smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1nc2ccccn2c1C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000071553670 203100397 /nfs/dbraw/zinc/10/03/97/203100397.db2.gz VOJAIJUATWFPLT-UHFFFAOYSA-N 2 0 329.448 1.562 10 0 EDAERP C[C@@H](CN1Cc2ccc(C[NH+](C)C)cc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000071683883 203103872 /nfs/dbraw/zinc/10/38/72/203103872.db2.gz CBBYDZFRARZSQJ-UZLBHIALSA-N 3 0 346.519 1.532 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000245645948 139082036 /nfs/dbraw/zinc/08/20/36/139082036.db2.gz ZXCVKIZSKAXOQZ-RYQLBKOJSA-N 2 0 339.524 1.835 10 0 EDAERP NNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c[nH+]1 ZINC000159252002 206233559 /nfs/dbraw/zinc/23/35/59/206233559.db2.gz JJHAHWQSWUIJSQ-RKDXNWHRSA-N 2 0 327.230 1.563 10 0 EDAERP C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022704 139244451 /nfs/dbraw/zinc/24/44/51/139244451.db2.gz APXPUSVEQDDWGP-UKRRQHHQSA-N 2 0 344.459 1.178 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184235788 278289453 /nfs/dbraw/zinc/28/94/53/278289453.db2.gz SDWGAUJADOMFSP-INIZCTEOSA-N 2 0 339.524 1.837 10 0 EDAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262430545 281459175 /nfs/dbraw/zinc/45/91/75/281459175.db2.gz SZVAGQHHBDPMAX-LJCCNALRSA-N 2 0 343.471 1.522 10 0 EDAERP CC(C)[NH2+]C[C@H](O)COc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000004655713 440925062 /nfs/dbraw/zinc/92/50/62/440925062.db2.gz XDXQFTJHEQWZBU-HOTGVXAUSA-N 2 0 340.464 1.162 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149636 442183418 /nfs/dbraw/zinc/18/34/18/442183418.db2.gz URYNUGVUEFINPV-GFCCVEGCSA-N 2 0 325.478 1.372 10 0 EDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390905114 447507432 /nfs/dbraw/zinc/50/74/32/447507432.db2.gz XUHFKWFKPZQJTK-QXAKKESOSA-N 2 0 345.487 1.782 10 0 EDAERP COC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000638851599 451710276 /nfs/dbraw/zinc/71/02/76/451710276.db2.gz KNEKPMAWQSWXKX-QRFRQXIXSA-N 2 0 345.487 1.639 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000246934608 536119390 /nfs/dbraw/zinc/11/93/90/536119390.db2.gz BWYAKUQASRYFJV-HOTGVXAUSA-N 2 0 328.501 1.469 10 0 EDAERP C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109742 138247022 /nfs/dbraw/zinc/24/70/22/138247022.db2.gz FILXWMOQHRPUPF-OALUTQOASA-N 2 0 345.487 1.424 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000179853753 138755634 /nfs/dbraw/zinc/75/56/34/138755634.db2.gz CDUWNMHMWJIDLT-OAHLLOKOSA-N 2 0 325.497 1.317 10 0 EDAERP C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237557756 139053995 /nfs/dbraw/zinc/05/39/95/139053995.db2.gz BOCORQAJJWDIKA-KZNAEPCWSA-N 2 0 337.508 1.583 10 0 EDAERP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000246472996 139109558 /nfs/dbraw/zinc/10/95/58/139109558.db2.gz QTUFGBFJCUHNFT-ZACQAIPSSA-N 2 0 338.496 1.365 10 0 EDAERP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)N1CCOCC1 ZINC000261655551 139214856 /nfs/dbraw/zinc/21/48/56/139214856.db2.gz FJOPWJZAORTZFY-BBRMVZONSA-N 2 0 337.851 1.534 10 0 EDAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@@H+]1CCCC[C@H]1C ZINC000262365906 139273618 /nfs/dbraw/zinc/27/36/18/139273618.db2.gz VQSSXYGZVCFMCA-WTTBNOFXSA-N 2 0 333.480 1.102 10 0 EDAERP CN(c1ccccc1C[NH2+]C[C@@H]1CN(C)CCO1)C1CC[NH+](C)CC1 ZINC000133959638 277003051 /nfs/dbraw/zinc/00/30/51/277003051.db2.gz KVXZLMHHTLMXHK-LJQANCHMSA-N 2 0 346.519 1.637 10 0 EDAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261710694 300066051 /nfs/dbraw/zinc/06/60/51/300066051.db2.gz JGOUUWHWPZURQG-WNRNVDISSA-N 2 0 336.524 1.378 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000105862679 441293928 /nfs/dbraw/zinc/29/39/28/441293928.db2.gz YEOZGVBYYQJPPG-CYBMUJFWSA-N 2 0 326.403 1.980 10 0 EDAERP C[NH+](C)CCn1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000173952100 441867593 /nfs/dbraw/zinc/86/75/93/441867593.db2.gz ZXEVWMLWCPEOAT-INIZCTEOSA-N 2 0 344.463 1.869 10 0 EDAERP CCOCCN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174952285 441989008 /nfs/dbraw/zinc/98/90/08/441989008.db2.gz BBUVJPFCCRUSQF-MRXNPFEDSA-N 