJIFA-ALOPSCKCSA-N 1 0 374.485 1.583 20 10 FDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC[C@@H]21 ZINC000875749145 991969870 /nfs/dbraw/zinc/96/98/70/991969870.db2.gz IETCRLHZHIDWPT-PXNSSMCTSA-N 1 0 372.513 1.883 20 10 FDCDRO C[NH+](C)CCn1c2cc(C(=O)NCCc3ccc(N)cc3)ccc2[nH]c1=O ZINC000876528133 992685863 /nfs/dbraw/zinc/68/58/63/992685863.db2.gz MALYDHDBCMUJNP-UHFFFAOYSA-N 1 0 367.453 1.858 20 10 FDCDRO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876582007 992718863 /nfs/dbraw/zinc/71/88/63/992718863.db2.gz SYOYUMLZAANWHL-INIZCTEOSA-N 1 0 367.515 1.161 20 10 FDCDRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687212 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COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c1 ZINC000926962543 996373921 /nfs/dbraw/zinc/37/39/21/996373921.db2.gz BNYVAWMLMUPJPH-AWEZNQCLSA-N 1 0 371.437 1.484 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cncc(O)c3)CC2)cc1 ZINC000264825583 997625978 /nfs/dbraw/zinc/62/59/78/997625978.db2.gz IARGWALURSDMJP-UHFFFAOYSA-N 1 0 370.453 1.738 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)Cc3cccnc3)CC2)cc1 ZINC000264864629 997640862 /nfs/dbraw/zinc/64/08/62/997640862.db2.gz RTUANNNXDREOSK-UHFFFAOYSA-N 1 0 354.454 1.571 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000889659524 998507888 /nfs/dbraw/zinc/50/78/88/998507888.db2.gz XQDAEMICRQUXNT-QGZVFWFLSA-N 1 0 360.502 1.741 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000889660958 998510433 /nfs/dbraw/zinc/51/04/33/998510433.db2.gz NDMGCTBIDWYBFK-YLJYHZDGSA-N 1 0 358.486 1.616 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](O)CC(F)(F)C3)cc2)CC1 ZINC000889665305 998514988 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367.471 1.320 20 10 FDCDRO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000072981103 522438363 /nfs/dbraw/zinc/43/83/63/522438363.db2.gz LIRMKECVKUKNBV-IRXDYDNUSA-N 1 0 361.486 1.591 20 10 FDCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054514195 523650765 /nfs/dbraw/zinc/65/07/65/523650765.db2.gz KCUCEAARVGUHPO-UHFFFAOYSA-N 1 0 356.444 1.415 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000122311972 524506725 /nfs/dbraw/zinc/50/67/25/524506725.db2.gz AWVUJPHFOLFIDE-RDJZCZTQSA-N 1 0 358.486 1.948 20 10 FDCDRO O=C(c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1)N1CCNC(=O)C1 ZINC000113323693 524672323 /nfs/dbraw/zinc/67/23/23/524672323.db2.gz JOJCYGGDCGOXBX-UHFFFAOYSA-N 1 0 373.840 1.907 20 10 FDCDRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)cn1 ZINC000153992276 525385587 /nfs/dbraw/zinc/38/55/87/525385587.db2.gz YAMVSIFGTQMBIA-UHFFFAOYSA-N 1 0 350.444 1.069 20 10 FDCDRO Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1C1CC[NH2+]CC1 ZINC000166473435 525582662 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537525158 /nfs/dbraw/zinc/52/51/58/537525158.db2.gz BKFOBJBKJNCJQO-FPYGCLRLSA-N 1 0 369.469 1.760 20 10 FDCDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1c(F)ccc(O)c1O ZINC000276505897 537558052 /nfs/dbraw/zinc/55/80/52/537558052.db2.gz DBRSXYBCXQPUCT-KGLIPLIRSA-N 1 0 352.406 1.735 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000291406094 537582680 /nfs/dbraw/zinc/58/26/80/537582680.db2.gz BTTFFEAPGGVAAJ-UHFFFAOYSA-N 1 0 374.529 1.665 20 10 FDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000295139003 537710847 /nfs/dbraw/zinc/71/08/47/537710847.db2.gz ZFXPUYFZCWCGRI-GFCCVEGCSA-N 1 0 365.293 1.881 20 10 FDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285608376 537736530 /nfs/dbraw/zinc/73/65/30/537736530.db2.gz VPNYWYNRWQTDGE-XJKSGUPXSA-N 1 0 356.488 1.989 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1OC ZINC000371361870 537821609 /nfs/dbraw/zinc/82/16/09/537821609.db2.gz VKIVPKLPWFLLSI-CYBMUJFWSA-N 1 0 358.460 1.312 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCNC2=O)C1 ZINC000568188242 548430281 /nfs/dbraw/zinc/43/02/81/548430281.db2.gz UDPYEPQQUOISEI-KRWDZBQOSA-N 1 0 368.481 1.803 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569378939 548897725 /nfs/dbraw/zinc/89/77/25/548897725.db2.gz ICLBXNBKZDQNRO-MRXNPFEDSA-N 1 0 368.481 1.798 20 10 FDCDRO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000278231289 675108669 /nfs/dbraw/zinc/10/86/69/675108669.db2.gz KJRPMXSBUVVPPB-WFASDCNBSA-N 1 0 357.401 1.737 20 10 FDCDRO CCN1C(=O)C(=CNCCC[NH+]2CCCCCC2)C(=O)N(CC)C1=S ZINC000060865448 671290401 /nfs/dbraw/zinc/29/04/01/671290401.db2.gz ARAFKGZQXBBTAY-UHFFFAOYSA-N 1 0 366.531 1.722 20 10 FDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000091963841 671514109 /nfs/dbraw/zinc/51/41/09/671514109.db2.gz GMPLJQULPDEVIU-UHFFFAOYSA-N 1 0 367.515 1.379 20 10 FDCDRO CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1cc(Br)ccc1O ZINC000174424511 672094139 /nfs/dbraw/zinc/09/41/39/672094139.db2.gz RUBREWBEPMIWET-UHFFFAOYSA-N 1 0 370.247 1.965 20 10 FDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000182571623 672214619 /nfs/dbraw/zinc/21/46/19/672214619.db2.gz FTROMRPIATXWIR-ZDUSSCGKSA-N 1 0 358.479 1.700 20 10 FDCDRO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000187836699 672287378 /nfs/dbraw/zinc/28/73/78/672287378.db2.gz ZVEQGJOEIMEANH-CQSZACIVSA-N 1 0 353.488 1.065 20 10 FDCDRO COCC[NH+](CCOC)C1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000289623817 676159792 /nfs/dbraw/zinc/15/97/92/676159792.db2.gz LSFOIJKQFMCFTI-UHFFFAOYSA-N 1 0 352.475 1.960 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCSCC[C@@H]1C)cc2=O ZINC000279195575 675256484 /nfs/dbraw/zinc/25/64/84/675256484.db2.gz FMCQYOTZKPQRHX-NSHDSACASA-N 1 0 350.444 1.939 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1F ZINC000285508634 675831703 /nfs/dbraw/zinc/83/17/03/675831703.db2.gz NXMDYBZKSWFKJO-CQSZACIVSA-N 1 0 355.479 1.938 20 10 FDCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292791824 676315114 /nfs/dbraw/zinc/31/51/14/676315114.db2.gz MNSADNUBETZGMO-GFCCVEGCSA-N 1 0 363.277 1.620 20 10 FDCDRO COc1cc(O)c(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000360791283 676875421 /nfs/dbraw/zinc/87/54/21/676875421.db2.gz FESITKWXDZFBSX-HZPDHXFCSA-N 1 0 350.459 1.831 20 10 FDCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1O ZINC000367923194 677496825 /nfs/dbraw/zinc/49/68/25/677496825.db2.gz FJPHTMOFEFXUDZ-CMPLNLGQSA-N 1 0 355.232 1.731 20 10 FDCDRO COC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000370578896 677594040 /nfs/dbraw/zinc/59/40/40/677594040.db2.gz DQKWOOMDZKQSAQ-RISCZKNCSA-N 1 0 361.364 1.501 20 10 FDCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CSC(=O)N1 ZINC000372365630 677903684 /nfs/dbraw/zinc/90/36/84/677903684.db2.gz KUKDRPHYCYEVRP-QWHCGFSZSA-N 1 0 369.874 1.951 20 10 FDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000378145068 678703481 /nfs/dbraw/zinc/70/34/81/678703481.db2.gz BAKUVGVQKCSFQG-LJQANCHMSA-N 1 0 350.459 1.762 20 10 FDCDRO COC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378175655 678711229 /nfs/dbraw/zinc/71/12/29/678711229.db2.gz NWOXXHXCFYDVOO-ZDUSSCGKSA-N 1 0 355.822 1.482 20 10 FDCDRO O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC000378235472 678723873 /nfs/dbraw/zinc/72/38/73/678723873.db2.gz RCIUJEVACWJRIV-CABCVRRESA-N 1 0 374.890 1.718 20 10 FDCDRO COc1ccc(O)c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000378459769 678748733 /nfs/dbraw/zinc/74/87/33/678748733.db2.gz ZPKYHGUZOGENOX-UHFFFAOYSA-N 1 0 354.472 1.837 20 10 FDCDRO O=C(C[N@@H+](CCO)C1CCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000275807536 773909532 /nfs/dbraw/zinc/90/95/32/773909532.db2.gz HJDMYDUXALZIAO-UHFFFAOYSA-N 1 0 365.449 1.125 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccnc2C(N)=O)[NH+](C)C)cc1 ZINC000891246331 774087346 /nfs/dbraw/zinc/08/73/46/774087346.db2.gz ATUNYQCSEGNLDY-INIZCTEOSA-N 1 0 355.442 1.279 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3nncn3C2)[NH+](C)C)cc1 ZINC000891247390 774093956 /nfs/dbraw/zinc/09/39/56/774093956.db2.gz JTGKEPUFUXDBPU-WBVHZDCISA-N 1 0 356.474 1.326 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCn3cncc3C2)[NH+](C)C)cc1 ZINC000891247502 774094160 /nfs/dbraw/zinc/09/41/60/774094160.db2.gz HVTVKGFRTGPPNT-APWZRJJASA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnc3c2nnn3C)[NH+](C)C)cc1 ZINC000891249655 774110102 /nfs/dbraw/zinc/11/01/02/774110102.db2.gz RSISUOLFDUCFGA-INIZCTEOSA-N 1 0 367.457 1.462 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCn2cnccc2=O)[NH+](C)C)cc1 ZINC000891250163 774120913 /nfs/dbraw/zinc/12/09/13/774120913.db2.gz UZVBUKLUOABDJP-QGZVFWFLSA-N 1 0 357.458 1.119 20 10 FDCDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891251095 774128542 /nfs/dbraw/zinc/12/85/42/774128542.db2.gz DRZUYRSMTZHHKV-FUHWJXTLSA-N 1 0 360.502 1.730 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCSC2=O)[NH+](C)C)cc1 ZINC000891256543 774164573 /nfs/dbraw/zinc/16/45/73/774164573.db2.gz ZMEWKXOIXVENMP-HNNXBMFYSA-N 1 0 350.488 1.640 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2nc3ncccn3n2)[NH+](C)C)cc1 ZINC000891255421 774169628 /nfs/dbraw/zinc/16/96/28/774169628.db2.gz OWDFPSJPRDNQPX-MRXNPFEDSA-N 1 0 367.457 1.152 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCCCCC2=O)[NH+](C)C)cc1 ZINC000891257594 774173237 /nfs/dbraw/zinc/17/32/37/774173237.db2.gz IXBSBFZHRQIMQW-SFHVURJKSA-N 1 0 360.502 1.874 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC[NH2+]1 ZINC000892096966 781508690 /nfs/dbraw/zinc/50/86/90/781508690.db2.gz KWALDJKYQMDRSP-WMLDXEAASA-N 1 0 373.501 1.328 20 10 FDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000892486262 785182567 /nfs/dbraw/zinc/18/25/67/785182567.db2.gz TVURPUPOJAHWTB-ROUUACIJSA-N 1 0 364.465 1.632 20 10 FDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)ccc21 ZINC000892492827 785262052 /nfs/dbraw/zinc/26/20/52/785262052.db2.gz UOUMDIXJQBTVDH-UXHICEINSA-N 1 0 372.513 1.810 20 10 FDCDRO Cc1ccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(O)c1O ZINC000376308721 787215147 /nfs/dbraw/zinc/21/51/47/787215147.db2.gz SYGVETAOKQRUQM-UHFFFAOYSA-N 1 0 361.486 1.896 20 10 FDCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C)cc1C ZINC001104891396 794237449 /nfs/dbraw/zinc/23/74/49/794237449.db2.gz FLUSMRAQIWTRGG-NVXWUHKLSA-N 1 0 371.485 1.939 20 10 FDCDRO CC(=O)N[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000893607872 807041723 /nfs/dbraw/zinc/04/17/23/807041723.db2.gz MDRHBLWYDOWZMY-FQEVSTJZSA-N 1 0 372.513 1.750 20 10 FDCDRO CN(Cc1ccccc1O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066986740 807793975 /nfs/dbraw/zinc/79/39/75/807793975.db2.gz CFTDBMOQAVPJKZ-UHFFFAOYSA-N 1 0 369.469 1.881 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279041844 808167112 /nfs/dbraw/zinc/16/71/12/808167112.db2.gz QSLKSPJUSMHPAJ-MRXNPFEDSA-N 1 0 369.469 1.595 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2ccnn2C)[NH+](C)C)cc1 ZINC000894216791 811271086 /nfs/dbraw/zinc/27/10/86/811271086.db2.gz JOYLFLCXAWPMRF-SFHVURJKSA-N 1 0 358.490 1.631 20 10 FDCDRO CCS(=O)(=O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894222470 811389178 /nfs/dbraw/zinc/38/91/78/811389178.db2.gz UIOFBHMNLOUMNI-UHFFFAOYSA-N 1 0 356.419 1.628 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1OC ZINC000271727651 814464498 /nfs/dbraw/zinc/46/44/98/814464498.db2.gz MEOBBLFZYGNDQI-OAHLLOKOSA-N 1 0 364.442 1.623 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C)(OC)CC3)CC2)cc1 ZINC000271800684 814481111 /nfs/dbraw/zinc/48/11/11/814481111.db2.gz WONWYIXRWWIJNJ-UHFFFAOYSA-N 1 0 361.486 1.845 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@@H](O)c2cnn(C)c2)c2cc(F)ccc2n1C ZINC000894315602 816545534 /nfs/dbraw/zinc/54/55/34/816545534.db2.gz LHJHHLYLYKRKSS-MRXNPFEDSA-N 1 0 360.389 1.661 20 10 FDCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H](O)CN3CCCC3=O)CC2)cc1 ZINC000366686627 817470264 /nfs/dbraw/zinc/47/02/64/817470264.db2.gz GMXUATZHFSNOOW-GOSISDBHSA-N 1 0 361.486 1.579 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NOC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000894372512 817833069 /nfs/dbraw/zinc/83/30/69/817833069.db2.gz KIUWCJVVMXCBGG-PBHICJAKSA-N 1 0 350.463 1.623 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](CCCCCO)CC2)cc1OC ZINC000894963961 819405931 /nfs/dbraw/zinc/40/59/31/819405931.db2.gz HLVBOPSNSAZUCP-UHFFFAOYSA-N 1 0 353.419 1.897 20 10 FDCDRO CCc1ccc([C@@H](CNC=C2C(=O)N(C)C(=O)N(C)C2=O)[NH+](C)C)cc1 ZINC000029006332 819997978 /nfs/dbraw/zinc/99/79/78/819997978.db2.gz FHWDIYFNHQQNHM-MRXNPFEDSA-N 1 0 358.442 1.376 20 10 FDCDRO COC(=O)c1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000895608422 822670559 /nfs/dbraw/zinc/67/05/59/822670559.db2.gz MEVAVYPTVKJABY-UHFFFAOYSA-N 1 0 360.483 1.971 20 10 FDCDRO COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895861649 822768520 /nfs/dbraw/zinc/76/85/20/822768520.db2.gz GFIGRHQAENIQOE-RTBURBONSA-N 1 0 361.486 1.639 20 10 FDCDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC000895879482 822778080 /nfs/dbraw/zinc/77/80/80/822778080.db2.gz TVOJRFVVQRVXIQ-CALCHBBNSA-N 1 0 358.486 1.351 20 10 FDCDRO COc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000897053483 826832507 /nfs/dbraw/zinc/83/25/07/826832507.db2.gz SKPLYGCWMYSQEP-GFCCVEGCSA-N 1 0 356.488 1.809 20 10 FDCDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc(O)c1O ZINC000249131758 836457045 /nfs/dbraw/zinc/45/70/45/836457045.db2.gz LRYOVLKRKFYHPS-RDJZCZTQSA-N 1 0 356.422 1.711 20 10 FDCDRO CN(C)c1ccc([C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)[NH+](C)C)cc1 ZINC000897525477 836509841 /nfs/dbraw/zinc/50/98/41/836509841.db2.gz OZYNLIDDDBWDSD-OAHLLOKOSA-N 1 0 355.446 1.850 20 10 FDCDRO O=C(NCc1cccc(Br)c1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897576685 839711988 /nfs/dbraw/zinc/71/19/88/839711988.db2.gz MCLURZHDEMKBRD-LBPRGKRZSA-N 1 0 355.232 1.492 20 10 FDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897692623 840256300 /nfs/dbraw/zinc/25/63/00/840256300.db2.gz YKIMXJHLJZWSNC-SFHVURJKSA-N 1 0 352.431 1.862 20 10 FDCDRO C[C@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000897783044 840391340 /nfs/dbraw/zinc/39/13/40/840391340.db2.gz HZXAXXVGCSPNIB-WMZOPIPTSA-N 1 0 372.513 1.607 20 10 FDCDRO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)N1CCO ZINC000897905655 840565812 /nfs/dbraw/zinc/56/58/12/840565812.db2.gz PGGOGOOOMDXHSA-PHIMTYICSA-N 1 0 350.440 1.840 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1F ZINC000842007100 840601656 /nfs/dbraw/zinc/60/16/56/840601656.db2.gz RYJBPPPKFGOFSV-OAHLLOKOSA-N 1 0 366.437 1.044 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)C3C[NH+](C4CCOCC4)C3)C2)cc1 ZINC000898007704 840660392 /nfs/dbraw/zinc/66/03/92/840660392.db2.gz SFGNWPXAZMBZAF-MRXNPFEDSA-N 1 0 373.497 1.749 20 10 FDCDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000842030107 840805764 /nfs/dbraw/zinc/80/57/64/840805764.db2.gz QKKZVLJXCJNMMN-STQMWFEESA-N 1 0 366.893 1.656 20 10 FDCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050319 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1.879 20 10 FDCDRO [NH3+]C1CCC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000842229739 845768406 /nfs/dbraw/zinc/76/84/06/845768406.db2.gz MSRUPKRXCPVVMC-UHFFFAOYSA-N 1 0 371.437 1.900 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000899102823 845775319 /nfs/dbraw/zinc/77/53/19/845775319.db2.gz SJDMXARVWXUESL-KGLIPLIRSA-N 1 0 362.396 1.578 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899102609 845775491 /nfs/dbraw/zinc/77/54/91/845775491.db2.gz RGSLSMZJLCRHAP-ZWKOTPCHSA-N 1 0 374.489 1.122 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](CO)CC(F)F)[NH+](C)C)cc1 ZINC000899104944 845778304 /nfs/dbraw/zinc/77/83/04/845778304.db2.gz SWWLDCAQTAUTQD-DZGCQCFKSA-N 1 0 358.433 1.671 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCc3ncncc3C2)[NH+](C)C)cc1 ZINC000899098506 845791337 /nfs/dbraw/zinc/79/13/37/845791337.db2.gz PBZKFPQKYNBRIZ-LJQANCHMSA-N 1 0 368.485 1.913 20 10 FDCDRO CC(C)[C@H](CO)ONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C 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ZINC000816619294 942279629 /nfs/dbraw/zinc/27/96/29/942279629.db2.gz ABUHLHMFTRANQD-GOSISDBHSA-N 1 0 365.543 1.695 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834166 942996260 /nfs/dbraw/zinc/99/62/60/942996260.db2.gz YMXSWAJWJYIEMU-QAPCUYQASA-N 1 0 360.502 1.871 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000817829297 943037909 /nfs/dbraw/zinc/03/79/09/943037909.db2.gz VLDKZEJTKPDKMM-UHFFFAOYSA-N 1 0 365.437 1.641 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000817860341 943049068 /nfs/dbraw/zinc/04/90/68/943049068.db2.gz ISTNFXDCTHCZID-LPHOPBHVSA-N 1 0 374.529 1.661 20 10 FDCDRO OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)cc2F)CC1 ZINC000817895366 943069046 /nfs/dbraw/zinc/06/90/46/943069046.db2.gz UGXVXPIPVSVGIA-PMACEKPBSA-N 1 0 363.477 1.643 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817917721 943076485 /nfs/dbraw/zinc/07/64/85/943076485.db2.gz DKHRGJCZYZMGST-SJLPKXTDSA-N 1 0 358.486 1.312 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000817919627 943077301 /nfs/dbraw/zinc/07/73/01/943077301.db2.gz WEHWWPPWQSYHFQ-HXUWFJFHSA-N 1 0 358.486 1.313 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000817922534 943079260 /nfs/dbraw/zinc/07/92/60/943079260.db2.gz XROZPMKIYSKNNF-SFHVURJKSA-N 1 0 374.529 1.949 20 10 FDCDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926703 943082375 /nfs/dbraw/zinc/08/23/75/943082375.db2.gz SKZFKMWUUNUYBX-INIZCTEOSA-N 1 0 358.486 1.454 20 10 FDCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000817942242 943089152 /nfs/dbraw/zinc/08/91/52/943089152.db2.gz NEJMJFRLPNVDGK-JFUPDXTOSA-N 1 0 353.532 1.945 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000817990905 943125107 /nfs/dbraw/zinc/12/51/07/943125107.db2.gz DHJYJXWBQHHGPT-SJORKVTESA-N 1 0 372.513 1.844 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000818655299 943318388 /nfs/dbraw/zinc/31/83/88/943318388.db2.gz KPXSQIBUBWSMHM-MAUKXSAKSA-N 1 0 362.474 1.199 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000818655301 943318951 /nfs/dbraw/zinc/31/89/51/943318951.db2.gz KPXSQIBUBWSMHM-YJBOKZPZSA-N 1 0 362.474 1.199 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000818655785 943320215 /nfs/dbraw/zinc/32/02/15/943320215.db2.gz QRVODBKJDNKINT-IUODEOHRSA-N 1 0 356.417 1.803 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CC1=O ZINC000827978191 943334799 /nfs/dbraw/zinc/33/47/99/943334799.db2.gz KFGFGKFBAUFGCT-ARFHVFGLSA-N 1 0 359.470 1.902 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)Cn3ccnc3)CC2)cc1 ZINC000818960086 943343046 /nfs/dbraw/zinc/34/30/46/943343046.db2.gz XKWQSYGGDQBJFS-MJGOQNOKSA-N 1 0 373.501 1.053 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNCc3nccs3)CC2)cc1 ZINC000818962342 943344728 /nfs/dbraw/zinc/34/47/28/943344728.db2.gz OXHFLLBXYNWUPC-MRXNPFEDSA-N 1 0 362.499 1.424 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000819119182 943447909 /nfs/dbraw/zinc/44/79/09/943447909.db2.gz SAZRJWZPVYLUFI-DOTOQJQBSA-N 1 0 351.516 1.273 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNOCCSC)CC2)cc1 ZINC000819278293 943524176 /nfs/dbraw/zinc/52/41/76/943524176.db2.gz NMMKVAWLXFIVPJ-INIZCTEOSA-N 1 0 355.504 1.062 20 10 FDCDRO COC(=O)CN1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000822494912 945035057 /nfs/dbraw/zinc/03/50/57/945035057.db2.gz YCMHVUIQTDXPPP-INIZCTEOSA-N 1 0 361.486 1.749 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CN=C(c3cnn(C)c3)O2)cc1 ZINC001195790640 971232076 /nfs/dbraw/zinc/23/20/76/971232076.db2.gz UTHCDSITKVBQAG-SFHVURJKSA-N 1 0 357.458 1.642 20 10 FDCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824559004 946534891 /nfs/dbraw/zinc/53/48/91/946534891.db2.gz BZAILPHHMFPKHC-KRWDZBQOSA-N 1 0 351.466 1.599 20 10 FDCDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824883270 946866022 /nfs/dbraw/zinc/86/60/22/946866022.db2.gz HPGCGRJRBLNOJU-UHFFFAOYSA-N 1 0 370.291 1.751 20 10 FDCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000825278612 947102483 /nfs/dbraw/zinc/10/24/83/947102483.db2.gz GCNYSODDUFFINB-UHFFFAOYSA-N 1 0 366.462 1.815 20 10 FDCDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000844173954 947815402 /nfs/dbraw/zinc/81/54/02/947815402.db2.gz GKTFYKLQVKHGID-BETUJISGSA-N 1 0 357.376 1.896 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000844172466 947815566 /nfs/dbraw/zinc/81/55/66/947815566.db2.gz GZTNJXJAFYEUEC-ZIAGYGMSSA-N 1 0 365.449 1.434 20 10 FDCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000844176711 947818876 /nfs/dbraw/zinc/81/88/76/947818876.db2.gz VYWCVVASTJIGHX-OXQOHEQNSA-N 1 0 358.486 1.537 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C3CC3)C3CC[NH2+]CC3)CC2)cc1 ZINC000844218100 947843571 /nfs/dbraw/zinc/84/35/71/947843571.db2.gz QVJPLMJKWMDGLG-UHFFFAOYSA-N 1 0 372.513 1.560 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000844222961 947853375 /nfs/dbraw/zinc/85/33/75/947853375.db2.gz ONBWRJAQQIREDF-DBVUQKKJSA-N 1 0 372.513 1.403 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000844400911 948030761 /nfs/dbraw/zinc/03/07/61/948030761.db2.gz HOJIUNWAASTKBP-MRXNPFEDSA-N 1 0 369.531 1.735 20 10 FDCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCOC1 ZINC000844403587 948034334 /nfs/dbraw/zinc/03/43/34/948034334.db2.gz GXURJEQRSHULIT-SFHVURJKSA-N 1 0 361.486 1.845 20 10 FDCDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCCSc1nccs1)C2 ZINC000857101701 971580324 /nfs/dbraw/zinc/58/03/24/971580324.db2.gz NBPMDXRZFATXMZ-XHDPSFHLSA-N 1 0 354.501 1.081 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c(O)c1 ZINC001144508703 949711662 /nfs/dbraw/zinc/71/16/62/949711662.db2.gz VQNRMJLLITZCQN-FZKQIMNGSA-N 1 0 372.425 1.321 20 10 FDCDRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144507785 949733021 /nfs/dbraw/zinc/73/30/21/949733021.db2.gz CMYQCJSRMGWNSJ-KRWDZBQOSA-N 1 0 370.471 1.584 20 10 FDCDRO COCCN1C(=O)CCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144508946 949784871 /nfs/dbraw/zinc/78/48/71/949784871.db2.gz FAWPPQQYWVVEBZ-UHFFFAOYSA-N 1 0 350.415 1.407 20 10 FDCDRO O=C([C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC12CCOCC2)N1CC=CC1 ZINC001144509684 949785779 /nfs/dbraw/zinc/78/57/79/949785779.db2.gz IAIRXQAEYMFDTH-MRXNPFEDSA-N 1 0 374.437 1.430 20 10 FDCDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515772 949806556 /nfs/dbraw/zinc/80/65/56/949806556.db2.gz YEQMFZQQNUHOCG-CYBMUJFWSA-N 1 0 352.431 1.699 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(=O)cc[nH]3)cc2F)CC1 ZINC001144592646 950010009 /nfs/dbraw/zinc/01/00/09/950010009.db2.gz MJYAXGOMMQKNAR-UHFFFAOYSA-N 1 0 358.417 1.586 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C2CC2)cc1 ZINC000857245557 971671641 /nfs/dbraw/zinc/67/16/41/971671641.db2.gz SXAGSOOLYFESEU-IIBYNOLFSA-N 1 0 370.497 1.583 20 10 FDCDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846183152 950661230 /nfs/dbraw/zinc/66/12/30/950661230.db2.gz FARRESJDUKZZCB-HIFRSBDPSA-N 1 0 371.478 1.347 20 10 FDCDRO CC[NH+]1CCN(CCC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000846447042 951068803 /nfs/dbraw/zinc/06/88/03/951068803.db2.gz OPHXCTYULFRRRT-UHFFFAOYSA-N 1 0 362.518 1.617 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000846673961 951439021 /nfs/dbraw/zinc/43/90/21/951439021.db2.gz YOKFZAYLAFYPFZ-VBQJREDUSA-N 1 0 366.481 1.335 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846680910 951444088 /nfs/dbraw/zinc/44/40/88/951444088.db2.gz FSYURDSZAOHFKM-WOJBJXKFSA-N 1 0 370.497 1.502 20 10 FDCDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680358 961241255 /nfs/dbraw/zinc/24/12/55/961241255.db2.gz VADGQYHVERRRFK-BXUZGUMPSA-N 1 0 352.387 1.257 20 10 FDCDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001172661075 961727152 /nfs/dbraw/zinc/72/71/52/961727152.db2.gz LSLONMKMIPNUTL-VQIMIIECSA-N 1 0 356.422 1.912 20 10 FDCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)CNS(N)(=O)=O)c1O ZINC001183620524 963195240 /nfs/dbraw/zinc/19/52/40/963195240.db2.gz SXDLTEWTHYQKTD-UHFFFAOYSA-N 1 0 366.281 1.124 20 10 FDCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000774690233 963313274 /nfs/dbraw/zinc/31/32/74/963313274.db2.gz PQUPUYJEEPIZON-XEZPLFJOSA-N 1 0 351.399 1.361 20 10 FDCDRO CCC(=O)N1CCC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC001177428776 963839439 /nfs/dbraw/zinc/83/94/39/963839439.db2.gz HOQJRUCOPPEHJP-KRWDZBQOSA-N 1 0 372.513 1.879 20 10 FDCDRO CN(c1cnn(CCC[NH+](C)C)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001186969047 964917073 /nfs/dbraw/zinc/91/70/73/964917073.db2.gz QSIHQBLBYOTLFY-UHFFFAOYSA-N 1 0 351.476 1.383 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001187607558 965558550 /nfs/dbraw/zinc/55/85/50/965558550.db2.gz YTNBSPUQFGKWAY-HYXAFXHYSA-N 1 0 361.398 1.738 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000775261478 967007838 /nfs/dbraw/zinc/00/78/38/967007838.db2.gz VJQVHIUPMWTCFZ-INIZCTEOSA-N 1 0 354.454 1.885 20 10 FDCDRO C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[N@H+](C)C1CC1 ZINC000852190900 967077905 /nfs/dbraw/zinc/07/79/05/967077905.db2.gz HMOSGDCFIAPEKS-OAHLLOKOSA-N 1 0 360.502 1.930 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)Cc3c[nH]cn3)CC2)cc1 ZINC000852288687 967190742 /nfs/dbraw/zinc/19/07/42/967190742.db2.gz RWJZMOZRKCGDQG-GOSISDBHSA-N 1 0 359.474 1.033 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)C[C@H]3C[NH3+])CC2)cc1 ZINC000852760282 967586859 /nfs/dbraw/zinc/58/68/59/967586859.db2.gz YHDGKZHQDNELGS-AEFFLSMTSA-N 1 0 360.502 1.403 20 10 FDCDRO O=C(NCCCSc1nccs1)c1cnnn1C1CC[NH2+]CC1 ZINC000852805580 967620096 /nfs/dbraw/zinc/62/00/96/967620096.db2.gz FCXFPQRJIUJFHX-UHFFFAOYSA-N 1 0 352.489 1.571 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852851302 967657246 /nfs/dbraw/zinc/65/72/46/967657246.db2.gz BSABPYPESKFFSL-GXTWGEPZSA-N 1 0 357.248 1.867 20 10 FDCDRO CN1CCCc2cc(CNC(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)ccc21 ZINC000852863879 967669541 /nfs/dbraw/zinc/66/95/41/967669541.db2.gz STBQMLVSZLKDFZ-KRWDZBQOSA-N 1 0 368.485 1.905 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cc(C(C)(C)[NH3+])no3)CC2)cc1F ZINC000852872279 967679237 /nfs/dbraw/zinc/67/92/37/967679237.db2.gz KWCUPFDXCOMEJJ-UHFFFAOYSA-N 1 0 362.405 1.979 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852889787 967692361 /nfs/dbraw/zinc/69/23/61/967692361.db2.gz KBAWSMFDRRWKDW-UHFFFAOYSA-N 1 0 356.470 1.281 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)cc1 ZINC000852900803 967695901 /nfs/dbraw/zinc/69/59/01/967695901.db2.gz RVAPYZNVRRDDIW-INIZCTEOSA-N 1 0 369.469 1.366 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000852916640 967705313 /nfs/dbraw/zinc/70/53/13/967705313.db2.gz OIEKQTFDNUTXNJ-MRXNPFEDSA-N 1 0 353.413 1.509 20 10 FDCDRO O=C(NCC[NH+]1CCCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853015652 967775303 /nfs/dbraw/zinc/77/53/03/967775303.db2.gz UTAOCLJZKZNKRN-UHFFFAOYSA-N 1 0 360.502 1.933 20 10 FDCDRO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000854231289 968701882 /nfs/dbraw/zinc/70/18/82/968701882.db2.gz IQCDVLBJJZHNTA-CYBMUJFWSA-N 1 0 364.446 1.942 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3(O)CC[NH+](C)CC3)C2)cc1 ZINC000854299958 968746909 /nfs/dbraw/zinc/74/69/09/968746909.db2.gz MWYUOYDPVKOOET-OAHLLOKOSA-N 1 0 362.474 1.030 20 10 FDCDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc(O)c1O ZINC001193120312 969485212 /nfs/dbraw/zinc/48/52/12/969485212.db2.gz SPBVPPRFNSYKEN-HDJSIYSDSA-N 1 0 350.415 1.480 20 10 FDCDRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000112744679 970007826 /nfs/dbraw/zinc/00/78/26/970007826.db2.gz VEKIIOOKQCVSCW-UHFFFAOYSA-N 1 0 364.465 1.900 20 10 FDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000776813214 970389796 /nfs/dbraw/zinc/38/97/96/970389796.db2.gz VBFRVLJOWSLVSB-OALUTQOASA-N 1 0 350.459 1.433 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863553266 973010245 /nfs/dbraw/zinc/01/02/45/973010245.db2.gz YIQINAFVMPCYSS-GDBMZVCRSA-N 1 0 372.435 1.828 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863553269 973010440 /nfs/dbraw/zinc/01/04/40/973010440.db2.gz YIQINAFVMPCYSS-ZBFHGGJFSA-N 1 0 372.435 1.828 20 10 FDCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000863751570 973172812 /nfs/dbraw/zinc/17/28/12/973172812.db2.gz KBRPTEVCZYUIKC-HNNXBMFYSA-N 1 0 372.469 1.680 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)C[C@@](C)(O)C3CC3)CC2)cc1F ZINC000863968821 973337807 /nfs/dbraw/zinc/33/78/07/973337807.db2.gz OYQGCTULMLGQFX-VQIMIIECSA-N 1 0 352.450 1.868 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000867302007 973904225 /nfs/dbraw/zinc/90/42/25/973904225.db2.gz HXLMQTSDZLHVNK-AEFFLSMTSA-N 1 0 358.486 1.264 20 10 FDCDRO CC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001199270487 974105508 /nfs/dbraw/zinc/10/55/08/974105508.db2.gz KDKNVDYAWBWRMJ-KZMDQRICSA-N 1 0 359.430 1.980 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)c3c[nH]cn3)cc2F)CC1 ZINC000865203069 974181834 /nfs/dbraw/zinc/18/18/34/974181834.db2.gz YVBVCGAOMVGLNG-KRWDZBQOSA-N 1 0 361.421 1.041 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@]34COC(=O)N3CCOC4)CC2)cc1 ZINC000865770290 974475497 /nfs/dbraw/zinc/47/54/97/974475497.db2.gz JVLBCORSDDQVGC-IBGZPJMESA-N 1 0 361.442 1.475 20 10 FDCDRO C[NH+](C)CCN1CCN(Cc2cc(Br)ccc2O)CC1=O ZINC000846010584 975114251 /nfs/dbraw/zinc/11/42/51/975114251.db2.gz GCEFFXCWSVJVKD-UHFFFAOYSA-N 1 0 356.264 1.361 20 10 FDCDRO COc1ccc(N2CC[C@H](CNS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000867428314 975238454 /nfs/dbraw/zinc/23/84/54/975238454.db2.gz JKVJHTKSEIVCEN-OAHLLOKOSA-N 1 0 355.504 1.393 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C[C@H](C)O)C3CC3)CC2)cc1 ZINC000847097374 975328939 /nfs/dbraw/zinc/32/89/39/975328939.db2.gz WHPUWMYZCZYPDI-LPHOPBHVSA-N 1 0 363.502 1.023 20 10 FDCDRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000866603573 975826792 /nfs/dbraw/zinc/82/67/92/975826792.db2.gz BJFRROIYKPZMCA-OAHLLOKOSA-N 1 0 355.504 1.455 20 10 FDCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1O ZINC000848553506 976901002 /nfs/dbraw/zinc/90/10/02/976901002.db2.gz UGSBMHKSARAKLS-ONGXEEELSA-N 1 0 371.235 1.467 20 10 FDCDRO CCc1cccc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)c1O ZINC000848894584 977227895 /nfs/dbraw/zinc/22/78/95/977227895.db2.gz KQHUQJBAJRQJPQ-UHFFFAOYSA-N 1 0 369.469 1.573 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3ncc4ncccc43)CC2)cc1 ZINC000849325379 977426892 /nfs/dbraw/zinc/42/68/92/977426892.db2.gz GXLZXYRQWJYXOA-KRWDZBQOSA-N 1 0 367.453 1.623 20 10 FDCDRO C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1O ZINC000868309917 977487553 /nfs/dbraw/zinc/48/75/53/977487553.db2.gz NGZHYOJWXLFGMR-ACJLOTCBSA-N 1 0 369.421 1.869 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000868356933 977526232 /nfs/dbraw/zinc/52/62/32/977526232.db2.gz JOQTZNJJIXBVNN-CALCHBBNSA-N 1 0 358.486 1.454 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000850058501 978133744 /nfs/dbraw/zinc/13/37/44/978133744.db2.gz DEKPRMQPFNRZKE-MRXNPFEDSA-N 1 0 353.470 1.821 20 10 FDCDRO CC[C@@H](C)C[NH2+]CCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000850365784 978339415 /nfs/dbraw/zinc/33/94/15/978339415.db2.gz ORMRCHLRIZBPEM-MRXNPFEDSA-N 1 0 369.531 1.783 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)Cn3cncn3)CC2)cc1 ZINC000850422067 978366025 /nfs/dbraw/zinc/36/60/25/978366025.db2.gz DPXGUISJSSVLOO-KRWDZBQOSA-N 1 0 358.490 1.477 20 10 FDCDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565883 978439148 /nfs/dbraw/zinc/43/91/48/978439148.db2.gz JAUWSYYSLYKIHB-UHFFFAOYSA-N 1 0 367.515 1.161 20 10 FDCDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000851654756 978985834 /nfs/dbraw/zinc/98/58/34/978985834.db2.gz HYUMEYNLOMPFGH-QGZVFWFLSA-N 1 0 366.481 1.959 20 10 FDCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000851664315 978989374 /nfs/dbraw/zinc/98/93/74/978989374.db2.gz WLRNVLCFPIKBBP-LJQANCHMSA-N 1 0 360.502 1.964 20 10 FDCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC000851681277 978995281 /nfs/dbraw/zinc/99/52/81/978995281.db2.gz NDQNDDSLCYKHJM-LSTHTHJFSA-N 1 0 372.513 1.917 20 10 FDCDRO COc1cc(N2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)cc(OC)c1OC ZINC000851936429 979200616 /nfs/dbraw/zinc/20/06/16/979200616.db2.gz MTOZHJJCQNLSAU-OAHLLOKOSA-N 1 0 366.458 1.986 20 10 FDCDRO CN(C)c1ccc(CNC(=O)Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)cc1 ZINC000881094338 979656424 /nfs/dbraw/zinc/65/64/24/979656424.db2.gz IMAUGQVPNWHJDK-LJQANCHMSA-N 1 0 372.473 1.087 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc(C(C)(C)C)nn3)CC2)cc1 ZINC000881418808 979926460 /nfs/dbraw/zinc/92/64/60/979926460.db2.gz ITYWILPXWYSTMH-QGZVFWFLSA-N 1 0 373.501 1.767 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)c3ccco3)cc2)CC1 ZINC000881848880 980208707 /nfs/dbraw/zinc/20/87/07/980208707.db2.gz COPJOPMLSJGQQP-UHFFFAOYSA-N 1 0 370.453 1.468 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4cncc4C3)cc2)CC1 ZINC000881851978 980214128 /nfs/dbraw/zinc/21/41/28/980214128.db2.gz FIEAYFNGEGBVHL-QGZVFWFLSA-N 1 0 353.470 1.514 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4ncncc4C3)cc2)CC1 ZINC000881853279 980217171 /nfs/dbraw/zinc/21/71/71/980217171.db2.gz PDGLBLQRPNTFQQ-KRWDZBQOSA-N 1 0 365.481 1.650 20 10 FDCDRO CCCN1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000881853310 980217183 /nfs/dbraw/zinc/21/71/83/980217183.db2.gz QSQUZZIANRLYOW-KRWDZBQOSA-N 1 0 358.486 1.313 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc2)CC1 ZINC000881853906 980218222 /nfs/dbraw/zinc/21/82/22/980218222.db2.gz OBBCRSKJQWBZDL-INIZCTEOSA-N 1 0 361.490 1.138 20 10 FDCDRO COCc1ncsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854004 980219137 /nfs/dbraw/zinc/21/91/37/980219137.db2.gz ROSKPGYGWHCRRC-UHFFFAOYSA-N 1 0 360.483 1.971 20 10 FDCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000883450375 982157570 /nfs/dbraw/zinc/15/75/70/982157570.db2.gz LIQBHYNCQUHJIM-OAHLLOKOSA-N 1 0 356.474 1.732 20 10 FDCDRO CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883524782 982244006 /nfs/dbraw/zinc/24/40/06/982244006.db2.gz IZTAHRMPCVDZCB-KRWDZBQOSA-N 1 0 373.501 1.249 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC=C[C@@H]1CO ZINC000883578548 982279973 /nfs/dbraw/zinc/27/99/73/982279973.db2.gz XXGKSQFLOURHKW-HXUWFJFHSA-N 1 0 370.497 1.661 20 10 FDCDRO C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883609379 982306017 /nfs/dbraw/zinc/30/60/17/982306017.db2.gz