2 0 325.497 1.676 10 0 EDAERP CC[C@@](C)(O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000162009727 442056011 /nfs/dbraw/zinc/05/60/11/442056011.db2.gz QUAWMMYDWLDPHL-LJQANCHMSA-N 2 0 339.524 1.852 10 0 EDAERP CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[NH+](C)C ZINC000121037212 442168265 /nfs/dbraw/zinc/16/82/65/442168265.db2.gz JFWXQAKOMXLJEO-QGZVFWFLSA-N 2 0 338.540 1.783 10 0 EDAERP CCn1cnnc1[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191587683 442470955 /nfs/dbraw/zinc/47/09/55/442470955.db2.gz BNGYCFOFHWHXCR-GOSISDBHSA-N 2 0 348.539 1.894 10 0 EDAERP O=C(NCCC[NH+]1CCCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192801045 442687408 /nfs/dbraw/zinc/68/74/08/442687408.db2.gz FNEDTLWCSFWBHH-INIZCTEOSA-N 2 0 326.485 1.008 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000246755036 442811034 /nfs/dbraw/zinc/81/10/34/442811034.db2.gz ZOTLVTCRHOXZCI-BZUAXINKSA-N 2 0 338.496 1.364 10 0 EDAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000190926132 443210882 /nfs/dbraw/zinc/21/08/82/443210882.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 2 0 326.481 1.744 10 0 EDAERP CC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCN1CCOC ZINC000191484326 443301430 /nfs/dbraw/zinc/30/14/30/443301430.db2.gz IQZYYINFSSSFIY-IBGZPJMESA-N 2 0 340.556 1.445 10 0 EDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635420 /nfs/dbraw/zinc/63/54/20/453635420.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 2 0 330.520 1.780 10 0 EDAERP [NH3+][C@@H](CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000821858149 593954852 /nfs/dbraw/zinc/95/48/52/593954852.db2.gz SNMZBKMARPZHSY-UONOGXRCSA-N 2 0 334.489 1.741 10 0 EDAERP COC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])c1ccccc1Br ZINC000054022710 214210852 /nfs/dbraw/zinc/21/08/52/214210852.db2.gz AJWJJTQNKQVUQT-SMDDNHRTSA-N 2 0 331.254 1.778 10 0 EDAERP C[NH+]1CCC(Oc2ccc3c(c2)[C@H](C[NH3+])N(C(C)(C)CO)C3)CC1 ZINC000071685054 203103471 /nfs/dbraw/zinc/10/34/71/203103471.db2.gz RUUYDPSFNAAZKG-SFHVURJKSA-N 2 0 333.476 1.746 10 0 EDAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000237895413 139063146 /nfs/dbraw/zinc/06/31/46/139063146.db2.gz YMAYAJZEEVVLPT-DLBZAZTESA-N 2 0 337.508 1.903 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000262273250 139265655 /nfs/dbraw/zinc/26/56/55/139265655.db2.gz NEIQDZPGFKNZRH-KURKYZTESA-N 2 0 345.491 1.200 10 0 EDAERP CCC[NH+]1CCC(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117041840 221026724 /nfs/dbraw/zinc/02/67/24/221026724.db2.gz CQIACOMXFCJKHE-INIZCTEOSA-N 2 0 326.485 1.080 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1CCOC ZINC000117489586 221070041 /nfs/dbraw/zinc/07/00/41/221070041.db2.gz TWOVFWYJKMERMP-HNNXBMFYSA-N 2 0 326.485 1.223 10 0 EDAERP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194148526 273000818 /nfs/dbraw/zinc/00/08/18/273000818.db2.gz ZYHWFKYFHWZRAM-QGZVFWFLSA-N 2 0 339.528 1.188 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)Cc2ccccc2)CC1 ZINC000105862109 274267598 /nfs/dbraw/zinc/26/75/98/274267598.db2.gz OTPOPPNUKJBUPU-QGZVFWFLSA-N 2 0 347.503 1.670 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184590405 276182377 /nfs/dbraw/zinc/18/23/77/276182377.db2.gz SSGULFDKNBVOMU-OALUTQOASA-N 2 0 346.519 1.822 10 0 EDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165974 /nfs/dbraw/zinc/16/59/74/277165974.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 2 0 328.460 1.921 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000117478070 288262771 /nfs/dbraw/zinc/26/27/71/288262771.db2.gz HRUKUFYQTKXNIS-IRXDYDNUSA-N 2 0 340.512 1.613 10 0 EDAERP CCOCCN1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1CC ZINC000168090244 442223021 /nfs/dbraw/zinc/22/30/21/442223021.db2.gz OXRDXFNLKUKAEH-HKUYNNGSSA-N 2 0 345.487 1.833 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377505 442344165 /nfs/dbraw/zinc/34/41/65/442344165.db2.gz YMMGHNNRWIYXBI-MOPGFXCFSA-N 2 0 344.503 1.897 10 0 EDAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171375503 442344558 /nfs/dbraw/zinc/34/45/58/442344558.db2.gz WIACHJSGDJGMBX-QGZVFWFLSA-N 2 0 348.491 1.863 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171903226 442388955 /nfs/dbraw/zinc/38/89/55/442388955.db2.gz AESPLCUELRRDDR-IAGOWNOFSA-N 2 0 334.439 1.918 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000249773216 443004610 /nfs/dbraw/zinc/00/46/10/443004610.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 2 0 339.528 1.042 10 0 EDAERP CN(C(=O)C1([NH3+])CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388568115 447480228 /nfs/dbraw/zinc/48/02/28/447480228.db2.gz BWZPAAAUGSCWDC-QGZVFWFLSA-N 2 0 331.460 1.617 10 0 EDAERP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999201 447693301 /nfs/dbraw/zinc/69/33/01/447693301.db2.gz UGQKLSGRHXLHAF-VBQJREDUSA-N 2 0 327.469 1.288 10 0 EDAERP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)CC1 ZINC000583621155 448452260 /nfs/dbraw/zinc/45/22/60/448452260.db2.gz HJQGTHXJMYMZGS-QFBILLFUSA-N 2 0 347.507 1.651 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107818 451275082 /nfs/dbraw/zinc/27/50/82/451275082.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 2 0 332.492 1.388 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835512 451705512 /nfs/dbraw/zinc/70/55/12/451705512.db2.gz MALUPAJDFNYQCH-AEFFLSMTSA-N 2 0 345.487 1.626 10 0 EDAERP Cc1c([C@@H]2C[NH2+]C[C@H]2c2nc(-c3ccc(C[NH3+])cc3)no2)cnn1C ZINC000656562045 453281261 /nfs/dbraw/zinc/28/12/61/453281261.db2.gz FMCJABRPVPDRGX-JKSUJKDBSA-N 2 0 338.415 1.708 10 0 EDAERP COC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659316128 453712544 /nfs/dbraw/zinc/71/25/44/453712544.db2.gz AMZJOBSFMNWHNU-PKOBYXMFSA-N 2 0 331.460 1.488 10 0 EDAERP Cc1ccncc1[C@@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000168016100 534429267 /nfs/dbraw/zinc/42/92/67/534429267.db2.gz MKSHQNMFEKGENV-CYBMUJFWSA-N 2 0 338.253 1.959 10 0 EDAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236612432 535203994 /nfs/dbraw/zinc/20/39/94/535203994.db2.gz GSCLOXBKZNFFAB-SFHVURJKSA-N 2 0 330.476 1.780 10 0 EDAERP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CCCC2)CC1 ZINC000261796811 536754703 /nfs/dbraw/zinc/75/47/03/536754703.db2.gz NXNLKJORRASYMI-CVEARBPZSA-N 2 0 339.480 1.033 10 0 EDAERP C[C@@H](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000182657214 540133213 /nfs/dbraw/zinc/13/32/13/540133213.db2.gz JELIFJAXJUKQGL-IRXDYDNUSA-N 2 0 340.512 1.397 10 0 EDAERP C[NH+](C)[C@@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072418013 203218852 /nfs/dbraw/zinc/21/88/52/203218852.db2.gz KXGWULQHKQMINQ-ZDUSSCGKSA-N 2 0 332.477 1.523 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(N)c3ccccc3n2)CC1 ZINC000106125515 204188298 /nfs/dbraw/zinc/18/82/98/204188298.db2.gz NAQCENRSEBRPII-AWEZNQCLSA-N 2 0 343.475 1.737 10 0 EDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000262304960 139268390 /nfs/dbraw/zinc/26/83/90/139268390.db2.gz PYNACCGTPOFMAK-XBVQOTNRSA-N 2 0 333.480 1.054 10 0 EDAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)CC(C)C ZINC000117029604 221024465 /nfs/dbraw/zinc/02/44/65/221024465.db2.gz GRCMAEHMDGFTCY-IAGOWNOFSA-N 2 0 342.528 1.715 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CCOC ZINC000117492812 221072628 /nfs/dbraw/zinc/07/26/28/221072628.db2.gz JDJDKKYWKQDVRR-MRXNPFEDSA-N 2 0 340.512 1.613 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000333690230 141358924 /nfs/dbraw/zinc/35/89/24/141358924.db2.gz PRFMRNGKMDSSOR-XKQJLSEDSA-N 2 0 332.448 1.144 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186269950 286284859 /nfs/dbraw/zinc/28/48/59/286284859.db2.gz BASMLFCAMGIVRE-GVDBMIGSSA-N 2 0 326.481 1.397 10 0 EDAERP C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121127766 287368087 /nfs/dbraw/zinc/36/80/87/287368087.db2.gz GRNVEFADGDIFLT-GJZGRUSLSA-N 2 0 328.501 1.109 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000177529421 279325655 /nfs/dbraw/zinc/32/56/55/279325655.