UXZBMZLBYDDKQD-JBEBIEQOSA-N 1 0 352.504 1.005 20 10 FDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000861561893 983778940 /nfs/dbraw/zinc/77/89/40/983778940.db2.gz ICIXFYNKIGOKAP-SFHVURJKSA-N 1 0 364.465 1.802 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000861741551 983888244 /nfs/dbraw/zinc/88/82/44/983888244.db2.gz QXDZCQLBSCUHIS-APWZRJJASA-N 1 0 374.529 1.565 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)ccc21 ZINC000861749674 983896496 /nfs/dbraw/zinc/89/64/96/983896496.db2.gz GNJHBPPXCGDZIN-KRWDZBQOSA-N 1 0 356.470 1.086 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000862143834 984154294 /nfs/dbraw/zinc/15/42/94/984154294.db2.gz ONRXWICBZJYPQY-ZWKOTPCHSA-N 1 0 367.449 1.798 20 10 FDCDRO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000862545399 984409399 /nfs/dbraw/zinc/40/93/99/984409399.db2.gz RMIXIVVELZISOL-MFKMUULPSA-N 1 0 350.331 1.620 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000884642040 984648107 /nfs/dbraw/zinc/64/81/07/984648107.db2.gz ZEVBOZXBRIDJDB-OCCSQVGLSA-N 1 0 350.438 1.236 20 10 FDCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749227 986545886 /nfs/dbraw/zinc/54/58/86/986545886.db2.gz MMBPBCBDBHJHFT-HNNXBMFYSA-N 1 0 353.470 1.899 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872152416 987468038 /nfs/dbraw/zinc/46/80/38/987468038.db2.gz QXJUVLZORNRRJN-ZBFHGGJFSA-N 1 0 372.435 1.780 20 10 FDCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296205042 989036863 /nfs/dbraw/zinc/03/68/63/989036863.db2.gz FPPCFVQTUZPGGK-UHFFFAOYSA-N 1 0 362.470 1.802 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCO[C@@H]3CCC[C@@H]31)cc2=O ZINC000369465940 989053624 /nfs/dbraw/zinc/05/36/24/989053624.db2.gz IIGRGESHTLRPDE-LSDHHAIUSA-N 1 0 360.414 1.755 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000297454736 989537834 /nfs/dbraw/zinc/53/78/34/989537834.db2.gz ALZYXJOEMQVLIU-IBGZPJMESA-N 1 0 372.513 1.796 20 10 FDCDRO COc1ccc(N2CCC([N@H+](C)CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000370865313 990058877 /nfs/dbraw/zinc/05/88/77/990058877.db2.gz QKTRZPBLIIVLTC-LJQANCHMSA-N 1 0 361.486 1.891 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)cc1 ZINC000825722028 990062590 /nfs/dbraw/zinc/06/25/90/990062590.db2.gz UYNMXARZMBOKMN-HNNXBMFYSA-N 1 0 370.457 1.001 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCC(=O)N3)cc2F)CC1 ZINC000874439884 990282219 /nfs/dbraw/zinc/28/22/19/990282219.db2.gz QPDHZNUDAPXCLQ-IBGZPJMESA-N 1 0 362.449 1.253 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000875285610 991260857 /nfs/dbraw/zinc/26/08/57/991260857.db2.gz ZAYDFIPFHZIGBV-QILLFSRXSA-N 1 0 358.486 1.482 20 10 FDCDRO COc1ccc(COCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000876506631 992672068 /nfs/dbraw/zinc/67/20/68/992672068.db2.gz MQUSGUPGQOSMBB-QGZVFWFLSA-N 1 0 358.442 1.489 20 10 FDCDRO OC1CCN(c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000876541472 992693428 /nfs/dbraw/zinc/69/34/28/992693428.db2.gz DFNZVMHVUANTAA-NRFANRHFSA-N 1 0 359.514 1.944 20 10 FDCDRO O=C(C[NH2+]Cc1cc2c(cc1O)OCO2)N[C@H]1CCOc2ccccc21 ZINC000374292462 992755296 /nfs/dbraw/zinc/75/52/96/992755296.db2.gz GOFCXVNXKSGNQI-AWEZNQCLSA-N 1 0 356.378 1.851 20 10 FDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000876731947 992846983 /nfs/dbraw/zinc/84/69/83/992846983.db2.gz PJBMWRPVJMEECB-JWTVJPTOSA-N 1 0 370.497 1.416 20 10 FDCDRO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000375522108 993210040 /nfs/dbraw/zinc/21/00/40/993210040.db2.gz GFVCFRATZAJWAZ-FQEVSTJZSA-N 1 0 356.422 1.783 20 10 FDCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877574670 993350166 /nfs/dbraw/zinc/35/01/66/993350166.db2.gz RRYFDAVCZIADBV-KRWDZBQOSA-N 1 0 360.502 1.883 20 10 FDCDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCOC1 ZINC000877698045 993454260 /nfs/dbraw/zinc/45/42/60/993454260.db2.gz GBEWUTOBOFEFIO-HXUWFJFHSA-N 1 0 362.470 1.973 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878745758 994186975 /nfs/dbraw/zinc/18/69/75/994186975.db2.gz HPJCRPMLXNEGHA-UHFFFAOYSA-N 1 0 367.497 1.976 20 10 FDCDRO C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000924005347 994317174 /nfs/dbraw/zinc/31/71/74/994317174.db2.gz DHJPIHVKZCRPSF-JYJNAYRXSA-N 1 0 373.501 1.245 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCCC3)CC2)c(OC)c1 ZINC000879461531 994927800 /nfs/dbraw/zinc/92/78/00/994927800.db2.gz KEPDUADHKDPRBN-INIZCTEOSA-N 1 0 364.486 1.882 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)[C@@H](C(C)C)C1)cc2=O ZINC000879601518 995073017 /nfs/dbraw/zinc/07/30/17/995073017.db2.gz PKWYFESOIUXYIH-OAHLLOKOSA-N 1 0 361.446 1.384 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924995615 995222340 /nfs/dbraw/zinc/22/23/40/995222340.db2.gz ZGMFNFYPEFCWSR-SJORKVTESA-N 1 0 355.438 1.701 20 10 FDCDRO CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CC[NH+](C)CC4)cc3)C(=O)[C@H]2C1 ZINC000925080012 995278856 /nfs/dbraw/zinc/27/88/56/995278856.db2.gz PLAMMQAAJHFWSL-QZTJIDSGSA-N 1 0 372.469 1.380 20 10 FDCDRO NC(=O)c1cn(CCCC[NH2+]Cc2ccc(Br)cc2O)nn1 ZINC000826130036 995356994 /nfs/dbraw/zinc/35/69/94/995356994.db2.gz CYPNJSRBFRBBEB-UHFFFAOYSA-N 1 0 368.235 1.415 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)c(OC)c1 ZINC000925342585 995514242 /nfs/dbraw/zinc/51/42/42/995514242.db2.gz BVPVTUDQJUWKIN-HOCLYGCPSA-N 1 0 362.474 1.628 20 10 FDCDRO O=S1(=O)CCN(c2ccc(CN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2)CC1 ZINC000925487316 995626202 /nfs/dbraw/zinc/62/62/02/995626202.db2.gz MSSUHDCPAIZCLC-WAARBJQMSA-N 1 0 361.511 1.007 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880204290 995720652 /nfs/dbraw/zinc/72/06/52/995720652.db2.gz CZFSAPMMTRLIFN-IBGZPJMESA-N 1 0 374.529 1.602 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926287524 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MLPIWFJWXXPSLV-IBGZPJMESA-N 1 0 365.449 1.125 20 10 FDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1=O ZINC000778917126 1007000478 /nfs/dbraw/zinc/00/04/78/1007000478.db2.gz YEWBINIZFHYHGG-CABCVRRESA-N 1 0 361.442 1.047 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@@H](CO)C1 ZINC000092437043 1007176879 /nfs/dbraw/zinc/17/68/79/1007176879.db2.gz ORRPNAYBOGSGQS-LJQANCHMSA-N 1 0 372.513 1.742 20 10 FDCDRO C[C@H]1CN(c2ccc(CNc3cc[nH+]cc3C(N)=O)cc2F)C[C@H](C)O1 ZINC000779428830 1009182104 /nfs/dbraw/zinc/18/21/04/1009182104.db2.gz OZKZJKLBTXBUSD-STQMWFEESA-N 1 0 358.417 1.967 20 10 FDCDRO C[C@@H](O)c1cn(C2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)nn1 ZINC000779614015 1010391334 /nfs/dbraw/zinc/39/13/34/1010391334.db2.gz NEABBPNRUKZZTC-OAHLLOKOSA-N 1 0 356.474 1.140 20 10 FDCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000271226962 674325055 /nfs/dbraw/zinc/32/50/55/674325055.db2.gz CHSQUKAFIYJVOX-DOMZBBRYSA-N 1 0 367.471 1.320 20 10 FDCDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000271395187 674339889 /nfs/dbraw/zinc/33/98/89/674339889.db2.gz MQASZMLBQNUNON-YPMHNXCESA-N 1 0 355.460 1.318 20 10 FDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271428573 674342854 /nfs/dbraw/zinc/34/28/54/674342854.db2.gz SOFARNBQZKRWLB-SMDDNHRTSA-N 1 0 355.460 1.176 20 10 FDCDRO O=C1NC(=S)NC(=O)C1=CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052536776 523196260 /nfs/dbraw/zinc/19/62/60/523196260.db2.gz HUYQOVNTDQOVCQ-UHFFFAOYSA-N 1 0 358.467 1.177 20 10 FDCDRO C=CC(=O)NCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000156627474 524118013 /nfs/dbraw/zinc/11/80/13/524118013.db2.gz BPLHAVNOZCEBCM-UHFFFAOYSA-N 1 0 374.485 1.016 20 10 FDCDRO CC[N@H+](CCCN1C(=O)CNC1=O)Cc1cc(Br)ccc1O ZINC000174425872 524572808 /nfs/dbraw/zinc/57/28/08/524572808.db2.gz ALOOTOPDGHPULL-UHFFFAOYSA-N 1 0 370.247 1.919 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000178863241 525493472 /nfs/dbraw/zinc/49/34/72/525493472.db2.gz GAWZOJZWYKVOSZ-UHFFFAOYSA-N 1 0 356.430 1.308 20 10 FDCDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180207928 525675016 /nfs/dbraw/zinc/67/50/16/525675016.db2.gz WHESMXAPDTYMEH-ZDUSSCGKSA-N 1 0 361.421 1.466 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)CC)cc2F)CC1 ZINC000106584876 525766756 /nfs/dbraw/zinc/76/67/56/525766756.db2.gz GUFMSUGVSSUSNF-IBGZPJMESA-N 1 0 366.481 1.928 20 10 FDCDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000131349557 525850004 /nfs/dbraw/zinc/85/00/04/525850004.db2.gz AKYQFKAYUNMKQK-MEQKGCOVSA-N 1 0 373.497 1.452 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCCOC3)CC2)cc1 ZINC000107692580 525910409 /nfs/dbraw/zinc/91/04/09/525910409.db2.gz GEJDSASSALCECH-KRWDZBQOSA-N 1 0 361.486 1.702 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCn3ccnn3)cc2F)CC1 ZINC000171520232 526021760 /nfs/dbraw/zinc/02/17/60/526021760.db2.gz CRNAVUBRHFRGRA-UHFFFAOYSA-N 1 0 360.437 1.266 20 10 FDCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000186101892 536225540 /nfs/dbraw/zinc/22/55/40/536225540.db2.gz ZTVPBYFCWXNQBM-HNNXBMFYSA-N 1 0 365.497 1.717 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C1CCCCC1)cc2=O ZINC000264588473 537146122 /nfs/dbraw/zinc/14/61/22/537146122.db2.gz ACUIOTPETCMQTD-UHFFFAOYSA-N 1 0 362.430 1.739 20 10 FDCDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000285794160 537288887 /nfs/dbraw/zinc/28/88/87/537288887.db2.gz UXQICMCOLOMGIG-ZFWWWQNUSA-N 1 0 364.465 1.449 20 10 FDCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283670134 537384861 /nfs/dbraw/zinc/38/48/61/537384861.db2.gz YSSHCNVPIMTJOP-QGZVFWFLSA-N 1 0 360.502 1.463 20 10 FDCDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000276299705 537404391 /nfs/dbraw/zinc/40/43/91/537404391.db2.gz ADNMZIUASNHVAT-UHFFFAOYSA-N 1 0 371.503 1.958 20 10 FDCDRO CN(C)c1ccc(C[NH2+]CCN2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000280810005 537466506 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1.933 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000368038798 537973122 /nfs/dbraw/zinc/97/31/22/537973122.db2.gz DENKCMLRWACJBB-AWEZNQCLSA-N 1 0 368.499 1.657 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000564002693 546769782 /nfs/dbraw/zinc/76/97/82/546769782.db2.gz JEGLISNGALEDSJ-KXBFYZLASA-N 1 0 368.481 1.656 20 10 FDCDRO NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592527371 552005025 /nfs/dbraw/zinc/00/50/25/552005025.db2.gz WXHSHCZDDTZLPH-KGLIPLIRSA-N 1 0 353.426 1.024 20 10 FDCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000827226894 605848299 /nfs/dbraw/zinc/84/82/99/605848299.db2.gz AVLIONRDCYFWST-OAHLLOKOSA-N 1 0 350.438 1.810 20 10 FDCDRO C[NH+](C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCC1 ZINC000274244106 674588486 /nfs/dbraw/zinc/58/84/86/674588486.db2.gz RWBNDHOZGFIIQZ-UHFFFAOYSA-N 1 0 369.487 1.616 20 10 FDCDRO COCCNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042843196 670929080 /nfs/dbraw/zinc/92/90/80/670929080.db2.gz BVFIKRGTWYIXKJ-UHFFFAOYSA-N 1 0 350.463 1.153 20 10 FDCDRO CC(C)CN1C(=O)C(=CNCCC[N@@H+]2CCCC[C@H]2C)C(=O)NC1=S ZINC000052529099 671173117 /nfs/dbraw/zinc/17/31/17/671173117.db2.gz JOCAWCJQEJJVFI-ADVGAGMGSA-N 1 0 366.531 1.624 20 10 FDCDRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+]1CCC[C@H](C)C1 ZINC000115899888 671654582 /nfs/dbraw/zinc/65/45/82/671654582.db2.gz PTKSUWAIRBRNJK-STQMWFEESA-N 1 0 369.487 1.614 20 10 FDCDRO COc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1O ZINC000158357502 671978838 /nfs/dbraw/zinc/97/88/38/671978838.db2.gz WJMXXNLQDGJSRH-UHFFFAOYSA-N 1 0 356.469 1.873 20 10 FDCDRO COc1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164340945 672028426 /nfs/dbraw/zinc/02/84/26/672028426.db2.gz VDPDYKFGHNZJSN-ZDUSSCGKSA-N 1 0 356.488 1.822 20 10 FDCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000181152852 672189586 /nfs/dbraw/zinc/18/95/86/672189586.db2.gz DJBVNSQHSOATCP-UHFFFAOYSA-N 1 0 350.440 1.610 20 10 FDCDRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278821352 675202652 /nfs/dbraw/zinc/20/26/52/675202652.db2.gz RDBHPUWFRBTBDF-CYBMUJFWSA-N 1 0 354.428 1.121 20 10 FDCDRO COc1c([O-])c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282378151 675628114 /nfs/dbraw/zinc/62/81/14/675628114.db2.gz QOJJOVRFISOIRS-UHFFFAOYSA-N 1 0 352.435 1.425 20 10 FDCDRO COc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1O ZINC000293846198 676367680 /nfs/dbraw/zinc/36/76/80/676367680.db2.gz HKXFSAAYEBPQNV-UHFFFAOYSA-N 1 0 366.439 1.559 20 10 FDCDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294781364 676397202 /nfs/dbraw/zinc/39/72/02/676397202.db2.gz BSLDZULRBVDKRC-JTQLQIEISA-N 1 0 350.843 1.946 20 10 FDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295197796 676402269 /nfs/dbraw/zinc/40/22/69/676402269.db2.gz YFXCAYKLUOWJQS-LBPRGKRZSA-N 1 0 354.403 1.438 20 10 FDCDRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21)c1cccs1 ZINC000297150360 676424442 /nfs/dbraw/zinc/42/44/42/676424442.db2.gz ZYLZMYGLIKFBKQ-OLZOCXBDSA-N 1 0 353.465 1.865 20 10 FDCDRO COc1cc(O)c(C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1OC ZINC000363873461 676976687 /nfs/dbraw/zinc/97/66/87/676976687.db2.gz CVUOIURQBKDGGL-UHFFFAOYSA-N 1 0 352.456 1.907 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCOC13CCCC3)cc2=O ZINC000934389683 782573073 /nfs/dbraw/zinc/57/30/73/782573073.db2.gz SZHCNOYOPCAJML-CQSZACIVSA-N 1 0 360.414 1.803 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(C(N)=O)o2)[NH+](C)C)cc1 ZINC000891246191 774084503 /nfs/dbraw/zinc/08/45/03/774084503.db2.gz NEWARAZIYVISHX-LUJNMSEFSA-N 1 0 370.453 1.877 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3n(n2)CCCO3)[NH+](C)C)cc1 ZINC000891246721 774086514 /nfs/dbraw/zinc/08/65/14/774086514.db2.gz CJWMXFNQIRGFSR-QGZVFWFLSA-N 1 0 357.458 1.764 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3n2)[NH+](C)C)cc1 ZINC000891247946 774099654 /nfs/dbraw/zinc/09/96/54/774099654.db2.gz IXBXXJFPVAHKJH-INIZCTEOSA-N 1 0 353.430 1.452 20 10 FDCDRO CN(C)c1noc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249385 774106550 /nfs/dbraw/zinc/10/65/50/774106550.db2.gz SCXCIBATOJMVOW-MRXNPFEDSA-N 1 0 374.489 1.553 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C2(O)CCSCC2)[NH+](C)C)cc1 ZINC000891249493 774108192 /nfs/dbraw/zinc/10/81/92/774108192.db2.gz SZKPIQCPEOKRRI-INIZCTEOSA-N 1 0 351.516 1.730 20 10 FDCDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248716 774111124 /nfs/dbraw/zinc/11/11/24/774111124.db2.gz NHLACZDIUQOKTC-HNNXBMFYSA-N 1 0 374.445 1.910 20 10 FDCDRO CCCC[C@H](NC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251183 774128800 /nfs/dbraw/zinc/12/88/00/774128800.db2.gz ARENKZGIHQMSDL-DLBZAZTESA-N 1 0 363.506 1.699 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nncn3c2)[NH+](C)C)cc1 ZINC000891255939 774160494 /nfs/dbraw/zinc/16/04/94/774160494.db2.gz SVOHMGVXVGJTJG-QGZVFWFLSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)cn2)[NH+](C)C)cc1 ZINC000891255943 774160596 /nfs/dbraw/zinc/16/05/96/774160596.db2.gz SYWQQSJVMSASQP-QGZVFWFLSA-N 1 0 355.442 1.279 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000891256539 774164558 /nfs/dbraw/zinc/16/45/58/774164558.db2.gz ZJEDMUMJWNFJIO-INIZCTEOSA-N 1 0 360.418 1.276 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CC2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255266 774167731 /nfs/dbraw/zinc/16/77/31/774167731.db2.gz OBHHLQYUEASZTM-ZIAGYGMSSA-N 1 0 363.487 1.028 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cc2)CC1 ZINC001167423139 774568600 /nfs/dbraw/zinc/56/86/00/774568600.db2.gz OMLLLYYUKUWFPF-UHFFFAOYSA-N 1 0 370.413 1.453 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCNC(=O)C2CC2)[NH+](C)C)cc1 ZINC000891552352 778286648 /nfs/dbraw/zinc/28/66/48/778286648.db2.gz DXSSBZFNYLDNFL-QGZVFWFLSA-N 1 0 361.490 1.181 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3OC)CC2)cc1 ZINC000277023951 780668988 /nfs/dbraw/zinc/66/89/88/780668988.db2.gz RHNHJIMOVXXAEF-OALUTQOASA-N 1 0 361.486 1.891 20 10 FDCDRO NC(=O)C1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000891979012 781005871 /nfs/dbraw/zinc/00/58/71/781005871.db2.gz JNMROYSIFUWZKL-INIZCTEOSA-N 1 0 373.501 1.187 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000891979023 781006031 /nfs/dbraw/zinc/00/60/31/781006031.db2.gz JTRPTPMNGNDZQK-OAHLLOKOSA-N 1 0 362.474 1.535 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)c(OC)c1 ZINC000892017709 781236069 /nfs/dbraw/zinc/23/60/69/781236069.db2.gz FOBDBYWULQCFQF-OAHLLOKOSA-N 1 0 350.463 1.519 20 10 FDCDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000892107462 781552280 /nfs/dbraw/zinc/55/22/80/781552280.db2.gz KFKOAUISRQMQNT-CQSZACIVSA-N 1 0 358.364 1.254 20 10 FDCDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892633415 787871366 /nfs/dbraw/zinc/87/13/66/787871366.db2.gz VHIZEHNVDCJLON-UHFFFAOYSA-N 1 0 360.410 1.824 20 10 FDCDRO COC[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893121202 793086408 /nfs/dbraw/zinc/08/64/08/793086408.db2.gz PKYOUQXVERCOGS-RDJZCZTQSA-N 1 0 352.479 1.052 20 10 FDCDRO CN(C)c1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1F ZINC000893550731 806216817 /nfs/dbraw/zinc/21/68/17/806216817.db2.gz NYVJUDCSNIQVDX-UHFFFAOYSA-N 1 0 362.453 1.378 20 10 FDCDRO CC[S@](=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893156297 793415724 /nfs/dbraw/zinc/41/57/24/793415724.db2.gz QJNXVDFMXCQAOM-GYCJOSAFSA-N 1 0 354.520 1.423 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2=O)[NH+](C)C)cc1 ZINC000893417999 802603691 /nfs/dbraw/zinc/60/36/91/802603691.db2.gz FVZAYANVSYPKMG-IRXDYDNUSA-N 1 0 361.490 1.275 20 10 FDCDRO CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607697 807041218 /nfs/dbraw/zinc/04/12/18/807041218.db2.gz JLSSULRMYGTMTE-IBGZPJMESA-N 1 0 372.513 1.846 20 10 FDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419706740 812097862 /nfs/dbraw/zinc/09/78/62/812097862.db2.gz KUMVPGNRORWLOY-OAHLLOKOSA-N 1 0 356.470 1.703 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419707978 812098618 /nfs/dbraw/zinc/09/86/18/812098618.db2.gz MWODUCNKBIQDKV-BZUAXINKSA-N 1 0 368.481 1.607 20 10 FDCDRO CCN(CCO)CC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894477671 818108539 /nfs/dbraw/zinc/10/85/39/818108539.db2.gz MIWKYPPMFLQGRI-UHFFFAOYSA-N 1 0 351.422 1.508 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCCc2ncn(C)n2)c2cc(F)ccc2n1C ZINC000895076654 819985743 /nfs/dbraw/zinc/98/57/43/819985743.db2.gz YLBGYOOYLKQQKB-UHFFFAOYSA-N 1 0 359.405 1.955 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCc2ncn(C)n2)[NH+](C)C)cc1 ZINC000895498102 822629291 /nfs/dbraw/zinc/62/92/91/822629291.db2.gz JOIHWWYOAZGTHP-QGZVFWFLSA-N 1 0 373.505 1.416 20 10 FDCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1Cl ZINC000896314626 824309010 /nfs/dbraw/zinc/30/90/10/824309010.db2.gz LFUWNTZZQSOVHD-UHFFFAOYSA-N 1 0 354.881 1.501 20 10 FDCDRO CCC[N@H+](C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000760087406 825023128 /nfs/dbraw/zinc/02/31/28/825023128.db2.gz ZAVDZXIESFXVGY-UHFFFAOYSA-N 1 0 365.474 1.703 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897061690 826847963 /nfs/dbraw/zinc/84/79/63/826847963.db2.gz NFAZAGRIUYDQFJ-SNVBAGLBSA-N 1 0 363.277 1.574 20 10 FDCDRO COc1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1F ZINC000302916261 827758447 /nfs/dbraw/zinc/75/84/47/827758447.db2.gz WCNATPALKBGBJV-UHFFFAOYSA-N 1 0 373.432 1.788 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H](O)c2ccnn2C)c2cc(F)ccc2n1C ZINC000897301848 827778879 /nfs/dbraw/zinc/77/88/79/827778879.db2.gz VZAPZQWVEASUFK-INIZCTEOSA-N 1 0 360.389 1.661 20 10 FDCDRO CN1C(=O)C(=CNCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)N(C)C1=O ZINC000052536779 834050619 /nfs/dbraw/zinc/05/06/19/834050619.db2.gz NRSJYJUEOIUQLR-UHFFFAOYSA-N 1 0 370.453 1.696 20 10 FDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841712357 835069277 /nfs/dbraw/zinc/06/92/77/835069277.db2.gz OBPIGLZEKOQHJR-DZGCQCFKSA-N 1 0 350.438 1.541 20 10 FDCDRO Nc1ccc(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000841956173 840201231 /nfs/dbraw/zinc/20/12/31/840201231.db2.gz XJZBFTIVFRJSAE-UHFFFAOYSA-N 1 0 361.490 1.103 20 10 FDCDRO COc1ccc(CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(O)c1 ZINC000841995818 840550983 /nfs/dbraw/zinc/55/09/83/840550983.db2.gz QBWHAOJSEFJWJL-UHFFFAOYSA-N 1 0 362.474 1.416 20 10 FDCDRO CN(c1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1)S(C)(=O)=O ZINC000898286310 840936135 /nfs/dbraw/zinc/93/61/35/840936135.db2.gz FKTXSBYYVOVOGS-UHFFFAOYSA-N 1 0 364.423 1.807 20 10 FDCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1O ZINC000927025873 843328153 /nfs/dbraw/zinc/32/81/53/843328153.db2.gz OWJHKEVZNRYNFT-MWLCHTKSSA-N 1 0 366.277 1.519 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000842123043 844743504 /nfs/dbraw/zinc/74/35/04/844743504.db2.gz AJTVUSIHMLLTIU-YJBOKZPZSA-N 1 0 374.485 1.040 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000842147927 844938107 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360.502 1.605 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(C2)OCCO3)[NH+](C)C)cc1 ZINC000899101839 845774459 /nfs/dbraw/zinc/77/44/59/845774459.db2.gz MSBINKGLXYZTHJ-QGZVFWFLSA-N 1 0 362.474 1.514 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000899104166 845777488 /nfs/dbraw/zinc/77/74/88/845777488.db2.gz QFYHEGSVULWSDA-GOSISDBHSA-N 1 0 356.474 1.846 20 10 FDCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235091 845791760 /nfs/dbraw/zinc/79/17/60/845791760.db2.gz CLZSEZQTCTXPBY-UHFFFAOYSA-N 1 0 374.510 1.579 20 10 FDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000905483466 851955700 /nfs/dbraw/zinc/95/57/00/851955700.db2.gz YVWMNQLPNGELAX-INIZCTEOSA-N 1 0 359.392 1.791 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000905667506 852134007 /nfs/dbraw/zinc/13/40/07/852134007.db2.gz QBAUIEUARNSDKL-KRZXBLKESA-N 1 0 359.514 1.956 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]3C(F)F)CC2)cc1 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FDCDRO COC(=O)/C=C/c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000852792262 967610985 /nfs/dbraw/zinc/61/09/85/967610985.db2.gz UGVNXDOBOBEULC-SOGBHIHOSA-N 1 0 357.410 1.962 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)cc1 ZINC000852819804 967631504 /nfs/dbraw/zinc/63/15/04/967631504.db2.gz HJUNVCAFUWMITJ-CABCVRRESA-N 1 0 369.469 1.752 20 10 FDCDRO CN(C)c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1F ZINC000852863858 967669575 /nfs/dbraw/zinc/66/95/75/967669575.db2.gz SMFWNFCWSBNNJV-AWEZNQCLSA-N 1 0 360.437 1.728 20 10 FDCDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000852915535 967704182 /nfs/dbraw/zinc/70/41/82/967704182.db2.gz HTQOMCIUDDZXOE-UHFFFAOYSA-N 1 0 369.421 1.464 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000775374773 967748963 /nfs/dbraw/zinc/74/89/63/967748963.db2.gz FJMJAZVNFGXBOU-ZDUSSCGKSA-N 1 0 364.442 1.853 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)c3ccccn3)CC2)cc1 ZINC000853097082 967829238 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FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cn[nH]n3)CC2)cc1 ZINC000864616254 973687453 /nfs/dbraw/zinc/68/74/53/973687453.db2.gz IVBTZQXZMODJMP-UHFFFAOYSA-N 1 0 372.473 1.074 20 10 FDCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C)cc1O ZINC000794804973 973966387 /nfs/dbraw/zinc/96/63/87/973966387.db2.gz WMYSUQCDUKPNOV-OAHLLOKOSA-N 1 0 353.444 1.849 20 10 FDCDRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000847298105 975432432 /nfs/dbraw/zinc/43/24/32/975432432.db2.gz JRRDRABAAIXRNO-ZYSHUDEJSA-N 1 0 374.485 1.045 20 10 FDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000847366663 975537845 /nfs/dbraw/zinc/53/78/45/975537845.db2.gz LBJWZLLEFWVEOA-WBVHZDCISA-N 1 0 358.486 1.346 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)CC2)cc1 ZINC000866715561 975952021 /nfs/dbraw/zinc/95/20/21/975952021.db2.gz CUIIAXBBYIQXLT-XLIONFOSSA-N 1 0 372.513 1.418 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848410347 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/nfs/dbraw/zinc/85/21/60/981852160.db2.gz TYUHZAZSYMHUEC-UHFFFAOYSA-N 1 0 354.445 1.673 20 10 FDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1F ZINC000858244349 981938918 /nfs/dbraw/zinc/93/89/18/981938918.db2.gz VOXJDDHLWYKABD-CYBMUJFWSA-N 1 0 373.411 1.837 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCNc3cnccn3)cc2)CC1 ZINC000883194897 982007679 /nfs/dbraw/zinc/00/76/79/982007679.db2.gz GADGWYJBVKWGHB-UHFFFAOYSA-N 1 0 369.473 1.140 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3nccs3)cc2)CC1 ZINC000883248435 982031298 /nfs/dbraw/zinc/03/12/98/982031298.db2.gz SOIUMGZSBILZID-UHFFFAOYSA-N 1 0 359.499 1.937 20 10 FDCDRO Cc1noc([C@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883282489 982043054 /nfs/dbraw/zinc/04/30/54/982043054.db2.gz VDARGIVNUQUDDQ-ZDUSSCGKSA-N 1 0 358.446 1.690 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000883439966 982146114 /nfs/dbraw/zinc/14/61/14/982146114.db2.gz GCJPEOAOJQFACV-SJORKVTESA-N 1 0 373.501 1.282 20 10 FDCDRO Cc1nnc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883701252 982394929 /nfs/dbraw/zinc/39/49/29/982394929.db2.gz IUFXNZGUVUHIOV-UHFFFAOYSA-N 1 0 374.514 1.640 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000884334701 983093303 /nfs/dbraw/zinc/09/33/03/983093303.db2.gz YXKJJVGSMPOYCA-IBGZPJMESA-N 1 0 374.529 1.981 20 10 FDCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000884638354 983304853 /nfs/dbraw/zinc/30/48/53/983304853.db2.gz VMYXFFXKIDQUKV-KRWDZBQOSA-N 1 0 372.513 1.797 20 10 FDCDRO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861647370 983800480 /nfs/dbraw/zinc/80/04/80/983800480.db2.gz IMAKNQIVIOEBFV-INIZCTEOSA-N 1 0 364.490 1.399 20 10 FDCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000861750852 983897810 /nfs/dbraw/zinc/89/78/10/983897810.db2.gz VWTJJPJRJBMULH-OAHLLOKOSA-N 1 0 360.502 1.877 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861791313 983922948 /nfs/dbraw/zinc/92/29/48/983922948.db2.gz HDYNLFDJAIHQDN-KRWDZBQOSA-N 1 0 358.486 1.502 20 10 FDCDRO CN(C)c1cc(F)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F ZINC000862239232 984275533 /nfs/dbraw/zinc/27/55/33/984275533.db2.gz ZTIHEGJJOXNBBA-UHFFFAOYSA-N 1 0 366.456 1.771 20 10 FDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000862482809 984399065 /nfs/dbraw/zinc/39/90/65/984399065.db2.gz YAMVKNDGULLSME-CYBMUJFWSA-N 1 0 374.832 1.860 20 10 FDCDRO C[N@H+](CCO)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888582221 987136928 /nfs/dbraw/zinc/13/69/28/987136928.db2.gz ZVYKWIUKSIULIO-UHFFFAOYSA-N 1 0 354.414 1.442 20 10 FDCDRO NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000872660616 987923440 /nfs/dbraw/zinc/92/34/40/987923440.db2.gz SBPRMYBWGUYKLW-SFHVURJKSA-N 1 0 354.406 1.404 20 10 FDCDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000366172119 988504992 /nfs/dbraw/zinc/50/49/92/988504992.db2.gz POWLTCWUTHDRQW-FQEVSTJZSA-N 1 0 356.422 1.807 20 10 FDCDRO COc1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc1Cn1cccn1 ZINC000873078007 988514484 /nfs/dbraw/zinc/51/44/84/988514484.db2.gz HVSAUXSFCHLFPE-CQSZACIVSA-N 1 0 351.472 1.853 20 10 FDCDRO COc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1Cn1cccn1 ZINC000873097786 988538543 /nfs/dbraw/zinc/53/85/43/988538543.db2.gz WNNIAQYUPLAYHQ-SFHVURJKSA-N 1 0 372.469 1.700 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C1(C)C)cc2=O ZINC000296105733 988966628 /nfs/dbraw/zinc/96/66/28/988966628.db2.gz ICHNHLJRAXNGMR-DFBGVHRSSA-N 1 0 360.414 1.515 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+]([C@H](C)CC)CC1)cc2=O ZINC000296183771 989020714 /nfs/dbraw/zinc/02/07/14/989020714.db2.gz UNZUOXRNBSFMRX-CYBMUJFWSA-N 1 0 361.446 1.528 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NOCC3CC3)CC2)cc1 ZINC000297188318 989490441 /nfs/dbraw/zinc/49/04/41/989490441.db2.gz CGUFDNSOGUNWEM-UHFFFAOYSA-N 1 0 362.474 1.848 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000297719969 989657394 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1.870 20 10 FDCDRO COc1cccc(O)c1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826217390 608510769 /nfs/dbraw/zinc/51/07/69/608510769.db2.gz KMGFKMAGHOCRIK-UHFFFAOYSA-N 1 0 367.413 1.298 20 10 FDCDRO COc1cccc(O)c1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826217284 608517091 /nfs/dbraw/zinc/51/70/91/608517091.db2.gz GLAUYIRNWNXTSN-UHFFFAOYSA-N 1 0 367.413 1.298 20 10 FDCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000277491973 674954212 /nfs/dbraw/zinc/95/42/12/674954212.db2.gz QMYQBTQDDWFKSI-GFCCVEGCSA-N 1 0 371.279 1.200 20 10 FDCDRO CCN(C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092558797 671517550 /nfs/dbraw/zinc/51/75/50/671517550.db2.gz GDLJBEMMDLZVHI-UHFFFAOYSA-N 1 0 366.531 1.505 20 10 FDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000128972049 671782433 /nfs/dbraw/zinc/78/24/33/671782433.db2.gz MWLBXRMHJIRWJK-UHFFFAOYSA-N 1 0 361.467 1.670 20 10 FDCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(N(C)C)cc1 ZINC000162379180 672018013 /nfs/dbraw/zinc/01/80/13/672018013.db2.gz XNGWQRBJXSWFPZ-QGZVFWFLSA-N 1 0 366.487 1.901 20 10 FDCDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000180527576 672179964 /nfs/dbraw/zinc/17/99/64/672179964.db2.gz GLRYKBWZFKVCHK-UHFFFAOYSA-N 1 0 369.374 1.508 20 10 FDCDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187143867 672279965 /nfs/dbraw/zinc/27/99/65/672279965.db2.gz DITKHGJWHARGNK-UHFFFAOYSA-N 1 0 366.531 1.353 20 10 FDCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267371072 673296866 /nfs/dbraw/zinc/29/68/66/673296866.db2.gz STOBJOMRLSYTSG-DGCLKSJQSA-N 1 0 355.460 1.366 20 10 FDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000289614962 676158736 /nfs/dbraw/zinc/15/87/36/676158736.db2.gz LJYQGPPFCPMHLV-GXTWGEPZSA-N 1 0 372.487 1.607 20 10 FDCDRO CCOCc1cc(C[NH2+]CC2(OCCO)CCOCC2)ccc1OC ZINC000282829529 675643337 /nfs/dbraw/zinc/64/33/37/675643337.db2.gz ZFRSYYZHQXWMDK-UHFFFAOYSA-N 1 0 353.459 1.879 20 10 FDCDRO O=S(=O)([C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCCC1 ZINC000362748121 676923496 /nfs/dbraw/zinc/92/34/96/676923496.db2.gz ODDFGDXYRWGMKS-CYBMUJFWSA-N 1 0 354.428 1.121 20 10 FDCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)N1 ZINC000370694328 677606140 /nfs/dbraw/zinc/60/61/40/677606140.db2.gz LRGAPUWZVKPHTH-ZIAGYGMSSA-N 1 0 351.834 1.405 20 10 FDCDRO COCC[NH2+]CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370781634 677613958 /nfs/dbraw/zinc/61/39/58/677613958.db2.gz PTUWHJBGQXZZMR-UHFFFAOYSA-N 1 0 357.401 1.609 20 10 FDCDRO CCS(=O)(=O)NCCC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000372819684 677979495 /nfs/dbraw/zinc/97/94/95/677979495.db2.gz JCPHTZUSCJFVJD-UHFFFAOYSA-N 1 0 369.531 1.925 20 10 FDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000375384875 678100881 /nfs/dbraw/zinc/10/08/81/678100881.db2.gz SITKKPSXWPUCHS-RKDXNWHRSA-N 1 0 363.292 1.405 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000376805173 678384191 /nfs/dbraw/zinc/38/41/91/678384191.db2.gz TVLXKYDTSLWFFQ-HNNXBMFYSA-N 1 0 367.515 1.535 20 10 FDCDRO COc1ccc(O)c(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000377201755 678481627 /nfs/dbraw/zinc/48/16/27/678481627.db2.gz OPSMWRSSHICKBF-OAHLLOKOSA-N 1 0 354.472 1.142 20 10 FDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527751412 694688434 /nfs/dbraw/zinc/68/84/34/694688434.db2.gz BPBQIUSOMLLSIV-IBGZPJMESA-N 1 0 350.459 1.496 20 10 FDCDRO CCCNC(=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892224461 782350319 /nfs/dbraw/zinc/35/03/19/782350319.db2.gz DTYNGNVAOZCWBT-KRWDZBQOSA-N 1 0 363.506 1.571 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2COCCO2)C1 ZINC000683472943 772011750 /nfs/dbraw/zinc/01/17/50/772011750.db2.gz WOKCBWPLVPGPAW-MRXNPFEDSA-N 1 0 371.481 1.939 20 10 FDCDRO COCCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891245244 774078566 /nfs/dbraw/zinc/07/85/66/774078566.db2.gz BBYUVGZZJASFNH-LJQANCHMSA-N 1 0 373.501 1.937 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn3c2OCCC3)[NH+](C)C)cc1 ZINC000891246260 774082273 /nfs/dbraw/zinc/08/22/73/774082273.db2.gz BNUZWTSICOBSKZ-QGZVFWFLSA-N 1 0 357.458 1.764 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(N)=O)cc2)[NH+](C)C)cc1 ZINC000891247169 774091925 /nfs/dbraw/zinc/09/19/25/774091925.db2.gz GHQQKAAMRHIOLD-LJQANCHMSA-N 1 0 368.481 1.813 20 10 FDCDRO Cc1nc(N)nc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249557 774109232 /nfs/dbraw/zinc/10/92/32/774109232.db2.gz UORFLAJDWYOYPD-INIZCTEOSA-N 1 0 356.474 1.774 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(N)=O)c2)[NH+](C)C)cc1 ZINC000891252162 774125915 /nfs/dbraw/zinc/12/59/15/774125915.db2.gz HNVXAGGZJZWFMX-GOSISDBHSA-N 1 0 354.454 1.884 20 10 FDCDRO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251186 774128482 /nfs/dbraw/zinc/12/84/82/774128482.db2.gz ARENKZGIHQMSDL-SJORKVTESA-N 1 0 363.506 1.699 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn3cccnc23)[NH+](C)C)cc1 ZINC000891255130 774157920 /nfs/dbraw/zinc/15/79/20/774157920.db2.gz NADPAVXIUFAHSA-QGZVFWFLSA-N 1 0 352.442 1.828 20 10 FDCDRO COc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc2nc[nH]c21 ZINC001167426231 774584770 /nfs/dbraw/zinc/58/47/70/774584770.db2.gz CNXJTCMXINYLCK-UHFFFAOYSA-N 1 0 353.430 1.725 20 10 FDCDRO Cn1cc([C@@H]2C[C@@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)cn1 ZINC000376696318 790336932 /nfs/dbraw/zinc/33/69/32/790336932.db2.gz XVKHXBHNEZMARC-HOTGVXAUSA-N 1 0 357.433 1.389 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891384419 776456820 /nfs/dbraw/zinc/45/68/20/776456820.db2.gz HLAUUXIQKBBIDO-AEFFLSMTSA-N 1 0 362.449 1.698 20 10 FDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1F ZINC000891456881 778059279 /nfs/dbraw/zinc/05/92/79/778059279.db2.gz UIUYPEWQVGPTRG-OAHLLOKOSA-N 1 0 364.465 1.850 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000162963641 787963207 /nfs/dbraw/zinc/96/32/07/787963207.db2.gz WFBCHHLIPCIKEM-ZBFHGGJFSA-N 1 0 365.449 1.293 20 10 FDCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377877597 792974089 /nfs/dbraw/zinc/97/40/89/792974089.db2.gz BZLXOGUIDXIVIE-HZPDHXFCSA-N 1 0 359.470 1.933 20 10 FDCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C)cc1C ZINC001104985234 794736024 /nfs/dbraw/zinc/73/60/24/794736024.db2.gz SBSSBCDNMLEFLV-SJLPKXTDSA-N 1 0 371.485 1.870 20 10 FDCDRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1O ZINC000397694137 795484024 /nfs/dbraw/zinc/48/40/24/795484024.db2.gz QZHCHVUWTPWRBX-UHFFFAOYSA-N 1 0 356.422 1.855 20 10 FDCDRO