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862364 441293691 /nfs/dbraw/zinc/29/36/91/441293691.db2.gz FAZJGZMKLYYYRC-OAHLLOKOSA-N 2 0 344.459 1.219 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121867041 441798728 /nfs/dbraw/zinc/79/87/28/441798728.db2.gz SCXYVCKBVOTCFO-QGZVFWFLSA-N 2 0 348.491 1.779 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000163150801 442147228 /nfs/dbraw/zinc/14/72/28/442147228.db2.gz HZDBURIJQLIGSW-WBVHZDCISA-N 2 0 339.528 1.040 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149486 442183510 /nfs/dbraw/zinc/18/35/10/442183510.db2.gz URYNUGVUEFINPV-LBPRGKRZSA-N 2 0 325.478 1.372 10 0 EDAERP CCOCCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000249280540 442963214 /nfs/dbraw/zinc/96/32/14/442963214.db2.gz MMLGGQJPUVGPNX-LJQANCHMSA-N 2 0 340.556 1.445 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643780290 452631625 /nfs/dbraw/zinc/63/16/25/452631625.db2.gz BTRVGPCOLDARKG-SJLPKXTDSA-N 2 0 331.460 1.345 10 0 EDAERP COC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000643781177 452632537 /nfs/dbraw/zinc/63/25/37/452632537.db2.gz LBWCYASDXKHHIO-WDYCEAGBSA-N 2 0 331.460 1.392 10 0 EDAERP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262349499 536777901 /nfs/dbraw/zinc/77/79/01/536777901.db2.gz HCQDAULKZKSPAP-WMZOPIPTSA-N 2 0 339.524 1.972 10 0 EDAERP CCCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105861537 138302111 /nfs/dbraw/zinc/30/21/11/138302111.db2.gz GBWWHQXNLWIPAY-APWZRJJASA-N 2 0 347.503 1.936 10 0 EDAERP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262207516 139259892 /nfs/dbraw/zinc/25/98/92/139259892.db2.gz IPTAGIWRDQQZPM-QGZVFWFLSA-N 2 0 345.491 1.343 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000117483689 221069715 /nfs/dbraw/zinc/06/97/15/221069715.db2.gz LSNALVKJRXEKAD-HZPDHXFCSA-N 2 0 326.485 1.223 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[NH2+]CC2)cc1 ZINC000333725882 141367011 /nfs/dbraw/zinc/36/70/11/141367011.db2.gz VKALXQUNAMPIGD-SJORKVTESA-N 2 0 332.448 1.146 10 0 EDAERP CC[NH+]1CCN(CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106458073 276195156 /nfs/dbraw/zinc/19/51/56/276195156.db2.gz NEBMLWCNWXMLNZ-IBGZPJMESA-N 2 0 346.519 1.303 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000333673874 295250134 /nfs/dbraw/zinc/25/01/34/295250134.db2.gz NPJAGWAPSPDIAY-DDBAPUKQSA-N 2 0 344.459 1.144 10 0 EDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117033489 441862840 /nfs/dbraw/zinc/86/28/40/441862840.db2.gz GIBRLMCRRKHMPZ-KRWDZBQOSA-N 2 0 334.464 1.220 10 0 EDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117033488 441863203 /nfs/dbraw/zinc/86/32/03/441863203.db2.gz GIBRLMCRRKHMPZ-QGZVFWFLSA-N 2 0 334.464 1.220 10 0 EDAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000173749073 441833950 /nfs/dbraw/zinc/83/39/50/441833950.db2.gz AEOGZMGYNDILIL-IBGZPJMESA-N 2 0 342.487 1.749 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000163126729 442145586 /nfs/dbraw/zinc/14/55/86/442145586.db2.gz ZOHJHTJGQCQYSD-IBGZPJMESA-N 2 0 345.487 1.667 10 0 EDAERP CCOCCN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1CC ZINC000168080929 442222930 /nfs/dbraw/zinc/22/29/30/442222930.db2.gz MILKMFDIWDIWLI-XSLAGTTESA-N 2 0 337.508 1.866 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377493 442344430 /nfs/dbraw/zinc/34/44/30/442344430.db2.gz YMMGHNNRWIYXBI-OALUTQOASA-N 2 0 344.503 1.897 10 0 EDAERP C(=C/CN1CC[NH+]2CCCC[C@H]2C1)\CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177766336 442381363 /nfs/dbraw/zinc/38/13/63/442381363.db2.gz AMJUNWGTNDECMS-VGIQHARFSA-N 2 0 332.536 1.883 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000182896875 442843687 /nfs/dbraw/zinc/84/36/87/442843687.db2.gz ZJGMHRCOOBORDE-MSOLQXFVSA-N 2 0 346.475 1.099 10 0 EDAERP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248431850 442891191 /nfs/dbraw/zinc/89/11/91/442891191.db2.gz BVCZFMGETJVATD-IRXDYDNUSA-N 2 0 340.512 1.349 10 0 EDAERP COCC[NH+]1CCC(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000195143749 442989883 /nfs/dbraw/zinc/98/98/83/442989883.db2.gz UUUDGJIBQFVGEU-MRXNPFEDSA-N 2 0 328.501 1.373 10 0 EDAERP [NH3+]CCCCCNC(=O)CCCCCCC(=O)NCCCCC[NH3+] ZINC000213582172 443053704 /nfs/dbraw/zinc/05/37/04/443053704.db2.gz GOQIIOMNNFIQMP-UHFFFAOYSA-N 2 0 342.528 1.817 10 0 EDAERP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000638087362 451251286 /nfs/dbraw/zinc/25/12/86/451251286.db2.gz RPQFSOSCVCKOFT-MSOLQXFVSA-N 2 0 330.476 1.142 10 0 EDAERP COC[C@@]1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659248324 453684097 /nfs/dbraw/zinc/68/40/97/453684097.db2.gz WRHJPUDPSZALEM-AZUAARDMSA-N 2 0 345.487 1.878 10 0 EDAERP COCC[NH2+]CC(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000237138180 536893507 /nfs/dbraw/zinc/89/35/07/536893507.db2.gz UEHIKOGQIYBMMO-IRXDYDNUSA-N 2 0 347.503 1.837 10 0 EDAERP CC[NH+]1CCN(CCCN2Cc3c(cccc3OC)[C@@H]2C[NH3+])CC1 ZINC000071683166 203103815 /nfs/dbraw/zinc/10/38/15/203103815.db2.gz BRFQEWLWOAFLNN-SFHVURJKSA-N 2 0 332.492 1.538 10 0 EDAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072409769 203217790 /nfs/dbraw/zinc/21/77/90/203217790.db2.gz SMXOIDZIYMDNTD-OAHLLOKOSA-N 2 0 333.480 1.265 10 0 EDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246423623 139108038 /nfs/dbraw/zinc/10/80/38/139108038.db2.gz MHZYMYMTYBBYNA-OAGGEKHMSA-N 2 0 340.512 1.373 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000247277581 139143459 /nfs/dbraw/zinc/14/34/59/139143459.db2.gz KEGHJEBEOWFQCU-LSDHHAIUSA-N 2 0 326.485 1.125 10 0 EDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000117448679 221065852 /nfs/dbraw/zinc/06/58/52/221065852.db2.gz ZZCCVHVNGWHOSK-DLBZAZTESA-N 2 0 340.512 1.471 10 0 EDAERP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000333420951 141315397 /nfs/dbraw/zinc/31/53/97/141315397.db2.gz SNDQYMFIURNRDJ-HOTGVXAUSA-N 2 0 338.496 1.400 10 0 EDAERP C[C@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](C[NH3+])C1 ZINC000333535768 141332974 /nfs/dbraw/zinc/33/29/74/141332974.db2.gz MYRUDHNOKCSJIZ-LBZRDPAVSA-N 2 0 334.508 1.909 10 0 EDAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000104778566 441206438 /nfs/dbraw/zinc/20/64/38/441206438.db2.gz HPFAUSROHXMVQZ-QZTJIDSGSA-N 2 0 348.491 1.699 10 0 EDAERP c1ccc(P2[NH2+]C[C@@H]3CCCN32)c(P2[NH2+]C[C@@H]3CCCN32)c1 ZINC000086860349 441474274 /nfs/dbraw/zinc/47/42/74/441474274.db2.gz XOKWQYDPURQVJL-KAJWEHKCSA-N 2 0 334.344 1.696 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000117022286 441863425 /nfs/dbraw/zinc/86/34/25/441863425.db2.gz DEVLQSUMQVQFBW-KGLIPLIRSA-N 2 0 340.493 1.323 10 0 EDAERP CC(C)N(C)C(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000175192150 442014164 /nfs/dbraw/zinc/01/41/64/442014164.db2.gz XIYGXEAKEZHQFV-MRXNPFEDSA-N 2 0 335.496 1.535 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1CC ZINC000133759969 442432856 /nfs/dbraw/zinc/43/28/56/442432856.db2.gz CXZWWGPVOSUWKC-CABCVRRESA-N 2 0 329.510 1.041 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246499154 442787169 /nfs/dbraw/zinc/78/71/69/442787169.db2.gz RZEAFRRSQDAPBU-WMLDXEAASA-N 2 0 346.475 1.532 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247083521 442834390 /nfs/dbraw/zinc/83/43/90/442834390.db2.gz JGXBXBMZKIKTPF-BRWVUGGUSA-N 2 0 340.512 1.371 10 0 EDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000245830252 443251694 /nfs/dbraw/zinc/25/16/94/443251694.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 2 0 330.476 1.997 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000191495501 443303120 /nfs/dbraw/zinc/30/31/20/443303120.db2.gz KAXFBUBHGLHDJX-SFHVURJKSA-N 2 0 334.512 1.406 10 0 EDAERP CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000262704316 535676739 /nfs/dbraw/zinc/67/67/39/535676739.db2.gz KYFHDEKDGJRDEI-INIZCTEOSA-N 2 0 340.512 1.201 10 0 EDAERP O=C(C[NH2+]C1CC1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000154655112 697137558 /nfs/dbraw/zinc/13/75/58/697137558.db2.gz JVUFKJIBIPTZEX-SFHVURJKSA-N 2 0 331.460 1.300 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000179856731 138755605 /nfs/dbraw/zinc/75/56/05/138755605.db2.gz ZXCVKIZSKAXOQZ-SZMVWBNQSA-N 2 0 339.524 1.835 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000247021319 139131795 /nfs/dbraw/zinc/13/17/95/139131795.db2.gz HRUKUFYQTKXNIS-SJORKVTESA-N 2 0 340.512 1.613 