COc1cc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000662628628 806901653 /nfs/dbraw/zinc/90/16/53/806901653.db2.gz RUEDSRZJKYCTLN-NSHDSACASA-N 1 0 360.414 1.789 20 10 FDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3O)C2)nn1 ZINC000893595302 806921073 /nfs/dbraw/zinc/92/10/73/806921073.db2.gz VOMVACNWRPXCGM-GFCCVEGCSA-N 1 0 362.386 1.235 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(N)=O)cc3)cc2)CC1 ZINC000893607618 807040887 /nfs/dbraw/zinc/04/08/87/807040887.db2.gz IFYLWHPXLBXWMA-UHFFFAOYSA-N 1 0 352.438 1.467 20 10 FDCDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(O)c1OC ZINC000893712364 809298242 /nfs/dbraw/zinc/29/82/42/809298242.db2.gz VZAUMTDTPOVYBI-NSHDSACASA-N 1 0 362.348 1.910 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC(=O)NCC2CC2)[NH+](C)C)cc1 ZINC000894057941 809886178 /nfs/dbraw/zinc/88/61/78/809886178.db2.gz LBORFNUKJARSAE-QGZVFWFLSA-N 1 0 361.490 1.181 20 10 FDCDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000729049275 810939862 /nfs/dbraw/zinc/93/98/62/810939862.db2.gz PHBMTQIQLWXFBV-CYBMUJFWSA-N 1 0 351.447 1.872 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(O)c1OC ZINC000894263292 814299930 /nfs/dbraw/zinc/29/99/30/814299930.db2.gz QBRVAZRIOHEEFA-DGCLKSJQSA-N 1 0 358.460 1.217 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)CC2)cc1 ZINC000273079515 814787204 /nfs/dbraw/zinc/78/72/04/814787204.db2.gz QHZQJNZQWYPTHH-RTWAWAEBSA-N 1 0 373.497 1.891 20 10 FDCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925056308 818018954 /nfs/dbraw/zinc/01/89/54/818018954.db2.gz SXMJGNVKEVOTKG-INIZCTEOSA-N 1 0 354.472 1.163 20 10 FDCDRO CC[N@H+](CCOCCO)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894667899 818291462 /nfs/dbraw/zinc/29/14/62/818291462.db2.gz OQGAMORTXGTJDW-UHFFFAOYSA-N 1 0 352.406 1.935 20 10 FDCDRO O=C1CCC(=O)N1N=c1cccc([NH2+]CCc2cc(O)c(O)cc2O)[nH]1 ZINC001168008464 820585899 /nfs/dbraw/zinc/58/58/99/820585899.db2.gz ALHIPXPMTLAVDN-UHFFFAOYSA-N 1 0 358.354 1.329 20 10 FDCDRO CO[C@@H]1COC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895505302 822627124 /nfs/dbraw/zinc/62/71/24/822627124.db2.gz JKXZBOGVOCCCKS-BRWVUGGUSA-N 1 0 350.463 1.068 20 10 FDCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)C[C@@H]1S(C)(=O)=O ZINC000895509843 822632345 /nfs/dbraw/zinc/63/23/45/822632345.db2.gz BMHYRFRBWJSEOD-MAUKXSAKSA-N 1 0 363.435 1.611 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1OC ZINC000895656695 822687348 /nfs/dbraw/zinc/68/73/48/822687348.db2.gz NOEHEHOWQWQOSB-QGZVFWFLSA-N 1 0 373.453 1.795 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCO[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000896734328 824840906 /nfs/dbraw/zinc/84/09/06/824840906.db2.gz XXWGAJOQQKVMPV-ZWKOTPCHSA-N 1 0 364.490 1.460 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCO[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000896734326 824841012 /nfs/dbraw/zinc/84/10/12/824841012.db2.gz XXWGAJOQQKVMPV-QZTJIDSGSA-N 1 0 364.490 1.460 20 10 FDCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1O ZINC000897042766 826827286 /nfs/dbraw/zinc/82/72/86/826827286.db2.gz QFKYXABTNFRYLR-ZDUSSCGKSA-N 1 0 354.834 1.517 20 10 FDCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000897691980 840254139 /nfs/dbraw/zinc/25/41/39/840254139.db2.gz LGGVSPOAHWEENP-SFHVURJKSA-N 1 0 352.431 1.862 20 10 FDCDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897881398 840536337 /nfs/dbraw/zinc/53/63/37/840536337.db2.gz TWRBNUDPJPRIMO-GFCCVEGCSA-N 1 0 350.440 1.889 20 10 FDCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000842029311 840803765 /nfs/dbraw/zinc/80/37/65/840803765.db2.gz BBNXHJZDXFCJSP-STQMWFEESA-N 1 0 366.893 1.656 20 10 FDCDRO CC(C)[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898326389 840947318 /nfs/dbraw/zinc/94/73/18/840947318.db2.gz NUKWWJOEUUFMHF-IBGZPJMESA-N 1 0 372.513 1.702 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000842228318 845766422 /nfs/dbraw/zinc/76/64/22/845766422.db2.gz GONHEXSCJPPPGK-JKSUJKDBSA-N 1 0 358.486 1.630 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nncn2C)[NH+](C)C)cc1 ZINC000899101498 845773479 /nfs/dbraw/zinc/77/34/79/845773479.db2.gz IMNBMCULYKBMCP-MRXNPFEDSA-N 1 0 359.478 1.325 20 10 FDCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(=O)NCCF ZINC000899103559 845776364 /nfs/dbraw/zinc/77/63/64/845776364.db2.gz MUUBHCDOKQSYAA-XJKSGUPXSA-N 1 0 367.469 1.129 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](CO)CC(F)F)[NH+](C)C)cc1 ZINC000899104946 845778253 /nfs/dbraw/zinc/77/82/53/845778253.db2.gz SWWLDCAQTAUTQD-UKRRQHHQSA-N 1 0 358.433 1.671 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCc3ncncc3C2)[NH+](C)C)cc1 ZINC000899098505 845791553 /nfs/dbraw/zinc/79/15/53/845791553.db2.gz PBZKFPQKYNBRIZ-IBGZPJMESA-N 1 0 368.485 1.913 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H](O)C(F)(F)C2)[NH+](C)C)cc1 ZINC000899099145 845793580 /nfs/dbraw/zinc/79/35/80/845793580.db2.gz WBGYVCLEHJTZAQ-HOTGVXAUSA-N 1 0 370.444 1.767 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccco2)[NH+](C)C)cc1 ZINC000899100822 845797534 /nfs/dbraw/zinc/79/75/34/845797534.db2.gz FAMNCOFFGRPTTR-IAGOWNOFSA-N 1 0 360.458 1.981 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cnccn2)[NH+](C)C)cc1 ZINC000899100474 845797764 /nfs/dbraw/zinc/79/77/64/845797764.db2.gz AADRYVQVWSZZDJ-GOSISDBHSA-N 1 0 356.474 1.987 20 10 FDCDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842237764 845841291 /nfs/dbraw/zinc/84/12/91/845841291.db2.gz 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CCC(CC)[NH2+]CCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000850520272 978414940 /nfs/dbraw/zinc/41/49/40/978414940.db2.gz YDIMSPQFONSMRY-UHFFFAOYSA-N 1 0 369.531 1.925 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NCC12CC(C1)C[NH2+]2 ZINC000851655801 978986320 /nfs/dbraw/zinc/98/63/20/978986320.db2.gz XWIRXKTWKYPUHL-UHFFFAOYSA-N 1 0 362.449 1.338 20 10 FDCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000851679457 978994610 /nfs/dbraw/zinc/99/46/10/978994610.db2.gz BHQGPYRQGHDCJY-HDICACEKSA-N 1 0 372.513 1.789 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C[NH3+])C1 ZINC000851685896 978997499 /nfs/dbraw/zinc/99/74/99/978997499.db2.gz XJXJMQMAOHNVEN-QAPCUYQASA-N 1 0 356.470 1.265 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1F ZINC000851806901 979057491 /nfs/dbraw/zinc/05/74/91/979057491.db2.gz BDHGAWLWSRXMSR-HXUWFJFHSA-N 1 0 373.428 1.329 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000852062921 979317280 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352.450 1.928 20 10 FDCDRO O=S1(=O)CCC(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000876965586 992987111 /nfs/dbraw/zinc/98/71/11/992987111.db2.gz IQFXDYGURCWCCG-UHFFFAOYSA-N 1 0 366.527 1.810 20 10 FDCDRO COC[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC[NH2+]1 ZINC000876975474 992992330 /nfs/dbraw/zinc/99/23/30/992992330.db2.gz IGRXNHULVMYLCF-HXUWFJFHSA-N 1 0 361.486 1.423 20 10 FDCDRO COc1cccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876977540 992993859 /nfs/dbraw/zinc/99/38/59/992993859.db2.gz WZAWOVZLNAQVHS-FQEVSTJZSA-N 1 0 369.465 1.973 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)c(OC)c1 ZINC000877228303 993119954 /nfs/dbraw/zinc/11/99/54/993119954.db2.gz XXOMGFBAKMQSHE-WFASDCNBSA-N 1 0 355.385 1.192 20 10 FDCDRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877475772 993297917 /nfs/dbraw/zinc/29/79/17/993297917.db2.gz WQEFEEDXNFLKAK-HNNXBMFYSA-N 1 0 356.488 1.573 20 10 FDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000877545482 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/nfs/dbraw/zinc/19/51/85/816195185.db2.gz RRYYQQFZCBWNQB-AEFFLSMTSA-N 1 0 370.501 1.866 20 10 FDCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncnn1C ZINC000894381994 817961744 /nfs/dbraw/zinc/96/17/44/817961744.db2.gz XBEYRUSYKLLQJU-BBRMVZONSA-N 1 0 359.478 1.544 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCN2CCCOCC2)c2cc(F)ccc2n1C ZINC000894776663 818431033 /nfs/dbraw/zinc/43/10/33/818431033.db2.gz JDZQIGGTOADKOO-UHFFFAOYSA-N 1 0 363.433 1.916 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCc2cnn(C)n2)[NH+](C)C)cc1 ZINC000895048500 819597496 /nfs/dbraw/zinc/59/74/96/819597496.db2.gz WDHPVCIAJKDBMJ-SFHVURJKSA-N 1 0 373.505 1.416 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895494375 822624816 /nfs/dbraw/zinc/62/48/16/822624816.db2.gz FSDVDMDJXMMSQM-IBGZPJMESA-N 1 0 359.470 1.202 20 10 FDCDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000895764329 822734232 /nfs/dbraw/zinc/73/42/32/822734232.db2.gz GAESRZJFYSTBMT-CYBMUJFWSA-N 1 0 355.232 1.540 20 10 FDCDRO CNC(=O)C1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000895883798 822783404 /nfs/dbraw/zinc/78/34/04/822783404.db2.gz ISNIGGFNXKEIEQ-UHFFFAOYSA-N 1 0 373.247 1.548 20 10 FDCDRO CNC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000895884855 822783735 /nfs/dbraw/zinc/78/37/35/822783735.db2.gz RVANAGZIEWKGLA-UHFFFAOYSA-N 1 0 351.422 1.047 20 10 FDCDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000896270117 824271548 /nfs/dbraw/zinc/27/15/48/824271548.db2.gz OIRCVSRYEVBWNE-ROUUACIJSA-N 1 0 360.454 1.621 20 10 FDCDRO CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000896886025 825664484 /nfs/dbraw/zinc/66/44/84/825664484.db2.gz NZCZNODYBUEDFO-UHFFFAOYSA-N 1 0 359.401 1.396 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000840938387 828063090 /nfs/dbraw/zinc/06/30/90/828063090.db2.gz CULKTLBLYSMZAV-UHFFFAOYSA-N 1 0 358.490 1.547 20 10 FDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000729328642 834977894 /nfs/dbraw/zinc/97/78/94/834977894.db2.gz UTLLCCYSWSXYFJ-PKOBYXMFSA-N 1 0 372.513 1.879 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2)C1 ZINC000841721495 835218144 /nfs/dbraw/zinc/21/81/44/835218144.db2.gz GZCCKBGRCMHLCK-OAHLLOKOSA-N 1 0 359.474 1.069 20 10 FDCDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915167 839978271 /nfs/dbraw/zinc/97/82/71/839978271.db2.gz MWNWJOOQNFGRTR-CQSZACIVSA-N 1 0 368.428 1.695 20 10 FDCDRO COc1cc(N2CCN(C(=O)N[C@H](C)CC[NH3+])CC2)cc(OC)c1OC ZINC000841966857 840273641 /nfs/dbraw/zinc/27/36/41/840273641.db2.gz GXUMAGKTQOZZOJ-CYBMUJFWSA-N 1 0 366.462 1.281 20 10 FDCDRO CCOCc1cc(C[NH2+]CCS(=O)(=O)N2CCCC2)ccc1OC ZINC000897831926 840472864 /nfs/dbraw/zinc/47/28/64/840472864.db2.gz CUQULZGUFOJXIB-UHFFFAOYSA-N 1 0 356.488 1.747 20 10 FDCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2Cl)C1 ZINC000842029743 840801790 /nfs/dbraw/zinc/80/17/90/840801790.db2.gz JFUKNXMODOXSJR-ZDUSSCGKSA-N 1 0 366.893 1.658 20 10 FDCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2Cl)C1 ZINC000842029945 840801851 /nfs/dbraw/zinc/80/18/51/840801851.db2.gz NROJRJGPYJICHH-LBPRGKRZSA-N 1 0 364.877 1.281 20 10 FDCDRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)nc[nH]1 ZINC000898151706 840829948 /nfs/dbraw/zinc/82/99/48/840829948.db2.gz UETLFBFDOQFPCZ-INIZCTEOSA-N 1 0 369.469 1.512 20 10 FDCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(O)ccc4ccncc43)C2)nn1 ZINC000760532770 842242936 /nfs/dbraw/zinc/24/29/36/842242936.db2.gz KVAHNGQJLCPNAF-CYBMUJFWSA-N 1 0 353.382 1.766 20 10 FDCDRO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000898447754 844715854 /nfs/dbraw/zinc/71/58/54/844715854.db2.gz LEPUAGPIKQJGLV-QILLFSRXSA-N 1 0 353.532 1.768 20 10 FDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148414 844986536 /nfs/dbraw/zinc/98/65/36/844986536.db2.gz NHAAFBCKXUENEA-DOMZBBRYSA-N 1 0 350.438 1.236 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842152248 845031529 /nfs/dbraw/zinc/03/15/29/845031529.db2.gz FKJKOPDAHZMFCT-UHFFFAOYSA-N 1 0 358.486 1.279 20 10 FDCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170595 845200725 /nfs/dbraw/zinc/20/07/25/845200725.db2.gz JWAJPTVPICZAPQ-GOSISDBHSA-N 1 0 358.486 1.511 20 10 FDCDRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1[NH3+] ZINC000842170489 845240667 /nfs/dbraw/zinc/24/06/67/845240667.db2.gz HAXWMDQYMHYPBT-SJLPKXTDSA-N 1 0 356.470 1.265 20 10 FDCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170506 845241678 /nfs/dbraw/zinc/24/16/78/845241678.db2.gz HMGSAIAZYWVTNW-RDJZCZTQSA-N 1 0 356.470 1.265 20 10 FDCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842174191 845329486 /nfs/dbraw/zinc/32/94/86/845329486.db2.gz CDOWDWRZENPOQZ-HZPDHXFCSA-N 1 0 360.502 1.412 20 10 FDCDRO C[NH+]1CC(C(=O)N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001142595980 845377456 /nfs/dbraw/zinc/37/74/56/845377456.db2.gz VSZWKBTYUFMFFO-UHFFFAOYSA-N 1 0 366.465 1.871 20 10 FDCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842184945 845424174 /nfs/dbraw/zinc/42/41/74/845424174.db2.gz XUUXHYHKSODSTP-CALCHBBNSA-N 1 0 374.529 1.802 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)c2ccnn2C)[NH+](C)C)cc1 ZINC000899097101 845758723 /nfs/dbraw/zinc/75/87/23/845758723.db2.gz ZUXHWSRASWUMPX-ZWKOTPCHSA-N 1 0 374.489 1.122 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H](O)[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000899097704 845760147 /nfs/dbraw/zinc/76/01/47/845760147.db2.gz FOTXJHNVXMRFFU-RCCFBDPRSA-N 1 0 364.490 1.194 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@]23CCOC3=O)[NH+](C)C)cc1 ZINC000899101520 845773530 /nfs/dbraw/zinc/77/35/30/845773530.db2.gz ISFHETRAJYNOHO-PXNSSMCTSA-N 1 0 374.485 1.846 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H](CO)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899101982 845774632 /nfs/dbraw/zinc/77/46/32/845774632.db2.gz JOMWFRBOIVGYCX-MSOLQXFVSA-N 1 0 374.489 1.122 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(F)(F)C[C@H]2CO)[NH+](C)C)cc1 ZINC000899102068 845774640 /nfs/dbraw/zinc/77/46/40/845774640.db2.gz JVUQHTRRKFKSLP-JKSUJKDBSA-N 1 0 370.444 1.767 20 10 FDCDRO Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000842238229 845863570 /nfs/dbraw/zinc/86/35/70/845863570.db2.gz LFFRRGJOGLXLKD-GOSISDBHSA-N 1 0 358.486 1.404 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@](C)(O)C(F)F)CC2)cc1 ZINC000905027070 851624137 /nfs/dbraw/zinc/62/41/37/851624137.db2.gz PJBUWNOCKAWXIT-SFHVURJKSA-N 1 0 357.445 1.813 20 10 FDCDRO C[NH+](C)CCn1nccc1C(=O)NCc1cccc(Br)c1O ZINC000907758661 854604065 /nfs/dbraw/zinc/60/40/65/854604065.db2.gz RRJOLVQGUPFKBK-UHFFFAOYSA-N 1 0 367.247 1.843 20 10 FDCDRO CC(C)OCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908457279 855468186 /nfs/dbraw/zinc/46/81/86/855468186.db2.gz BACYXWWODQYAHY-KRWDZBQOSA-N 1 0 357.520 1.700 20 10 FDCDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCSc1nccs1)C2 ZINC000911054437 858050019 /nfs/dbraw/zinc/05/00/19/858050019.db2.gz HSHOOXXCJZJKDV-TUAOUCFPSA-N 1 0 354.501 1.080 20 10 FDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000911112282 858207119 /nfs/dbraw/zinc/20/71/19/858207119.db2.gz KQUCUTRFLPLZNO-AWEZNQCLSA-N 1 0 350.438 1.108 20 10 FDCDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000911227354 858373588 /nfs/dbraw/zinc/37/35/88/858373588.db2.gz CNRUCRHTFUSGHX-BQFCYCMXSA-N 1 0 356.470 1.241 20 10 FDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911303511 858440181 /nfs/dbraw/zinc/44/01/81/858440181.db2.gz JYDSKPRCJLASNY-IBGZPJMESA-N 1 0 364.442 1.131 20 10 FDCDRO CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911289019 858459776 /nfs/dbraw/zinc/45/97/76/858459776.db2.gz XNZWDYZVPRVWLS-UHFFFAOYSA-N 1 0 358.486 1.451 20 10 FDCDRO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC000911665148 858876820 /nfs/dbraw/zinc/87/68/20/858876820.db2.gz AJLUUONARWZEMJ-GUDVDZBRSA-N 1 0 362.518 1.758 20 10 FDCDRO CNC(=O)Nc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911667732 858880945 /nfs/dbraw/zinc/88/09/45/858880945.db2.gz RHWJBHWERSWRCD-QGZVFWFLSA-N 1 0 355.442 1.934 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccnn2CC[NH+](C)C)cc1 ZINC000911892988 859098206 /nfs/dbraw/zinc/09/82/06/859098206.db2.gz OFQQMOCJMSCBMR-UHFFFAOYSA-N 1 0 359.474 1.662 20 10 FDCDRO CC(C)CN1C(=O)C(=CNC[C@@H](c2ccccc2)[NH+](C)C)C(=O)NC1=S ZINC000028976051 881416402 /nfs/dbraw/zinc/41/64/02/881416402.db2.gz XPXGMNAWKUNXTK-IZNAZMGOSA-N 1 0 374.510 1.662 20 10 FDCDRO COCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000171204962 865148230 /nfs/dbraw/zinc/14/82/30/865148230.db2.gz HCWPFUBSTFCHSZ-UHFFFAOYSA-N 1 0 364.490 1.541 20 10 FDCDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000914255770 872073427 /nfs/dbraw/zinc/07/34/27/872073427.db2.gz WLUGESGQYPKVSS-BEFAXECRSA-N 1 0 360.502 1.787 20 10 FDCDRO CC1CC[NH+](CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000762018784 874980036 /nfs/dbraw/zinc/98/00/36/874980036.db2.gz MAHGUDFDHXNPHZ-GOSISDBHSA-N 1 0 372.513 1.736 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCCS3(=O)=O)cc2)CC1 ZINC000918906854 885011984 /nfs/dbraw/zinc/01/19/84/885011984.db2.gz RSZAWMLAWCOBAW-SFHVURJKSA-N 1 0 365.499 1.022 20 10 FDCDRO CCO[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C[NH+](C)C ZINC000923188107 888311349 /nfs/dbraw/zinc/31/13/49/888311349.db2.gz PHVZXTXQOAEGHV-YJBOKZPZSA-N 1 0 364.490 1.540 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)c1 ZINC000179684441 888839294 /nfs/dbraw/zinc/83/92/94/888839294.db2.gz AGPVQGCTXNLUBW-UHFFFAOYSA-N 1 0 354.414 1.469 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000804237165 890541139 /nfs/dbraw/zinc/54/11/39/890541139.db2.gz CIYOOASBMZBTHR-UHFFFAOYSA-N 1 0 374.529 1.948 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000670984696 892766641 /nfs/dbraw/zinc/76/66/41/892766641.db2.gz VHXYLAUAKULHAI-HNNXBMFYSA-N 1 0 370.497 1.951 20 10 FDCDRO CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001078253761 898534464 /nfs/dbraw/zinc/53/44/64/898534464.db2.gz QBBOQQRDSXHAPK-RRFJBIMHSA-N 1 0 363.418 1.049 20 10 FDCDRO COc1ccc(N2CCC([NH2+]CCCN(C)S(C)(=O)=O)CC2)cc1 ZINC000764904937 905950371 /nfs/dbraw/zinc/95/03/71/905950371.db2.gz OSROYVFWPLMDGM-UHFFFAOYSA-N 1 0 355.504 1.535 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C)cc1C ZINC001082508474 908156591 /nfs/dbraw/zinc/15/65/91/908156591.db2.gz GYRCQELCFAFSDV-BPQIPLTHSA-N 1 0 362.470 1.746 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C)cc1C ZINC001082694383 909638688 /nfs/dbraw/zinc/63/86/88/909638688.db2.gz NKPPBNAKEFJRQI-HYVNUMGLSA-N 1 0 359.470 1.418 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@]3(C)C[NH+](C)C[C@]3(C)C1)cc2=O ZINC000823275450 921669707 /nfs/dbraw/zinc/66/97/07/921669707.db2.gz HZMXUTFFGLSULT-RTBURBONSA-N 1 0 373.457 1.385 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]c(C(N)=O)c3)cc2F)CC1 ZINC000730235171 916382315 /nfs/dbraw/zinc/38/23/15/916382315.db2.gz LXJJNOJGXVZVBY-UHFFFAOYSA-N 1 0 373.432 1.325 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3nccc(CO)n3)CC2)cc1 ZINC000767164062 929107907 /nfs/dbraw/zinc/10/79/07/929107907.db2.gz AEYVFZSNEJDZLV-UHFFFAOYSA-N 1 0 357.458 1.602 20 10 FDCDRO CN(CCC[NH2+]Cc1ccc(Br)cc1O)S(C)(=O)=O ZINC000691444327 929251009 /nfs/dbraw/zinc/25/10/09/929251009.db2.gz LSMPTRWDOPXCSG-UHFFFAOYSA-N 1 0 351.266 1.526 20 10 FDCDRO O=C(CNC(=O)C1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771059448 930407024 /nfs/dbraw/zinc/40/70/24/930407024.db2.gz RMTQFGLVEJWJBL-OAHLLOKOSA-N 1 0 365.861 1.652 20 10 FDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000787750827 932386452 /nfs/dbraw/zinc/38/64/52/932386452.db2.gz IJERYIIEPTWDNP-HOTGVXAUSA-N 1 0 360.502 1.920 20 10 FDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000789776105 933185138 /nfs/dbraw/zinc/18/51/38/933185138.db2.gz XPDGYPDMTOICRI-OAHLLOKOSA-N 1 0 354.472 1.791 20 10 FDCDRO C[NH+]1CCN(C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc2)CC1 ZINC000790633033 933634121 /nfs/dbraw/zinc/63/41/21/933634121.db2.gz CDHNLTJGQVTATE-KRWDZBQOSA-N 1 0 355.438 1.816 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccn(C)n3)cc2F)CC1 ZINC000794297465 938383033 /nfs/dbraw/zinc/38/30/33/938383033.db2.gz QLARTULBBVIZIJ-UHFFFAOYSA-N 1 0 373.476 1.950 20 10 FDCDRO COc1ccc(N2CCN(CCNc3nc(OC)cc(OC)n3)CC2)cc1 ZINC000804388265 938408898 /nfs/dbraw/zinc/40/88/98/938408898.db2.gz RFJWOSYIOFHQDQ-UHFFFAOYSA-N 1 0 373.457 1.737 20 10 FDCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C ZINC000806040127 938879509 /nfs/dbraw/zinc/87/95/09/938879509.db2.gz DVDCDTDMFCTCPB-DOTOQJQBSA-N 1 0 356.470 1.278 20 10 FDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000806494323 939944011 /nfs/dbraw/zinc/94/40/11/939944011.db2.gz OVFMDIHKFFMPOD-HOCLYGCPSA-N 1 0 361.490 1.138 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000807098111 940249178 /nfs/dbraw/zinc/24/91/78/940249178.db2.gz TWQCRPFSECUXHO-GOSISDBHSA-N 1 0 358.486 1.374 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000807099588 940249555 /nfs/dbraw/zinc/24/95/55/940249555.db2.gz ADHRLVWNCIOQKB-HKUYNNGSSA-N 1 0 372.513 1.620 20 10 FDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000807101067 940249660 /nfs/dbraw/zinc/24/96/60/940249660.db2.gz SUINRMPJLMNRKJ-SFHVURJKSA-N 1 0 360.502 1.620 20 10 FDCDRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000807605349 940427209 /nfs/dbraw/zinc/42/72/09/940427209.db2.gz MGRDFVLPDAAWRF-HNNXBMFYSA-N 1 0 362.518 1.804 20 10 FDCDRO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000809694078 940879539 /nfs/dbraw/zinc/87/95/39/940879539.db2.gz IZJLFNMXOMHMGK-UHFFFAOYSA-N 1 0 367.515 1.284 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000809883009 940914899 /nfs/dbraw/zinc/91/48/99/940914899.db2.gz BBIFNALNKCOZKZ-MRXNPFEDSA-N 1 0 362.518 1.948 20 10 FDCDRO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000810056291 940942235 /nfs/dbraw/zinc/94/22/35/940942235.db2.gz LNGVMPLSJFCVBQ-UHFFFAOYSA-N 1 0 373.494 1.628 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCO[C@H]2C[C@H]21 ZINC000813700932 941453132 /nfs/dbraw/zinc/45/31/32/941453132.db2.gz HIYNASVLRPULOR-UXHICEINSA-N 1 0 370.497 1.901 20 10 FDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000813855805 941481265 /nfs/dbraw/zinc/48/12/65/941481265.db2.gz UNUMIXDMPRCTHZ-RDJZCZTQSA-N 1 0 358.486 1.535 20 10 FDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000815576058 941910812 /nfs/dbraw/zinc/91/08/12/941910812.db2.gz IMKXPKPJXQLLHL-OAHLLOKOSA-N 1 0 355.504 1.237 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1C ZINC001086791244 942503818 /nfs/dbraw/zinc/50/38/18/942503818.db2.gz SNVCFOKMBPZSJN-XHSDSOJGSA-N 1 0 360.458 1.060 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCn1ccnc1 ZINC000817173280 942610153 /nfs/dbraw/zinc/61/01/53/942610153.db2.gz JXIRWMNWYMOKCZ-OAHLLOKOSA-N 1 0 357.458 1.121 20 10 FDCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000817834164 942996384 /nfs/dbraw/zinc/99/63/84/942996384.db2.gz YMXSWAJWJYIEMU-CRAIPNDOSA-N 1 0 360.502 1.871 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000817823276 943027709 /nfs/dbraw/zinc/02/77/09/943027709.db2.gz SZUIQOORTNXSMQ-JZXOWHBKSA-N 1 0 374.529 1.707 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000817880350 943060541 /nfs/dbraw/zinc/06/05/41/943060541.db2.gz PVSBNPWMZIYZRS-UHFFFAOYSA-N 1 0 360.502 1.700 20 10 FDCDRO CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894427 943068149 /nfs/dbraw/zinc/06/81/49/943068149.db2.gz YSVWUYRENHSZLV-ROUUACIJSA-N 1 0 351.516 1.542 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817910372 943073931 /nfs/dbraw/zinc/07/39/31/943073931.db2.gz SYUQNDONYXYQIY-UHFFFAOYSA-N 1 0 358.486 1.504 20 10 FDCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000817916128 943076182 /nfs/dbraw/zinc/07/61/82/943076182.db2.gz VIEUUDCOANIFDR-INIZCTEOSA-N 1 0 359.470 1.874 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000817918060 943077394 /nfs/dbraw/zinc/07/73/94/943077394.db2.gz GTFJIAHAFXFCKK-QZTJIDSGSA-N 1 0 372.513 1.559 20 10 FDCDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817920747 943077979 /nfs/dbraw/zinc/07/79/79/943077979.db2.gz VJZSTWDVACDCQE-GOSISDBHSA-N 1 0 372.513 1.846 20 10 FDCDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000817926704 943082471 /nfs/dbraw/zinc/08/24/71/943082471.db2.gz SKZFKMWUUNUYBX-MRXNPFEDSA-N 1 0 358.486 1.454 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000817932715 943098197 /nfs/dbraw/zinc/09/81/97/943098197.db2.gz WWEQPLZKHLQRGA-WBVHZDCISA-N 1 0 360.502 1.685 20 10 FDCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818216746 943199157 /nfs/dbraw/zinc/19/91/57/943199157.db2.gz YQRHSDBZMVOMPP-AWEZNQCLSA-N 1 0 355.442 1.717 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000818655298 943318481 /nfs/dbraw/zinc/31/84/81/943318481.db2.gz KPXSQIBUBWSMHM-CRAIPNDOSA-N 1 0 362.474 1.199 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CN1CCOCC1 ZINC000818964054 943345574 /nfs/dbraw/zinc/34/55/74/943345574.db2.gz JHHLSBINAUCHEH-SFHVURJKSA-N 1 0 351.516 1.023 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)CSC)CC2)cc1 ZINC000818942504 943354181 /nfs/dbraw/zinc/35/41/81/943354181.db2.gz FGAATACCADPGJJ-QGZVFWFLSA-N 1 0 353.532 1.521 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3CCSCC3)CC2)cc1 ZINC000818995987 943377010 /nfs/dbraw/zinc/37/70/10/943377010.db2.gz ZXYBDCZPYLPTAS-GOSISDBHSA-N 1 0 365.543 1.663 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cn3)cc2)C1 ZINC000818967979 943385578 /nfs/dbraw/zinc/38/55/78/943385578.db2.gz HFNWBBJEBJXCJT-HNAYVOBHSA-N 1 0 372.444 1.746 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000819272828 943521641 /nfs/dbraw/zinc/52/16/41/943521641.db2.gz INUJBTKSWFFFGV-WMZOPIPTSA-N 1 0 365.543 1.521 20 10 FDCDRO CC[C@](C)(C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)OC ZINC000819344890 943534974 /nfs/dbraw/zinc/53/49/74/943534974.db2.gz QETFAPUYOKFRJJ-AZUAARDMSA-N 1 0 365.518 1.583 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000819585246 943635134 /nfs/dbraw/zinc/63/51/34/943635134.db2.gz CQPFYKLFTOLJNM-IAGOWNOFSA-N 1 0 361.486 1.606 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114176687 971100346 /nfs/dbraw/zinc/10/03/46/971100346.db2.gz AQFUARXQGIEGEJ-KRWDZBQOSA-N 1 0 360.502 1.511 20 10 FDCDRO COC(=O)Cn1cc(CN2CCCN(c3ccc(OC)cc3)CC2)nn1 ZINC000823418455 945763318 /nfs/dbraw/zinc/76/33/18/945763318.db2.gz FQCNVOVDVAQXCG-UHFFFAOYSA-N 1 0 359.430 1.172 20 10 FDCDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823552511 945845546 /nfs/dbraw/zinc/84/55/46/945845546.db2.gz AWCRHYGUJQYZNZ-SFHVURJKSA-N 1 0 360.502 1.883 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCCC[C@@H]3CS(C)(=O)=O)cc2)CC1 ZINC000824914147 946855356 /nfs/dbraw/zinc/85/53/56/946855356.db2.gz NBJGEQWSFIOMNZ-LJQANCHMSA-N 1 0 365.543 1.838 20 10 FDCDRO COc1cc(Br)cc(CN2CC[N@H+](CCO)C[C@@H]2C)c1O ZINC000825337967 947162744 /nfs/dbraw/zinc/16/27/44/947162744.db2.gz JVOJPCUHYIBVMQ-NSHDSACASA-N 1 0 359.264 1.662 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](CO)C3)CC2)cc1 ZINC000856791177 971393875 /nfs/dbraw/zinc/39/38/75/971393875.db2.gz SJQZTKKPIYUOBN-SJORKVTESA-N 1 0 361.486 1.294 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C)[C@H]3C[NH3+])CC2)cc1 ZINC000844220613 947850920 /nfs/dbraw/zinc/85/09/20/947850920.db2.gz ZDHOXMMGPRIDGK-QFBILLFUSA-N 1 0 360.502 1.403 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844226856 947862324 /nfs/dbraw/zinc/86/23/24/947862324.db2.gz QWJNUIKSUYLGOV-SJORKVTESA-N 1 0 360.502 1.261 20 10 FDCDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845005919 948584532 /nfs/dbraw/zinc/58/45/32/948584532.db2.gz UDQSKGURUPIRRC-LBPRGKRZSA-N 1 0 368.865 1.432 20 10 FDCDRO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(O)cc(O)cc1O)CCO2 ZINC001144508285 949736384 /nfs/dbraw/zinc/73/63/84/949736384.db2.gz LIQUMMPFCLCYSW-IBGZPJMESA-N 1 0 364.442 1.653 20 10 FDCDRO Oc1cc(O)c(C[N@@H+]2CCc3onc(CN4CCOCC4)c3C2)c(O)c1 ZINC001144509832 949788717 /nfs/dbraw/zinc/78/87/17/949788717.db2.gz LMPYACWNSBSAIA-UHFFFAOYSA-N 1 0 361.398 1.182 20 10 FDCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144514381 949802224 /nfs/dbraw/zinc/80/22/24/949802224.db2.gz AMSLHJNZIQMQPZ-CHWSQXEVSA-N 1 0 354.403 1.263 20 10 FDCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514465 949803240 /nfs/dbraw/zinc/80/32/40/949803240.db2.gz GDJCPBNYVGANLH-UHFFFAOYSA-N 1 0 358.394 1.912 20 10 FDCDRO O=S1(=O)CCCCN1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516386 949808180 /nfs/dbraw/zinc/80/81/80/949808180.db2.gz XDKZCPYVSAJFIJ-UHFFFAOYSA-N 1 0 356.444 1.193 20 10 FDCDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2 ZINC000846137176 950617570 /nfs/dbraw/zinc/61/75/70/950617570.db2.gz AXHWRETZUVFVTP-PXNSSMCTSA-N 1 0 358.486 1.794 20 10 FDCDRO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144852802 951222951 /nfs/dbraw/zinc/22/29/51/951222951.db2.gz JTDJITPJTZLJFG-UHFFFAOYSA-N 1 0 367.471 1.462 20 10 FDCDRO [NH3+]CCc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000846674305 951437497 /nfs/dbraw/zinc/43/74/97/951437497.db2.gz WNJUWKGMJZFJKM-UHFFFAOYSA-N 1 0 373.478 1.675 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCCC[C@@H]3CO)CC2)cc1 ZINC000847013795 951768951 /nfs/dbraw/zinc/76/89/51/951768951.db2.gz JSWYUXUADMCTGJ-GOSISDBHSA-N 1 0 361.486 1.581 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000774479586 962233744 /nfs/dbraw/zinc/23/37/44/962233744.db2.gz PUCDBOKWLFDALH-ZQIUZPCESA-N 1 0 367.515 1.437 20 10 FDCDRO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C[C@@H]1C(=O)OC ZINC001173582755 962453537 /nfs/dbraw/zinc/45/35/37/962453537.db2.gz FTJJXKVXLXMKPK-QDMKHBRRSA-N 1 0 363.410 1.587 20 10 FDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000773739364 964183738 /nfs/dbraw/zinc/18/37/38/964183738.db2.gz GCUQDWHZUMJBLL-YCRPNKLZSA-N 1 0 370.449 1.782 20 10 FDCDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775260929 967027549 /nfs/dbraw/zinc/02/75/49/967027549.db2.gz RKUHPRAIKOFHJO-OXQOHEQNSA-N 1 0 373.497 1.811 20 10 FDCDRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260310 967030438 /nfs/dbraw/zinc/03/04/38/967030438.db2.gz OJXMYDOBQDJGCM-INIZCTEOSA-N 1 0 370.515 1.625 20 10 FDCDRO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852182325 967065215 /nfs/dbraw/zinc/06/52/15/967065215.db2.gz NXDOHBJEMJEXLE-INIZCTEOSA-N 1 0 364.490 1.541 20 10 FDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[N@@H+]1C ZINC000852189504 967075134 /nfs/dbraw/zinc/07/51/34/967075134.db2.gz JPSSIHGALUNDRS-WBVHZDCISA-N 1 0 360.502 1.930 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@]3(C)OC)cc2F)CC1 ZINC000852686943 967530285 /nfs/dbraw/zinc/53/02/85/967530285.db2.gz CGXFTNKMGOBCOT-MJGOQNOKSA-N 1 0 364.465 1.944 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000852762817 967588876 /nfs/dbraw/zinc/58/88/76/967588876.db2.gz XJFNEPJMNYULEU-HNNXBMFYSA-N 1 0 374.407 1.165 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)C1 ZINC000852861482 967667203 /nfs/dbraw/zinc/66/72/03/967667203.db2.gz WFCNDHZMESKQTN-QGZVFWFLSA-N 1 0 356.470 1.314 20 10 FDCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852870297 967676724 /nfs/dbraw/zinc/67/67/24/967676724.db2.gz RLPMQQSDJVTOCC-KCXAZCMYSA-N 1 0 369.412 1.737 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373027 967742548 /nfs/dbraw/zinc/74/25/48/967742548.db2.gz LHUXLQLYLMOOBR-DTWKUNHWSA-N 1 0 363.336 1.828 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncn(C)c3C)CC2)cc1 ZINC001194861806 970481590 /nfs/dbraw/zinc/48/15/90/970481590.db2.gz OXENCSFNLQAXRZ-UHFFFAOYSA-N 1 0 371.485 1.679 20 10 FDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000775834049 972975984 /nfs/dbraw/zinc/97/59/84/972975984.db2.gz OQFNFAGMDAOSMJ-IPYPFGDCSA-N 1 0 353.488 1.095 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000775834051 972976266 /nfs/dbraw/zinc/97/62/66/972976266.db2.gz OQFNFAGMDAOSMJ-KCQAQPDRSA-N 1 0 353.488 1.095 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2F)C[C@@H](C)O1 ZINC000863550576 973005849 /nfs/dbraw/zinc/00/58/49/973005849.db2.gz AQWOSHRPNYVEPP-JFIYKMOQSA-N 1 0 365.493 1.986 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000863588239 973037643 /nfs/dbraw/zinc/03/76/43/973037643.db2.gz GUJDDIPMGFWETJ-XKGZKEIXSA-N 1 0 363.502 1.193 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)c3ccn(C)n3)CC2)cc1 ZINC000794562690 973232420 /nfs/dbraw/zinc/23/24/20/973232420.db2.gz WDKKQHBWZWQAHI-KRWDZBQOSA-N 1 0 359.474 1.048 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3conc3C)CC2)cc1 ZINC000864616226 973686851 /nfs/dbraw/zinc/68/68/51/973686851.db2.gz IJWRQIWFGGQRHL-UHFFFAOYSA-N 1 0 358.442 1.934 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nocc3C)CC2)cc1 ZINC000864616232 973686950 /nfs/dbraw/zinc/68/69/50/973686950.db2.gz IMGLLMKFCNTPLT-UHFFFAOYSA-N 1 0 358.442 1.934 20 10 FDCDRO CCOC(=O)c1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000865763377 974468988 /nfs/dbraw/zinc/46/89/88/974468988.db2.gz HCKNZJZWPLQQFV-UHFFFAOYSA-N 1 0 358.442 1.893 20 10 FDCDRO C[NH+](C)CCn1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000847603611 975895835 /nfs/dbraw/zinc/89/58/35/975895835.db2.gz DUPABVUGRXQZJH-KRWDZBQOSA-N 1 0 372.469 1.972 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]CCC3(C)C)CC2)cc1 ZINC000866699137 975927182 /nfs/dbraw/zinc/92/71/82/975927182.db2.gz KQRBFTGFODODQD-UHFFFAOYSA-N 1 0 360.502 1.418 20 10 FDCDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690217 976641905 /nfs/dbraw/zinc/64/19/05/976641905.db2.gz CZRKOVYMDRIPEH-UHFFFAOYSA-N 1 0 364.471 1.472 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)C1 ZINC000848410707 976721855 /nfs/dbraw/zinc/72/18/55/976721855.db2.gz IXJORTQZVLHVKI-BLIXFSHQSA-N 1 0 370.497 1.394 20 10 FDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848546540 976897907 /nfs/dbraw/zinc/89/79/07/976897907.db2.gz ARSNODOFEDYQGB-QMMMGPOBSA-N 1 0 367.265 1.363 20 10 FDCDRO C[C@H]1CN(C(=[NH2+])NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC000849094131 977311296 /nfs/dbraw/zinc/31/12/96/977311296.db2.gz CPQWQVONPYPPPT-GOEBONIOSA-N 1 0 359.474 1.133 20 10 FDCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849329384 977431170 /nfs/dbraw/zinc/43/11/70/977431170.db2.gz WFMGJCKCCSVACU-SFHVURJKSA-N 1 0 370.515 1.045 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108562942 977509788 /nfs/dbraw/zinc/50/97/88/977509788.db2.gz NTHJSCNGDJJZMI-GOSISDBHSA-N 1 0 358.486 1.807 20 10 FDCDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1O ZINC000868375115 977560331 /nfs/dbraw/zinc/56/03/31/977560331.db2.gz NFNODIPUOYIFOF-CVEARBPZSA-N 1 0 362.474 1.159 20 10 FDCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849562283 977752903 /nfs/dbraw/zinc/75/29/03/977752903.db2.gz DRFMEBBJVPPVBE-SJORKVTESA-N 1 0 358.442 1.486 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H](c2cnn(C)c2)C1 