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000105862677 206454700 /nfs/dbraw/zinc/45/47/00/206454700.db2.gz YEOZGVBYYQJPPG-ZDUSSCGKSA-N 2 0 326.403 1.980 10 0 EDAERP C[N@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000054764255 441595579 /nfs/dbraw/zinc/59/55/79/441595579.db2.gz JPPRRTPCXAHRBR-SFHVURJKSA-N 2 0 348.491 1.264 10 0 EDAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170874732 442281514 /nfs/dbraw/zinc/28/15/14/442281514.db2.gz STMYFDSCERXESV-QGZVFWFLSA-N 2 0 345.491 1.915 10 0 EDAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170874740 442281690 /nfs/dbraw/zinc/28/16/90/442281690.db2.gz GPLQXMCJXIBYCR-MRXNPFEDSA-N 2 0 345.491 1.996 10 0 EDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000180757050 442656592 /nfs/dbraw/zinc/65/65/92/442656592.db2.gz UCXZCXHXPSSSII-IAGOWNOFSA-N 2 0 348.491 1.215 10 0 EDAERP CCC[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000136255820 442656928 /nfs/dbraw/zinc/65/69/28/442656928.db2.gz WZZGRRARLJALFI-INIZCTEOSA-N 2 0 333.480 1.180 10 0 EDAERP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247119511 442837195 /nfs/dbraw/zinc/83/71/95/442837195.db2.gz JMSZAMVGFGLMOU-JKSUJKDBSA-N 2 0 327.513 1.562 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248905248 442935979 /nfs/dbraw/zinc/93/59/79/442935979.db2.gz BASMLFCAMGIVRE-BRWVUGGUSA-N 2 0 326.481 1.397 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000191495518 443303474 /nfs/dbraw/zinc/30/34/74/443303474.db2.gz KAXFBUBHGLHDJX-GOSISDBHSA-N 2 0 334.512 1.406 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616635257 450456264 /nfs/dbraw/zinc/45/62/64/450456264.db2.gz BECBEVYGQUUREX-INIZCTEOSA-N 2 0 334.464 1.963 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741189 453466327 /nfs/dbraw/zinc/46/63/27/453466327.db2.gz DIXSCJHJWBKCGZ-FGTMMUONSA-N 2 0 330.476 1.046 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662740986 453467833 /nfs/dbraw/zinc/46/78/33/453467833.db2.gz BMHZJBGTHDXBNI-MOPGFXCFSA-N 2 0 344.503 1.309 10 0 EDAERP COC[C@@]1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659316126 453712691 /nfs/dbraw/zinc/71/26/91/453712691.db2.gz AMZJOBSFMNWHNU-IEBWSBKVSA-N 2 0 331.460 1.488 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1CCOC 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QZKOOEFIMWKZPK-UHFFFAOYSA-N 2 0 332.371 1.598 10 0 in-vivo EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000247438574 139148527 /nfs/dbraw/zinc/14/85/27/139148527.db2.gz RVGPOELVIICDRO-NVXWUHKLSA-N 2 0 338.496 1.221 10 0 EDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000261807535 139227780 /nfs/dbraw/zinc/22/77/80/139227780.db2.gz NBAHYSMLEUBVHV-OEUWWYETSA-N 2 0 337.414 1.902 10 0 EDAERP C[C@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022705 139244496 /nfs/dbraw/zinc/24/44/96/139244496.db2.gz APXPUSVEQDDWGP-ZFWWWQNUSA-N 2 0 344.459 1.178 10 0 EDAERP CC(C)[N@H+]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000333472100 141322868 /nfs/dbraw/zinc/32/28/68/141322868.db2.gz AKZVZDWMKRVPHU-OWLYRPNTSA-N 2 0 330.476 1.851 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000333679463 141356019 /nfs/dbraw/zinc/35/60/19/141356019.db2.gz OOONEACIGLMROE-XOKHGSTOSA-N 2 0 332.448 1.144 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000246333342 287226700 /nfs/dbraw/zinc/22/67/00/287226700.db2.gz ONEAETRCTVIGDD-SJORKVTESA-N 2 0 338.496 1.365 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000117022294 441862763 /nfs/dbraw/zinc/86/27/63/441862763.db2.gz DEVLQSUMQVQFBW-UONOGXRCSA-N 2 0 340.493 1.323 10 0 EDAERP Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000117039875 441863360 /nfs/dbraw/zinc/86/33/60/441863360.db2.gz CJMIYRLGGKAHFV-ZWKOTPCHSA-N 2 0 348.491 1.570 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000121190344 442189858 /nfs/dbraw/zinc/18/98/58/442189858.db2.gz XBDYVQOSZITPAP-WBVHZDCISA-N 2 0 340.512 1.515 10 0 EDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000170830992 442270709 /nfs/dbraw/zinc/27/07/09/442270709.db2.gz XHGXFGNUZXFRRY-CRAIPNDOSA-N 2 0 330.476 1.779 10 0 EDAERP 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ZINC000171899156 529889801 /nfs/dbraw/zinc/88/98/01/529889801.db2.gz YPIAYCDXDMALIZ-GOSISDBHSA-N 2 0 330.476 1.998 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000245906315 139089136 /nfs/dbraw/zinc/08/91/36/139089136.db2.gz UCXZCXHXPSSSII-SJORKVTESA-N 2 0 348.491 1.215 10 0 EDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)([NH+](C)C)C1 ZINC000247063544 139133777 /nfs/dbraw/zinc/13/37/77/139133777.db2.gz KGKYDIXKEJSMSW-SOLBZPMBSA-N 2 0 340.512 1.469 10 0 EDAERP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261996254 139242633 /nfs/dbraw/zinc/24/26/33/139242633.db2.gz NEMOLOPMZYVFQC-WBVHZDCISA-N 2 0 349.500 1.989 10 0 EDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000117490749 221070602 /nfs/dbraw/zinc/07/06/02/221070602.db2.gz GVLFHYPYXSDABE-JKSUJKDBSA-N 2 0 328.501 1.469 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377488 227047731 /nfs/dbraw/zinc/04/77/31/227047731.db2.gz YMMGHNNRWIYXBI-RBUKOAKNSA-N 2 0 344.503 1.897 10 0 EDAERP C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247218632 278182966 /nfs/dbraw/zinc/18/29/66/278182966.db2.gz QJUDXYSRWUCNNU-QFBILLFUSA-N 2 0 347.503 1.841 10 0 EDAERP CC(C)N(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000105862076 279272385 /nfs/dbraw/zinc/27/23/85/279272385.db2.gz STUYKAJIDFXPLV-INIZCTEOSA-N 2 0 327.513 1.656 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000245418716 279298183 /nfs/dbraw/zinc/29/81/83/279298183.db2.gz LDWHOJNSFOZCTP-HZPDHXFCSA-N 2 0 326.485 1.223 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000245436217 281198925 /nfs/dbraw/zinc/19/89/25/281198925.db2.gz QWPNILGPUCVPJM-ROUUACIJSA-N 2 0 336.524 1.534 10 0 EDAERP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000157678991 298944568 /nfs/dbraw/zinc/94/45/68/298944568.db2.gz DXNHMGHHQQVDHV-NSHDSACASA-N 2 0 328.254 1.687 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000104898341 441220160 /nfs/dbraw/zinc/22/01/60/441220160.db2.gz XSVDUDSVGGZJSJ-FUHWJXTLSA-N 2 0 331.460 1.347 10 0 EDAERP CC(C)S(=O)(=O)CCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000120053618 442000708 /nfs/dbraw/zinc/00/07/08/442000708.db2.gz BRYFAYUARGNDRL-OAHLLOKOSA-N 2 0 334.526 1.224 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)CCCOC ZINC000175737955 442114977 /nfs/dbraw/zinc/11/49/77/442114977.db2.gz AXPGASWNCVMJBD-JKSUJKDBSA-N 2 0 326.485 1.223 10 0 EDAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000163150921 442147485 /nfs/dbraw/zinc/14/74/85/442147485.db2.gz HZDBURIJQLIGSW-RDJZCZTQSA-N 2 0 339.528 1.040 10 0 EDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000162577690 442104897 /nfs/dbraw/zinc/10/48/97/442104897.db2.gz HPZDPACUCRQRRH-LJQANCHMSA-N 2 0 338.455 1.973 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000152383728 442206042 /nfs/dbraw/zinc/20/60/42/442206042.db2.gz VAQCUIPPZYJOJE-SJORKVTESA-N 2 0 340.512 1.253 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176898711 442269308 /nfs/dbraw/zinc/26/93/08/442269308.db2.gz PXTBGAOYADNUQY-QGZVFWFLSA-N 2 0 346.475 1.629 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@@H](C)O ZINC000181744273 442714352 /nfs/dbraw/zinc/71/43/52/442714352.db2.gz UPBVTNZDDWRUIS-ZACQAIPSSA-N 2 0 340.512 1.347 10 0 EDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246699769 442805510 /nfs/dbraw/zinc/80/55/10/442805510.db2.gz FVGPVHNXJJPNMZ-DLBZAZTESA-N 2 0 340.512 1.397 10 0 EDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000193720388 442773249 /nfs/dbraw/zinc/77/32/49/442773249.db2.gz QCJPDIIRBWOLKJ-ZACQAIPSSA-N 2 0 340.512 1.253 10 0 EDAERP COC(=O)c1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179514848 534290333 /nfs/dbraw/zinc/29/03/33/534290333.db2.gz CABRXNIBPMAGIJ-HNNXBMFYSA-N 2 0 334.460 1.998 10 0 EDAERP CC[C@@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000246519141 535832698 /nfs/dbraw/zinc/83/26/98/535832698.db2.gz RDMORWYKEKDSRO-IXDOHACOSA-N 2 0 325.497 1.581 10 0 EDAERP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C[NH2+]C1CC1 ZINC000182513351 700857276 /nfs/dbraw/zinc/85/72/76/700857276.db2.gz