ZINC000849565936 977762218 /nfs/dbraw/zinc/76/22/18/977762218.db2.gz XHRFMWFDJRJLPK-IRXDYDNUSA-N 1 0 372.469 1.962 20 10 FDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000851630145 978978482 /nfs/dbraw/zinc/97/84/82/978978482.db2.gz GZHOADSPAOXTEW-VBQJREDUSA-N 1 0 367.465 1.808 20 10 FDCDRO CC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC[NH2+]CC1 ZINC000851662775 978988740 /nfs/dbraw/zinc/98/87/40/978988740.db2.gz JBSRHROAYUNZBB-UHFFFAOYSA-N 1 0 360.502 1.837 20 10 FDCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664454 978988950 /nfs/dbraw/zinc/98/89/50/978988950.db2.gz BVEHUZFYBQHSDY-APWZRJJASA-N 1 0 360.502 1.964 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000851685777 978997500 /nfs/dbraw/zinc/99/75/00/978997500.db2.gz GLOBLMLNOQIHRR-UKRRQHHQSA-N 1 0 368.428 1.186 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000851691884 979001114 /nfs/dbraw/zinc/00/11/14/979001114.db2.gz SDSJCIXUONYLGZ-UHFFFAOYSA-N 1 0 356.470 1.112 20 10 FDCDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(F)cc(C(C)=O)c3O)nn2)n1 ZINC000880995980 979567387 /nfs/dbraw/zinc/56/73/87/979567387.db2.gz KHPQBNHXOKDUDJ-UHFFFAOYSA-N 1 0 372.404 1.728 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000881083869 979645040 /nfs/dbraw/zinc/64/50/40/979645040.db2.gz KWSNDQXVJUCLTN-INIZCTEOSA-N 1 0 356.474 1.155 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOC[C@H]3CCCO3)cc2)CC1 ZINC000881850555 980212014 /nfs/dbraw/zinc/21/20/14/980212014.db2.gz YCXPCHOXZDXHAR-LJQANCHMSA-N 1 0 361.486 1.640 20 10 FDCDRO Cn1nnc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC000881852234 980215551 /nfs/dbraw/zinc/21/55/51/980215551.db2.gz ZRNKFCAYBZYIQI-UHFFFAOYSA-N 1 0 364.453 1.650 20 10 FDCDRO Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000881855647 980221253 /nfs/dbraw/zinc/22/12/53/980221253.db2.gz ZJZNJFQODWJJOF-GOSISDBHSA-N 1 0 367.497 1.822 20 10 FDCDRO CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855351 980221330 /nfs/dbraw/zinc/22/13/30/980221330.db2.gz UEIRRZRLLCETLD-FQEVSTJZSA-N 1 0 374.529 1.996 20 10 FDCDRO C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662269 980802222 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CC1(C)CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[NH2+]C1 ZINC000884566567 983248590 /nfs/dbraw/zinc/24/85/90/983248590.db2.gz NXFCCEUNFVVMCL-KRWDZBQOSA-N 1 0 370.497 1.573 20 10 FDCDRO CN(CCCCCC[NH3+])C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000884566695 983248817 /nfs/dbraw/zinc/24/88/17/983248817.db2.gz QXAWJWIZXZFAQX-UHFFFAOYSA-N 1 0 358.486 1.657 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000884633327 983299607 /nfs/dbraw/zinc/29/96/07/983299607.db2.gz COUKNYHHAMSQRP-OCCSQVGLSA-N 1 0 368.428 1.291 20 10 FDCDRO COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1O ZINC000861491422 983746083 /nfs/dbraw/zinc/74/60/83/983746083.db2.gz PRERTUYXWILBAM-UHFFFAOYSA-N 1 0 371.393 1.138 20 10 FDCDRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000861566305 983780799 /nfs/dbraw/zinc/78/07/99/983780799.db2.gz UCKHEUVEGPKLTQ-INIZCTEOSA-N 1 0 364.490 1.462 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1F ZINC000861688837 983828484 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CCO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895255884 822282266 /nfs/dbraw/zinc/28/22/66/822282266.db2.gz RXBSJENCECQSAN-FGTMMUONSA-N 1 0 364.490 1.458 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[NH+]3CCC(O)CC3)C2)cc1 ZINC000895651178 822682522 /nfs/dbraw/zinc/68/25/22/822682522.db2.gz UZTSGZRARJGMAK-OAHLLOKOSA-N 1 0 362.474 1.030 20 10 FDCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ncnn21 ZINC000895660873 822688187 /nfs/dbraw/zinc/68/81/87/822688187.db2.gz ZJMHGTTYDMVGJO-COXVUDFISA-N 1 0 371.489 1.952 20 10 FDCDRO COC(=O)c1c(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c2cc(F)ccc2n1C ZINC000895689565 822699455 /nfs/dbraw/zinc/69/94/55/822699455.db2.gz ZEYBEIRCJCAGQG-HAQNSBGRSA-N 1 0 368.430 1.769 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1Cn1cccn1 ZINC000895767480 822734694 /nfs/dbraw/zinc/73/46/94/822734694.db2.gz ZDRJSKURVBDBJK-GOSISDBHSA-N 1 0 370.453 1.325 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1Cn1cccn1 ZINC000895767482 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1.600 20 10 FDCDRO O=c1ccn(CCC[NH2+]Cc2c(O)cccc2Br)c(=O)[nH]1 ZINC000898325742 840946393 /nfs/dbraw/zinc/94/63/93/840946393.db2.gz JRXUYHYVAFBWOL-UHFFFAOYSA-N 1 0 354.204 1.597 20 10 FDCDRO C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327355 840947848 /nfs/dbraw/zinc/94/78/48/840947848.db2.gz DNKMEIYDJUSLHJ-MRXNPFEDSA-N 1 0 358.486 1.456 20 10 FDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898368364 841020686 /nfs/dbraw/zinc/02/06/86/841020686.db2.gz XQMBKNPJUJFGDI-LLVKDONJSA-N 1 0 350.806 1.918 20 10 FDCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCS(=O)(=O)CC2)N(C)C)cc1 ZINC000898447913 844715883 /nfs/dbraw/zinc/71/58/83/844715883.db2.gz MXHSMIVLUATSBI-WMZOPIPTSA-N 1 0 353.532 1.912 20 10 FDCDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148415 844986658 /nfs/dbraw/zinc/98/66/58/844986658.db2.gz NHAAFBCKXUENEA-IUODEOHRSA-N 1 0 350.438 1.236 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000842187356 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VBLNUTBGHFPXGK-VQIMIIECSA-N 1 0 361.490 1.262 20 10 FDCDRO CC(C)[C@@H](CO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105802 845780531 /nfs/dbraw/zinc/78/05/31/845780531.db2.gz ZAIUORJNOWTTQK-SJLPKXTDSA-N 1 0 350.507 1.919 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC000899098495 845791243 /nfs/dbraw/zinc/79/12/43/845791243.db2.gz OYPFQUGMTICWIP-HYVNUMGLSA-N 1 0 361.490 1.261 20 10 FDCDRO CCC[C@H](O)[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098816 845792520 /nfs/dbraw/zinc/79/25/20/845792520.db2.gz SMSHMHDRNRXRPF-SQNIBIBYSA-N 1 0 366.506 1.176 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(O)CCSC2)[NH+](C)C)cc1 ZINC000899100818 845797897 /nfs/dbraw/zinc/79/78/97/845797897.db2.gz DZOQFAKGCAYESX-WMZOPIPTSA-N 1 0 366.531 1.523 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000905004008 851566706 /nfs/dbraw/zinc/56/67/06/851566706.db2.gz ZYGRITSECTWSCS-UWJYYQICSA-N 1 0 372.513 1.831 20 10 FDCDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000905051964 851613065 /nfs/dbraw/zinc/61/30/65/851613065.db2.gz KMWDNTIKIQFGTK-INIZCTEOSA-N 1 0 352.450 1.808 20 10 FDCDRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000905143599 851701177 /nfs/dbraw/zinc/70/11/77/851701177.db2.gz CNOKHCLWKQVPLD-KRWDZBQOSA-N 1 0 366.477 1.933 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911049510 858088025 /nfs/dbraw/zinc/08/80/25/858088025.db2.gz PZLQIFKVKRSBML-CVEARBPZSA-N 1 0 360.502 1.306 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911124922 858179507 /nfs/dbraw/zinc/17/95/07/858179507.db2.gz MQILTEIRTOEFAA-UZLBHIALSA-N 1 0 358.486 1.407 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159245 858242539 /nfs/dbraw/zinc/24/25/39/858242539.db2.gz PQEDUKHSNHZFMW-NVXWUHKLSA-N 1 0 356.470 1.041 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 ZINC000911668270 858880870 /nfs/dbraw/zinc/88/08/70/858880870.db2.gz XLBLFWLIFYYTIX-AEFFLSMTSA-N 1 0 353.426 1.457 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC3(CCOC3)CC1)cc2=O ZINC000761058798 863973841 /nfs/dbraw/zinc/97/38/41/863973841.db2.gz NMEATAOWDPXRIK-UHFFFAOYSA-N 1 0 360.414 1.614 20 10 FDCDRO COc1ccc(N2CCN(CCN3C(=O)N[C@@H](CC4CC4)C3=O)CC2)cc1 ZINC000761181439 864285568 /nfs/dbraw/zinc/28/55/68/864285568.db2.gz AKYDFMYSZIXYKM-SFHVURJKSA-N 1 0 372.469 1.538 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000174046080 866241466 /nfs/dbraw/zinc/24/14/66/866241466.db2.gz ODJRGJAPEQLOIB-KRWDZBQOSA-N 1 0 360.502 1.559 20 10 FDCDRO CC(C)[C@H](CNC(=O)NCc1c(O)cccc1F)[NH+]1CCN(C)CC1 ZINC000913998195 870289990 /nfs/dbraw/zinc/28/99/90/870289990.db2.gz JBVBRWUTLNLGMS-INIZCTEOSA-N 1 0 352.454 1.603 20 10 FDCDRO C[C@H]1[C@@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000922824820 879383377 /nfs/dbraw/zinc/38/33/77/879383377.db2.gz VEGDXPWMXKXNFV-LRDDRELGSA-N 1 0 368.428 1.693 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cncc(O)c3)cc2)CC1 ZINC000918857433 884963384 /nfs/dbraw/zinc/96/33/84/884963384.db2.gz OFGUMPSOBFLUDW-DAXSKMNVSA-N 1 0 352.438 1.869 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]34CCC(=O)N3CCS4)cc2)CC1 ZINC000918882581 884984910 /nfs/dbraw/zinc/98/49/10/884984910.db2.gz MKIWOKIZAFHROM-IBGZPJMESA-N 1 0 374.510 1.120 20 10 FDCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000919404459 885708389 /nfs/dbraw/zinc/70/83/89/885708389.db2.gz MCXXUVQYNYBRPK-ZDUSSCGKSA-N 1 0 351.422 1.831 20 10 FDCDRO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084108775 913451140 /nfs/dbraw/zinc/45/11/40/913451140.db2.gz DFHAYDPHVSTRQK-GDLCADMTSA-N 1 0 351.382 1.372 20 10 FDCDRO Cc1nccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000184767483 898777786 /nfs/dbraw/zinc/77/77/86/898777786.db2.gz OOEVTQZEVIPWRW-UHFFFAOYSA-N 1 0 353.470 1.944 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(CO)CCC3)cc2F)CC1 ZINC000186028825 901943770 /nfs/dbraw/zinc/94/37/70/901943770.db2.gz DPDNEAUSHIZZDQ-UHFFFAOYSA-N 1 0 364.465 1.682 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000764641024 905255826 /nfs/dbraw/zinc/25/58/26/905255826.db2.gz RYXBIVBQJBVCBK-GOSISDBHSA-N 1 0 363.502 1.731 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000764679718 905360328 /nfs/dbraw/zinc/36/03/28/905360328.db2.gz UULOIMLUZLWAGR-SFHVURJKSA-N 1 0 351.516 1.447 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)cc1 ZINC000785434893 907390477 /nfs/dbraw/zinc/39/04/77/907390477.db2.gz WOIYCJOHIPXKDD-OAHLLOKOSA-N 1 0 355.442 1.118 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C)cc1C ZINC001082576335 908743650 /nfs/dbraw/zinc/74/36/50/908743650.db2.gz CAISJKXBJKCHSY-DJIMGWMZSA-N 1 0 359.470 1.466 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2COCCO2)cc1C ZINC001085139183 921685395 /nfs/dbraw/zinc/68/53/95/921685395.db2.gz DFVUUFIACGZNTL-LMMKCTJWSA-N 1 0 362.470 1.936 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CN(C)C(=O)OC)cc2F)CC1 ZINC000730194244 916306459 /nfs/dbraw/zinc/30/64/59/916306459.db2.gz CNWADPNSUQXJNC-UHFFFAOYSA-N 1 0 366.437 1.282 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000734687328 923589938 /nfs/dbraw/zinc/58/99/38/923589938.db2.gz UYUBXYXEQGTNQO-RBUKOAKNSA-N 1 0 360.502 1.802 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)CN2CC[NH+](CC)CC2)cc1F ZINC000742252608 925990424 /nfs/dbraw/zinc/99/04/24/925990424.db2.gz IXCJFUGHANGYDR-UHFFFAOYSA-N 1 0 350.482 1.926 20 10 FDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742392858 926039097 /nfs/dbraw/zinc/03/90/97/926039097.db2.gz UBGFJHZOKZBQGK-BEFAXECRSA-N 1 0 369.469 1.540 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CC[N@H+](C)C[C@H]3C(C)C)CC2)cc1 ZINC000746462179 928056008 /nfs/dbraw/zinc/05/60/08/928056008.db2.gz MFBQMKXKVWODNL-FQEVSTJZSA-N 1 0 374.529 1.616 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C)C[C@@H]1C(C)C)cc2=O ZINC000746461984 928056398 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C[N@H+](CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000793939468 938347831 /nfs/dbraw/zinc/34/78/31/938347831.db2.gz WCCGQNQDNFXATM-UHFFFAOYSA-N 1 0 371.437 1.724 20 10 FDCDRO COc1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794376613 938394969 /nfs/dbraw/zinc/39/49/69/938394969.db2.gz GUQQBIICMYVXLL-FQEVSTJZSA-N 1 0 356.422 1.654 20 10 FDCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804731935 938557571 /nfs/dbraw/zinc/55/75/71/938557571.db2.gz ZDNDFTDENNBMHP-ZDUSSCGKSA-N 1 0 368.528 1.342 20 10 FDCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806277966 939876508 /nfs/dbraw/zinc/87/65/08/939876508.db2.gz KKOSYDZNIOVZOX-ZDUSSCGKSA-N 1 0 370.544 1.542 20 10 FDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000806280509 939879811 /nfs/dbraw/zinc/87/98/11/939879811.db2.gz PPJDKNKWIZHPJM-WCQYABFASA-N 1 0 368.528 1.340 20 10 FDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000806494321 939944055 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COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000817895133 943068954 /nfs/dbraw/zinc/06/89/54/943068954.db2.gz RCLOXUQZSQLNRK-LEWJYISDSA-N 1 0 374.529 1.174 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000817915658 943075432 /nfs/dbraw/zinc/07/54/32/943075432.db2.gz ODPHWZFAWNHXOB-RHSMWYFYSA-N 1 0 371.437 1.710 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000817919857 943077565 /nfs/dbraw/zinc/07/75/65/943077565.db2.gz ZXKAPAYGQKCQNP-QXAKKESOSA-N 1 0 372.513 1.687 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000817920601 943077999 /nfs/dbraw/zinc/07/79/99/943077999.db2.gz QOUKTWNKYMLPNI-OAQYLSRUSA-N 1 0 372.513 1.833 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000817922066 943079622 /nfs/dbraw/zinc/07/96/22/943079622.db2.gz PFBWNVXWCXVGDF-NRFANRHFSA-N 1 0 372.513 1.703 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1 ZINC000817926328 943082884 /nfs/dbraw/zinc/08/28/84/943082884.db2.gz FQCYMSVGGZVYTE-VQIMIIECSA-N 1 0 370.497 1.454 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000817932364 943084184 /nfs/dbraw/zinc/08/41/84/943084184.db2.gz VXECRYMCGAVUPB-UHFFFAOYSA-N 1 0 362.518 1.933 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)cc1 ZINC000817995967 943099419 /nfs/dbraw/zinc/09/94/19/943099419.db2.gz LHFCRZOGWZNRAT-GOSISDBHSA-N 1 0 369.469 1.779 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)cc2)CC1 ZINC000818000192 943102903 /nfs/dbraw/zinc/10/29/03/943102903.db2.gz JUYODGBCRPZMOB-KXBFYZLASA-N 1 0 358.486 1.359 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3ccoc3C)CC2)cc1 ZINC000818970755 943386554 /nfs/dbraw/zinc/38/65/54/943386554.db2.gz PYBYYQKZDMNUHV-LJQANCHMSA-N 1 0 359.470 1.869 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000819149520 943442050 /nfs/dbraw/zinc/44/20/50/943442050.db2.gz KOKKIFRPBBHBAP-MJGOQNOKSA-N 1 0 365.543 1.663 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000819149519 943442139 /nfs/dbraw/zinc/44/21/39/943442139.db2.gz KOKKIFRPBBHBAP-IEBWSBKVSA-N 1 0 365.543 1.663 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cncc(C)c3)CC2)cc1 ZINC000819195294 943470373 /nfs/dbraw/zinc/47/03/73/943470373.db2.gz ZMKMLAFHXRNLCV-HXUWFJFHSA-N 1 0 370.497 1.671 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000819311131 943506585 /nfs/dbraw/zinc/50/65/85/943506585.db2.gz AOBFMJRJDUANSW-LJQANCHMSA-N 1 0 361.486 1.114 20 10 FDCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](O)CN1CCOCC1 ZINC000824850352 946808568 /nfs/dbraw/zinc/80/85/68/946808568.db2.gz MHPAIKCFQGYHCR-AWEZNQCLSA-N 1 0 359.264 1.280 20 10 FDCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1)C(F)(F)F ZINC000824827102 946826112 /nfs/dbraw/zinc/82/61/12/946826112.db2.gz ALZXTMKFSACDDA-CMPLNLGQSA-N 1 0 372.343 1.964 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H](O)c1c[nH]cn1 ZINC000867152872 971418890 /nfs/dbraw/zinc/41/88/90/971418890.db2.gz TYVIWLRNFNSLRV-LJQANCHMSA-N 1 0 369.469 1.292 20 10 FDCDRO CCCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000844218437 947845966 /nfs/dbraw/zinc/84/59/66/947845966.db2.gz AHEOSEGQKRCALM-SFHVURJKSA-N 1 0 360.502 1.418 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000844400615 948030194 /nfs/dbraw/zinc/03/01/94/948030194.db2.gz DFAYDNYOCBONGC-LJQANCHMSA-N 1 0 361.486 1.843 20 10 FDCDRO COc1ccc2ccc(O)c(CN3CCN(CC[NH+](C)C)C(=O)C3)c2c1 ZINC000844715162 948322896 /nfs/dbraw/zinc/32/28/96/948322896.db2.gz UMPVVNAHXVUIHN-UHFFFAOYSA-N 1 0 357.454 1.760 20 10 FDCDRO O=C1N[C@@H](CCF)C(=O)N1Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000844722842 948331814 /nfs/dbraw/zinc/33/18/14/948331814.db2.gz OZLHDTMQHDDLDH-SFHVURJKSA-N 1 0 374.460 1.999 20 10 FDCDRO CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000775696197 971546767 /nfs/dbraw/zinc/54/67/67/971546767.db2.gz INGVXCADPRSGDD-MRXNPFEDSA-N 1 0 353.532 1.693 20 10 FDCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC12COC2 ZINC001144520216 949762388 /nfs/dbraw/zinc/76/23/88/949762388.db2.gz MDRVDMUQDZPMKF-HNNXBMFYSA-N 1 0 366.414 1.529 20 10 FDCDRO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)CN1C(=O)CSC1=S ZINC001144853245 951226019 /nfs/dbraw/zinc/22/60/19/951226019.db2.gz SVNPOERFNIJJTI-UHFFFAOYSA-N 1 0 350.469 1.331 20 10 FDCDRO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846674646 951439661 /nfs/dbraw/zinc/43/96/61/951439661.db2.gz RNGQVLYMZOVLGK-CJNGLKHVSA-N 1 0 370.444 1.652 20 10 FDCDRO COC(=O)COc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000846663398 951446843 /nfs/dbraw/zinc/44/68/43/951446843.db2.gz HTRPIGJGEBUAIZ-GOSISDBHSA-N 1 0 371.437 1.734 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000846726612 951493141 /nfs/dbraw/zinc/49/31/41/951493141.db2.gz GVSGHQZGDWJCRO-HNNXBMFYSA-N 1 0 364.490 1.046 20 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961502449 /nfs/dbraw/zinc/50/24/49/961502449.db2.gz NGHPEOTUDPIRFD-UHFFFAOYSA-N 1 0 356.426 1.816 20 10 FDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000774479583 962232943 /nfs/dbraw/zinc/23/29/43/962232943.db2.gz PUCDBOKWLFDALH-GRDNDAEWSA-N 1 0 367.515 1.437 20 10 FDCDRO O=S(=O)(NC1CC[NH+](Cc2ccccc2O)CC1)c1nccs1 ZINC001187918675 965902883 /nfs/dbraw/zinc/90/28/83/965902883.db2.gz KWSFXLDMDLZEMZ-UHFFFAOYSA-N 1 0 353.469 1.792 20 10 FDCDRO O=C(NCCCSc1nccs1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000852841327 967649405 /nfs/dbraw/zinc/64/94/05/967649405.db2.gz YZIAUVKCHCELJH-LBPRGKRZSA-N 1 0 366.516 1.961 20 10 FDCDRO CCN(C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775369708 967683846 /nfs/dbraw/zinc/68/38/46/967683846.db2.gz FUDGXZAKUUYPJV-CHWSQXEVSA-N 1 0 370.471 1.087 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000775371395 967713679 /nfs/dbraw/zinc/71/36/79/967713679.db2.gz XLXSPOVJSIEWEA-ZDUSSCGKSA-N 1 0 350.415 1.417 20 10 FDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122928 967845780 /nfs/dbraw/zinc/84/57/80/967845780.db2.gz VZCMHQMMIHKXDO-KXBFYZLASA-N 1 0 352.475 1.150 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000853748648 968290500 /nfs/dbraw/zinc/29/05/00/968290500.db2.gz IIHDKAWXEYCABU-UHFFFAOYSA-N 1 0 363.506 1.222 20 10 FDCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776957 968307089 /nfs/dbraw/zinc/30/70/89/968307089.db2.gz XVRGBYROIXETHL-UHFFFAOYSA-N 1 0 373.501 1.224 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)NCCNc3cc[nH+]cc3)C2)cc1 ZINC000854301094 968748075 /nfs/dbraw/zinc/74/80/75/968748075.db2.gz IDWPYZCVZYSSRR-INIZCTEOSA-N 1 0 355.442 1.502 20 10 FDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC001192272092 969035227 /nfs/dbraw/zinc/03/52/27/969035227.db2.gz OFXBDGKUDCRCEI-QGZVFWFLSA-N 1 0 353.488 1.165 20 10 FDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O ZINC000775517932 969038993 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COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000847660834 975952742 /nfs/dbraw/zinc/95/27/42/975952742.db2.gz CJLXYOONQIILAG-GFCCVEGCSA-N 1 0 354.834 1.889 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848411530 976722472 /nfs/dbraw/zinc/72/24/72/976722472.db2.gz RCBYDJMNJGBLHE-FPOVZHCZSA-N 1 0 357.498 1.901 20 10 FDCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC000848553504 976901040 /nfs/dbraw/zinc/90/10/40/976901040.db2.gz UGSBMHKSARAKLS-MWLCHTKSSA-N 1 0 371.235 1.467 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1F ZINC000848597334 976933765 /nfs/dbraw/zinc/93/37/65/976933765.db2.gz KKHKVLOSMLLFRS-CYBMUJFWSA-N 1 0 364.343 1.556 20 10 FDCDRO CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000868049693 977236501 /nfs/dbraw/zinc/23/65/01/977236501.db2.gz RMJNOXGWNQPVCO-LFAOLKIESA-N 1 0 350.422 1.619 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)ccc21 ZINC000848931732 977246647 /nfs/dbraw/zinc/24/66/47/977246647.db2.gz GXRAIQCYMUWUOE-WOVMCDHWSA-N 1 0 358.486 1.142 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cc2)C1 ZINC000849017224 977291415 /nfs/dbraw/zinc/29/14/15/977291415.db2.gz NKQVWFMAXGOEIU-DOTOQJQBSA-N 1 0 359.474 1.181 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C1 ZINC000849070191 977301820 /nfs/dbraw/zinc/30/18/20/977301820.db2.gz HNHMNEXEVZSRMD-HNNXBMFYSA-N 1 0 352.442 1.920 20 10 FDCDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299659 977469519 /nfs/dbraw/zinc/46/95/19/977469519.db2.gz LBIYKEKIXQJEDD-GOSISDBHSA-N 1 0 367.405 1.534 20 10 FDCDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000849565356 977760408 /nfs/dbraw/zinc/76/04/08/977760408.db2.gz TUBHZMIPOCCHAZ-CVEARBPZSA-N 1 0 358.442 1.226 20 10 FDCDRO CCC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000850520026 978415131 /nfs/dbraw/zinc/41/51/31/978415131.db2.gz UIOQWIKKZGLLMT-INIZCTEOSA-N 1 0 369.531 1.925 20 10 FDCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000851630146 978978571 /nfs/dbraw/zinc/97/85/71/978978571.db2.gz GZHOADSPAOXTEW-ZQIUZPCESA-N 1 0 367.465 1.808 20 10 FDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000851655583 978986292 /nfs/dbraw/zinc/98/62/92/978986292.db2.gz XEMBVZSOPKUDBS-GFCCVEGCSA-N 1 0 374.407 1.949 20 10 FDCDRO Nc1ccc(CCNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000851662168 978988547 /nfs/dbraw/zinc/98/85/47/978988547.db2.gz BBCLAJCZJGVVFS-HXUWFJFHSA-N 1 0 368.481 1.877 20 10 FDCDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000851682756 978995940 /nfs/dbraw/zinc/99/59/40/978995940.db2.gz XAHUEAOTJBDSMW-UWJYYQICSA-N 1 0 372.513 1.918 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1F ZINC000851687164 978998592 /nfs/dbraw/zinc/99/85/92/978998592.db2.gz YSNDDFJJVAWILH-UHFFFAOYSA-N 1 0 364.465 1.676 20 10 FDCDRO C[C@@H]([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000851898305 979173282 /nfs/dbraw/zinc/17/32/82/979173282.db2.gz UZGSKFYGLSQFBU-IERDGZPVSA-N 1 0 369.465 1.547 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H]3C(F)(F)F)CC2)cc1 ZINC000852058907 979313781 /nfs/dbraw/zinc/31/37/81/979313781.db2.gz PVUDRVMWOAUETD-WBVHZDCISA-N 1 0 373.419 1.815 20 10 FDCDRO C[NH+]1CCN(c2ccc(C[N@H+](CCC(=O)[O-])C3CCOCC3)cc2)CC1 ZINC000843041731 979329832 /nfs/dbraw/zinc/32/98/32/979329832.db2.gz VHAXNTGZUHWIPC-UHFFFAOYSA-N 1 0 361.486 1.894 20 10 FDCDRO CN(C)c1ccc(CNC(=O)Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)cc1 ZINC000881093578 979654762 /nfs/dbraw/zinc/65/47/62/979654762.db2.gz BQFXDCAMIRCNFW-FQEVSTJZSA-N 1 0 364.453 1.709 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4n[nH]nc4c3)cc2)CC1 ZINC000881849160 980209695 /nfs/dbraw/zinc/20/96/95/980209695.db2.gz JUBVLAJXBKWCSN-UHFFFAOYSA-N 1 0 350.426 1.640 20 10 FDCDRO CC(C)CN1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000881849290 980210061 /nfs/dbraw/zinc/21/00/61/980210061.db2.gz DIRWLQRTRKDFLU-GOSISDBHSA-N 1 0 372.513 1.559 20 10 FDCDRO Cc1occc1C(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849812 980211070 /nfs/dbraw/zinc/21/10/70/980211070.db2.gz KBSOASZAUBHIPD-UHFFFAOYSA-N 1 0 370.453 1.386 20 10 FDCDRO CCCNC(=O)CCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851505 980213106 /nfs/dbraw/zinc/21/31/06/980213106.db2.gz LLLXAAVSIIMEJL-UHFFFAOYSA-N 1 0 360.502 1.751 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)CC1 ZINC000881854563 980220404 /nfs/dbraw/zinc/22/04/04/980220404.db2.gz GUMIPTMMNZFNGF-UHFFFAOYSA-N 1 0 350.426 1.411 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)cc2)CC1 ZINC000882662188 980801963 /nfs/dbraw/zinc/80/19/63/980801963.db2.gz BSPBFWIZGOHONQ-UHFFFAOYSA-N 1 0 365.421 1.810 20 10 FDCDRO COCC[C@@H](C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662130 980802007 /nfs/dbraw/zinc/80/20/07/980802007.db2.gz AXHHTVPQGIUIAA-OAHLLOKOSA-N 1 0 355.504 1.283 20 10 FDCDRO Cc1ncc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000882663307 980803161 /nfs/dbraw/zinc/80/31/61/980803161.db2.gz URYNLFCOXNFRJW-UHFFFAOYSA-N 1 0 366.512 1.682 20 10 FDCDRO Cc1ccc(N)cc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882663918 980803744 /nfs/dbraw/zinc/80/37/44/980803744.db2.gz ZWIGMEPDKKHTKJ-UHFFFAOYSA-N 1 0 374.510 1.808 20 10 FDCDRO CNS(=O)(=O)c1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882879694 981770685 /nfs/dbraw/zinc/77/06/85/981770685.db2.gz IDQCSWTTWRSJPP-UHFFFAOYSA-N 1 0 374.510 1.959 20 10 FDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000858155266 981871215 /nfs/dbraw/zinc/87/12/15/981871215.db2.gz GAZLLPHAWKLZKR-SUMWQHHRSA-N 1 0 374.453 1.857 20 10 FDCDRO C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883146631 981978907 /nfs/dbraw/zinc/97/89/07/981978907.db2.gz SZBDMMBXABYOJN-BBRMVZONSA-N 1 0 355.442 1.875 20 10 FDCDRO C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])(N2CCOCC2)CC1 ZINC000883145627 981979344 /nfs/dbraw/zinc/97/93/44/981979344.db2.gz IGDYBPKHJHGCFQ-UHFFFAOYSA-N 1 0 355.429 1.557 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)C3CCSCC3)cc2)CC1 ZINC000883146801 981979970 /nfs/dbraw/zinc/97/99/70/981979970.db2.gz ZWPJJCXKBHHDFM-UHFFFAOYSA-N 1 0 361.511 1.767 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCCO1 ZINC000858364559 982007662 /nfs/dbraw/zinc/00/76/62/982007662.db2.gz GNIIJYOTTUVYGC-QAPCUYQASA-N 1 0 352.500 1.969 20 10 FDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489894 982076380 /nfs/dbraw/zinc/07/63/80/982076380.db2.gz OOKGOBYJNJVTBX-OLZOCXBDSA-N 1 0 354.414 1.768 20 10 FDCDRO CS[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883442454 982148335 /nfs/dbraw/zinc/14/83/35/982148335.db2.gz LRHRILCZJDLVRN-WMLDXEAASA-N 1 0 366.531 1.350 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3CCO)cc2)CC1 ZINC000883634151 982330030 /nfs/dbraw/zinc/33/00/30/982330030.db2.gz ODLPDFSSMAJGBB-PKOBYXMFSA-N 1 0 360.502 1.789 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]3CCO)cc2)CC1 ZINC000883634148 982330094 /nfs/dbraw/zinc/33/00/94/982330094.db2.gz ODLPDFSSMAJGBB-HKUYNNGSSA-N 1 0 360.502 1.789 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(OC)n3)cc2F)CC1 ZINC000859262258 982657362 /nfs/dbraw/zinc/65/73/62/982657362.db2.gz VXUOLNROUQRXKS-UHFFFAOYSA-N 1 0 362.405 1.894 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000800148960 982768021 /nfs/dbraw/zinc/76/80/21/982768021.db2.gz MHCUWCXSESUAOC-UHFFFAOYSA-N 1 0 356.444 1.797 20 10 FDCDRO C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000133944259 982966330 /nfs/dbraw/zinc/96/63/30/982966330.db2.gz ORRIODWLNDFAHQ-QAPCUYQASA-N 1 0 362.474 1.042 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC000796539642 1014908778 /nfs/dbraw/zinc/90/87/78/1014908778.db2.gz NBDADHQVWDZWKT-QGZVFWFLSA-N 1 0 369.456 1.909 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000884334707 983092975 /nfs/dbraw/zinc/09/29/75/983092975.db2.gz ZANDJTHTVGWYJI-GOSISDBHSA-N 1 0 358.486 1.217 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000861766707 983909018 /nfs/dbraw/zinc/90/90/18/983909018.db2.gz ITZMJDAIYQEXFY-SWLSCSKDSA-N 1 0 350.438 1.155 20 10 FDCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000862792660 984536951 /nfs/dbraw/zinc/53/69/51/984536951.db2.gz BRTJCYFRFZALLE-LBPRGKRZSA-N 1 0 355.460 1.225 20 10 FDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868966379 984729329 /nfs/dbraw/zinc/72/93/29/984729329.db2.gz OFEDERQUZGYPPR-UHFFFAOYSA-N 1 0 374.441 1.356 20 10 FDCDRO O=S(=O)(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000923620908 986122999 /nfs/dbraw/zinc/12/29/99/986122999.db2.gz GWFJLXPZGSRZNH-NSHDSACASA-N 1 0 361.414 1.148 20 10 FDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000886743275 986537242 /nfs/dbraw/zinc/53/72/42/986537242.db2.gz ZIJMGNRNMGAMQT-CYBMUJFWSA-N 1 0 352.866 1.852 20 10 FDCDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886746805 986542932 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CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000181558251 525874023 /nfs/dbraw/zinc/87/40/23/525874023.db2.gz QXNPNXZKZJEVLD-QGZVFWFLSA-N 1 0 353.488 1.037 20 10 FDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171714918 526089872 /nfs/dbraw/zinc/08/98/72/526089872.db2.gz XJBXDQIGSHQNFH-QGZVFWFLSA-N 1 0 359.518 1.722 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000182237704 526106751 /nfs/dbraw/zinc/10/67/51/526106751.db2.gz LSCALDKTFOFIHU-MRXNPFEDSA-N 1 0 369.531 1.230 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(F)(F)CO)cc2F)CC1 ZINC000184871208 536188943 /nfs/dbraw/zinc/18/89/43/536188943.db2.gz VPKSOKWAZXSTMC-UHFFFAOYSA-N 1 0 374.407 1.394 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186838548 536245859 /nfs/dbraw/zinc/24/58/59/536245859.db2.gz YBWTYVBZNKOCIA-UHFFFAOYSA-N 1 0 363.527 1.967 20 10 FDCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285789520 537284376 /nfs/dbraw/zinc/28/43/76/537284376.db2.gz FJFRLNYWEIYGRO-YLJYHZDGSA-N 1 0 374.529 1.506 20 10 FDCDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272557802 537299560 /nfs/dbraw/zinc/29/95/60/537299560.db2.gz ZPISQCMCWNPCLZ-HWKANZROSA-N 1 0 359.470 1.786 20 10 FDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCS(=O)(=O)CC1 ZINC000271296849 537419037 /nfs/dbraw/zinc/41/90/37/537419037.db2.gz NXIBKCQCXZPGLD-UHFFFAOYSA-N 1 0 352.500 1.780 20 10 FDCDRO CC(C)C[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000299091812 537437804 /nfs/dbraw/zinc/43/78/04/537437804.db2.gz MGRNAWWGRWJUBJ-UHFFFAOYSA-N 1 0 355.460 1.178 20 10 FDCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[N@H+](C)C1CC1 ZINC000287958588 537449427 /nfs/dbraw/zinc/44/94/27/537449427.db2.gz QVDOZCGCPDRJCA-OAHLLOKOSA-N 1 0 356.470 1.278 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000275324597 537556479 /nfs/dbraw/zinc/55/64/79/537556479.db2.gz LSMXFAWNUORDSH-OAHLLOKOSA-N 1 0 352.500 1.826 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CC[C@H](O)CC3)CC2)cc1 ZINC000275840555 537581431 /nfs/dbraw/zinc/58/14/31/537581431.db2.gz JVVUNPFFVUFCQU-SAABIXHNSA-N 1 0 361.486 1.579 20 10 FDCDRO CN1CCCc2cc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccc21 ZINC000237188186 537617397 /nfs/dbraw/zinc/61/73/97/537617397.db2.gz RPHCYELNVRDHPI-UHFFFAOYSA-N 1 0 354.458 1.515 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000237270179 537619919 /nfs/dbraw/zinc/61/99/19/537619919.db2.gz SYXOKAGNKABTRL-OAQYLSRUSA-N 1 0 374.529 1.713 20 10 FDCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000289940918 537631200 /nfs/dbraw/zinc/63/12/00/537631200.db2.gz LMYGHZCVYOSQEV-CQSZACIVSA-N 1 0 361.364 1.132 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC000285688727 537746545 /nfs/dbraw/zinc/74/65/45/537746545.db2.gz KJLNPWJRWKBOSW-QZTJIDSGSA-N 1 0 372.513 1.674 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC000285733057 537752426 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LLIPTZFHDNWUDB-VIFPVBQESA-N 1 0 374.426 1.932 20 10 FDCDRO COc1c(O)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000278305178 675119886 /nfs/dbraw/zinc/11/98/86/675119886.db2.gz WIMJHAIAVKYBOH-CYBMUJFWSA-N 1 0 351.403 1.463 20 10 FDCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCN(C)CC1 ZINC000153972280 671911906 /nfs/dbraw/zinc/91/19/06/671911906.db2.gz YDLYBHQULNLSNT-AWEZNQCLSA-N 1 0 371.576 1.808 20 10 FDCDRO O=c1cc(CN2CC[NH+](Cc3ccccc3O)CC2)nc2sccn21 ZINC000179554486 672162401 /nfs/dbraw/zinc/16/24/01/672162401.db2.gz CCQIROGNLGSHHW-UHFFFAOYSA-N 1 0 356.451 1.779 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000185411277 672259802 /nfs/dbraw/zinc/25/98/02/672259802.db2.gz RUEDNMLYWUHUSS-ZDUSSCGKSA-N 1 0 356.488 1.560 20 10 FDCDRO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000187836673 672287311 /nfs/dbraw/zinc/28/73/11/672287311.db2.gz ZVEQGJOEIMEANH-AWEZNQCLSA-N 1 0 353.488 1.065 20 10 FDCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000364287562 677005084 /nfs/dbraw/zinc/00/50/84/677005084.db2.gz FAEYIBHJFSZUEN-ZIAGYGMSSA-N 1 0 353.415 1.952 20 10 FDCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000364287560 677005099 /nfs/dbraw/zinc/00/50/99/677005099.db2.gz FAEYIBHJFSZUEN-KGLIPLIRSA-N 1 0 353.415 1.952 20 10 FDCDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000367699225 677494398 /nfs/dbraw/zinc/49/43/98/677494398.db2.gz GSESQAOGXPYVPX-SFHVURJKSA-N 1 0 367.515 1.379 20 10 FDCDRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000370657831 677602662 /nfs/dbraw/zinc/60/26/62/677602662.db2.gz RMJHOCWIBHHLKA-OAHLLOKOSA-N 1 0 372.487 1.273 20 10 FDCDRO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000372763673 677973273 /nfs/dbraw/zinc/97/32/73/677973273.db2.gz GPGXZKINXVFBST-INIZCTEOSA-N 1 0 365.861 1.605 20 10 FDCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000376805174 678384184 /nfs/dbraw/zinc/38/41/84/678384184.db2.gz TVLXKYDTSLWFFQ-OAHLLOKOSA-N 1 0 367.515 1.535 20 10 FDCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000377659501 678584658 /nfs/dbraw/zinc/58/46/58/678584658.db2.gz ZYDRCDNXNCLXNR-CQSZACIVSA-N 1 0 367.471 1.464 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1F ZINC000378147074 678704492 /nfs/dbraw/zinc/70/44/92/678704492.db2.gz FGNIOXMIADFJBY-IBGZPJMESA-N 1 0 351.466 1.863 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275738893 773465299 /nfs/dbraw/zinc/46/52/99/773465299.db2.gz VFPGQXDYTXLFCO-OAHLLOKOSA-N 1 0 355.442 1.913 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C3CC3)C2=O)[NH+](C)C)cc1 ZINC000891243511 774058001 /nfs/dbraw/zinc/05/80/01/774058001.db2.gz PCTQYOAZWNJNSD-OALUTQOASA-N 1 0 372.513 1.873 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)[NH+](C)C)cc1 ZINC000891247227 774093162 /nfs/dbraw/zinc/09/31/62/774093162.db2.gz RTKAUQQVFAVFDA-SJLPKXTDSA-N 1 0 370.501 1.716 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCn3cncc3C2)[NH+](C)C)cc1 ZINC000891247504 774093783 /nfs/dbraw/zinc/09/37/83/774093783.db2.gz HVTVKGFRTGPPNT-LPHOPBHVSA-N 1 0 355.486 1.931 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/CN2CCOCC2)[NH+](C)C)cc1 ZINC000891248365 774096297 /nfs/dbraw/zinc/09/62/97/774096297.db2.gz LTPABYCFQJUUAR-UEKDZROGSA-N 1 0 360.502 1.360 20 10 FDCDRO COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000891248480 774097473 /nfs/dbraw/zinc/09/74/73/774097473.db2.gz NFSRHNYQNGXMGJ-QGZVFWFLSA-N 1 0 358.442 1.900 20 10 FDCDRO COC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000891248018 774099696 /nfs/dbraw/zinc/09/96/96/774099696.db2.gz JYHGDASNJOTMRN-HNNXBMFYSA-N 1 0 360.414 1.560 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3cccnn32)[NH+](C)C)cc1 ZINC000891249588 774109263 /nfs/dbraw/zinc/10/92/63/774109263.db2.gz ROCDMNKVYYWURI-MRXNPFEDSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)[NH+](C)C)cc1 ZINC000891249620 774110045 /nfs/dbraw/zinc/11/00/45/774110045.db2.gz VCCQPHAWWOPQKG-MRXNPFEDSA-N 1 0 368.441 1.534 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891250512 774115465 /nfs/dbraw/zinc/11/54/65/774115465.db2.gz ASDONACWAWGEND-GOSISDBHSA-N 1 0 369.469 1.297 20 10 FDCDRO CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N1CCCC1=O ZINC000891254179 774150513 /nfs/dbraw/zinc/15/05/13/774150513.db2.gz XBHGEHQXGNCUPB-MSOLQXFVSA-N 1 0 360.502 1.873 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000891384736 776454534 /nfs/dbraw/zinc/45/45/34/776454534.db2.gz JSUURWONEWAOFW-HNNXBMFYSA-N 1 0 350.438 1.556 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025981 780625555 /nfs/dbraw/zinc/62/55/55/780625555.db2.gz IMYXLKUCWQCGND-IJEWVQPXSA-N 1 0 365.449 1.122 20 10 FDCDRO COc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c(O)c1OC ZINC000892078699 781460473 /nfs/dbraw/zinc/46/04/73/781460473.db2.gz RMRINEREJIZZHC-UHFFFAOYSA-N 1 0 371.437 1.831 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)c(OC)c1 ZINC000892452941 784435940 /nfs/dbraw/zinc/43/59/40/784435940.db2.gz GEYZJOCFABPKID-UHFFFAOYSA-N 1 0 374.485 1.902 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cnc4ccnn4c3)cc2)CC1 ZINC000888928758 805726050 /nfs/dbraw/zinc/72/60/50/805726050.db2.gz AODJDOGGFIYQFY-UHFFFAOYSA-N 1 0 365.441 1.803 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC3(OC)OC)CC2)cc1 ZINC000924579909 787818658 /nfs/dbraw/zinc/81/86/58/787818658.db2.gz NJQLTEWUECQMHJ-IBGZPJMESA-N 1 0 363.502 1.948 20 10 FDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)c(O)c1OC ZINC000892879447 791548725 /nfs/dbraw/zinc/54/87/25/791548725.db2.gz KMGPZELQHIJUSC-UHFFFAOYSA-N 1 0 358.460 1.219 20 10 FDCDRO CN(C(=O)Cc1ccc(N)cc1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000378204394 793704596 /nfs/dbraw/zinc/70/45/96/793704596.db2.gz UXXYKIWLHWKMGN-UHFFFAOYSA-N 1 0 358.486 1.357 20 10 FDCDRO COc1cc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000662628627 806901885 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FDCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(O)c1OC ZINC000894426977 818041604 /nfs/dbraw/zinc/04/16/04/818041604.db2.gz DGHISZTYAQETMN-CYBMUJFWSA-N 1 0 358.460 1.313 20 10 FDCDRO COc1ccc(-n2nnnc2C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC001168005830 820325641 /nfs/dbraw/zinc/32/56/41/820325641.db2.gz DXYHVOOEAWNTPR-DLBZAZTESA-N 1 0 370.457 1.313 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC000895259775 822323670 /nfs/dbraw/zinc/32/36/70/822323670.db2.gz FYZBXZIIWASXGN-UXLLHSPISA-N 1 0 361.490 1.309 20 10 FDCDRO COC(=O)/C(C)=C/CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896605494 824713262 /nfs/dbraw/zinc/71/32/62/824713262.db2.gz WIHSNRCSSIUQKL-WKOYGUFESA-N 1 0 362.474 1.774 20 10 FDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000841710397 835054622 /nfs/dbraw/zinc/05/46/22/835054622.db2.gz UAVTVMAQSDPONZ-UHFFFAOYSA-N 1 0 374.407 1.951 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000841722329 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FDCDRO CCCCN(CC)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327650 840948711 /nfs/dbraw/zinc/94/87/11/840948711.db2.gz QQNAUZFHKPDGGF-UHFFFAOYSA-N 1 0 360.502 1.703 20 10 FDCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000898354730 840989677 /nfs/dbraw/zinc/98/96/77/840989677.db2.gz UDODFYKYYNJCPC-DGCLKSJQSA-N 1 0 358.822 1.593 20 10 FDCDRO COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1(F)F ZINC000898449713 844697320 /nfs/dbraw/zinc/69/73/20/844697320.db2.gz JJVUZWQOCYOOKH-XHSDSOJGSA-N 1 0 355.429 1.999 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000842154608 845035754 /nfs/dbraw/zinc/03/57/54/845035754.db2.gz UZIDRZIHYLXBAP-JQHSSLGASA-N 1 0 358.486 1.263 20 10 FDCDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C12CCC2 ZINC000898842883 845334168 /nfs/dbraw/zinc/33/41/68/845334168.db2.gz YCNCJBYYVQGSOB-LSDHHAIUSA-N 1 0 367.471 1.366 20 10 FDCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 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XMKIKPVCJODTJQ-BMGDILEWSA-N 1 0 364.490 1.147 20 10 FDCDRO CC(C)[C@@H](CO)ONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899099082 845793831 /nfs/dbraw/zinc/79/38/31/845793831.db2.gz VELQUTSMZMHLSC-DLBZAZTESA-N 1 0 352.479 1.603 20 10 FDCDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899156607 845876505 /nfs/dbraw/zinc/87/65/05/845876505.db2.gz URJPFUMTJVZYFU-NSHDSACASA-N 1 0 350.440 1.888 20 10 FDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473811 846278934 /nfs/dbraw/zinc/27/89/34/846278934.db2.gz ZJZISJBZTIEQOJ-UHFFFAOYSA-N 1 0 360.502 1.736 20 10 FDCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2F)C[C@H](C)O1 ZINC000905054580 851614686 /nfs/dbraw/zinc/61/46/86/851614686.db2.gz JPNGIDSIPBXSRC-QWQRMKEZSA-N 1 0 352.450 1.805 20 10 FDCDRO Cc1cc(CNC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000905527812 852020632 /nfs/dbraw/zinc/02/06/32/852020632.db2.gz ADPJTGWQIMZVOV-UHFFFAOYSA-N 1 0 359.499 1.899 20 10 FDCDRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cccc(Cl)c2O)CC1 ZINC000908327904 855339641 /nfs/dbraw/zinc/33/96/41/855339641.db2.gz JRGLKRFKJMYYAO-UHFFFAOYSA-N 1 0 361.895 1.103 20 10 FDCDRO C[C@H]1CCN(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000908459279 855443844 /nfs/dbraw/zinc/44/38/44/855443844.db2.gz DVUMKERWFGTWNY-YOEHRIQHSA-N 1 0 354.520 1.532 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)C[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000908458004 855470197 /nfs/dbraw/zinc/47/01/97/855470197.db2.gz NQCWUJKYDJWTEE-QAPCUYQASA-N 1 0 369.531 1.701 20 10 FDCDRO Cc1cc(CS(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000908458419 855471399 /nfs/dbraw/zinc/47/13/99/855471399.db2.gz UXMNMWHKJNLNIJ-QGZVFWFLSA-N 1 0 366.487 1.771 20 10 FDCDRO Cc1cc(CS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)on1 ZINC000908458489 855471508 /nfs/dbraw/zinc/47/15/08/855471508.db2.gz WRRJJBYNTIZXCL-KRWDZBQOSA-N 1 0 366.487 1.771 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC[C@H]1C[NH3+] ZINC000911053663 858048357 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1.193 20 10 FDCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763933055 900779533 /nfs/dbraw/zinc/77/95/33/900779533.db2.gz XPSDBRJDNRPHQQ-SFHVURJKSA-N 1 0 360.527 1.246 20 10 FDCDRO CC[NH+]1CCN(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000765752650 908721925 /nfs/dbraw/zinc/72/19/25/908721925.db2.gz YIAADKVRJZMIEX-UHFFFAOYSA-N 1 0 356.264 1.408 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]Cc1nccn1C ZINC001082953567 911092520 /nfs/dbraw/zinc/09/25/20/911092520.db2.gz NIXSIPWREYGYBC-IUODEOHRSA-N 1 0 369.429 1.833 20 10 FDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000730280569 916455775 /nfs/dbraw/zinc/45/57/75/916455775.db2.gz VCNONOWESYOILH-WMZOPIPTSA-N 1 0 360.502 1.591 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734275169 923154178 /nfs/dbraw/zinc/15/41/78/923154178.db2.gz VZFVJQZVWDYBDW-GOSISDBHSA-N 1 0 372.513 1.931 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000738317215 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ZINC000807674182 940452010 /nfs/dbraw/zinc/45/20/10/940452010.db2.gz HRZWGEXCXOSZPS-HZPDHXFCSA-N 1 0 360.502 1.778 20 10 FDCDRO CCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000808854558 940640028 /nfs/dbraw/zinc/64/00/28/940640028.db2.gz ZXLRHOSQCDLINA-UHFFFAOYSA-N 1 0 372.513 1.703 20 10 FDCDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000809727880 940887506 /nfs/dbraw/zinc/88/75/06/940887506.db2.gz AXGILXSORDRLAF-UHFFFAOYSA-N 1 0 365.411 1.669 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C(N)=O)CCC3)cc2F)CC1 ZINC000747908585 941567649 /nfs/dbraw/zinc/56/76/49/941567649.db2.gz RKVNOEXAWVIWCF-UHFFFAOYSA-N 1 0 362.449 1.239 20 10 FDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817155189 942593363 /nfs/dbraw/zinc/59/33/63/942593363.db2.gz VVGFGLYTHWKYEI-INIZCTEOSA-N 1 0 364.465 1.898 20 10 FDCDRO C[N@H+](CCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000817705264 942899548 /nfs/dbraw/zinc/89/95/48/942899548.db2.gz CCPSUVFXADMQMI-UHFFFAOYSA-N 1 0 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CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000818000771 943102090 /nfs/dbraw/zinc/10/20/90/943102090.db2.gz VXAGNCJNTLWPAI-IBGZPJMESA-N 1 0 372.513 1.750 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)c3cn(CCCC[NH3+])nn3)C2)cc1 ZINC000818273090 943233237 /nfs/dbraw/zinc/23/32/37/943233237.db2.gz WVFNBXOUJIGLDL-OAHLLOKOSA-N 1 0 372.473 1.282 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)C2)cc1 ZINC000818655787 943320338 /nfs/dbraw/zinc/32/03/38/943320338.db2.gz QRVODBKJDNKINT-WFASDCNBSA-N 1 0 356.417 1.803 20 10 FDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CN1CCOCC1 ZINC000818964053 943345642 /nfs/dbraw/zinc/34/56/42/943345642.db2.gz JHHLSBINAUCHEH-GOSISDBHSA-N 1 0 351.516 1.023 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000818942693 943354138 /nfs/dbraw/zinc/35/41/38/943354138.db2.gz IIKBKDRFMHUKNY-IBGZPJMESA-N 1 0 373.501 1.055 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]C[C@H](O)COC(C)C)CC2)cc1 ZINC000818982462 943370616 /nfs/dbraw/zinc/37/06/16/943370616.db2.gz NCUNDSXVNJFOPG-SFHVURJKSA-N 1 0 351.491 1.193 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCOC(C)(C)C)CC2)cc1 ZINC000818984546 943371308 /nfs/dbraw/zinc/37/13/08/943371308.db2.gz BQPIXWGKXQHINE-SFHVURJKSA-N 1 0 365.518 1.583 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000819077922 943431376 /nfs/dbraw/zinc/43/13/76/943431376.db2.gz RKRSUZVBWPRQHG-QGZVFWFLSA-N 1 0 367.449 1.808 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000819168610 943458683 /nfs/dbraw/zinc/45/86/83/943458683.db2.gz RYJNFDCSYNHFBW-IBGZPJMESA-N 1 0 374.460 1.502 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000819187121 943467085 /nfs/dbraw/zinc/46/70/85/943467085.db2.gz BALPJFSBUMGFOT-LJQANCHMSA-N 1 0 359.514 1.958 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000819326539 943527872 /nfs/dbraw/zinc/52/78/72/943527872.db2.gz QOTZRFNONDDESK-KRWDZBQOSA-N 1 0 369.456 1.813 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436305 944503790 /nfs/dbraw/zinc/50/37/90/944503790.db2.gz MBMQJMDNOSBRRI-RHSMWYFYSA-N 1 0 372.473 1.947 20 10 FDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136557659 944913385 /nfs/dbraw/zinc/91/33/85/944913385.db2.gz MWMWBIDKROLMTF-HNNXBMFYSA-N 1 0 374.445 1.522 20 10 FDCDRO CCOC1CC([N@H+](C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000805819217 945596457 /nfs/dbraw/zinc/59/64/57/945596457.db2.gz PVJVHKXGQRAVGN-UHFFFAOYSA-N 1 0 361.486 1.843 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnn3CC[NH+](C)C)C2)cc1 ZINC000823589806 945841951 /nfs/dbraw/zinc/84/19/51/945841951.db2.gz MRFQQIKNBOGNMW-OAHLLOKOSA-N 1 0 372.473 1.854 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)cc1 ZINC000824372484 946379970 /nfs/dbraw/zinc/37/99/70/946379970.db2.gz DDQAUUGHLSXMRV-MRXNPFEDSA-N 1 0 361.486 1.749 20 10 FDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CC12COC2 ZINC000824489747 946470405 /nfs/dbraw/zinc/47/04/05/946470405.db2.gz RLMBNZHYJPOROV-ZDUSSCGKSA-N 1 0 351.399 1.421 20 10 FDCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000856593645 971241852 /nfs/dbraw/zinc/24/18/52/971241852.db2.gz VQXIQFNLKOJKED-SFHVURJKSA-N 1 0 361.398 1.636 20 10 FDCDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CCN1 ZINC000825147058 946994181 /nfs/dbraw/zinc/99/41/81/946994181.db2.gz AJFQUIWUIBQUTN-FQEVSTJZSA-N 1 0 372.513 1.310 20 10 FDCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143673872 947446736 /nfs/dbraw/zinc/44/67/36/947446736.db2.gz BCLREOSYVZFIFH-BEFAXECRSA-N 1 0 372.421 1.098 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](CO)C3)CC2)cc1 ZINC000856791173 971394179 /nfs/dbraw/zinc/39/41/79/971394179.db2.gz SJQZTKKPIYUOBN-IAGOWNOFSA-N 1 0 361.486 1.294 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000844222964 947853796 /nfs/dbraw/zinc/85/37/96/947853796.db2.gz ONBWRJAQQIREDF-VDGAXYAQSA-N 1 0 372.513 1.403 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000844225500 947861468 /nfs/dbraw/zinc/86/14/68/947861468.db2.gz BTGMARIQPKJRNC-AZUAARDMSA-N 1 0 370.472 1.935 20 10 FDCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000857067611 971558356 /nfs/dbraw/zinc/55/83/56/971558356.db2.gz OPWUEBHNHVUXIR-UHFFFAOYSA-N 1 0 359.401 1.961 20 10 FDCDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000857102236 971581200 /nfs/dbraw/zinc/58/12/00/971581200.db2.gz AGQNSIMFYCOHFA-JXFKEZNVSA-N 1 0 354.454 1.019 20 10 FDCDRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4c(O)cc(O)cc4O)C3)C2=O)cn1 ZINC001144508618 949692221 /nfs/dbraw/zinc/69/22/21/949692221.db2.gz SESHFXMZRIMEMK-LJQANCHMSA-N 1 0 372.425 1.556 20 10 FDCDRO O=C1C[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CN1c1cncnc1 ZINC001144507716 949733006 /nfs/dbraw/zinc/73/30/06/949733006.db2.gz BHBWIGVFCRKFRA-SFHVURJKSA-N 1 0 356.382 1.222 20 10 FDCDRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(O)cc2O)O1)N1CCCO1 ZINC001144508050 949734487 /nfs/dbraw/zinc/73/44/87/949734487.db2.gz HVSMJIIXARNYGL-KBRIMQKVSA-N 1 0 364.398 1.089 20 10 FDCDRO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)cc(O)cc1O)CCO2 ZINC001144508287 949736996 /nfs/dbraw/zinc/73/69/96/949736996.db2.gz LIQUMMPFCLCYSW-LJQANCHMSA-N 1 0 364.442 1.653 20 10 FDCDRO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509172 949784470 /nfs/dbraw/zinc/78/44/70/949784470.db2.gz NNOUODNSOQPYFU-IBGZPJMESA-N 1 0 370.409 1.613 20 10 FDCDRO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]2OCC[C@H]21 ZINC001144509635 949786385 /nfs/dbraw/zinc/78/63/85/949786385.db2.gz GMWBXDTYVKTIMH-SUNYJGFJSA-N 1 0 362.426 1.309 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857244665 971670807 /nfs/dbraw/zinc/67/08/07/971670807.db2.gz JXIVZFVJJVAKFB-UWJYYQICSA-N 1 0 372.513 1.831 20 10 FDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000846156410 950576054 /nfs/dbraw/zinc/57/60/54/950576054.db2.gz FTNXLAMDGDFFQP-RYUDHWBXSA-N 1 0 371.480 1.948 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000846168573 950595472 /nfs/dbraw/zinc/59/54/72/950595472.db2.gz AVZVCKVSJJVRAR-UHFFFAOYSA-N 1 0 363.506 1.068 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000846329216 950934363 /nfs/dbraw/zinc/93/43/63/950934363.db2.gz FBENERHXJHXHKS-INIZCTEOSA-N 1 0 374.529 1.696 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846677117 951440112 /nfs/dbraw/zinc/44/01/12/951440112.db2.gz NEKKHTRZMARXAE-LBPRGKRZSA-N 1 0 354.834 1.937 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000846663395 951446727 /nfs/dbraw/zinc/44/67/27/951446727.db2.gz HPEDWEXBHUCYEB-MAUKXSAKSA-N 1 0 370.453 1.510 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2C)cc1C ZINC001093849307 958973442 /nfs/dbraw/zinc/97/34/42/958973442.db2.gz FBYXIGHRGBOFIB-GDBMZVCRSA-N 1 0 370.453 1.997 20 10 FDCDRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000774429803 962161525 /nfs/dbraw/zinc/16/15/25/962161525.db2.gz HDKQSNSKVDNALQ-UHFFFAOYSA-N 1 0 362.518 1.948 20 10 FDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(I)cc2O)C1 ZINC001206432490 965611332 /nfs/dbraw/zinc/61/13/32/965611332.db2.gz CAMKLPQWHQAFFX-ONGXEEELSA-N 1 0 350.175 1.868 20 10 FDCDRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775256297 966985372 /nfs/dbraw/zinc/98/53/72/966985372.db2.gz WJLLRZPZBQOQNB-QZTJIDSGSA-N 1 0 374.529 1.726 20 10 FDCDRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000775260481 967029258 /nfs/dbraw/zinc/02/92/58/967029258.db2.gz PEJLBLRAHMCPEM-OAHLLOKOSA-N 1 0 373.457 1.181 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(C)c2Br)cc1 ZINC000852792083 967610140 /nfs/dbraw/zinc/61/01/40/967610140.db2.gz RBPOFFRLXOPTFJ-CYBMUJFWSA-N 1 0 366.263 1.678 20 10 FDCDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862858 967668694 /nfs/dbraw/zinc/66/86/94/967668694.db2.gz LINTVYFYVAFCDQ-JKSUJKDBSA-N 1 0 369.412 1.737 20 10 FDCDRO CN(C)c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1F ZINC000852863859 967669129 /nfs/dbraw/zinc/66/91/29/967669129.db2.gz SMFWNFCWSBNNJV-CQSZACIVSA-N 1 0 360.437 1.728 20 10 FDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852883226 967687192 /nfs/dbraw/zinc/68/71/92/967687192.db2.gz VMNFOJIBOXNDQH-DLBZAZTESA-N 1 0 360.458 1.364 20 10 FDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000852883100 967687218 /nfs/dbraw/zinc/68/72/18/967687218.db2.gz AISWSDUOFQCPDI-OLZOCXBDSA-N 1 0 359.430 1.798 20 10 FDCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2)C1 ZINC000775376164 967756169 /nfs/dbraw/zinc/75/61/69/967756169.db2.gz OVZRCMTZWXVRMU-HZPDHXFCSA-N 1 0 365.499 1.055 20 10 FDCDRO C[C@H](CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000853453649 968022086 /nfs/dbraw/zinc/02/20/86/968022086.db2.gz YJSIFAGTZASILA-CQSZACIVSA-N 1 0 352.454 1.802 20 10 FDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853776809 968306801 /nfs/dbraw/zinc/30/68/01/968306801.db2.gz WIDZITRYCGKXFF-HXUWFJFHSA-N 1 0 370.497 1.803 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C2)cc1 ZINC000854300546 968748255 /nfs/dbraw/zinc/74/82/55/968748255.db2.gz VLZLNFRRCNDXJS-AEFFLSMTSA-N 1 0 356.470 1.930 20 10 FDCDRO CCN(CC)c1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642256 973078165 /nfs/dbraw/zinc/07/81/65/973078165.db2.gz MIYXPAYXTTUXOK-UHFFFAOYSA-N 1 0 359.518 1.676 20 10 FDCDRO Oc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCOCC1)C[C@H]1CCCO1 ZINC000863969054 973340108 /nfs/dbraw/zinc/34/01/08/973340108.db2.gz RFHUOULYLBPVKU-QZTJIDSGSA-N 1 0 365.470 1.666 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)nc(N)n3)CC2)cc1 ZINC000865414809 974284988 /nfs/dbraw/zinc/28/49/88/974284988.db2.gz DBVKEKHBTRSDGC-UHFFFAOYSA-N 1 0 357.462 1.395 20 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/nfs/dbraw/zinc/93/58/31/976935831.db2.gz VWWBPZNMSZSSDM-FZMZJTMJSA-N 1 0 360.380 1.710 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC4(CC4(F)F)C3)CC2)cc1 ZINC000848674215 976990357 /nfs/dbraw/zinc/99/03/57/976990357.db2.gz OYCOAOHLFFOMBR-MRXNPFEDSA-N 1 0 367.440 1.519 20 10 FDCDRO CCc1cccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1O ZINC000848899274 977229000 /nfs/dbraw/zinc/22/90/00/977229000.db2.gz MGFPFAGJQNLJCH-AWEZNQCLSA-N 1 0 355.481 1.941 20 10 FDCDRO C[C@H]1C[NH+]=C(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)N1 ZINC000849050495 977292447 /nfs/dbraw/zinc/29/24/47/977292447.db2.gz UNNZCNSWMMRXFM-AWEZNQCLSA-N 1 0 369.448 1.380 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000850519607 978414918 /nfs/dbraw/zinc/41/49/18/978414918.db2.gz OBROKZASUCZGNA-INIZCTEOSA-N 1 0 369.531 1.781 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000850602332 978465600 /nfs/dbraw/zinc/46/56/00/978465600.db2.gz AGRAPWDEBUZGLQ-UHFFFAOYSA-N 1 0 372.513 1.655 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000851666454 978990069 /nfs/dbraw/zinc/99/00/69/978990069.db2.gz HMNNZOAVLRVVJZ-TWMKSMIVSA-N 1 0 358.486 1.961 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000851666806 978990087 /nfs/dbraw/zinc/99/00/87/978990087.db2.gz KOBIFAKYRMWPHH-WFASDCNBSA-N 1 0 354.401 1.570 20 10 FDCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC000851681279 978995227 /nfs/dbraw/zinc/99/52/27/978995227.db2.gz NDQNDDSLCYKHJM-PWIZWCRZSA-N 1 0 372.513 1.917 20 10 FDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C[NH3+] ZINC000851681850 978995643 /nfs/dbraw/zinc/99/56/43/978995643.db2.gz RAKUBFOCPHXOHL-WBVHZDCISA-N 1 0 360.502 1.774 20 10 FDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851715670 979012686 /nfs/dbraw/zinc/01/26/86/979012686.db2.gz ASLMCUPEPQUVNU-OAQYLSRUSA-N 1 0 369.465 1.328 20 10 FDCDRO COC(=O)CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1=O 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20 10 FDCDRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858131561 981850576 /nfs/dbraw/zinc/85/05/76/981850576.db2.gz ZDFLIMOYAZAQQJ-UHFFFAOYSA-N 1 0 368.428 1.201 20 10 FDCDRO COc1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC000883096953 981939922 /nfs/dbraw/zinc/93/99/22/981939922.db2.gz WYCPLWTULCXADU-UHFFFAOYSA-N 1 0 369.469 1.841 20 10 FDCDRO COC(=O)/C=C/c1ccc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612202 982153201 /nfs/dbraw/zinc/15/32/01/982153201.db2.gz ZLXTUTNTAGUVSB-GQCTYLIASA-N 1 0 374.441 1.465 20 10 FDCDRO CC[S@](=O)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883448275 982154560 /nfs/dbraw/zinc/15/45/60/982154560.db2.gz ZKZAPNJIWYBYTR-DEOSSOPVSA-N 1 0 352.504 1.006 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC(C(N)=O)CC3)cc2)CC1 ZINC000883489889 982211136 /nfs/dbraw/zinc/21/11/36/982211136.db2.gz WTVNQEICIGVXDV-UHFFFAOYSA-N 1 0 373.501 1.282 20 10 FDCDRO Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]n1 ZINC000883534733 982251337 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1.824 20 10 FDCDRO C=CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242531 983304165 /nfs/dbraw/zinc/30/41/65/983304165.db2.gz VDHWFMXJUBAZCM-HNNXBMFYSA-N 1 0 365.861 1.771 20 10 FDCDRO C[C@H](NC(=O)N(C)CCOCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000861566781 983780837 /nfs/dbraw/zinc/78/08/37/983780837.db2.gz RHISUHOWSAEDSF-HNNXBMFYSA-N 1 0 350.463 1.201 20 10 FDCDRO C[NH2+]CCOCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000861677543 983818747 /nfs/dbraw/zinc/81/87/47/983818747.db2.gz RTKYQRYMMZUCOF-MRXNPFEDSA-N 1 0 351.447 1.319 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000861766143 983909036 /nfs/dbraw/zinc/90/90/36/983909036.db2.gz BTXNPECRRUXLDP-DZGCQCFKSA-N 1 0 364.465 1.545 20 10 FDCDRO O=C(NCCCO)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862220807 984260914 /nfs/dbraw/zinc/26/09/14/984260914.db2.gz PYGCUPAISYDNAX-UHFFFAOYSA-N 1 0 371.275 1.865 20 10 FDCDRO Cc1ccc(O)c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000862760523 984523665 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FDCDRO CC1CC[NH+](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000284227646 537403400 /nfs/dbraw/zinc/40/34/00/537403400.db2.gz KCASMVZPUSRAHQ-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363004785 537602809 /nfs/dbraw/zinc/60/28/09/537602809.db2.gz JXGYBPBLPWUGNY-SMYWTMEASA-N 1 0 371.481 1.516 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3CC[NH2+]CC3)CC2)cc1 ZINC000237269275 537619401 /nfs/dbraw/zinc/61/94/01/537619401.db2.gz QORZRRVBWJVRAS-UHFFFAOYSA-N 1 0 374.529 1.713 20 10 FDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Br)cc1O ZINC000290106704 537672461 /nfs/dbraw/zinc/67/24/61/537672461.db2.gz IJCOFZYBCXCADM-SECBINFHSA-N 1 0 351.266 1.697 20 10 FDCDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1cccc(O)c1O ZINC000376553620 537850966 /nfs/dbraw/zinc/85/09/66/537850966.db2.gz HGYJMAQUYKBKFE-UHFFFAOYSA-N 1 0 373.457 1.212 20 10 FDCDRO Nc1ccc(NC(=O)C[C@@]2(C(=O)Nc3ccc(N)cc3)CC[NH2+]C2)cc1 ZINC000372220891 537902245 /nfs/dbraw/zinc/90/22/45/537902245.db2.gz CEYMSEMBNAVOPZ-IBGZPJMESA-N 1 0 353.426 1.798 20 10 FDCDRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000372804665 538033704 /nfs/dbraw/zinc/03/37/04/538033704.db2.gz QOXAQSKUTYSFKH-MRXNPFEDSA-N 1 0 370.497 1.531 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000892199913 782169668 /nfs/dbraw/zinc/16/96/68/782169668.db2.gz NUDVCZPJFHKIBL-ZIAGYGMSSA-N 1 0 350.463 1.661 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000564363787 546893751 /nfs/dbraw/zinc/89/37/51/546893751.db2.gz MARIYHWPCGHLKL-UHFFFAOYSA-N 1 0 356.470 1.657 20 10 FDCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CNC(=O)C2)C1 ZINC000580931498 551033836 /nfs/dbraw/zinc/03/38/36/551033836.db2.gz ILWMMDLXTDNCRS-CQSZACIVSA-N 1 0 354.454 1.413 20 10 FDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000271965294 674400513 /nfs/dbraw/zinc/40/05/13/674400513.db2.gz GRCLNFQTIZSWHI-PBHICJAKSA-N 1 0 356.463 1.718 20 10 FDCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000272241014 674424012 /nfs/dbraw/zinc/42/40/12/674424012.db2.gz XKNKHYFWHZNNDF-LBPRGKRZSA-N 1 0 369.487 1.566 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000826210289 608500327 /nfs/dbraw/zinc/50/03/27/608500327.db2.gz LLIPTZFHDNWUDB-SECBINFHSA-N 1 0 374.426 1.932 20 10 FDCDRO COc1cc(N2CC[NH+](C[C@H](O)CSC)CC2)cc(OC)c1OC ZINC000275141689 674609242 /nfs/dbraw/zinc/60/92/42/674609242.db2.gz DRAVOVWNJFWRKC-AWEZNQCLSA-N 1 0 356.488 1.558 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1F ZINC000288124539 675963324 /nfs/dbraw/zinc/96/33/24/675963324.db2.gz YNYYQVPBWDAJPL-UHFFFAOYSA-N 1 0 350.438 1.108 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]c(=S)[nH]3)cc2F)CC1 ZINC000193081491 672363296 /nfs/dbraw/zinc/36/32/96/672363296.db2.gz OGNZYALVAYYXTG-UHFFFAOYSA-N 1 0 363.462 1.909 20 10 FDCDRO CCCCC[N@H+](CCO)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000265529289 672935525 /nfs/dbraw/zinc/93/55/25/672935525.db2.gz URVGYJXPWKAVMR-UHFFFAOYSA-N 1 0 350.419 1.596 20 10 FDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1OC ZINC000278799022 675198516 /nfs/dbraw/zinc/19/85/16/675198516.db2.gz PNAYQWNZFMILKC-AWEZNQCLSA-N 1 0 370.471 1.409 20 10 FDCDRO C[C@@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1O ZINC000367780629 677495700 /nfs/dbraw/zinc/49/57/00/677495700.db2.gz DMDIALJGQMKLNF-CABCVRRESA-N 1 0 369.487 1.084 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@](CC)(CO)C1)cc2=O ZINC000275086730 771281131 /nfs/dbraw/zinc/28/11/31/771281131.db2.gz BDDFCIRFSVJJHQ-SFHVURJKSA-N 1 0 362.430 1.596 20 10 FDCDRO Cc1cnc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000891148039 773425363 /nfs/dbraw/zinc/42/53/63/773425363.db2.gz VXJZGOCKSKSKDV-UHFFFAOYSA-N 1 0 373.482 1.458 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000891246544 774089585 /nfs/dbraw/zinc/08/95/85/774089585.db2.gz OZVBRTGAXCNVME-QGZVFWFLSA-N 1 0 361.490 1.277 20 10 FDCDRO CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246676 774090317 /nfs/dbraw/zinc/09/03/17/774090317.db2.gz DUARUHOHEQSWDX-YTQUADARSA-N 1 0 363.502 1.913 20 10 FDCDRO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247803 774099065 /nfs/dbraw/zinc/09/90/65/774099065.db2.gz VITFIFXTAHCXSJ-WMLDXEAASA-N 1 0 372.469 1.883 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)[NH+](C)C)cc1 ZINC000891248267 774102377 /nfs/dbraw/zinc/10/23/77/774102377.db2.gz XHVGBLSJBGXGCG-MSOLQXFVSA-N 1 0 360.502 1.730 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCN2C(=O)CCC2=O)[NH+](C)C)cc1 ZINC000891252142 774125280 /nfs/dbraw/zinc/12/52/80/774125280.db2.gz GWDBXEPISMZPSJ-MRXNPFEDSA-N 1 0 360.458 1.011 20 10 FDCDRO CC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891255268 774168001 /nfs/dbraw/zinc/16/80/01/774168001.db2.gz OCDWFMRRNCSNFE-HKUYNNGSSA-N 1 0 360.502 1.730 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891384425 776456676 /nfs/dbraw/zinc/45/66/76/776456676.db2.gz HLAUUXIQKBBIDO-WMZOPIPTSA-N 1 0 362.449 1.698 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c(OC)c1 ZINC000892081452 781470319 /nfs/dbraw/zinc/47/03/19/781470319.db2.gz KEHKNWURMJPMPY-HNNXBMFYSA-N 1 0 362.474 1.678 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161374704 783418629 /nfs/dbraw/zinc/41/86/29/783418629.db2.gz UFHQSTFTKGPBQA-UHFFFAOYSA-N 1 0 353.470 1.586 20 10 FDCDRO COc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1OC ZINC000892751273 791052210 /nfs/dbraw/zinc/05/22/10/791052210.db2.gz NFRJYXAVQDYRPR-UHFFFAOYSA-N 1 0 372.469 1.846 20 10 FDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000376165165 786587733 /nfs/dbraw/zinc/58/77/33/786587733.db2.gz HPIKIIVAOVBKGQ-CYBMUJFWSA-N 1 0 356.405 1.975 20 10 FDCDRO C[C@H](CNC(=O)NCc1cccc(Cl)c1O)C[NH+]1CCN(C)CC1 ZINC000893238582 794133165 /nfs/dbraw/zinc/13/31/65/794133165.db2.gz UQNZJTWJBGNPDQ-CYBMUJFWSA-N 1 0 354.882 1.728 20 10 FDCDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000729049276 810939964 /nfs/dbraw/zinc/93/99/64/810939964.db2.gz PHBMTQIQLWXFBV-ZDUSSCGKSA-N 1 0 351.447 1.872 20 10 FDCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108783 811721980 /nfs/dbraw/zinc/72/19/80/811721980.db2.gz NNYUZCQPLFQLFC-FUHWJXTLSA-N 1 0 361.486 1.674 20 10 FDCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000280108787 811722223 /nfs/dbraw/zinc/72/22/23/811722223.db2.gz NNYUZCQPLFQLFC-SJLPKXTDSA-N 1 0 361.486 1.674 20 10 FDCDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419706739 812098141 /nfs/dbraw/zinc/09/81/41/812098141.db2.gz KUMVPGNRORWLOY-HNNXBMFYSA-N 1 0 356.470 1.703 20 10 FDCDRO COc1ccc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 ZINC000271769207 814474537 /nfs/dbraw/zinc/47/45/37/814474537.db2.gz FZALQIWJIRJZBF-ZDUSSCGKSA-N 1 0 354.414 1.549 20 10 FDCDRO C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272886765 814783069 /nfs/dbraw/zinc/78/30/69/814783069.db2.gz YRJIQXCTCWEKMR-MRXNPFEDSA-N 1 0 358.486 1.973 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]CN3CCC(=O)CC3)CC2)cc1 ZINC000273004090 814785702 /nfs/dbraw/zinc/78/57/02/814785702.db2.gz AATMPYXQCONHKB-UHFFFAOYSA-N 1 0 360.502 1.419 20 10 FDCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ncn(C)n1 ZINC000894327889 816929891 /nfs/dbraw/zinc/92/98/91/816929891.db2.gz XEKYDAGZFLLEIB-CZUORRHYSA-N 1 0 359.478 1.544 20 10 FDCDRO COC(=O)c1c(CNC[C@H](C)S(C)(=O)=O)c2cc(F)ccc2n1C ZINC000894361210 817657562 /nfs/dbraw/zinc/65/75/62/817657562.db2.gz FMDYFAQEDHUCFH-JTQLQIEISA-N 1 0 356.419 1.627 20 10 FDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CC12COC2 ZINC000894659233 818297914 /nfs/dbraw/zinc/29/79/14/818297914.db2.gz UXFPPJLJLKYKKU-ZDUSSCGKSA-N 1 0 351.399 1.421 20 10 FDCDRO Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n(C)n1 ZINC000894682786 818318542 /nfs/dbraw/zinc/31/85/42/818318542.db2.gz HGVRQNXCVZAGCV-GOSISDBHSA-N 1 0 358.490 1.897 20 10 FDCDRO Oc1cc(O)c(CCNc2nc(Cl)nc3c2CC[NH2+]CC3)cc1O ZINC001168006878 820391848 /nfs/dbraw/zinc/39/18/48/820391848.db2.gz WLCSUOYBBAGFTN-UHFFFAOYSA-N 1 0 350.806 1.590 20 10 FDCDRO Oc1cc(O)c(CCNc2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc1O ZINC001168009606 820680107 /nfs/dbraw/zinc/68/01/07/820680107.db2.gz LOMOXYBCXNDAAF-ZDUSSCGKSA-N 1 0 355.398 1.925 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895394321 822576328 /nfs/dbraw/zinc/57/63/28/822576328.db2.gz NHHHXSHCBGSNMB-MRXNPFEDSA-N 1 0 362.518 1.748 20 10 FDCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000895456035 822607756 /nfs/dbraw/zinc/60/77/56/822607756.db2.gz ALAPDOVLVNMXFT-AMIZOPFISA-N 1 0 362.195 1.962 20 10 FDCDRO COc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c(O)c1OC ZINC000895566457 822658653 /nfs/dbraw/zinc/65/86/53/822658653.db2.gz CEDPDYUJCAMWRU-IBGZPJMESA-N 1 0 366.458 1.115 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895780819 822746487 /nfs/dbraw/zinc/74/64/87/822746487.db2.gz VLUDISIYMFXHIH-HXUWFJFHSA-N 1 0 373.497 1.232 20 10 FDCDRO CNC(=O)C1([NH2+]Cc2cc(Br)cc(F)c2[O-])CCOCC1 ZINC000895883320 822783096 /nfs/dbraw/zinc/78/30/96/822783096.db2.gz CGPAYSFERSLYCU-UHFFFAOYSA-N 1 0 361.211 1.679 20 10 FDCDRO COc1cc(O)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1OC ZINC000896689751 824796662 /nfs/dbraw/zinc/79/66/62/824796662.db2.gz IFGMXBYTZIHXOJ-UHFFFAOYSA-N 1 0 353.415 1.547 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NCC(=O)NCc1ccccc1 ZINC000896887135 825708744 /nfs/dbraw/zinc/70/87/44/825708744.db2.gz KBPAQCNHNAVVNB-UHFFFAOYSA-N 1 0 368.481 1.583 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cnc(Cl)n3)CC2)cc1 ZINC000840767859 826617888 /nfs/dbraw/zinc/61/78/88/826617888.db2.gz RTMOETWCGAMQJZ-CQSZACIVSA-N 1 0 351.838 1.123 20 10 FDCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000840830361 827100785 /nfs/dbraw/zinc/10/07/85/827100785.db2.gz DWQCAILUJHOJRU-OAHLLOKOSA-N 1 0 351.466 1.979 20 10 FDCDRO COc1cccc(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000897691979 840254076 /nfs/dbraw/zinc/25/40/76/840254076.db2.gz LGGVSPOAHWEENP-GOSISDBHSA-N 1 0 352.431 1.862 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3=CCCC3)cc2)CC1 ZINC000898128541 840801013 /nfs/dbraw/zinc/80/10/13/840801013.db2.gz RNKOJQFMFWZXNI-UHFFFAOYSA-N 1 0 356.470 1.281 20 10 FDCDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)nc[nH]1 ZINC000898151707 840830434 /nfs/dbraw/zinc/83/04/34/840830434.db2.gz UETLFBFDOQFPCZ-MRXNPFEDSA-N 1 0 369.469 1.512 20 10 FDCDRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)nc[nH]1 ZINC000898159105 840839889 /nfs/dbraw/zinc/83/98/89/840839889.db2.gz NUXUUGLSYONCMM-INIZCTEOSA-N 1 0 355.442 1.387 20 10 FDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898368365 841021125 /nfs/dbraw/zinc/02/11/25/841021125.db2.gz XQMBKNPJUJFGDI-NSHDSACASA-N 1 0 350.806 1.918 20 10 FDCDRO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000927027770 843334916 /nfs/dbraw/zinc/33/49/16/843334916.db2.gz VOQGESNTLIMYRU-CMPLNLGQSA-N 1 0 355.378 1.857 20 10 FDCDRO CCCN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC[NH2+]CC1 ZINC000842170924 845209062 /nfs/dbraw/zinc/20/90/62/845209062.db2.gz OAIDUUHXIZKUPT-UHFFFAOYSA-N 1 0 370.497 1.670 20 10 FDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170507 845241386 /nfs/dbraw/zinc/24/13/86/845241386.db2.gz HMGSAIAZYWVTNW-WBVHZDCISA-N 1 0 356.470 1.265 20 10 FDCDRO COC[C@H]1C[C@@H](O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097720 845761090 /nfs/dbraw/zinc/76/10/90/845761090.db2.gz FXVFPWNIPQUBOS-KURKYZTESA-N 1 0 364.490 1.147 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(=O)N(C)CC2)[NH+](C)C)cc1 ZINC000899098812 845792554 /nfs/dbraw/zinc/79/25/54/845792554.db2.gz SKYUUVQDWVQKPB-QGZVFWFLSA-N 1 0 361.490 1.229 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@H](CF)C2)[NH+](C)C)cc1 ZINC000899099051 845793612 /nfs/dbraw/zinc/79/36/12/845793612.db2.gz UYLSLNXHHUDDPR-SJORKVTESA-N 1 0 352.454 1.735 20 10 FDCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842253218 846043288 /nfs/dbraw/zinc/04/32/88/846043288.db2.gz PNBSDSFGBXPPGS-HNNXBMFYSA-N 1 0 372.469 1.728 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842261584 846111231 /nfs/dbraw/zinc/11/12/31/846111231.db2.gz TVGOHUGNEUKDSE-SFHVURJKSA-N 1 0 360.502 1.735 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000904948303 851495350 /nfs/dbraw/zinc/49/53/50/851495350.db2.gz WWTGWAJYURSTIK-UHFFFAOYSA-N 1 0 374.529 1.935 20 10 FDCDRO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000908459295 855443760 /nfs/dbraw/zinc/44/37/60/855443760.db2.gz FIEAIDLELYUVKM-MRXNPFEDSA-N 1 0 363.487 1.432 20 10 FDCDRO COC[C@H](C)CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460517 855446381 /nfs/dbraw/zinc/44/63/81/855446381.db2.gz WDWDIFGUJHCUAT-WMLDXEAASA-N 1 0 357.520 1.557 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911049019 858085984 /nfs/dbraw/zinc/08/59/84/858085984.db2.gz NHJNEBSXXGQBDR-PBHICJAKSA-N 1 0 360.502 1.222 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911049131 858087149 /nfs/dbraw/zinc/08/71/49/858087149.db2.gz OSYJCLFXWDRLRO-RYQLBKOJSA-N 1 0 372.513 1.176 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1F ZINC000911111352 858131594 /nfs/dbraw/zinc/13/15/94/858131594.db2.gz FMJSRGIMUWCONG-LIRRHRJNSA-N 1 0 362.449 1.238 20 10 FDCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@@H]1C[NH3+] ZINC000911111459 858149423 /nfs/dbraw/zinc/14/94/23/858149423.db2.gz HQIKPBVLTIBKAG-WMLDXEAASA-N 1 0 358.486 1.129 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1F ZINC000911115304 858211706 /nfs/dbraw/zinc/21/17/06/858211706.db2.gz VSNYZPIQKPGCJC-AWEZNQCLSA-N 1 0 350.438 1.156 20 10 FDCDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911226127 858372075 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FDCDRO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)CC[N@@H+]1C ZINC001089866916 897202591 /nfs/dbraw/zinc/20/25/91/897202591.db2.gz VAPIMIFQOOAQLN-JKSUJKDBSA-N 1 0 361.465 1.989 20 10 FDCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1COC(=O)C1 ZINC000921750676 897582531 /nfs/dbraw/zinc/58/25/31/897582531.db2.gz XURGFAJLMPOKMT-KRWDZBQOSA-N 1 0 372.469 1.333 20 10 FDCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785424711 902347966 /nfs/dbraw/zinc/34/79/66/902347966.db2.gz LNBUCOSSOBVDKQ-IAGOWNOFSA-N 1 0 374.529 1.853 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)cc1C ZINC000996303407 903647484 /nfs/dbraw/zinc/64/74/84/903647484.db2.gz GFBUGGBOXPPQLO-HLLBOEOZSA-N 1 0 359.470 1.452 20 10 FDCDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000764286005 904208116 /nfs/dbraw/zinc/20/81/16/904208116.db2.gz AMRNVMPGCHIONA-SFHVURJKSA-N 1 0 355.438 1.904 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000785439014 908154667 /nfs/dbraw/zinc/15/46/67/908154667.db2.gz JXHJPJLNXWPAED-SFHVURJKSA-N 1 0 358.486 1.456 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C(N)=O)co3)C[C@H]2C)cc1C ZINC001082735018 909904907 /nfs/dbraw/zinc/90/49/07/909904907.db2.gz JAYSISHCPHREQW-CZUORRHYSA-N 1 0 371.437 1.946 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccn(C)c3=O)C[C@H]2C)cc1C ZINC001082868038 910560190 /nfs/dbraw/zinc/56/01/90/910560190.db2.gz KSUKGYWGEYRGNP-CRAIPNDOSA-N 1 0 369.465 1.953 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C)cc1C ZINC001082924711 910913069 /nfs/dbraw/zinc/91/30/69/910913069.db2.gz MJIACUHFHRDFRK-CXAGYDPISA-N 1 0 370.453 1.681 20 10 FDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732274719 919293064 /nfs/dbraw/zinc/29/30/64/919293064.db2.gz NBFIOHCFGRCDLO-AEFFLSMTSA-N 1 0 358.486 1.489 20 10 FDCDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2=CC(=O)CS2)C1 ZINC000732354468 919461746 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358.486 1.530 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000805024145 938639697 /nfs/dbraw/zinc/63/96/97/938639697.db2.gz BHHUVKZJXPVCHU-GOSISDBHSA-N 1 0 372.513 1.750 20 10 FDCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805136404 938677117 /nfs/dbraw/zinc/67/71/17/938677117.db2.gz FCBRCNZLJMOCKA-ZDUSSCGKSA-N 1 0 372.263 1.675 20 10 FDCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000807103436 940251050 /nfs/dbraw/zinc/25/10/50/940251050.db2.gz PQWLHIKCVWUSQF-VQIMIIECSA-N 1 0 374.529 1.866 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000807674299 940451899 /nfs/dbraw/zinc/45/18/99/940451899.db2.gz JRSKYSHPVQJMBT-OAHLLOKOSA-N 1 0 372.513 1.920 20 10 FDCDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)C1CC1 ZINC000808225585 940530064 /nfs/dbraw/zinc/53/00/64/940530064.db2.gz RZOHJUZMBYCEDW-GFCCVEGCSA-N 1 0 368.455 1.415 20 10 FDCDRO COC(=O)CN1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000809712604 940890902 /nfs/dbraw/zinc/89/09/02/940890902.db2.gz RAFKCVRVUMBNSN-UHFFFAOYSA-N 1 0 357.248 1.882 20 10 FDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809784504 940902143 /nfs/dbraw/zinc/90/21/43/940902143.db2.gz KZDUNMXHIYFRED-ZDUSSCGKSA-N 1 0 354.472 1.695 20 10 FDCDRO CC[C@H](O)CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000813700549 941452701 /nfs/dbraw/zinc/45/27/01/941452701.db2.gz BSOJNXCAAWABKT-IBGZPJMESA-N 1 0 360.502 1.789 20 10 FDCDRO COc1cccc(O)c1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000816625207 942268288 /nfs/dbraw/zinc/26/82/88/942268288.db2.gz WTTJIJHEHIARMC-UHFFFAOYSA-N 1 0 366.439 1.559 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000817160036 942595228 /nfs/dbraw/zinc/59/52/28/942595228.db2.gz PMNSKPSAGQHQJE-OAHLLOKOSA-N 1 0 360.502 1.319 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000817832983 942995086 /nfs/dbraw/zinc/99/50/86/942995086.db2.gz IRILYHZSWYBHIL-HOTGVXAUSA-N 1 0 360.502 1.778 20 10 FDCDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817892040 943066797 /nfs/dbraw/zinc/06/67/97/943066797.db2.gz JCODFDHMMFJTMK-ZWKOTPCHSA-N 1 0 351.516 1.671 20 10 FDCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817915462 943075203 /nfs/dbraw/zinc/07/52/03/943075203.db2.gz LFXRPXBCCBZDAR-OAHLLOKOSA-N 1 0 357.410 1.334 20 10 FDCDRO CC[C@H]1CN(C(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000817919392 943078082 /nfs/dbraw/zinc/07/80/82/943078082.db2.gz RRUVGRHDWWBUNS-WMZOPIPTSA-N 1 0 360.502 1.687 20 10 FDCDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817920395 943078527 /nfs/dbraw/zinc/07/85/27/943078527.db2.gz JTMRKOXOXRNSPR-GOSISDBHSA-N 1 0 372.513 1.703 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000817921979 943079161 /nfs/dbraw/zinc/07/91/61/943079161.db2.gz MINKELKAMOTASB-FUHWJXTLSA-N 1 0 374.529 1.935 20 10 FDCDRO COc1ccc(N2CCCN(C(=O)C(=O)N3CCC(C)([NH3+])CC3)CC2)cc1 ZINC000817934954 943086531 /nfs/dbraw/zinc/08/65/31/943086531.db2.gz RGOGEOHIPMEJOI-UHFFFAOYSA-N 1 0 374.485 1.074 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817975869 943112458 /nfs/dbraw/zinc/11/24/58/943112458.db2.gz YZXACGPDLRDUQQ-NVXWUHKLSA-N 1 0 359.470 1.731 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000817989043 943123996 /nfs/dbraw/zinc/12/39/96/943123996.db2.gz GKWJYRFOVIRETI-GOSISDBHSA-N 1 0 360.502 1.702 20 10 FDCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212076 970985411 /nfs/dbraw/zinc/98/54/11/970985411.db2.gz HEZDIMRMFIUPTJ-INIZCTEOSA-N 1 0 361.486 1.232 20 10 FDCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121650 943449516 /nfs/dbraw/zinc/44/95/16/943449516.db2.gz NJHWMLQUWCXEQI-INIZCTEOSA-N 1 0 368.449 1.581 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](C)SC)CC2)cc1 ZINC000819186840 943466997 /nfs/dbraw/zinc/46/69/97/943466997.db2.gz WSTAPGRXHSYPGF-WBVHZDCISA-N 1 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ZINC000846178440 950655119 /nfs/dbraw/zinc/65/51/19/950655119.db2.gz VJUWADVLKZTOSA-OAHLLOKOSA-N 1 0 356.417 1.770 20 10 FDCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000846343942 950964688 /nfs/dbraw/zinc/96/46/88/950964688.db2.gz PNJAOROAPSRNHP-UHFFFAOYSA-N 1 0 374.485 1.016 20 10 FDCDRO CN(CC[N@H+](C)Cc1ccccc1)C(=O)CN1C(=O)CSC1=S ZINC001144850320 951218077 /nfs/dbraw/zinc/21/80/77/951218077.db2.gz QXRUZOSZZUZLLM-UHFFFAOYSA-N 1 0 351.497 1.437 20 10 FDCDRO C[NH+]1CCN(c2ccc(CN3CCS(=O)(=O)C(C)(C)C3)cc2)CC1 ZINC000775723847 971740340 /nfs/dbraw/zinc/74/03/40/971740340.db2.gz DNSASSLXWKITPB-UHFFFAOYSA-N 1 0 351.516 1.447 20 10 FDCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000846715146 951476932 /nfs/dbraw/zinc/47/69/32/951476932.db2.gz RPVLQUISVHFWQY-CYBMUJFWSA-N 1 0 354.882 1.871 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C[C@@H]3CCCO3)CC2)cc1 ZINC000775730881 971824128 /nfs/dbraw/zinc/82/41/28/971824128.db2.gz MJQPWIHCTKOFKW-QUCCMNQESA-N 1 0 363.502 1.289 20 10 FDCDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)c(O)c(O)c1 ZINC001148591073 952761142 /nfs/dbraw/zinc/76/11/42/952761142.db2.gz SSPMPSTVLLUOFR-UHFFFAOYSA-N 1 0 357.410 1.840 20 10 FDCDRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000102675110 971937891 /nfs/dbraw/zinc/93/78/91/971937891.db2.gz HKBMLZTUIMQHAS-KRWDZBQOSA-N 1 0 361.486 1.986 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@H]2C)cc1C ZINC001093959251 959358769 /nfs/dbraw/zinc/35/87/69/959358769.db2.gz TZLOKWDSNNCCIL-CZUORRHYSA-N 1 0 357.458 1.928 20 10 FDCDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1=O ZINC001171680359 961242153 /nfs/dbraw/zinc/24/21/53/961242153.db2.gz VADGQYHVERRRFK-FZMZJTMJSA-N 1 0 352.387 1.257 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc(C(N)=O)c3)CC2)cc1 ZINC001177515396 963859924 /nfs/dbraw/zinc/85/99/24/963859924.db2.gz QNZNJUJNJJUGIZ-UHFFFAOYSA-N 1 0 368.481 1.706 20 10 FDCDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000775259163 967025321 /nfs/dbraw/zinc/02/53/21/967025321.db2.gz GBBZFSXWPCBHCX-HNNXBMFYSA-N 1 0 357.458 1.854 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852493840 967371431 /nfs/dbraw/zinc/37/14/31/967371431.db2.gz DDPKPSLWOYPIEF-AEFFLSMTSA-N 1 0 358.486 1.312 20 10 FDCDRO CCNC(=O)CCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000110744157 967485515 /nfs/dbraw/zinc/48/55/15/967485515.db2.gz QQOSOZVYZNAIJH-UHFFFAOYSA-N 1 0 364.465 1.500 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2Cn2ccnn2)cc1 ZINC000852792282 967611108 /nfs/dbraw/zinc/61/11/08/967611108.db2.gz UXDJEXRQWSQFRQ-LJQANCHMSA-N 1 0 364.453 1.822 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000775361927 967614869 /nfs/dbraw/zinc/61/48/69/967614869.db2.gz DUTRVYNCICCMHU-AVGNSLFASA-N 1 0 370.471 1.085 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852858449 967662563 /nfs/dbraw/zinc/66/25/63/967662563.db2.gz AEQHDTAOKHXCHB-MRXNPFEDSA-N 1 0 357.376 1.681 20 10 FDCDRO CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000775376328 967766248 /nfs/dbraw/zinc/76/62/48/967766248.db2.gz STEJWYIMKQELQY-YJYMSZOUSA-N 1 0 371.437 1.655 20 10 FDCDRO C[NH+]1CCC(NC(=S)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000853041314 967787875 /nfs/dbraw/zinc/78/78/75/967787875.db2.gz WEZCQBVAQJURBI-UHFFFAOYSA-N 1 0 362.543 1.706 20 10 FDCDRO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000853453623 968022426 /nfs/dbraw/zinc/02/24/26/968022426.db2.gz XTZSPXHLTMUEJZ-UHFFFAOYSA-N 1 0 364.465 1.490 20 10 FDCDRO Cn1ncnc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000853805806 968333702 /nfs/dbraw/zinc/33/37/02/968333702.db2.gz RAFXBQFEKJZYLG-UHFFFAOYSA-N 1 0 354.458 1.277 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ncc[nH]3)CC2)cc1 ZINC000854309991 968763478 /nfs/dbraw/zinc/76/34/78/968763478.db2.gz PEGAFUPTQVYWLQ-UHFFFAOYSA-N 1 0 357.458 1.289 20 10 FDCDRO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)NC(=O)N[C@H]1C ZINC000775834997 972956926 /nfs/dbraw/zinc/95/69/26/972956926.db2.gz XTYJEJKSKQLNCM-OLZOCXBDSA-N 1 0 360.458 1.922 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncccc3N)CC2)cc1 ZINC000864616638 973687492 /nfs/dbraw/zinc/68/74/92/973687492.db2.gz JRVIRKNAMCAMBE-UHFFFAOYSA-N 1 0 369.469 1.615 20 10 FDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O ZINC000105316986 974550431 /nfs/dbraw/zinc/55/04/31/974550431.db2.gz QOYGDACOBSGAEU-IEBWSBKVSA-N 1 0 372.513 1.702 20 10 FDCDRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc2ccccc2c1O ZINC000866551883 975776357 /nfs/dbraw/zinc/77/63/57/975776357.db2.gz DKVJZYMHBSWEJO-VLIAUNLRSA-N 1 0 356.422 1.824 20 10 FDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848426897 976727689 /nfs/dbraw/zinc/72/76/89/976727689.db2.gz QMDFOCOJGSZMCI-KBXCAEBGSA-N 1 0 366.845 1.937 20 10 FDCDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000848531161 976892232 /nfs/dbraw/zinc/89/22/32/976892232.db2.gz NZTXYMBHFSWJIJ-AWEZNQCLSA-N 1 0 360.483 1.871 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000848598983 976936102 /nfs/dbraw/zinc/93/61/02/976936102.db2.gz VWWBPZNMSZSSDM-RISCZKNCSA-N 1 0 360.380 1.710 20 10 FDCDRO C[NH+](C)CCn1cc(C(=O)NCc2cccc(Br)c2O)cn1 ZINC000867832416 976958505 /nfs/dbraw/zinc/95/85/05/976958505.db2.gz MIPPLPZJKIMMEB-UHFFFAOYSA-N 1 0 367.247 1.843 20 10 FDCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000848935034 977255701 /nfs/dbraw/zinc/25/57/01/977255701.db2.gz IQYHMNQVIKNMQM-TXEJJXNPSA-N 1 0 356.517 1.198 20 10 FDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000868130371 977308857 /nfs/dbraw/zinc/30/88/57/977308857.db2.gz LLJZYZBDNHFTIV-PKOBYXMFSA-N 1 0 358.486 1.759 20 10 FDCDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1O ZINC000868309515 977487360 /nfs/dbraw/zinc/48/73/60/977487360.db2.gz JSNCLQMXHNXMFV-LBPRGKRZSA-N 1 0 355.394 1.690 20 10 FDCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000849584075 977787936 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364.465 1.006 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851685533 978997254 /nfs/dbraw/zinc/99/72/54/978997254.db2.gz RPFXXDJMPAFGSU-CRAIPNDOSA-N 1 0 362.518 1.598 20 10 FDCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000851691046 979000616 /nfs/dbraw/zinc/00/06/16/979000616.db2.gz DMHYXSLWPMAJRB-HNNXBMFYSA-N 1 0 372.469 1.599 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3[C@@H](C)CC[C@H]3CO)CC2)cc1 ZINC000880439694 979197805 /nfs/dbraw/zinc/19/78/05/979197805.db2.gz HRQIHDFADOXQBU-YTQUADARSA-N 1 0 363.502 1.023 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cc2)CC1 ZINC000881851185 980213198 /nfs/dbraw/zinc/21/31/98/980213198.db2.gz PJNVDZZXSCUJTM-QGZVFWFLSA-N 1 0 353.470 1.514 20 10 FDCDRO COCc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881853927 980218231 /nfs/dbraw/zinc/21/82/31/980218231.db2.gz OJNRUWULIQYAPE-UHFFFAOYSA-N 1 0 360.483 1.971 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cnn4c3CCCC4)cc2)CC1 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FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926347872 996075038 /nfs/dbraw/zinc/07/50/38/996075038.db2.gz KGBRJSCXUBBCOA-HZPDHXFCSA-N 1 0 361.486 1.964 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc21 ZINC000264503134 997525929 /nfs/dbraw/zinc/52/59/29/997525929.db2.gz RPJDKCACOYYDCH-GOSISDBHSA-N 1 0 373.501 1.208 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNc3nccn4cnnc34)CC2)cc1 ZINC000265410138 997783000 /nfs/dbraw/zinc/78/30/00/997783000.db2.gz DPQFFLZDZJHYIZ-UHFFFAOYSA-N 1 0 367.457 1.757 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCCC3)cc2F)CC1 ZINC000283030145 997805308 /nfs/dbraw/zinc/80/53/08/997805308.db2.gz CCQFQTGMOLCEMQ-UHFFFAOYSA-N 1 0 362.449 1.206 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4cncn4C3)cc2)CC1 ZINC000889659293 998508002 /nfs/dbraw/zinc/50/80/02/998508002.db2.gz UKQDTSYBQPHYCP-MRXNPFEDSA-N 1 0 354.458 1.059 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H](O)C(F)F)cc2)CC1 ZINC000889659280 998508083 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COc1cccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000266736970 999223040 /nfs/dbraw/zinc/22/30/40/999223040.db2.gz CESCKFIMXNRCTF-CQSZACIVSA-N 1 0 363.458 1.701 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2F)C[C@@H](C)O1 ZINC000269252774 999466026 /nfs/dbraw/zinc/46/60/26/999466026.db2.gz QLYHKIMUIOXKEC-IIAWOOMASA-N 1 0 365.449 1.434 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286490508 999944865 /nfs/dbraw/zinc/94/48/65/999944865.db2.gz LSZXGFCHXWHPNB-HOCLYGCPSA-N 1 0 373.419 1.862 20 10 FDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288416160 1000015357 /nfs/dbraw/zinc/01/53/57/1000015357.db2.gz CNFHUYYFXFDZSP-BEFAXECRSA-N 1 0 368.481 1.278 20 10 FDCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289319941 1000090333 /nfs/dbraw/zinc/09/03/33/1000090333.db2.gz UNRORHSWNMIOMX-SQZHUTIHSA-N 1 0 370.497 1.043 20 10 FDCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C1(O)CCOCC1 ZINC000929756124 1002406835 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O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@]1(O)CCSC1 ZINC000158648103 524505327 /nfs/dbraw/zinc/50/53/27/524505327.db2.gz RJOGEJSFGQRXON-YOEHRIQHSA-N 1 0 370.902 1.994 20 10 FDCDRO C[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000124383752 524972779 /nfs/dbraw/zinc/97/27/79/524972779.db2.gz PKMKLPMNTIWSSS-LJQANCHMSA-N 1 0 365.449 1.125 20 10 FDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000105160684 525471101 /nfs/dbraw/zinc/47/11/01/525471101.db2.gz VYJIFSAEPCHZSI-MRXNPFEDSA-N 1 0 364.465 1.898 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CO)cc2F)CC1 ZINC000118577857 525514298 /nfs/dbraw/zinc/51/42/98/525514298.db2.gz OPDSGGCCPQSRNB-INIZCTEOSA-N 1 0 364.465 1.634 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000171236585 525913575 /nfs/dbraw/zinc/91/35/75/525913575.db2.gz MWHLWXFDZWWHCI-UHFFFAOYSA-N 1 0 361.486 1.796 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CCO)cc2F)CC1 ZINC000120281139 526015563 /nfs/dbraw/zinc/01/55/63/526015563.db2.gz RSHYOQCIQAPJDL-CQSZACIVSA-N 1 0 352.454 1.538 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)[C@H](C)NC3=S)cc2F)CC1 ZINC000171604262 526045905 /nfs/dbraw/zinc/04/59/05/526045905.db2.gz MWZDOZCTUIFTNL-LBPRGKRZSA-N 1 0 350.463 1.573 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(n3ccnc3)CC1)cc2=O ZINC000109794642 526186870 /nfs/dbraw/zinc/18/68/70/526186870.db2.gz JBOHXNJQSHNSFP-UHFFFAOYSA-N 1 0 370.413 1.645 20 10 FDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268145298 537011518 /nfs/dbraw/zinc/01/15/18/537011518.db2.gz SKLKYTZUTRMMPT-DNVCBOLYSA-N 1 0 358.486 1.805 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000193473577 537248885 /nfs/dbraw/zinc/24/88/85/537248885.db2.gz SENYTMSFXSPETP-HNNXBMFYSA-N 1 0 368.231 1.637 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000193473563 537249057 /nfs/dbraw/zinc/24/90/57/537249057.db2.gz SENYTMSFXSPETP-OAHLLOKOSA-N 1 0 368.231 1.637 20 10 FDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285776957 537272460 /nfs/dbraw/zinc/27/24/60/537272460.db2.gz SPBPGWZCCJZUQR-KSSFIOAISA-N 1 0 370.497 1.284 20 10 FDCDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000285794184 537289468 /nfs/dbraw/zinc/28/94/68/537289468.db2.gz UZOZUIJAFMWEFE-CRAIPNDOSA-N 1 0 372.513 1.626 20 10 FDCDRO COCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1 ZINC000279891497 537357436 /nfs/dbraw/zinc/35/74/36/537357436.db2.gz HRHJCIXBQHWODW-UHFFFAOYSA-N 1 0 361.486 1.498 20 10 FDCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000299259960 537519470 /nfs/dbraw/zinc/51/94/70/537519470.db2.gz FEVKKKCPUMMIPQ-QWHCGFSZSA-N 1 0 350.415 1.484 20 10 FDCDRO COCC[NH2+]CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237231951 537618009 /nfs/dbraw/zinc/61/80/09/537618009.db2.gz PHDLLFNNHLLWMS-ZDUSSCGKSA-N 1 0 357.401 1.609 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1=CC[N@H+](C)CC1 ZINC000285590974 537734957 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C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccc3)cc2)CC1 ZINC000891145046 773416488 /nfs/dbraw/zinc/41/64/88/773416488.db2.gz METVTFBJWXCIRO-UHFFFAOYSA-N 1 0 352.438 1.693 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275738889 773465406 /nfs/dbraw/zinc/46/54/06/773465406.db2.gz VFPGQXDYTXLFCO-HNNXBMFYSA-N 1 0 355.442 1.913 20 10 FDCDRO COCCn1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891245243 774078719 /nfs/dbraw/zinc/07/87/19/774078719.db2.gz BBYUVGZZJASFNH-IBGZPJMESA-N 1 0 373.501 1.937 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3n2CCOC3)[NH+](C)C)cc1 ZINC000891245892 774083329 /nfs/dbraw/zinc/08/33/29/774083329.db2.gz KCWBUHNHBOYMFK-INIZCTEOSA-N 1 0 357.458 1.512 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\CN2CCOCC2)[NH+](C)C)cc1 ZINC000891248367 774096016 /nfs/dbraw/zinc/09/60/16/774096016.db2.gz LTPABYCFQJUUAR-VOFKWLDRSA-N 1 0 360.502 1.360 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000891255486 774169976 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20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3CO)cc2F)CC1 ZINC000892873988 791517432 /nfs/dbraw/zinc/51/74/32/791517432.db2.gz DBDKEDVKOLIMIQ-OAHLLOKOSA-N 1 0 350.438 1.244 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H](COC)C1)cc2=O ZINC000363813858 794096891 /nfs/dbraw/zinc/09/68/91/794096891.db2.gz GCOJXPPRTZDOET-CYBMUJFWSA-N 1 0 362.430 1.860 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(O)c1OC ZINC000893359698 795906354 /nfs/dbraw/zinc/90/63/54/795906354.db2.gz CTNSPVRHTLPPPN-AAEUAGOBSA-N 1 0 358.460 1.217 20 10 FDCDRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000066862650 801012629 /nfs/dbraw/zinc/01/26/29/801012629.db2.gz KPAQVGWSQCDFCT-KRWDZBQOSA-N 1 0 361.486 1.986 20 10 FDCDRO C[NH+](C)C1CCN(CCNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893866925 809776957 /nfs/dbraw/zinc/77/69/57/809776957.db2.gz NWBZVLQUYHHMLF-UHFFFAOYSA-N 1 0 354.882 1.871 20 10 FDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894076892 809897569 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/nfs/dbraw/zinc/41/74/31/824417431.db2.gz JXQAJLBOQCYZRP-IBGZPJMESA-N 1 0 359.518 1.674 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3COC[C@@H]3C3CC3)cc2)CC1 ZINC000896444889 824418151 /nfs/dbraw/zinc/41/81/51/824418151.db2.gz QBSZXTPDLFESHR-MOPGFXCFSA-N 1 0 358.486 1.663 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CNC(=O)C2)[NH+](C)C)cc1 ZINC000896689786 824796412 /nfs/dbraw/zinc/79/64/12/824796412.db2.gz IYOOWRFDAMPWOB-YOEHRIQHSA-N 1 0 361.490 1.181 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3CCCCC3)cc2)CC1 ZINC000897321713 828067103 /nfs/dbraw/zinc/06/71/03/828067103.db2.gz UQHRWYNQPOODAL-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000841710396 835054884 /nfs/dbraw/zinc/05/48/84/835054884.db2.gz UARAHCJMIJZFIK-UHFFFAOYSA-N 1 0 374.407 1.951 20 10 FDCDRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841712352 835069461 /nfs/dbraw/zinc/06/94/61/835069461.db2.gz NXCMSRXSCHJZEW-HNNXBMFYSA-N 1 0 350.438 1.543 20 10 FDCDRO COc1cc(Br)cc(CN2CCN(C)CC[N@H+](C)CC2)c1O ZINC000897857516 840435730 /nfs/dbraw/zinc/43/57/30/840435730.db2.gz ZAEFCYZRAJBAKK-UHFFFAOYSA-N 1 0 372.307 1.843 20 10 FDCDRO CN1CC[NH+](CC2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)CC1 ZINC000897840681 840494114 /nfs/dbraw/zinc/49/41/14/840494114.db2.gz IBXABFNIBLJWFM-UHFFFAOYSA-N 1 0 361.467 1.632 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[NH+](C)C)cc1 ZINC000897903935 840565230 /nfs/dbraw/zinc/56/52/30/840565230.db2.gz KPRHDUBOIUZNKJ-LHIBYTEYSA-N 1 0 358.486 1.830 20 10 FDCDRO COC(=O)c1cc(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]n1 ZINC000898008642 840660926 /nfs/dbraw/zinc/66/09/26/840660926.db2.gz XREYSLNGQKGNOS-UHFFFAOYSA-N 1 0 356.426 1.632 20 10 FDCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000842029307 840802608 /nfs/dbraw/zinc/80/26/08/840802608.db2.gz BBNXHJZDXFCJSP-OLZOCXBDSA-N 1 0 366.893 1.656 20 10 FDCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000842123778 844746282 /nfs/dbraw/zinc/74/62/82/844746282.db2.gz WTAPHQIMFIJNMF-XIRDDKMYSA-N 1 0 374.485 1.087 20 10 FDCDRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000842171169 845281290 /nfs/dbraw/zinc/28/12/90/845281290.db2.gz PLXSJPMVFVMJTI-GOSISDBHSA-N 1 0 356.470 1.313 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000842223919 845748156 /nfs/dbraw/zinc/74/81/56/845748156.db2.gz ITDJOHGJBCDUCQ-UHFFFAOYSA-N 1 0 360.502 1.748 20 10 FDCDRO COC[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095945 845756914 /nfs/dbraw/zinc/75/69/14/845756914.db2.gz NRZQFLIINNJQJY-ROUUACIJSA-N 1 0 364.490 1.412 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842229813 845768231 /nfs/dbraw/zinc/76/82/31/845768231.db2.gz QTOJCACOCWTLLP-DOTOQJQBSA-N 1 0 360.502 1.605 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(F)(F)C[C@H]2CO)[NH+](C)C)cc1 ZINC000899102061 845774496 /nfs/dbraw/zinc/77/44/96/845774496.db2.gz JVUQHTRRKFKSLP-HOTGVXAUSA-N 1 0 370.444 1.767 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H](O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000899102606 845775614 /nfs/dbraw/zinc/77/56/14/845775614.db2.gz RGSLSMZJLCRHAP-MSOLQXFVSA-N 1 0 374.489 1.122 20 10 FDCDRO COCCN(CCF)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098421 845791667 /nfs/dbraw/zinc/79/16/67/845791667.db2.gz NSNQQINRHQKFBR-QGZVFWFLSA-N 1 0 354.470 1.983 20 10 FDCDRO CC(C)N(C[C@H](O)CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098660 845792644 /nfs/dbraw/zinc/79/26/44/845792644.db2.gz QRPRTHCLFOGICG-ZWKOTPCHSA-N 1 0 366.506 1.129 20 10 FDCDRO CCC[C@H](O)[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098814 845792939 /nfs/dbraw/zinc/79/29/39/845792939.db2.gz SMSHMHDRNRXRPF-KSZLIROESA-N 1 0 366.506 1.176 20 10 FDCDRO C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100600 845797775 /nfs/dbraw/zinc/79/77/75/845797775.db2.gz AYTGZBISTMGXGW-PBHICJAKSA-N 1 0 361.490 1.227 20 10 FDCDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842240084 845865490 /nfs/dbraw/zinc/86/54/90/845865490.db2.gz MJIYIPBIGDTDNS-MRXNPFEDSA-N 1 0 371.437 1.772 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000842249011 845960951 /nfs/dbraw/zinc/96/09/51/845960951.db2.gz ODNZOHBCKZAIHA-KRWDZBQOSA-N 1 0 362.518 1.981 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=S)NC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000899724267 846625594 /nfs/dbraw/zinc/62/55/94/846625594.db2.gz LLOQNEADXWQNKH-YOEHRIQHSA-N 1 0 350.532 1.856 20 10 FDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C3(O)CCOCC3)C2)cc1 ZINC000905288799 851821038 /nfs/dbraw/zinc/82/10/38/851821038.db2.gz DVQUOKVVZBAPBV-QAPCUYQASA-N 1 0 350.459 1.014 20 10 FDCDRO COc1ccc(N2CC[C@H](CNS(=O)(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000905346364 851842774 /nfs/dbraw/zinc/84/27/74/851842774.db2.gz REFXBZNZNJDUCQ-MRXNPFEDSA-N 1 0 367.515 1.441 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CC[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000908460722 855446502 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ZINC000817853403 943017710 /nfs/dbraw/zinc/01/77/10/943017710.db2.gz MWRMZOPURPUACV-MRXNPFEDSA-N 1 0 360.502 1.559 20 10 FDCDRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000817860660 943048760 /nfs/dbraw/zinc/04/87/60/943048760.db2.gz QTBDZTMNYNPRNE-QGZVFWFLSA-N 1 0 374.529 1.662 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000817860124 943049435 /nfs/dbraw/zinc/04/94/35/943049435.db2.gz WXSXNRNLRHAAAU-DOTOQJQBSA-N 1 0 360.502 1.319 20 10 FDCDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C[C@@]1(C)C[NH3+] ZINC000817927183 943064101 /nfs/dbraw/zinc/06/41/01/943064101.db2.gz ZBUGQZKRESJXSC-QVKFZJNVSA-N 1 0 372.513 1.687 20 10 FDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817914930 943075680 /nfs/dbraw/zinc/07/56/80/943075680.db2.gz CMVNZMMXLFKCRJ-LSDHHAIUSA-N 1 0 371.437 1.710 20 10 FDCDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000817915474 943075739 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1.443 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817933148 943084930 /nfs/dbraw/zinc/08/49/30/943084930.db2.gz YOQVFUFDUCSLJB-OAQYLSRUSA-N 1 0 372.513 1.844 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000817948530 943091506 /nfs/dbraw/zinc/09/15/06/943091506.db2.gz BBNMOVIKPNVZRA-UHFFFAOYSA-N 1 0 359.470 1.733 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000817950717 943091670 /nfs/dbraw/zinc/09/16/70/943091670.db2.gz XMCBJGGEGMEWPQ-UHFFFAOYSA-N 1 0 361.486 1.979 20 10 FDCDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000817988928 943121456 /nfs/dbraw/zinc/12/14/56/943121456.db2.gz AMPLRPRYMBMSKI-LJQANCHMSA-N 1 0 372.513 1.846 20 10 FDCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818361655 943243623 /nfs/dbraw/zinc/24/36/23/943243623.db2.gz MIHHZBFQUANNGV-LRDDRELGSA-N 1 0 365.861 1.975 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cccc(C)n3)CC2)cc1 ZINC000818965110 943346450 /nfs/dbraw/zinc/34/64/50/943346450.db2.gz DPGAURFDEOLGKH-HXUWFJFHSA-N 1 0 370.497 1.671 20 10 FDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967596 943385124 /nfs/dbraw/zinc/38/51/24/943385124.db2.gz WWVGHTDNLYXYCJ-OKILXGFUSA-N 1 0 358.479 1.964 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000819078807 943432078 /nfs/dbraw/zinc/43/20/78/943432078.db2.gz ZZDBZTQBFZTTMT-UHFFFAOYSA-N 1 0 370.515 1.907 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCC(F)(F)F)CC2)cc1 ZINC000819123925 943450087 /nfs/dbraw/zinc/45/00/87/943450087.db2.gz GQVPUROXANHNNI-HNNXBMFYSA-N 1 0 361.408 1.720 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)c3ccc[nH]3)CC2)cc1 ZINC000819194968 943470669 /nfs/dbraw/zinc/47/06/69/943470669.db2.gz WAKAWNQADGUYBX-FUHWJXTLSA-N 1 0 358.486 1.857 20 10 FDCDRO COCC(C)(C)C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819328824 943528757 /nfs/dbraw/zinc/52/87/57/943528757.db2.gz PHDLRFXDOUQERS-GOSISDBHSA-N 1 0 365.518 1.440 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H](OC)C3CC3)CC2)cc1 ZINC000819334847 943531006 /nfs/dbraw/zinc/53/10/06/943531006.db2.gz MDFNIBYPSIBEGU-ICSRJNTNSA-N 1 0 363.502 1.193 20 10 FDCDRO CC(C)COC[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819360282 943541814 /nfs/dbraw/zinc/54/18/14/943541814.db2.gz KZRWVMLKPCHKGX-OAHLLOKOSA-N 1 0 358.429 1.925 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000821340797 944445874 /nfs/dbraw/zinc/44/58/74/944445874.db2.gz FBNYGKKTJXXTBF-OAHLLOKOSA-N 1 0 372.473 1.854 20 10 FDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1C ZINC000822470379 945015177 /nfs/dbraw/zinc/01/51/77/945015177.db2.gz NZGCQSFJPQOSSC-MRXNPFEDSA-N 1 0 370.501 1.478 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3ccc(C)n3)cc2F)CC1 ZINC000823161162 945544188 /nfs/dbraw/zinc/54/41/88/945544188.db2.gz AWOHLAAVHAFNDJ-UHFFFAOYSA-N 1 0 359.449 1.789 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000823201449 945562976 /nfs/dbraw/zinc/56/29/76/945562976.db2.gz FBIGWGFUTBIQFU-INIZCTEOSA-N 1 0 361.486 1.749 20 10 FDCDRO CCn1nnc(C)c1C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000823602304 945859878 /nfs/dbraw/zinc/85/98/78/945859878.db2.gz KTONAIDJFGWZIV-UHFFFAOYSA-N 1 0 372.517 1.917 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CN=C(c3cnn(C)c3)O2)cc1 ZINC001195790639 971232205 /nfs/dbraw/zinc/23/22/05/971232205.db2.gz UTHCDSITKVBQAG-GOSISDBHSA-N 1 0 357.458 1.642 20 10 FDCDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(Br)cc3O)CC2)N1 ZINC000825451374 947251240 /nfs/dbraw/zinc/25/12/40/947251240.db2.gz UMQSIUYFSLCLOT-UHFFFAOYSA-N 1 0 354.204 1.329 20 10 FDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000844171424 947814299 /nfs/dbraw/zinc/81/42/99/947814299.db2.gz TVCRVAXLXIPNLE-UHFFFAOYSA-N 1 0 351.450 1.636 20 10 FDCDRO CC[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000844176710 947818470 /nfs/dbraw/zinc/81/84/70/947818470.db2.gz VYWCVVASTJIGHX-OXJNMPFZSA-N 1 0 358.486 1.537 20 10 FDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCN2Cc2ccccn2)cc1 ZINC000844162911 947842524 /nfs/dbraw/zinc/84/25/24/947842524.db2.gz ORPQBTNZFKBFFS-WOJBJXKFSA-N 1 0 367.497 1.928 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844218923 947846308 /nfs/dbraw/zinc/84/63/08/947846308.db2.gz FKFAPLJWGXMSFD-DLBZAZTESA-N 1 0 360.502 1.403 20 10 FDCDRO O=C1NCC[C@]12C[N@H+](Cc1c(O)cc(O)cc1O)C[C@H]2c1ccccc1 ZINC001144508758 949781014 /nfs/dbraw/zinc/78/10/14/949781014.db2.gz XKBGIWBHPMEGRE-OXJNMPFZSA-N 1 0 354.406 1.909 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846348706 950978461 /nfs/dbraw/zinc/97/84/61/950978461.db2.gz TUQHZXWQIHRVCQ-UHFFFAOYSA-N 1 0 360.502 1.736 20 10 FDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000846349917 950981876 /nfs/dbraw/zinc/98/18/76/950981876.db2.gz XWKKNRVQHPSJOL-UHFFFAOYSA-N 1 0 360.502 1.689 20 10 FDCDRO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846674645 951439991 /nfs/dbraw/zinc/43/99/91/951439991.db2.gz RNGQVLYMZOVLGK-BBRMVZONSA-N 1 0 370.444 1.652 20 10 FDCDRO C[NH+]1CCN(c2cccc(CNC(=O)c3cc(O)c(O)c(O)c3)c2)CC1 ZINC001148589809 952760449 /nfs/dbraw/zinc/76/04/49/952760449.db2.gz LXGKYTBMCXXXJE-UHFFFAOYSA-N 1 0 357.410 1.485 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C)cc1C ZINC001094008135 959501526 /nfs/dbraw/zinc/50/15/26/959501526.db2.gz HKMCTVAZGJQHBM-GDBMZVCRSA-N 1 0 359.470 1.453 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)cc1C ZINC001094046185 959614953 /nfs/dbraw/zinc/61/49/53/959614953.db2.gz RIDKABMFUHJMCF-DZUCGIPZSA-N 1 0 359.470 1.309 20 10 FDCDRO O=C(c1ccc(=O)[nH]n1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001181725447 961060339 /nfs/dbraw/zinc/06/03/39/961060339.db2.gz HBVGKSUJWPVOJT-UHFFFAOYSA-N 1 0 365.397 1.223 20 10 FDCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)cc1 ZINC001172180533 961554834 /nfs/dbraw/zinc/55/48/34/961554834.db2.gz DBGZVMSGDKFNAN-RBUKOAKNSA-N 1 0 373.497 1.987 20 10 FDCDRO CN(c1ccc(N2CC[NH+](C)CC2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174815482 962946113 /nfs/dbraw/zinc/94/61/13/962946113.db2.gz OKFBJFDUWMGZMF-UHFFFAOYSA-N 1 0 374.510 1.987 20 10 FDCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCOCC1 ZINC000773408555 962959429 /nfs/dbraw/zinc/95/94/29/962959429.db2.gz RKEQEDZSTOZCDI-HNNXBMFYSA-N 1 0 368.861 1.668 20 10 FDCDRO CN1CCN(c2ccc(C[NH2+]CCNC(=O)c3ccco3)cc2F)CC1 ZINC001177175277 963708822 /nfs/dbraw/zinc/70/88/22/963708822.db2.gz FUNOKUMGZOKFQH-UHFFFAOYSA-N 1 0 360.433 1.690 20 10 FDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001177896445 964014163 /nfs/dbraw/zinc/01/41/63/964014163.db2.gz CFDYVCXTMULUIP-QGZVFWFLSA-N 1 0 370.497 1.509 20 10 FDCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000773767734 964434072 /nfs/dbraw/zinc/43/40/72/964434072.db2.gz ZUKMRJIHQDPIEX-UHFFFAOYSA-N 1 0 353.470 1.959 20 10 FDCDRO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000775254417 966992053 /nfs/dbraw/zinc/99/20/53/966992053.db2.gz ISOXPOFSOKHPTO-INIZCTEOSA-N 1 0 354.454 1.885 20 10 FDCDRO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000775254128 966994871 /nfs/dbraw/zinc/99/48/71/966994871.db2.gz HDYIECYMXIXRBN-CQSZACIVSA-N 1 0 360.458 1.504 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852493842 967371409 /nfs/dbraw/zinc/37/14/09/967371409.db2.gz DDPKPSLWOYPIEF-SJLPKXTDSA-N 1 0 358.486 1.312 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)cc1 ZINC000852668720 967520011 /nfs/dbraw/zinc/52/00/11/967520011.db2.gz GFQIPBTXIRHITH-IRXDYDNUSA-N 1 0 359.470 1.312 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)cc1 ZINC000852844768 967651708 /nfs/dbraw/zinc/65/17/08/967651708.db2.gz ZNGVWWINTCMCHW-WMZOPIPTSA-N 1 0 369.469 1.825 20 10 FDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000852861445 967667469 /nfs/dbraw/zinc/66/74/69/967667469.db2.gz VUVSEZMVOJQKPD-DOTOQJQBSA-N 1 0 358.486 1.393 20 10 FDCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862856 967668526 /nfs/dbraw/zinc/66/85/26/967668526.db2.gz LINTVYFYVAFCDQ-HOTGVXAUSA-N 1 0 369.412 1.737 20 10 FDCDRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775369798 967716008 /nfs/dbraw/zinc/71/60/08/967716008.db2.gz IFZKVARDSRLRJM-ZDUSSCGKSA-N 1 0 365.430 1.352 20 10 FDCDRO O=C(NCCC[NH+]1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853015565 967775009 /nfs/dbraw/zinc/77/50/09/967775009.db2.gz RTONPJQHCNMPAI-UHFFFAOYSA-N 1 0 360.502 1.933 20 10 FDCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1Cl ZINC001193225992 969594690 /nfs/dbraw/zinc/59/46/90/969594690.db2.gz VIRYSODZIILXPB-QWHCGFSZSA-N 1 0 353.850 1.602 20 10 FDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](O)C3)cc2F)C[C@H](C)O1 ZINC000113503405 970551640 /nfs/dbraw/zinc/55/16/40/970551640.db2.gz UMVYAHCXVYWQMX-LZWOXQAQSA-N 1 0 365.449 1.122 20 10 FDCDRO O=C(COc1ccccc1NC[C@H](O)C[NH+]1CCCC1)Nc1cccnc1 ZINC000863559689 973016650 /nfs/dbraw/zinc/01/66/50/973016650.db2.gz SLJQHXWNRAAHJM-KRWDZBQOSA-N 1 0 370.453 1.968 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863767065 973195705 /nfs/dbraw/zinc/19/57/05/973195705.db2.gz ISGXYXWYSYWAHH-JTQLQIEISA-N 1 0 372.263 1.309 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)C[C@](C)(O)C3CC3)CC2)cc1F ZINC000863968819 973337680 /nfs/dbraw/zinc/33/76/80/973337680.db2.gz OYQGCTULMLGQFX-LPHOPBHVSA-N 1 0 352.450 1.868 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)COC(F)F)CC2)cc1 ZINC000794621793 973484749 /nfs/dbraw/zinc/48/47/49/973484749.db2.gz ULJICXLJIRPWLV-UHFFFAOYSA-N 1 0 357.401 1.563 20 10 FDCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC001200267622 974738149 /nfs/dbraw/zinc/73/81/49/974738149.db2.gz IKXPPMBEDYCZLZ-UHFFFAOYSA-N 1 0 351.472 1.238 20 10 FDCDRO CCN(C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000847072546 975317809 /nfs/dbraw/zinc/31/78/09/975317809.db2.gz CWTHFEJQHZMUCD-LJQANCHMSA-N 1 0 373.501 1.438 20 10 FDCDRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000847393011 975569557 /nfs/dbraw/zinc/56/95/57/975569557.db2.gz GWTPXGIFJUZLPM-MRXNPFEDSA-N 1 0 371.485 1.772 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCC[NH+](C)C ZINC000866430426 975646319 /nfs/dbraw/zinc/64/63/19/975646319.db2.gz RJNHEISDEYSTRV-UHFFFAOYSA-N 1 0 355.504 1.237 20 10 FDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000866440664 975658729 /nfs/dbraw/zinc/65/87/29/975658729.db2.gz SYFRBVSUWMGFOA-UTLUCORTSA-N 1 0 373.247 1.872 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866745676 975987151 /nfs/dbraw/zinc/98/71/51/975987151.db2.gz ZTNCXDWQPHZQQQ-SFHVURJKSA-N 1 0 367.515 1.427 20 10 FDCDRO C[NH+](C)CCCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866827845 976123911 /nfs/dbraw/zinc/12/39/11/976123911.db2.gz BLGJGBIKQMZBHZ-MRXNPFEDSA-N 1 0 356.488 1.655 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848929386 977241672 /nfs/dbraw/zinc/24/16/72/977241672.db2.gz FZLSYUILZXKGLD-MSOLQXFVSA-N 1 0 358.486 1.502 20 10 FDCDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000848930716 977243920 /nfs/dbraw/zinc/24/39/20/977243920.db2.gz XDHQRMCTDBCBQZ-UHFFFAOYSA-N 1 0 360.502 1.702 20 10 FDCDRO C[C@@H]1CN(C(=[NH2+])NCc2cc(F)c(N3CCOCC3)c(F)c2)CCO1 ZINC000849115640 977327638 /nfs/dbraw/zinc/32/76/38/977327638.db2.gz AHUPJIVULBFKRH-GFCCVEGCSA-N 1 0 354.401 1.546 20 10 FDCDRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327861 977429516 /nfs/dbraw/zinc/42/95/16/977429516.db2.gz WGKIWILOPYSKMC-GOSISDBHSA-N 1 0 354.516 1.808 20 10 FDCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000850519610 978414898 /nfs/dbraw/zinc/41/48/98/978414898.db2.gz OBROKZASUCZGNA-MRXNPFEDSA-N 1 0 369.531 1.781 20 10 FDCDRO COc1cncc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000850585985 978448092 /nfs/dbraw/zinc/44/80/92/978448092.db2.gz IDAFGVAMAZMQGH-INIZCTEOSA-N 1 0 350.444 1.135 20 10 FDCDRO CCOc1ccncc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850585800 978448136 /nfs/dbraw/zinc/44/81/36/978448136.db2.gz AMOHCBCPRSVBDV-OAHLLOKOSA-N 1 0 364.471 1.525 20 10 FDCDRO CO[C@H](CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCCC1 ZINC000850587199 978448846 /nfs/dbraw/zinc/44/88/46/978448846.db2.gz RRMZYQCXGYJESD-QZTJIDSGSA-N 1 0 369.531 1.877 20 10 FDCDRO [NH3+]CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000850756148 978662043 /nfs/dbraw/zinc/66/20/43/978662043.db2.gz OUZVCUJGTIPOKK-OAHLLOKOSA-N 1 0 374.407 1.727 20 10 FDCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)C2)cc1 ZINC000851639940 978981802 /nfs/dbraw/zinc/98/18/02/978981802.db2.gz NHWTXZYPPRRIME-HUUCEWRRSA-N 1 0 370.457 1.047 20 10 FDCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC3([NH3+])CCCC3)cc2)C1 ZINC000851655796 978986215 /nfs/dbraw/zinc/98/62/15/978986215.db2.gz XRIVRDSKSQJKFH-INIZCTEOSA-N 1 0 373.501 1.459 20 10 FDCDRO C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000851661638 978988275 /nfs/dbraw/zinc/98/82/75/978988275.db2.gz MLPZTXIEQJOISY-NVXWUHKLSA-N 1 0 360.502 1.835 20 10 FDCDRO C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000851661637 978988370 /nfs/dbraw/zinc/98/83/70/978988370.db2.gz MLPZTXIEQJOISY-DOTOQJQBSA-N 1 0 360.502 1.835 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000851688609 978999556 /nfs/dbraw/zinc/99/95/56/978999556.db2.gz DSRYRELDSJEEHV-RVKKMQEKSA-N 1 0 374.485 1.024 20 10 FDCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851689708 978999995 /nfs/dbraw/zinc/99/99/95/978999995.db2.gz RYQUSJVPGDQAJG-HUUCEWRRSA-N 1 0 362.474 1.024 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000851899729 979173978 /nfs/dbraw/zinc/17/39/78/979173978.db2.gz DQNFSAKVSXPIOL-DOMZBBRYSA-N 1 0 364.442 1.994 20 10 FDCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852126543 979369241 /nfs/dbraw/zinc/36/92/41/979369241.db2.gz CWQRWRIDTMQHTM-CVEARBPZSA-N 1 0 362.474 1.294 20 10 FDCDRO COc1ccc(N2CCN(C(=O)Cn3cc([C@@H]([NH3+])C(C)C)nn3)CC2)cc1 ZINC000881023964 979591724 /nfs/dbraw/zinc/59/17/24/979591724.db2.gz TYTLLKFZRBILDH-IBGZPJMESA-N 1 0 372.473 1.291 20 10 FDCDRO Cc1cc(C(=O)Cn2cc([C@H]([NH3+])CO)nn2)c(C)n1-c1ccccc1C ZINC000881228350 979754017 /nfs/dbraw/zinc/75/40/17/979754017.db2.gz UAGBEHQCYACQQZ-MRXNPFEDSA-N 1 0 353.426 1.869 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH]nc4C3)cc2)CC1 ZINC000881850809 980211749 /nfs/dbraw/zinc/21/17/49/980211749.db2.gz GTBLQAPPSHALFQ-MRXNPFEDSA-N 1 0 353.470 1.583 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(=O)[nH]c(C4CC4)n3)cc2)CC1 ZINC000881852936 980216529 /nfs/dbraw/zinc/21/65/29/980216529.db2.gz GVBGALCTQCSSHV-UHFFFAOYSA-N 1 0 367.453 1.741 20 10 FDCDRO Cc1cc(=O)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1C ZINC000881853654 980218519 /nfs/dbraw/zinc/21/85/19/980218519.db2.gz FLKQLRAIHYCGCH-UHFFFAOYSA-N 1 0 354.454 1.376 20 10 FDCDRO COC(=O)N1CCC(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881854526 980219461 /nfs/dbraw/zinc/21/94/61/980219461.db2.gz FQHUUZFMKFSBHQ-UHFFFAOYSA-N 1 0 374.485 1.533 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000881854144 980219554 /nfs/dbraw/zinc/21/95/54/980219554.db2.gz UHMNGHVFGGLGBK-IRXDYDNUSA-N 1 0 358.486 1.346 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000881854143 980219583 /nfs/dbraw/zinc/21/95/83/980219583.db2.gz UHMNGHVFGGLGBK-IAGOWNOFSA-N 1 0 358.486 1.346 20 10 FDCDRO CN1CCCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000881854587 980220384 /nfs/dbraw/zinc/22/03/84/980220384.db2.gz HROFSHRVDXDPFY-SFHVURJKSA-N 1 0 358.486 1.313 20 10 FDCDRO Cc1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)sn1 ZINC000882662315 980801956 /nfs/dbraw/zinc/80/19/56/980801956.db2.gz DZDCYZLPLRTSBG-UHFFFAOYSA-N 1 0 366.512 1.682 20 10 FDCDRO Cc1ccc(O)c(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000858125344 981845302 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1.892 20 10 FDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000862144207 984154065 /nfs/dbraw/zinc/15/40/65/984154065.db2.gz TYJROKWOCOVFFM-VQTJNVASSA-N 1 0 367.449 1.798 20 10 FDCDRO CN(C)c1cc(F)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1F ZINC000862236362 984272696 /nfs/dbraw/zinc/27/26/96/984272696.db2.gz SUHKUUSUMFUJIU-UHFFFAOYSA-N 1 0 368.472 1.921 20 10 FDCDRO NC(=O)c1cn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000862482837 984399421 /nfs/dbraw/zinc/39/94/21/984399421.db2.gz CEWWOWPYUYBZKB-UHFFFAOYSA-N 1 0 370.457 1.051 20 10 FDCDRO CC(=O)NCC(=O)N1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000862504060 984401996 /nfs/dbraw/zinc/40/19/96/984401996.db2.gz PUGVKSYMXUPWCL-XQRVVYSFSA-N 1 0 358.486 1.436 20 10 FDCDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000862792659 984537403 /nfs/dbraw/zinc/53/74/03/984537403.db2.gz BRTJCYFRFZALLE-GFCCVEGCSA-N 1 0 355.460 1.225 20 10 FDCDRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000884693597 984699756 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FDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)CC3(O)CCOCC3)C2)cc1 ZINC000872210236 987516811 /nfs/dbraw/zinc/51/68/11/987516811.db2.gz RVYWFDRZNZXMHV-AEFFLSMTSA-N 1 0 364.486 1.404 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872758296 988041349 /nfs/dbraw/zinc/04/13/49/988041349.db2.gz RAEQVCIOJRWKKN-RUCLMCIISA-N 1 0 361.398 1.426 20 10 FDCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccnc(OC)n3)CC2)cc1 ZINC000294634963 988508316 /nfs/dbraw/zinc/50/83/16/988508316.db2.gz AREBUSFQKJGDDM-UHFFFAOYSA-N 1 0 371.485 1.796 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CN(C4CC4)CCO3)ccc21 ZINC000366175951 988508948 /nfs/dbraw/zinc/50/89/48/988508948.db2.gz BJWYYFPPLBMQCN-SFHVURJKSA-N 1 0 358.486 1.731 20 10 FDCDRO COc1ccc(N2CCN(CCNc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000299496111 988541670 /nfs/dbraw/zinc/54/16/70/988541670.db2.gz KBQCSFMNAHAFGR-UHFFFAOYSA-N 1 0 360.418 1.571 20 10 FDCDRO COc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1Cn1cccn1 ZINC000873126579 988592975 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CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296331485 676417883 /nfs/dbraw/zinc/41/78/83/676417883.db2.gz HIIXNSVZFKTTGP-ZFWWWQNUSA-N 1 0 373.494 1.641 20 10 FDCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1O ZINC000366484683 677445362 /nfs/dbraw/zinc/44/53/62/677445362.db2.gz ULIAOOQGWXDQGW-NEPJUHHUSA-N 1 0 353.216 1.558 20 10 FDCDRO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373148639 678037620 /nfs/dbraw/zinc/03/76/20/678037620.db2.gz XWHRQJZZKIIPFY-AEFFLSMTSA-N 1 0 352.475 1.620 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@]1(CO)CC[C@H](C)C1)cc2=O ZINC000275161506 771370145 /nfs/dbraw/zinc/37/01/45/771370145.db2.gz RTJKZMYOTMHAMR-KPZWWZAWSA-N 1 0 362.430 1.595 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000275610503 772787334 /nfs/dbraw/zinc/78/73/34/772787334.db2.gz HFPHPTKSDYRUNK-UHFFFAOYSA-N 1 0 355.442 1.224 20 10 FDCDRO CC(C)CN1C(=O)C(=CNC[C@@H](c2ccccc2)[NH+](C)C)C(=O)NC1=S ZINC000255161241 773543397 /nfs/dbraw/zinc/54/33/97/773543397.db2.gz XPXGMNAWKUNXTK-KMPOOHAWSA-N 1 0 374.510 1.662 20 10 FDCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncc1C(N)=O ZINC000891250152 774120984 /nfs/dbraw/zinc/12/09/84/774120984.db2.gz UYHQWNWXOZWGIF-SFHVURJKSA-N 1 0 369.469 1.588 20 10 FDCDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255748 774170396 /nfs/dbraw/zinc/17/03/96/774170396.db2.gz RSIKCRSYAQLIDR-KDOFPFPSSA-N 1 0 372.469 1.883 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCCCCC2=O)[NH+](C)C)cc1 ZINC000891257593 774173219 /nfs/dbraw/zinc/17/32/19/774173219.db2.gz IXBSBFZHRQIMQW-GOSISDBHSA-N 1 0 360.502 1.874 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCn2ccnc2)[NH+](C)C)cc1 ZINC000891428901 777068927 /nfs/dbraw/zinc/06/89/27/777068927.db2.gz GTACGDOTCXDRGT-GOSISDBHSA-N 1 0 358.490 1.941 20 10 FDCDRO COc1ccc(N2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000891979022 781006226 /nfs/dbraw/zinc/00/62/26/781006226.db2.gz JTRPTPMNGNDZQK-HNNXBMFYSA-N 1 0 362.474 1.535 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)c(OC)c1 ZINC000892095285 781512338 /nfs/dbraw/zinc/51/23/38/781512338.db2.gz VYPVTIFKERUWST-GDBMZVCRSA-N 1 0 362.474 1.533 20 10 FDCDRO COCCO[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000179340383 783814847 /nfs/dbraw/zinc/81/48/47/783814847.db2.gz CKBAWBNQGSHPQW-IBGZPJMESA-N 1 0 363.502 1.838 20 10 FDCDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc(OC)c4O)C[C@@H]3C2)no1 ZINC000378353300 793999940 /nfs/dbraw/zinc/99/99/40/793999940.db2.gz WZKIQFDDCPTIRY-GASCZTMLSA-N 1 0 358.442 1.910 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000378434109 794130587 /nfs/dbraw/zinc/13/05/87/794130587.db2.gz UEEDEQGFFPEWJE-LJQANCHMSA-N 1 0 370.501 1.857 20 10 FDCDRO CCCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c(O)c1 ZINC000364102388 795174668 /nfs/dbraw/zinc/17/46/68/795174668.db2.gz IMGZSNBDZYEHLU-UHFFFAOYSA-N 1 0 361.486 1.919 20 10 FDCDRO COc1c([O-])c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278880436 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10 FDCDRO [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000846137790 950615795 /nfs/dbraw/zinc/61/57/95/950615795.db2.gz QLWZGEYIOJKUOV-UHFFFAOYSA-N 1 0 364.465 1.715 20 10 FDCDRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000846145075 950625160 /nfs/dbraw/zinc/62/51/60/950625160.db2.gz OMCFAHLZPYQUOR-UHFFFAOYSA-N 1 0 352.454 1.802 20 10 FDCDRO Cc1cccc(N(C(=O)CN2C(=O)CSC2=S)C2CC[NH2+]CC2)n1 ZINC001144850346 951217952 /nfs/dbraw/zinc/21/79/52/951217952.db2.gz RXKUKNGGISPHKL-UHFFFAOYSA-N 1 0 364.496 1.335 20 10 FDCDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000806038950 951363239 /nfs/dbraw/zinc/36/32/39/951363239.db2.gz JNTISRHESMZPHF-RYUDHWBXSA-N 1 0 356.517 1.340 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2C)cc1C ZINC001093639285 958404604 /nfs/dbraw/zinc/40/46/04/958404604.db2.gz BYVHAJOVBHNGHM-SJLPKXTDSA-N 1 0 371.485 1.870 20 10 FDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)c3C)C[C@H]2C)cc1C ZINC001093688050 958505202 /nfs/dbraw/zinc/50/52/02/958505202.db2.gz BCAZIQPGCAZCHJ-RHSMWYFYSA-N 1 0 371.485 1.938 20 10 FDCDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000774217723 961895995 /nfs/dbraw/zinc/89/59/95/961895995.db2.gz PHTBRFSEJIOJCF-OLMNPRSZSA-N 1 0 358.486 1.625 20 10 FDCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(O)c(N)c3)c2)CC1 ZINC001212714522 961971383 /nfs/dbraw/zinc/97/13/83/961971383.db2.gz AZJOQBOZIPSLDM-UHFFFAOYSA-N 1 0 362.455 1.527 20 10 FDCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)c1O ZINC001176861272 963573917 /nfs/dbraw/zinc/57/39/17/963573917.db2.gz WPSORJKIIZNHFJ-INIZCTEOSA-N 1 0 350.806 1.479 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N(C)C)cc1 ZINC000774866578 963927374 /nfs/dbraw/zinc/92/73/74/963927374.db2.gz NICHMNSRKMZYGY-HNNXBMFYSA-N 1 0 360.502 1.920 20 10 FDCDRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257393 967016896 /nfs/dbraw/zinc/01/68/96/967016896.db2.gz JCYHZWHWKQENTR-OAHLLOKOSA-N 1 0 362.474 1.656 20 10 FDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852630832 967485288 /nfs/dbraw/zinc/48/52/88/967485288.db2.gz ZYIUVWCQYIHBOP-KRWDZBQOSA-N 1 0 360.502 1.931 20 10 FDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000852784130 967603506 /nfs/dbraw/zinc/60/35/06/967603506.db2.gz DKPCAHKNZWTNAI-QGZVFWFLSA-N 1 0 372.473 1.124 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852790916 967609335 /nfs/dbraw/zinc/60/93/35/967609335.db2.gz VQMXMQUYLKPOEW-CQSZACIVSA-N 1 0 373.432 1.392 20 10 FDCDRO COc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000852813847 967626251 /nfs/dbraw/zinc/62/62/51/967626251.db2.gz MEAVKJIWPQLUFA-CYBMUJFWSA-N 1 0 373.432 1.597 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852851303 967657435 /nfs/dbraw/zinc/65/74/35/967657435.db2.gz BSABPYPESKFFSL-JSGCOSHPSA-N 1 0 357.248 1.867 20 10 FDCDRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775369796 967716272 /nfs/dbraw/zinc/71/62/72/967716272.db2.gz IFZKVARDSRLRJM-CYBMUJFWSA-N 1 0 365.430 1.352 20 10 FDCDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122104 967845406 /nfs/dbraw/zinc/84/54/06/967845406.db2.gz NDSAYGPKKLCXKA-UHFFFAOYSA-N 1 0 354.516 1.951 20 10 FDCDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122924 967846244 /nfs/dbraw/zinc/84/62/44/967846244.db2.gz VZCMHQMMIHKXDO-BEFAXECRSA-N 1 0 352.475 1.150 20 10 FDCDRO COc1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000853965274 968477349 /nfs/dbraw/zinc/47/73/49/968477349.db2.gz GFCSORGKSRJNRQ-ZDUSSCGKSA-N 1 0 351.403 1.647 20 10 FDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000111845440 968545066 /nfs/dbraw/zinc/54/50/66/968545066.db2.gz CFJGRBUOLSDCPM-GOSISDBHSA-N 1 0 360.502 1.979 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855163936 970190378 /nfs/dbraw/zinc/19/03/78/970190378.db2.gz GKUFRAQKDSRTCK-LBPRGKRZSA-N 1 0 355.460 1.366 20 10 FDCDRO CCN(CC[NH3+])C(=O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000863767300 973195793 /nfs/dbraw/zinc/19/57/93/973195793.db2.gz MVQCSIDYXCGQGW-UHFFFAOYSA-N 1 0 372.263 1.310 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNCc3nnc(C4CCOCC4)[nH]3)cc2)CC1 ZINC000865687745 974422608 /nfs/dbraw/zinc/42/26/08/974422608.db2.gz UVDXIWFIZOAOJB-UHFFFAOYSA-N 1 0 370.501 1.740 20 10 FDCDRO COCCn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC001199791693 974506001 /nfs/dbraw/zinc/50/60/01/974506001.db2.gz AJXJMJVZPRNXPE-UHFFFAOYSA-N 1 0 373.501 1.450 20 10 FDCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000847381842 975557641 /nfs/dbraw/zinc/55/76/41/975557641.db2.gz SGVDHUMTYKLXNK-UHFFFAOYSA-N 1 0 357.458 1.211 20 10 FDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000866554819 975784183 /nfs/dbraw/zinc/78/41/83/975784183.db2.gz USQJPSCTVXGYER-SJKOYZFVSA-N 1 0 354.834 1.632 20 10 FDCDRO COc1c(F)cccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000866756873 975999617 /nfs/dbraw/zinc/99/96/17/975999617.db2.gz BMVNSXLGWKWDPY-OAHLLOKOSA-N 1 0 367.446 1.879 20 10 FDCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000848598981 976935615 /nfs/dbraw/zinc/93/56/15/976935615.db2.gz VWWBPZNMSZSSDM-BXUZGUMPSA-N 1 0 360.380 1.710 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848929389 977241075 /nfs/dbraw/zinc/24/10/75/977241075.db2.gz FZLSYUILZXKGLD-ZWKOTPCHSA-N 1 0 358.486 1.502 20 10 FDCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850059970 978133767 /nfs/dbraw/zinc/13/37/67/978133767.db2.gz PGYISQWRYJTGJY-MOIQIXESSA-N 1 0 359.470 1.676 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)cc1 ZINC000850833299 978689528 /nfs/dbraw/zinc/68/95/28/978689528.db2.gz JKQIJFZJFYKNDN-INIZCTEOSA-N 1 0 368.437 1.488 20 10 FDCDRO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccccc1O ZINC000109770824 978791511 /nfs/dbraw/zinc/79/15/11/978791511.db2.gz XXKZQVLUSSQJCB-UHFFFAOYSA-N 1 0 357.410 1.402 20 10 FDCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664455 978988869 /nfs/dbraw/zinc/98/88/69/978988869.db2.gz BVEHUZFYBQHSDY-LPHOPBHVSA-N 1 0 360.502 1.964 20 10 FDCDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851667792 978990391 /nfs/dbraw/zinc/99/03/91/978990391.db2.gz SDHZKKHRGJROHJ-QGZVFWFLSA-N 1 0 360.502 1.979 20 10 FDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851682371 978995956 /nfs/dbraw/zinc/99/59/56/978995956.db2.gz VZAKOKQZSQFDCQ-GOSISDBHSA-N 1 0 360.502 1.931 20 10 FDCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C[NH3+])C1 ZINC000851684854 978996924 /nfs/dbraw/zinc/99/69/24/978996924.db2.gz METDJPNIGHSGKX-OCCSQVGLSA-N 1 0 350.438 1.094 20 10 FDCDRO C/C=C\c1cn(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881418564 979925591 /nfs/dbraw/zinc/92/55/91/979925591.db2.gz HTTNBJHDQPLOQI-JXCVUKRWSA-N 1 0 357.458 1.503 20 10 FDCDRO CO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000881853773 980218244 /nfs/dbraw/zinc/21/82/44/980218244.db2.gz KEMSZRZKQYEPQT-SFHVURJKSA-N 1 0 357.458 1.176 20 10 FDCDRO COc1cnc(F)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881855410 980221694 /nfs/dbraw/zinc/22/16/94/980221694.db2.gz VNMRMJMBCVMFQT-UHFFFAOYSA-N 1 0 358.417 1.911 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(N4CCOCC4)n3)cc2)CC1 ZINC000882880424 981770568 /nfs/dbraw/zinc/77/05/68/981770568.db2.gz RGBRHMWSXFHJRK-UHFFFAOYSA-N 1 0 368.485 1.677 20 10 FDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1F ZINC000858155264 981870600 /nfs/dbraw/zinc/87/06/00/981870600.db2.gz GAZLLPHAWKLZKR-DYVFJYSZSA-N 1 0 374.453 1.857 20 10 FDCDRO C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883163169 981991586 /nfs/dbraw/zinc/99/15/86/981991586.db2.gz PVRRRFZPTDFQIC-INIZCTEOSA-N 1 0 373.501 1.249 20 10 FDCDRO C[NH2+]C[C@H]1CCCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000883449958 982157609 /nfs/dbraw/zinc/15/76/09/982157609.db2.gz SXCSROVWIHMYPT-GOSISDBHSA-N 1 0 360.502 1.418 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000883528249 982246510 /nfs/dbraw/zinc/24/65/10/982246510.db2.gz RZWHSDMMIIWZRU-QGZVFWFLSA-N 1 0 368.485 1.518 20 10 FDCDRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883571648 982273866 /nfs/dbraw/zinc/27/38/66/982273866.db2.gz LUPQGTQCKWPSRF-ZWKOTPCHSA-N 1 0 373.501 1.152 20 10 FDCDRO CO[C@@]1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1 ZINC000883618674 982315323 /nfs/dbraw/zinc/31/53/23/982315323.db2.gz PCBRQVSKCWEFOT-LJQANCHMSA-N 1 0 362.474 1.043 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCOC(F)(F)F)cc2)CC1 ZINC000883640782 982337062 /nfs/dbraw/zinc/33/70/62/982337062.db2.gz YSCJPTVTWIOYLB-UHFFFAOYSA-N 1 0 360.380 1.774 20 10 FDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000883686781 982377083 /nfs/dbraw/zinc/37/70/83/982377083.db2.gz RZAFOUNBFYXNBQ-AWEZNQCLSA-N 1 0 368.428 1.695 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)cc2)CC1 ZINC000883800719 982477961 /nfs/dbraw/zinc/47/79/61/982477961.db2.gz MDFVWHDMGJFXKE-HNULKUCHSA-N 1 0 370.497 1.661 20 10 FDCDRO COC(=O)C1CC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883803141 982481461 /nfs/dbraw/zinc/48/14/61/982481461.db2.gz VXFVPKAZOQYORS-UHFFFAOYSA-N 1 0 360.458 1.189 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(=O)[nH]cn3)cc2F)CC1 ZINC000859261658 982656069 /nfs/dbraw/zinc/65/60/69/982656069.db2.gz PXWRTRBVLUHTHT-UHFFFAOYSA-N 1 0 359.405 1.393 20 10 FDCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000884637885 983304389 /nfs/dbraw/zinc/30/43/89/983304389.db2.gz FNHKPEQMTURNCF-JCNLHEQBSA-N 1 0 358.486 1.537 20 10 FDCDRO [NH3+]CCCOCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861558071 983778168 /nfs/dbraw/zinc/77/81/68/983778168.db2.gz APYXNWODMJZIEU-UHFFFAOYSA-N 1 0 352.504 1.404 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000861769588 983910341 /nfs/dbraw/zinc/91/03/41/983910341.db2.gz NNYJBWFPOYCELY-SJLPKXTDSA-N 1 0 372.513 1.796 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000861792697 983923939 /nfs/dbraw/zinc/92/39/39/983923939.db2.gz WUWVTDGPYIDHER-GOSISDBHSA-N 1 0 370.497 1.644 20 10 FDCDRO COCC(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862227795 984265894 /nfs/dbraw/zinc/26/58/94/984265894.db2.gz HXAZLSHSNFHGTP-UHFFFAOYSA-N 1 0 357.248 1.882 20 10 FDCDRO CN(C)c1cc(F)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1F ZINC000862253768 984286670 /nfs/dbraw/zinc/28/66/70/984286670.db2.gz SEQCAUJLFVEVRZ-UHFFFAOYSA-N 1 0 361.458 1.887 20 10 FDCDRO O=S(=O)([C@@H]1CCC[NH2+]C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000923619197 985944082 /nfs/dbraw/zinc/94/40/82/985944082.db2.gz VFKRITURYGDEEO-JKSUJKDBSA-N 1 0 354.472 1.455 20 10 FDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC000886324794 986070226 /nfs/dbraw/zinc/07/02/26/986070226.db2.gz HLBFSCIEJQSJSQ-UHFFFAOYSA-N 1 0 368.485 1.534 20 10 FDCDRO COc1nccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000886324813 986071101 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CN(C)c1ccc([C@@H](CNC(=O)c2ccn3nccc3n2)[NH+](C)C)cc1 ZINC000891246950 774096118 /nfs/dbraw/zinc/09/61/18/774096118.db2.gz QYZNMWYISCLINS-QGZVFWFLSA-N 1 0 352.442 1.828 20 10 FDCDRO COC(=O)c1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891248443 774097155 /nfs/dbraw/zinc/09/71/55/774097155.db2.gz LRWVGHYVGKSXCY-GOSISDBHSA-N 1 0 370.453 1.967 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)COCc2ccnn2C)[NH+](C)C)cc1 ZINC000891247753 774099177 /nfs/dbraw/zinc/09/91/77/774099177.db2.gz KDBCUXDCHUDVLX-SFHVURJKSA-N 1 0 359.474 1.422 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC000891248008 774099797 /nfs/dbraw/zinc/09/97/97/774099797.db2.gz JVBZFIMYOQEYEI-NUJGCVRESA-N 1 0 360.502 1.763 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3cccnn32)[NH+](C)C)cc1 ZINC000891249581 774109226 /nfs/dbraw/zinc/10/92/26/774109226.db2.gz ROCDMNKVYYWURI-INIZCTEOSA-N 1 0 352.442 1.828 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[NH+](C)C)cc1 ZINC000891249687 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362.430 1.739 20 10 FDCDRO COc1cccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)c1O ZINC000271242681 793444325 /nfs/dbraw/zinc/44/43/25/793444325.db2.gz GKDFTGBMEHHRSJ-CYBMUJFWSA-N 1 0 354.414 1.549 20 10 FDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)cc1OC ZINC000378449731 794159894 /nfs/dbraw/zinc/15/98/94/794159894.db2.gz AUHHVLBXYRYZGD-CQSZACIVSA-N 1 0 362.430 1.855 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(N)=O)o3)cc2)CC1 ZINC000893608577 807039027 /nfs/dbraw/zinc/03/90/27/807039027.db2.gz WVDVGAHOKKHTIT-VQHVLOKHSA-N 1 0 368.437 1.460 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000893642867 808452282 /nfs/dbraw/zinc/45/22/82/808452282.db2.gz QEFUQOOECMQHOD-APWZRJJASA-N 1 0 370.501 1.935 20 10 FDCDRO CCn1ccnc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000279136210 808456358 /nfs/dbraw/zinc/45/63/58/808456358.db2.gz CMGQAQGSZDCMNB-UHFFFAOYSA-N 1 0 371.485 1.854 20 10 FDCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237831568 809522394 /nfs/dbraw/zinc/52/23/94/809522394.db2.gz TWSBHIPAKWNMEV-IBGZPJMESA-N 1 0 369.440 1.993 20 10 FDCDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1(F)F ZINC000894201992 810888423 /nfs/dbraw/zinc/88/84/23/810888423.db2.gz AMIKCYHBQIOYCT-XJKSGUPXSA-N 1 0 372.387 1.931 20 10 FDCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(O)c1OC ZINC000894263296 814299808 /nfs/dbraw/zinc/29/98/08/814299808.db2.gz QBRVAZRIOHEEFA-YPMHNXCESA-N 1 0 358.460 1.217 20 10 FDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)cc1F ZINC000273031016 814785978 /nfs/dbraw/zinc/78/59/78/814785978.db2.gz DKTNGYRTSXFIAC-HNNXBMFYSA-N 1 0 365.449 1.451 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCOCC(F)F)[NH+](C)C)cc1 ZINC000894366805 817728074 /nfs/dbraw/zinc/72/80/74/817728074.db2.gz HUUPGPAHFOOHRR-OAHLLOKOSA-N 1 0 358.433 1.936 20 10 FDCDRO COC(=O)c1c(C[NH2+]CCCc2cnn(C)n2)c2cc(F)ccc2n1C ZINC000894857132 818881982 /nfs/dbraw/zinc/88/19/82/818881982.db2.gz AHIMYSQMBINWBR-UHFFFAOYSA-N 1 0 359.405 1.955 20 10 FDCDRO Oc1cc(O)c(CCNc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc1O ZINC001168018311 821758123 /nfs/dbraw/zinc/75/81/23/821758123.db2.gz ZGTQRQMPYCUVOM-LBPRGKRZSA-N 1 0 355.398 1.578 20 10 FDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000895392926 822575952 /nfs/dbraw/zinc/57/59/52/822575952.db2.gz WCURSILBJJWUEK-AWEZNQCLSA-N 1 0 354.414 1.515 20 10 FDCDRO CON1CCC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000895424498 822596651 /nfs/dbraw/zinc/59/66/51/822596651.db2.gz FDOSYUFDORRCEU-GOSISDBHSA-N 1 0 363.506 1.680 20 10 FDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895494829 822624753 /nfs/dbraw/zinc/62/47/53/822624753.db2.gz KPGJROSLKDBRBJ-UHFFFAOYSA-N 1 0 373.497 1.592 20 10 FDCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCOC1 ZINC000895813067 822756575 /nfs/dbraw/zinc/75/65/75/822756575.db2.gz BDGXHZJUUYFNIL-PKOBYXMFSA-N 1 0 361.486 1.529 20 10 FDCDRO COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895861648 822768549 /nfs/dbraw/zinc/76/85/49/822768549.db2.gz GFIGRHQAENIQOE-RBUKOAKNSA-N 1 0 361.486 1.639 20 10 FDCDRO CCn1ncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000895943717 823796908 /nfs/dbraw/zinc/79/69/08/823796908.db2.gz OHIOZKZBCNMKSU-QGZVFWFLSA-N 1 0 359.478 1.466 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCO[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000896734325 824840944 /nfs/dbraw/zinc/84/09/44/824840944.db2.gz XXWGAJOQQKVMPV-MSOLQXFVSA-N 1 0 364.490 1.460 20 10 FDCDRO C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897333493 828226920 /nfs/dbraw/zinc/22/69/20/828226920.db2.gz XFMFPYNQPUJXCB-APWZRJJASA-N 1 0 372.513 1.750 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)NCCNc3cc[nH+]cc3)CC2)cc1 ZINC000729609824 834406850 /nfs/dbraw/zinc/40/68/50/834406850.db2.gz CFEJSWNPJMETDP-UHFFFAOYSA-N 1 0 369.469 1.892 20 10 FDCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000897515944 835938552 /nfs/dbraw/zinc/93/85/52/835938552.db2.gz GKLQPWLEPZEGLV-IBGZPJMESA-N 1 0 372.513 1.844 20 10 FDCDRO COCC[NH2+]CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841969112 840299457 /nfs/dbraw/zinc/29/94/57/840299457.db2.gz ZBOWDPLJBNZXLY-MRXNPFEDSA-N 1 0 351.447 1.319 20 10 FDCDRO COc1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1F ZINC000841983890 840403698 /nfs/dbraw/zinc/40/36/98/840403698.db2.gz FZJLRXZNDONSHO-UONOGXRCSA-N 1 0 350.438 1.806 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000842035277 840827292 /nfs/dbraw/zinc/82/72/92/840827292.db2.gz DWNFCGKUHAYPRO-GOSISDBHSA-N 1 0 358.486 1.359 20 10 FDCDRO C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327354 840947996 /nfs/dbraw/zinc/94/79/96/840947996.db2.gz DNKMEIYDJUSLHJ-INIZCTEOSA-N 1 0 358.486 1.456 20 10 FDCDRO CCOCc1cc(C[NH2+][C@H]2CN(C(=O)OCC)C[C@@H]2CO)ccc1OC ZINC000898359313 840965376 /nfs/dbraw/zinc/96/53/76/840965376.db2.gz OYALETGDPLKGCB-SJORKVTESA-N 1 0 366.458 1.771 20 10 FDCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000898358770 840995160 /nfs/dbraw/zinc/99/51/60/840995160.db2.gz IQOSWOGLFWHZNH-FUHWJXTLSA-N 1 0 363.458 1.062 20 10 FDCDRO CN(C)c1ccc([C@@H](CNCc2cn(C[C@H]3CCOC3)nn2)[NH+](C)C)cc1 ZINC000898447196 844713661 /nfs/dbraw/zinc/71/36/61/844713661.db2.gz GSHRAFKWZQYZCM-OXQOHEQNSA-N 1 0 372.517 1.773 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1F ZINC000842210237 845624257 /nfs/dbraw/zinc/62/42/57/845624257.db2.gz XKXDUCPSTNXZEE-OAHLLOKOSA-N 1 0 364.465 1.546 20 10 FDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000842223539 845748094 /nfs/dbraw/zinc/74/80/94/845748094.db2.gz LEHDYSZCVAMKRD-UHFFFAOYSA-N 1 0 372.513 1.751 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NOC2CCOCC2)[NH+](C)C)cc1 ZINC000899101378 845772526 /nfs/dbraw/zinc/77/25/26/845772526.db2.gz HJJBGFCIIIXTEK-KRWDZBQOSA-N 1 0 350.463 1.765 20 10 FDCDRO C[C@@H]1C(=O)N(C)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105681 845780258 /nfs/dbraw/zinc/78/02/58/845780258.db2.gz YPHOSYAEYNYZLO-PBHICJAKSA-N 1 0 361.490 1.227 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H](O)C(F)(F)C2)[NH+](C)C)cc1 ZINC000899099147 845793910 /nfs/dbraw/zinc/79/39/10/845793910.db2.gz WBGYVCLEHJTZAQ-JKSUJKDBSA-N 1 0 370.444 1.767 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nnc4ccccc4n3)cc2)CC1 ZINC000899212223 845946503 /nfs/dbraw/zinc/94/65/03/845946503.db2.gz RMLWZSARAHTGDI-UHFFFAOYSA-N 1 0 362.437 1.707 20 10 FDCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000842265836 846127604 /nfs/dbraw/zinc/12/76/04/846127604.db2.gz XFJNLUJTMIFBQD-NRFANRHFSA-N 1 0 372.513 1.750 20 10 FDCDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC[N@@H+]1C ZINC000899473535 846276995 /nfs/dbraw/zinc/27/69/95/846276995.db2.gz UKKPVBBKMBNZMX-RBUKOAKNSA-N 1 0 372.513 1.735 20 10 FDCDRO CC(C)NC(=O)CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899725074 846626612 /nfs/dbraw/zinc/62/66/12/846626612.db2.gz SDHQSVFVTJLVCE-INIZCTEOSA-N 1 0 365.547 1.344 20 10 FDCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cncc(F)c2)[NH+](C)C)cc1 ZINC000908457994 855470579 /nfs/dbraw/zinc/47/05/79/855470579.db2.gz NPUZUNMOXJUNQH-KRWDZBQOSA-N 1 0 366.462 1.868 20 10 FDCDRO Cc1cc(CS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC000908458340 855471437 /nfs/dbraw/zinc/47/14/37/855471437.db2.gz UXMNMWHKJNLNIJ-KRWDZBQOSA-N 1 0 366.487 1.771 20 10 FDCDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(O)cc2O)[C@@H](c2cnn(C)c2)C1 ZINC000910943513 857953094 /nfs/dbraw/zinc/95/30/94/857953094.db2.gz NEIGEAIYKJADRS-ZWKOTPCHSA-N 1 0 372.469 1.962 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911050404 858043231 /nfs/dbraw/zinc/04/32/31/858043231.db2.gz VYDZEOIXLPDPCT-BFYDXBDKSA-N 1 0 360.502 1.161 20 10 FDCDRO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000911249616 858364219 /nfs/dbraw/zinc/36/42/19/858364219.db2.gz JZMWTBFICPRGDS-SFHVURJKSA-N 1 0 372.513 1.653 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000911230581 858378092 /nfs/dbraw/zinc/37/80/92/858378092.db2.gz RLJZHBHNYFQNKY-NVXWUHKLSA-N 1 0 360.502 1.511 20 10 FDCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000911303514 858439931 /nfs/dbraw/zinc/43/99/31/858439931.db2.gz JYXWNLLAPAIAFU-MRXNPFEDSA-N 1 0 362.426 1.005 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911399902 858585878 /nfs/dbraw/zinc/58/58/78/858585878.db2.gz FKMOCYUEMUZLHC-SJLPKXTDSA-N 1 0 374.529 1.851 20 10 FDCDRO CNC(=O)Nc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911668563 858881988 /nfs/dbraw/zinc/88/19/88/858881988.db2.gz ZXIXFAPRINTMJY-QGZVFWFLSA-N 1 0 355.442 1.934 20 10 FDCDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000733900172 865955290 /nfs/dbraw/zinc/95/52/90/865955290.db2.gz KGAPDFTWPROQTN-UHFFFAOYSA-N 1 0 367.496 1.522 20 10 FDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCOCC1 ZINC000765978706 873981677 /nfs/dbraw/zinc/98/16/77/873981677.db2.gz FTLOVNMVPVCUQS-OAHLLOKOSA-N 1 0 352.500 1.826 20 10 FDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CN1C1CC1 ZINC000765981594 877404028 /nfs/dbraw/zinc/40/40/28/877404028.db2.gz XBVJYOKTWKWWNZ-RDJZCZTQSA-N 1 0 363.527 1.636 20 10 FDCDRO COc1cccc(O)c1C[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000922496610 878341764 /nfs/dbraw/zinc/34/17/64/878341764.db2.gz QBAOHAFPUAICEF-UHFFFAOYSA-N 1 0 359.304 1.515 20 10 FDCDRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922497068 878342110 /nfs/dbraw/zinc/34/21/10/878342110.db2.gz SPWSSDIDMNQJOP-UHFFFAOYSA-N 1 0 355.316 1.736 20 10 FDCDRO CN(CCC[NH2+]Cc1c(O)cccc1Br)S(C)(=O)=O ZINC000706835302 886656441 /nfs/dbraw/zinc/65/64/41/886656441.db2.gz QLZRORQQPJEJRB-UHFFFAOYSA-N 1 0 351.266 1.526 20 10 FDCDRO NS(=O)(=O)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930118797 886679354 /nfs/dbraw/zinc/67/93/54/886679354.db2.gz KJPPPISJTMUJGF-UHFFFAOYSA-N 1 0 353.488 1.024 20 10 FDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C12CCOCC2 ZINC000923021177 887788644 /nfs/dbraw/zinc/78/86/44/887788644.db2.gz QZJWPGIVJWKTFL-ROUUACIJSA-N 1 0 350.434 1.682 20 10 FDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000804219008 887900618 /nfs/dbraw/zinc/90/06/18/887900618.db2.gz OSMOPVNMQIYGLJ-INIZCTEOSA-N 1 0 362.518 1.948 20 10 FDCDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000477057510 888053130 /nfs/dbraw/zinc/05/31/30/888053130.db2.gz NUWKHYNCBNQMLT-AWEZNQCLSA-N 1 0 358.486 1.949 20 10 FDCDRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253494 898533056 /nfs/dbraw/zinc/53/30/56/898533056.db2.gz DFHAYDPHVSTRQK-LERXQTSPSA-N 1 0 351.382 1.372 20 10 FDCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000785423307 900530804 /nfs/dbraw/zinc/53/08/04/900530804.db2.gz WNECTINTERPMQA-MAUKXSAKSA-N 1 0 360.502 1.700 20 10 FDCDRO CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001082391668 907455329 /nfs/dbraw/zinc/45/53/29/907455329.db2.gz VNEUQYWHALSJAT-ZIAGYGMSSA-N 1 0 351.382 1.638 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3c4c(nn3C)CCC4)CC2)cc1 ZINC000921610297 908566218 /nfs/dbraw/zinc/56/62/18/908566218.db2.gz YLJXIXSAVMFMRQ-UHFFFAOYSA-N 1 0 369.513 1.829 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)cc1C ZINC001082569128 908716613 /nfs/dbraw/zinc/71/66/13/908716613.db2.gz NEHIJHQLHFIPBR-GFIVTLFCSA-N 1 0 362.470 1.744 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082953549 911092071 /nfs/dbraw/zinc/09/20/71/911092071.db2.gz MJRCPVLNZVRUEE-MLGOLLRUSA-N 1 0 369.429 1.833 20 10 FDCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000730280568 916456370 /nfs/dbraw/zinc/45/63/70/916456370.db2.gz VCNONOWESYOILH-SJLPKXTDSA-N 1 0 360.502 1.591 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3cocn3)CC2)cc1 ZINC000730829172 917329983 /nfs/dbraw/zinc/32/99/83/917329983.db2.gz CCSANRXQYQRQAO-UHFFFAOYSA-N 1 0 373.457 1.695 20 10 FDCDRO COc1ccc(N2CCN(C(=O)CN3CCC[C@H]([NH2+]C(C)C)C3)CC2)cc1 ZINC000731032899 917644447 /nfs/dbraw/zinc/64/44/47/917644447.db2.gz KZYFQHJAFBGRIU-SFHVURJKSA-N 1 0 374.529 1.806 20 10 FDCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC([C@H](C)O)CC3)CC2)cc1 ZINC000732210026 919210028 /nfs/dbraw/zinc/21/00/28/919210028.db2.gz ANWZEYVPDMMZJP-INIZCTEOSA-N 1 0 361.486 1.437 20 10 FDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732273479 919291191 /nfs/dbraw/zinc/29/11/91/919291191.db2.gz AGMJBXCWFLQYLV-QGZVFWFLSA-N 1 0 365.499 1.022 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001085316475 923803012 /nfs/dbraw/zinc/80/30/12/923803012.db2.gz JGYHBKHAAUSUHS-BZUAXINKSA-N 1 0 360.458 1.202 20 10 FDCDRO NC(=O)c1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000735484221 924354840 /nfs/dbraw/zinc/35/48/40/924354840.db2.gz AXHWJFDVCQPUPV-UHFFFAOYSA-N 1 0 355.394 1.542 20 10 FDCDRO CC[NH+]1CCN(CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000742248661 925984421 /nfs/dbraw/zinc/98/44/21/925984421.db2.gz BRCNDFJHPSYHJA-UHFFFAOYSA-N 1 0 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C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000807678434 940454117 /nfs/dbraw/zinc/45/41/17/940454117.db2.gz XJCQQOGMOFLBQX-DLBZAZTESA-N 1 0 372.513 1.874 20 10 FDCDRO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c(O)c1 ZINC000809732925 940888190 /nfs/dbraw/zinc/88/81/90/940888190.db2.gz RVTHECXDFOSEFK-UHFFFAOYSA-N 1 0 361.486 1.777 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnnn3C)cc2F)CC1 ZINC000809901827 940919820 /nfs/dbraw/zinc/91/98/20/940919820.db2.gz VSAKNKKWVATOAB-UHFFFAOYSA-N 1 0 361.425 1.418 20 10 FDCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000810211219 940966343 /nfs/dbraw/zinc/96/63/43/940966343.db2.gz OQXZFFKGMAPXQP-DLBZAZTESA-N 1 0 356.474 1.548 20 10 FDCDRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000811791022 941166390 /nfs/dbraw/zinc/16/63/90/941166390.db2.gz RNYMBAACLOZZLD-UHFFFAOYSA-N 1 0 364.471 1.255 20 10 FDCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](O)CC[C@H]3C)CC2)cc1 ZINC000817287796 942659233 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ZINC000819471087 943604575 /nfs/dbraw/zinc/60/45/75/943604575.db2.gz LIGHXKQMWBSEBW-QGZVFWFLSA-N 1 0 370.453 1.966 20 10 FDCDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC000820029759 943871615 /nfs/dbraw/zinc/87/16/15/943871615.db2.gz ZXMDJYWXSGJOOB-INIZCTEOSA-N 1 0 358.446 1.701 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/[C@@H]3CCOC3)CC2)cc1 ZINC000822238052 944907535 /nfs/dbraw/zinc/90/75/35/944907535.db2.gz RBUMHFASYXGKEO-BYVAAYKLSA-N 1 0 373.497 1.916 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(O)cc3)cc2)CC1 ZINC001195820076 971256458 /nfs/dbraw/zinc/25/64/58/971256458.db2.gz AFUVFHPVDYLYRR-UHFFFAOYSA-N 1 0 361.467 1.623 20 10 FDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)[N@H+]1CCO ZINC000824926862 946878764 /nfs/dbraw/zinc/87/87/64/946878764.db2.gz VZWYBSJZDNAREH-IYBDPMFKSA-N 1 0 351.466 1.549 20 10 FDCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000844173887 947815677 /nfs/dbraw/zinc/81/56/77/947815677.db2.gz BZSYSOQUETUTMK-QGZVFWFLSA-N 1 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COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000844399167 948027672 /nfs/dbraw/zinc/02/76/72/948027672.db2.gz HWIWOYKKJWEFTC-AWEZNQCLSA-N 1 0 350.463 1.686 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)cc1 ZINC000844399168 948028308 /nfs/dbraw/zinc/02/83/08/948028308.db2.gz HWIWOYKKJWEFTC-CQSZACIVSA-N 1 0 350.463 1.686 20 10 FDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000844402472 948032853 /nfs/dbraw/zinc/03/28/53/948032853.db2.gz YVZJEDVXOPBSCP-IBGZPJMESA-N 1 0 371.485 1.992 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](CO)CCF)cc2F)CC1 ZINC000844957810 948536514 /nfs/dbraw/zinc/53/65/14/948536514.db2.gz SEGGGQPCYQGGAH-OAHLLOKOSA-N 1 0 370.444 1.487 20 10 FDCDRO Oc1ccc(Br)cc1CNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001171167451 948771703 /nfs/dbraw/zinc/77/17/03/948771703.db2.gz LATXPDRQQOKGJQ-UHFFFAOYSA-N 1 0 364.247 1.966 20 10 FDCDRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144520162 949762477 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O=C(CC[NH2+][C@@H]1CCc2cccc(O)c21)N1CCN(c2ncccn2)CC1 ZINC000297598163 989576576 /nfs/dbraw/zinc/57/65/76/989576576.db2.gz HWBGQPIHLXTOSS-MRXNPFEDSA-N 1 0 367.453 1.498 20 10 FDCDRO CC[C@H](CO)N(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000297630032 989584450 /nfs/dbraw/zinc/58/44/50/989584450.db2.gz LBOYQHFAQVNMOM-MRXNPFEDSA-N 1 0 366.481 1.880 20 10 FDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000297825557 989711518 /nfs/dbraw/zinc/71/15/18/989711518.db2.gz LWRCQMITNQTKNE-GOSISDBHSA-N 1 0 360.502 1.654 20 10 FDCDRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cccc(C)c2O)[C@@H]1c1cnn(C)c1 ZINC000364705775 989726886 /nfs/dbraw/zinc/72/68/86/989726886.db2.gz LXUIIXCGAFUXQG-QFBILLFUSA-N 1 0 372.469 1.760 20 10 FDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000874111503 989758933 /nfs/dbraw/zinc/75/89/33/989758933.db2.gz OSWCIAHTTBGJBE-MRXNPFEDSA-N 1 0 358.486 1.346 20 10 FDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297940581 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FDCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(CC3CC3)nn2)[NH+](C)C)cc1 ZINC000891247772 774099116 /nfs/dbraw/zinc/09/91/16/774099116.db2.gz KGKBZQMTNFAQQY-GOSISDBHSA-N 1 0 356.474 1.787 20 10 FDCDRO Cc1nnc2n1C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC2 ZINC000891253152 774139981 /nfs/dbraw/zinc/13/99/81/774139981.db2.gz RDJZQMMNGSOMEP-AEFFLSMTSA-N 1 0 370.501 1.634 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)[NH+](C)C)cc1 ZINC000891254597 774147332 /nfs/dbraw/zinc/14/73/32/774147332.db2.gz ZMUTXXIEYASMSJ-DNVCBOLYSA-N 1 0 355.486 2.000 20 10 FDCDRO Cn1cc([C@H]2C[C@@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)cn1 ZINC000376696317 790336757 /nfs/dbraw/zinc/33/67/57/790336757.db2.gz XVKHXBHNEZMARC-CVEARBPZSA-N 1 0 357.433 1.389 20 10 FDCDRO CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000891397866 776821474 /nfs/dbraw/zinc/82/14/74/776821474.db2.gz WYJDCTSFRIVZMK-FUHWJXTLSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000051230368 778209809 /nfs/dbraw/zinc/20/98/09/778209809.db2.gz JEVYUCAGCVCNGH-UHFFFAOYSA-N 1 0 360.458 1.538 20 10 FDCDRO CC(C)NC(=O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891762228 779296460 /nfs/dbraw/zinc/29/64/60/779296460.db2.gz CSMOUCQSEDLDMV-KRWDZBQOSA-N 1 0 363.506 1.569 20 10 FDCDRO C[NH2+][C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000375821819 785049647 /nfs/dbraw/zinc/04/96/47/785049647.db2.gz CLNIFZKIEZOQQY-GOSISDBHSA-N 1 0 357.458 1.428 20 10 FDCDRO COc1ccc(N2CCC(NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000892675016 788343251 /nfs/dbraw/zinc/34/32/51/788343251.db2.gz NDDIMLIAJHSIHE-IYBDPMFKSA-N 1 0 358.486 1.867 20 10 FDCDRO COc1cc(O)c(CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1OC ZINC000782888981 788480831 /nfs/dbraw/zinc/48/08/31/788480831.db2.gz ZMSYDFFFWJXXJI-HNNXBMFYSA-N 1 0 363.458 1.987 20 10 FDCDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892704108 789551780 /nfs/dbraw/zinc/55/17/80/789551780.db2.gz OLJSGGAKIQFDBI-UHFFFAOYSA-N 1 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ZINC000893608661 807043629 /nfs/dbraw/zinc/04/36/29/807043629.db2.gz YIADQHGXZGIMNX-UHFFFAOYSA-N 1 0 360.502 1.607 20 10 FDCDRO CCOC(=O)[C@H](NCc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000893955459 809833156 /nfs/dbraw/zinc/83/31/56/809833156.db2.gz CCZLABRUZVBPPO-OAHLLOKOSA-N 1 0 353.415 1.857 20 10 FDCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178824305 810708592 /nfs/dbraw/zinc/70/85/92/810708592.db2.gz BOJRRFLZZDLMFO-SFHVURJKSA-N 1 0 360.502 1.023 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2ccn(C)n2)[NH+](C)C)cc1 ZINC000894206212 810988474 /nfs/dbraw/zinc/98/84/74/810988474.db2.gz KZOHZAJUFZAVPE-SFHVURJKSA-N 1 0 358.490 1.631 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419707979 812098391 /nfs/dbraw/zinc/09/83/91/812098391.db2.gz MWODUCNKBIQDKV-HRCADAONSA-N 1 0 368.481 1.607 20 10 FDCDRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000419711906 812125605 /nfs/dbraw/zinc/12/56/05/812125605.db2.gz SOZXWLQNEMTDKB-UHFFFAOYSA-N 1 0 370.497 1.951 20 10 FDCDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000272610438 814768372 /nfs/dbraw/zinc/76/83/72/814768372.db2.gz QTAPNSWYZNCBRA-UHFFFAOYSA-N 1 0 367.465 1.418 20 10 FDCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC(N)=O)C1 ZINC000435808221 816191268 /nfs/dbraw/zinc/19/12/68/816191268.db2.gz IXRSWECYTUVMQU-CQSZACIVSA-N 1 0 356.470 1.788 20 10 FDCDRO COC(=O)c1c(CNC[C@@H](C)S(C)(=O)=O)c2cc(F)ccc2n1C ZINC000894361212 817657671 /nfs/dbraw/zinc/65/76/71/817657671.db2.gz FMDYFAQEDHUCFH-SNVBAGLBSA-N 1 0 356.419 1.627 20 10 FDCDRO O=C(c1ccc(NCCc2cc(O)c(O)cc2O)cc1)N1CC[NH2+]CC1 ZINC001168014595 821329756 /nfs/dbraw/zinc/32/97/56/821329756.db2.gz UIRGEXBGGMNKOF-UHFFFAOYSA-N 1 0 357.410 1.503 20 10 FDCDRO COc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)c(O)c1OC ZINC000895438299 822598330 /nfs/dbraw/zinc/59/83/30/822598330.db2.gz NKWKTNZFKFYJRB-UHFFFAOYSA-N 1 0 350.459 1.954 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CNC(=O)C2)[NH+](C)C)cc1 ZINC000896689785 824796547 /nfs/dbraw/zinc/79/65/47/824796547.db2.gz IYOOWRFDAMPWOB-WMLDXEAASA-N 1 0 361.490 1.181 20 10 FDCDRO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCN(C)CC1 ZINC000896708210 824825987 /nfs/dbraw/zinc/82/59/87/824825987.db2.gz OQQYWTFENVETGP-LBPRGKRZSA-N 1 0 363.483 1.926 20 10 FDCDRO COC(=O)c1c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2cc(F)ccc2n1C ZINC000896854595 825320821 /nfs/dbraw/zinc/32/08/21/825320821.db2.gz BFZJUQPUWZXNGA-NDGTYSDOSA-N 1 0 362.401 1.998 20 10 FDCDRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCO1 ZINC000281261119 825927159 /nfs/dbraw/zinc/92/71/59/825927159.db2.gz FFFKOKOKHBERED-GOSISDBHSA-N 1 0 361.486 1.845 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3nc[nH]c(=O)c3C)CC2)cc1 ZINC000840766092 826591286 /nfs/dbraw/zinc/59/12/86/826591286.db2.gz GAOWTZQYRLWXQR-MRXNPFEDSA-N 1 0 373.457 1.094 20 10 FDCDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)s1 ZINC000896930250 826622330 /nfs/dbraw/zinc/62/23/30/826622330.db2.gz LJCIQGBDJQMPRY-UHFFFAOYSA-N 1 0 352.412 1.985 20 10 FDCDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000840825097 827069114 /nfs/dbraw/zinc/06/91/14/827069114.db2.gz RYJJXKWXICWTRL-CQSZACIVSA-N 1 0 365.449 1.608 20 10 FDCDRO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC001088216721 827525603 /nfs/dbraw/zinc/52/56/03/827525603.db2.gz WKXRVTSFUPOMCM-CFVMTHIKSA-N 1 0 359.430 1.624 20 10 FDCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000697289302 832024888 /nfs/dbraw/zinc/02/48/88/832024888.db2.gz HHMXUJHQXQORGK-ZYHUDNBSSA-N 1 0 350.234 1.056 20 10 FDCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000697289300 832024934 /nfs/dbraw/zinc/02/49/34/832024934.db2.gz HHMXUJHQXQORGK-JQWIXIFHSA-N 1 0 350.234 1.056 20 10 FDCDRO CC1(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]CC1 ZINC000841721552 835211971 /nfs/dbraw/zinc/21/19/71/835211971.db2.gz ICAJKSPIFQDFSB-MRXNPFEDSA-N 1 0 373.501 1.330 20 10 FDCDRO COC(=O)/C=C\c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046854 840918590 /nfs/dbraw/zinc/91/85/90/840918590.db2.gz HJFFGHJIOFFGMG-BPIHMUFXSA-N 1 0 363.414 1.672 20 10 FDCDRO COc1ccc(Br)c(CN2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205690634 970764247 /nfs/dbraw/zinc/76/42/47/970764247.db2.gz WLDUOJWYLZWGSQ-HNNXBMFYSA-N 1 0 359.264 1.839 20 10 FDCDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000898399710 844635860 /nfs/dbraw/zinc/63/58/60/844635860.db2.gz TVKWBMQMGMFNDB-RUZDIDTESA-N 1 0 369.487 1.907 20 10 FDCDRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000842154201 845046500 /nfs/dbraw/zinc/04/65/00/845046500.db2.gz RVKJGISFLQBQIY-UHFFFAOYSA-N 1 0 360.502 1.525 20 10 FDCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000842170279 845254072 /nfs/dbraw/zinc/25/40/72/845254072.db2.gz CXXBFUCJLAGCDE-WBVHZDCISA-N 1 0 356.470 1.183 20 10 FDCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842172006 845284625 /nfs/dbraw/zinc/28/46/25/845284625.db2.gz YWYAYELJPKCMAX-WMZOPIPTSA-N 1 0 356.470 1.313 20 10 FDCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1F ZINC000842210289 845625036 /nfs/dbraw/zinc/62/50/36/845625036.db2.gz YPFPLCNEUYLPCU-ZIAGYGMSSA-N 1 0 364.465 1.497 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)[NH+](C)C)cc1 ZINC000899097819 845760886 /nfs/dbraw/zinc/76/08/86/845760886.db2.gz HKUSCTSWKXWFDF-GDAAHCPNSA-N 1 0 360.502 1.910 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)[NH+](C)C)cc1 ZINC000899104184 845777220 /nfs/dbraw/zinc/77/72/20/845777220.db2.gz QMCOQLKUAJTUMR-XLIONFOSSA-N 1 0 373.501 1.277 20 10 FDCDRO CNC(=O)CCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899105191 845779567 /nfs/dbraw/zinc/77/95/67/845779567.db2.gz VDHINJRYAMKIJG-KRWDZBQOSA-N 1 0 363.506 1.523 20 10 FDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)[NH+](C)C)cc1 ZINC000899098653 845791319 /nfs/dbraw/zinc/79/13/19/845791319.db2.gz QPVBELLTJXBUFN-GRGOHXHGSA-N 1 0 364.515 1.270 20 10 FDCDRO C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100602 845797678 /nfs/dbraw/zinc/79/76/78/845797678.db2.gz AYTGZBISTMGXGW-RHSMWYFYSA-N 1 0 361.490 1.227 20 10 FDCDRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842239761 845869025 /nfs/dbraw/zinc/86/90/25/845869025.db2.gz KANIWGZPUUIACW-MRXNPFEDSA-N 1 0 371.437 1.772 20 10 FDCDRO Cn1cnc2cncc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)c21 ZINC000899210939 845945067 /nfs/dbraw/zinc/94/50/67/845945067.db2.gz GRQFWMKAFRVGSV-UHFFFAOYSA-N 1 0 364.453 1.650 20 10 FDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899471819 846274411 /nfs/dbraw/zinc/27/44/11/846274411.db2.gz AEXBNDDTZYZURR-GOSISDBHSA-N 1 0 372.513 1.877 20 10 FDCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000899873039 846819208 /nfs/dbraw/zinc/81/92/08/846819208.db2.gz GUUJGNJYRSPGQO-UHFFFAOYSA-N 1 0 360.393 1.309 20 10 FDCDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@]2(C)C1 ZINC000913284577 861798895 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FDCDRO Cc1c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C ZINC000908460461 855445616 /nfs/dbraw/zinc/44/56/16/855445616.db2.gz UMLSXNROGIGACL-INIZCTEOSA-N 1 0 365.503 1.376 20 10 FDCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910669948 857488012 /nfs/dbraw/zinc/48/80/12/857488012.db2.gz NHALACVGJRPHAK-LAUBAEHRSA-N 1 0 373.497 1.931 20 10 FDCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000910991486 857992583 /nfs/dbraw/zinc/99/25/83/857992583.db2.gz GGZZSJWLZHSKPA-UONOGXRCSA-N 1 0 372.391 1.107 20 10 FDCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])ccc21 ZINC000911110456 858161951 /nfs/dbraw/zinc/16/19/51/858161951.db2.gz DENCPRRAJLUPPH-DYESRHJHSA-N 1 0 370.497 1.415 20 10 FDCDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911159535 858242284 /nfs/dbraw/zinc/24/22/84/858242284.db2.gz RANWYLVUCPULOJ-OXJNMPFZSA-N 1 0 354.454 1.019 20 10 FDCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000911369758 858562439 /nfs/dbraw/zinc/56/24/39/858562439.db2.gz BZWGVHXRUUWNAY-CRAIPNDOSA-N 1 0 358.486 1.359 20 10 FDCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000911536560 858770684 /nfs/dbraw/zinc/77/06/84/858770684.db2.gz NLPBFTQYPIZOJT-CGTJXYLNSA-N 1 0 358.486 1.500 20 10 FDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC000911666747 858879014 /nfs/dbraw/zinc/87/90/14/858879014.db2.gz LPAHDPKRIBLHEV-KRWDZBQOSA-N 1 0 368.437 1.305 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@](C)(CC)CC(=O)OC)cc2=O ZINC000760913042 863432812 /nfs/dbraw/zinc/43/28/12/863432812.db2.gz SOOBVCILTLDGKN-QGZVFWFLSA-N 1 0 364.402 1.433 20 10 FDCDRO CC[C@@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964958 865407634 /nfs/dbraw/zinc/40/76/34/865407634.db2.gz QJQZFPZCWBZUAQ-FUHWJXTLSA-N 1 0 361.486 1.843 20 10 FDCDRO CN(C)c1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1F ZINC000914014494 870348823 /nfs/dbraw/zinc/34/88/23/870348823.db2.gz ZZSIMLAAUYEYQZ-KRWDZBQOSA-N 1 0 355.479 1.797 20 10 FDCDRO COc1ccc(N2CCN(CCNC(=O)C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000762110288 875201647 /nfs/dbraw/zinc/20/16/47/875201647.db2.gz JKJAMDIWMSYYLN-UHFFFAOYSA-N 1 0 374.529 1.665 20 10 FDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000920089309 886609632 /nfs/dbraw/zinc/60/96/32/886609632.db2.gz ZDBOIFGMAONQBX-LMMKCTJWSA-N 1 0 363.502 1.287 20 10 FDCDRO C[NH+]1CCC(n2ccc(NC(=O)NCCc3ccc(O)c(O)c3)n2)CC1 ZINC000376035643 887611759 /nfs/dbraw/zinc/61/17/59/887611759.db2.gz SXGQLRGCWLCOFA-UHFFFAOYSA-N 1 0 359.430 1.925 20 10 FDCDRO CC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001078253713 898533421 /nfs/dbraw/zinc/53/34/21/898533421.db2.gz NTWSZLBCTXXVCW-DCNYZXSGSA-N 1 0 359.430 1.670 20 10 FDCDRO C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000072878902 900344218 /nfs/dbraw/zinc/34/42/18/900344218.db2.gz KARVRSGZZDOAFF-UHFFFAOYSA-N 1 0 374.485 1.723 20 10 FDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccc(N2CCOCC2)cc1 ZINC000112536852 903536807 /nfs/dbraw/zinc/53/68/07/903536807.db2.gz FYLDZHKGULYXAE-CABCVRRESA-N 1 0 355.442 1.991 20 10 FDCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785434894 907390271 /nfs/dbraw/zinc/39/02/71/907390271.db2.gz WTIOEQNUJXQCEE-INIZCTEOSA-N 1 0 374.529 1.996 20 10 FDCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnc4n3CCOC4)CC2)cc1 ZINC000921606057 908539752 /nfs/dbraw/zinc/53/97/52/908539752.db2.gz GNMUAKUQHNNQOK-UHFFFAOYSA-N 1 0 371.485 1.334 20 10 FDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082952888 911128979 /nfs/dbraw/zinc/12/89/79/911128979.db2.gz ZCQBUEJAYZCMQZ-CZUORRHYSA-N 1 0 369.429 1.796 20 10 FDCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000732888983 920257434 /nfs/dbraw/zinc/25/74/34/920257434.db2.gz PXXUDFNQYRQCCY-MRXNPFEDSA-N 1 0 373.501 1.282 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncn(C)n2)cc1C ZINC001085190904 922122328 /nfs/dbraw/zinc/12/23/28/922122328.db2.gz YSDZKFJJRHJVAJ-HZPDHXFCSA-N 1 0 357.458 1.963 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734687604 923589982 /nfs/dbraw/zinc/58/99/82/923589982.db2.gz LRNBPLSKRIQJST-FQEVSTJZSA-N 1 0 373.545 1.982 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000734687327 923590185 /nfs/dbraw/zinc/59/01/85/923590185.db2.gz UYUBXYXEQGTNQO-OALUTQOASA-N 1 0 360.502 1.802 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000734687329 923590246 /nfs/dbraw/zinc/59/02/46/923590246.db2.gz UYUBXYXEQGTNQO-RTBURBONSA-N 1 0 360.502 1.802 20 10 FDCDRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000743203516 926276951 /nfs/dbraw/zinc/27/69/51/926276951.db2.gz GUZIOURAQKUOJX-UHFFFAOYSA-N 1 0 372.473 1.603 20 10 FDCDRO CN(C)c1ccc([C@H](CNC(=O)C[NH+](C)C)NC(=O)OC(C)(C)C)cc1 ZINC000743725043 926445111 /nfs/dbraw/zinc/44/51/11/926445111.db2.gz BCEZCSZBYKRTED-INIZCTEOSA-N 1 0 364.490 1.996 20 10 FDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@@H](C)S[C@H](C)C1)cc2=O ZINC000744412603 926670504 /nfs/dbraw/zinc/67/05/04/926670504.db2.gz HBFWBVQLUUNJQW-GHMZBOCLSA-N 1 0 350.444 1.937 20 10 FDCDRO C[NH+]1CCC(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000746147555 927638703 /nfs/dbraw/zinc/63/87/03/927638703.db2.gz PNPSRHPDHNKDJC-QGZVFWFLSA-N 1 0 358.486 1.346 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000770591780 930129640 /nfs/dbraw/zinc/12/96/40/930129640.db2.gz UDLYBERVLDLODH-KRWDZBQOSA-N 1 0 361.534 1.886 20 10 FDCDRO CC[NH+]1CCC(CNC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000793815287 938324472 /nfs/dbraw/zinc/32/44/72/938324472.db2.gz SBNQOYGEOLWKIK-UHFFFAOYSA-N 1 0 370.544 1.590 20 10 FDCDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806276396 939876619 /nfs/dbraw/zinc/87/66/19/939876619.db2.gz OHKFDFGZBDRTNA-UHFFFAOYSA-N 1 0 356.517 1.294 20 10 FDCDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282498 939880724 /nfs/dbraw/zinc/88/07/24/939880724.db2.gz XOWQCSFZFGJNOS-UHFFFAOYSA-N 1 0 370.544 1.686 20 10 FDCDRO C[NH+]1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000806669006 939997090 /nfs/dbraw/zinc/99/70/90/939997090.db2.gz JQBPNHPQXLNSEV-UHFFFAOYSA-N 1 0 360.483 1.698 20 10 FDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000807099872 940249226 /nfs/dbraw/zinc/24/92/26/940249226.db2.gz DKMZIGAZXKMNIH-LJQANCHMSA-N 1 0 372.513 1.764 20 10 FDCDRO C[NH+](C)CCOCCNC(=O)NCc1cc(Br)ccc1O ZINC000807168463 940264761 /nfs/dbraw/zinc/26/47/61/940264761.db2.gz YHAUHWZFAFRBFX-UHFFFAOYSA-N 1 0 360.252 1.532 20 10 FDCDRO C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C[NH+](C)C ZINC000807286894 940302892 /nfs/dbraw/zinc/30/28/92/940302892.db2.gz DVUQYDGHKLAGMB-INIZCTEOSA-N 1 0 372.513 1.772 20 10 FDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1C ZINC001086660167 940521834 /nfs/dbraw/zinc/52/18/34/940521834.db2.gz BQTIIMFPUFKLOB-GVDBMIGSSA-N 1 0 359.470 1.657 20 10 FDCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701626 940880265 /nfs/dbraw/zinc/88/02/65/940880265.db2.gz ZYZBVHDZDRNTHZ-FUHWJXTLSA-N 1 0 363.477 1.957 20 10 FDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000809709454 940889790 /nfs/dbraw/zinc/88/97/90/940889790.db2.gz FJTPASWVIDDCKP-ZDUSSCGKSA-N 1 0 362.879 1.958 20 10 FDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000814170959 941575064 /nfs/dbraw/zinc/57/50/64/941575064.db2.gz FKNHLGCQOSTLLZ-HNNXBMFYSA-N 1 0 371.478 1.128 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCn1ccnc1 ZINC000817173278 942609867 /nfs/dbraw/zinc/60/98/67/942609867.db2.gz JXIRWMNWYMOKCZ-HNNXBMFYSA-N 1 0 357.458 1.121 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000817808806 942962627 /nfs/dbraw/zinc/96/26/27/942962627.db2.gz ZJNVSQVVFHYKLY-WBVHZDCISA-N 1 0 372.513 1.461 20 10 FDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888137 943044112 /nfs/dbraw/zinc/04/41/12/943044112.db2.gz BPOWDDRHGIWNNO-NXHRZFHOSA-N 1 0 360.502 1.245 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817929026 943071542 /nfs/dbraw/zinc/07/15/42/943071542.db2.gz CLVUAGIQGRYWHG-UHFFFAOYSA-N 1 0 360.502 1.829 20 10 FDCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000817918142 943077285 /nfs/dbraw/zinc/07/72/85/943077285.db2.gz IHZKSIBMCBJRMA-UHFFFAOYSA-N 1 0 358.486 1.313 20 10 FDCDRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000817918011 943077528 /nfs/dbraw/zinc/07/75/28/943077528.db2.gz GHGPZBPKZFABDS-UHFFFAOYSA-N 1 0 360.502 1.559 20 10 FDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000817944340 943091016 /nfs/dbraw/zinc/09/10/16/943091016.db2.gz ZLVKJKHRBXKXFC-FZKQIMNGSA-N 1 0 362.499 1.751 20 10 FDCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000817950732 943091575 /nfs/dbraw/zinc/09/15/75/943091575.db2.gz XTODEGDQLMEYQP-XIRDDKMYSA-N 1 0 359.470 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)cc1 ZINC000852791471 967610149 /nfs/dbraw/zinc/61/01/49/967610149.db2.gz HWCYZYSCBVPJRP-TVFCKZIOSA-N 1 0 358.486 1.564 20 10 FDCDRO COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)cc1 ZINC000852843769 967650590 /nfs/dbraw/zinc/65/05/90/967650590.db2.gz GQGFGOMMXWXJAE-KBPBESRZSA-N 1 0 355.442 1.504 20 10 FDCDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775369710 967685088 /nfs/dbraw/zinc/68/50/88/967685088.db2.gz FUDGXZAKUUYPJV-QWHCGFSZSA-N 1 0 370.471 1.087 20 10 FDCDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000775370886 967695999 /nfs/dbraw/zinc/69/59/99/967695999.db2.gz XFZYBWOMVBVHDM-JKDFXYPNSA-N 1 0 352.431 1.755 20 10 FDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852917924 967707463 /nfs/dbraw/zinc/70/74/63/967707463.db2.gz UNSBAXLZOVWGJQ-IAGOWNOFSA-N 1 0 364.465 1.387 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000775373031 967742403 /nfs/dbraw/zinc/74/24/03/967742403.db2.gz LHUXLQLYLMOOBR-IUCAKERBSA-N 1 0 363.336 1.828 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000775376337 967766586 /nfs/dbraw/zinc/76/65/86/967766586.db2.gz UDVUGJXRTARKBB-KBPBESRZSA-N 1 0 363.458 1.569 20 10 FDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)COC1CCOCC1 ZINC000853121246 967844968 /nfs/dbraw/zinc/84/49/68/967844968.db2.gz BLKWADVDKMZMAM-IBGZPJMESA-N 1 0 364.486 1.294 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN(C)OC)cc2F)CC1 ZINC000853693444 968253819 /nfs/dbraw/zinc/25/38/19/968253819.db2.gz FOEFSTVQKSWAEW-UHFFFAOYSA-N 1 0 367.469 1.260 20 10 FDCDRO C[C@@H](CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000854140464 968626189 /nfs/dbraw/zinc/62/61/89/968626189.db2.gz JGLCAIHDYZMSBA-ZDUSSCGKSA-N 1 0 370.444 1.941 20 10 FDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cn[nH]c(=O)c3)CC2)cc1 ZINC000854309158 968761974 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CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000776499232 978703730 /nfs/dbraw/zinc/70/37/30/978703730.db2.gz UDORZDOLMTYVCX-YOEHRIQHSA-N 1 0 355.456 1.617 20 10 FDCDRO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccccc1O ZINC000109772147 978791543 /nfs/dbraw/zinc/79/15/43/978791543.db2.gz FZTIGTIHSRBHBN-UHFFFAOYSA-N 1 0 359.401 1.872 20 10 FDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000851654442 978985561 /nfs/dbraw/zinc/98/55/61/978985561.db2.gz CHCBBDLRNRTGAU-ZBFHGGJFSA-N 1 0 364.465 1.931 20 10 FDCDRO CN1CCCc2cc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)ccc21 ZINC000851656108 978986314 /nfs/dbraw/zinc/98/63/14/978986314.db2.gz GYKAQTIBSXVXMM-UHFFFAOYSA-N 1 0 356.430 1.023 20 10 FDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC3([NH3+])CCCC3)C2)cc1 ZINC000851689193 979000034 /nfs/dbraw/zinc/00/00/34/979000034.db2.gz MCNZRZRWAQIGER-HNNXBMFYSA-N 1 0 374.485 1.025 20 10 FDCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H](CF)C3)CC2)cc1 ZINC000880299224 979077986 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C[C@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000884633553 983299526 /nfs/dbraw/zinc/29/95/26/983299526.db2.gz OPMMWBPORCLQAX-GOEBONIOSA-N 1 0 360.502 1.824 20 10 FDCDRO C=CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242532 983304218 /nfs/dbraw/zinc/30/42/18/983304218.db2.gz VDHWFMXJUBAZCM-OAHLLOKOSA-N 1 0 365.861 1.771 20 10 FDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000861561795 983778996 /nfs/dbraw/zinc/77/89/96/983778996.db2.gz GXKMBKKIEBFBTO-KBPBESRZSA-N 1 0 352.454 1.930 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861741300 983887244 /nfs/dbraw/zinc/88/72/44/983887244.db2.gz JQVBIHBHKUFEKA-VYDXJSESSA-N 1 0 360.502 1.365 20 10 FDCDRO CN(C)c1cc(F)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1F ZINC000862386959 984369838 /nfs/dbraw/zinc/36/98/38/984369838.db2.gz FHUTYJZWMQQDPF-OAHLLOKOSA-N 1 0 366.456 1.817 20 10 FDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000862482046 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FDCDRO CN1CCc2cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc21 ZINC000372463120 537957817 /nfs/dbraw/zinc/95/78/17/537957817.db2.gz GDHGUODNWARKNB-SFHVURJKSA-N 1 0 360.502 1.931 20 10 FDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000368016083 537971604 /nfs/dbraw/zinc/97/16/04/537971604.db2.gz AYKRUMFTALKSMY-INIZCTEOSA-N 1 0 354.472 1.327 20 10 FDCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000368028680 537972965 /nfs/dbraw/zinc/97/29/65/537972965.db2.gz FMTZGGWKXWMNPL-RYRKJORJSA-N 1 0 363.502 1.799 20 10 FDCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368024593 537973557 /nfs/dbraw/zinc/97/35/57/537973557.db2.gz ZGWYQXJQVORTIJ-UKINESCASA-N 1 0 359.470 1.738 20 10 FDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433394994 538235891 /nfs/dbraw/zinc/23/58/91/538235891.db2.gz OPLBQNVQFZRSKG-CQSZACIVSA-N 1 0 356.430 1.308 20 10 FDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000571714755 549741541 /nfs/dbraw/zinc/74/15/41/549741541.db2.gz WQBUPPGFGDFOGS-SUMWQHHRSA-N 1 0 368.481 1.702 20 10 FDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000273489461 674542492 /nfs/dbraw/zinc/54/24/92/674542492.db2.gz OBLZLUPWRGUGCO-DZGCQCFKSA-N 1 0 372.487 1.540 20 10 FDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210357 608500541 /nfs/dbraw/zinc/50/05/41/608500541.db2.gz NXGUNHQCKFNOSZ-LLVKDONJSA-N 1 0 368.397 1.870 20 10 FDCDRO Oc1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511394 608872813 /nfs/dbraw/zinc/87/28/13/608872813.db2.gz NWCBUSDHCNMSNH-UHFFFAOYSA-N 1 0 350.426 1.890 20 10 FDCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000277491977 674954180 /nfs/dbraw/zinc/95/41/80/674954180.db2.gz QMYQBTQDDWFKSI-LBPRGKRZSA-N 1 0 371.279 1.200 20 10 FDCDRO COc1cccc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000277826478 675048332 /nfs/dbraw/zinc/04/83/32/675048332.db2.gz XIRDVYXXTHASMG-AWEZNQCLSA-N 1 0 351.447 1.701 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)COC)cc2F)CC1 ZINC000106512268 671606937 /nfs/dbraw/zinc/60/69/37/671606937.db2.gz KTGRXLHTKZOKIR-AWEZNQCLSA-N 1 0 352.454 1.802 20 10 FDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111845277 671633824 /nfs/dbraw/zinc/63/38/24/671633824.db2.gz CUFGDZVOSARINV-HNNXBMFYSA-N 1 0 352.454 1.802 20 10 FDCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161091299 672006998 /nfs/dbraw/zinc/00/69/98/672006998.db2.gz BAVUYRUXEHRVOD-SFHVURJKSA-N 1 0 352.500 1.922 20 10 FDCDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2O)cc1 ZINC000238099640 672433609 /nfs/dbraw/zinc/43/36/09/672433609.db2.gz VPPMLILPRSHARA-UHFFFAOYSA-N 1 0 351.384 1.369 20 10 FDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288734481 676047278 /nfs/dbraw/zinc/04/72/78/676047278.db2.gz LTSOGCRMHOMOAI-GFCCVEGCSA-N 1 0 373.247 1.784 20 10 FDCDRO CC[NH+]1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000266579164 673151782 /nfs/dbraw/zinc/15/17/82/673151782.db2.gz UJUZAKVODOSASL-UHFFFAOYSA-N 1 0 369.487 1.616 20 10 FDCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267371069 673297004 /nfs/dbraw/zinc/29/70/04/673297004.db2.gz STOBJOMRLSYTSG-AAEUAGOBSA-N 1 0 355.460 1.366 20 10 FDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCO)cc2F)CC1 ZINC000281554080 675529870 /nfs/dbraw/zinc/52/98/70/675529870.db2.gz AJKQBOFDOHYNTH-UHFFFAOYSA-N 1 0 352.454 1.491 20 10 FDCDRO COc1cc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1OC ZINC000284968160 675773396 /nfs/dbraw/zinc/77/33/96/675773396.db2.gz CRVLNQUOYVMZKH-UHFFFAOYSA-N 1 0 358.460 1.171 20 10 FDCDRO Cc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1O ZINC000293852679 676368075 /nfs/dbraw/zinc/36/80/75/676368075.db2.gz HVFOQXADNXHIEX-UHFFFAOYSA-N 1 0 350.440 1.859 20 10 FDCDRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000296380548 676418162 /nfs/dbraw/zinc/41/81/62/676418162.db2.gz JPQIIDJUURPARC-CRAIPNDOSA-N 1 0 352.500 1.877 20 10 FDCDRO Cn1nnnc1N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000363491812 676957460 /nfs/dbraw/zinc/95/74/60/676957460.db2.gz YCPCLPOMSHJBOB-UHFFFAOYSA-N 1 0 367.251 1.437 20 10 FDCDRO C[C@H]([NH2+][C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1O ZINC000367780630 677495679 /nfs/dbraw/zinc/49/56/79/677495679.db2.gz DMDIALJGQMKLNF-GJZGRUSLSA-N 1 0 369.487 1.084 20 10 FDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1F ZINC000378147076 678704351 /nfs/dbraw/zinc/70/43/51/678704351.db2.gz FGNIOXMIADFJBY-LJQANCHMSA-N 1 0 351.466 1.863 20 10 FDCDRO