BTUGZUKNRLKGQM-LJQANCHMSA-N 2 0 345.487 1.642 10 0 EDAERP C[NH2+][C@@H](Cc1ccc(Br)cn1)C[C@@H]1C[N@H+](C)CCN1C ZINC000167996887 530042610 /nfs/dbraw/zinc/04/26/10/530042610.db2.gz QOZSMJNTFDOIFS-LSDHHAIUSA-N 2 0 341.297 1.611 10 0 EDAERP C[N@H+](Cc1ccc(-c2nc(C[NH3+])cc(=O)[nH]2)cc1)Cc1ccccn1 ZINC000023399105 212375940 /nfs/dbraw/zinc/37/59/40/212375940.db2.gz COLLHXWOUAZPOG-UHFFFAOYSA-N 2 0 335.411 1.923 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000049560669 214018626 /nfs/dbraw/zinc/01/86/26/214018626.db2.gz WVTRQFPDBJJCDG-GFCCVEGCSA-N 2 0 333.523 1.504 10 0 EDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000111808071 220194489 /nfs/dbraw/zinc/19/44/89/220194489.db2.gz OHYOBDSBWOEEOP-QZTJIDSGSA-N 2 0 348.491 1.699 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000247197794 139139956 /nfs/dbraw/zinc/13/99/56/139139956.db2.gz BYQSSIXKDVONJW-CABCVRRESA-N 2 0 334.464 1.667 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000247473896 139149808 /nfs/dbraw/zinc/14/98/08/139149808.db2.gz VNGGDBRTTPVQHB-DLBZAZTESA-N 2 0 337.508 1.866 10 0 EDAERP C[C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C[NH3+])C1 ZINC000261864772 139232494 /nfs/dbraw/zinc/23/24/94/139232494.db2.gz RQEIBQPMKSPBSW-GOEBONIOSA-N 2 0 331.464 1.033 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117477599 221068591 /nfs/dbraw/zinc/06/85/91/221068591.db2.gz BWYAKUQASRYFJV-CVEARBPZSA-N 2 0 328.501 1.469 10 0 EDAERP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000166724753 226167796 /nfs/dbraw/zinc/16/77/96/226167796.db2.gz 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282197051 /nfs/dbraw/zinc/19/70/51/282197051.db2.gz RQRGUHABMQPFSZ-QZTJIDSGSA-N 2 0 330.476 1.997 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186123668 285235238 /nfs/dbraw/zinc/23/52/38/285235238.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 2 0 339.528 1.138 10 0 EDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117038813 221027045 /nfs/dbraw/zinc/02/70/45/221027045.db2.gz RKUXHCZGHAOCIX-YYIAUSFCSA-N 2 0 340.512 1.325 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000333672059 286378787 /nfs/dbraw/zinc/37/87/87/286378787.db2.gz NFRJUWDSHBBVDZ-NKKGCODLSA-N 2 0 332.448 1.272 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000079391985 287300359 /nfs/dbraw/zinc/30/03/59/287300359.db2.gz MQEUGHHLUBSAGN-MRXNPFEDSA-N 2 0 328.501 1.374 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C[C@H]1CCC[NH2+]1 ZINC000164171174 226050690 /nfs/dbraw/zinc/05/06/90/226050690.db2.gz YLGWOOQIIHPSRJ-SNVBAGLBSA-N 2 0 329.242 1.532 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC(C)CC2)CC1 ZINC000105862225 278395041 /nfs/dbraw/zinc/39/50/41/278395041.db2.gz SNNCUXXVNYSSNR-MRXNPFEDSA-N 2 0 325.497 1.270 10 0 EDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176437252 279263474 /nfs/dbraw/zinc/26/34/74/279263474.db2.gz LVCRMFFFJMDREU-NVXWUHKLSA-N 2 0 325.497 1.412 10 0 EDAERP Cc1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862137 441292909 /nfs/dbraw/zinc/29/29/09/441292909.db2.gz CXAQKVWITLNOLR-MRXNPFEDSA-N 2 0 333.476 1.958 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000116788785 441845324 /nfs/dbraw/zinc/84/53/24/441845324.db2.gz CLOGRYHHWLLDNM-ZWKOTPCHSA-N 2 0 331.460 1.440 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175865509 442137654 /nfs/dbraw/zinc/13/76/54/442137654.db2.gz IMDUZXVVKHTMOW-DLBZAZTESA-N 2 0 340.512 1.326 10 0 EDAERP COc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000178720065 442462440 /nfs/dbraw/zinc/46/24/40/442462440.db2.gz NGOHPHLPJHSWFL-GJZGRUSLSA-N 2 0 335.448 1.379 10 0 EDAERP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000248566049 442900888 /nfs/dbraw/zinc/90/08/88/442900888.db2.gz BRMFZFOLHTXNOT-ZACQAIPSSA-N 2 0 340.512 1.205 10 0 EDAERP CCCCOC[C@H](O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195173768 442993633 /nfs/dbraw/zinc/99/36/33/442993633.db2.gz LETXFBXISAUSKC-CEXWTWQISA-N 2 0 341.540 1.654 10 0 EDAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499304 321294239 /nfs/dbraw/zinc/29/42/39/321294239.db2.gz FYJBEFJFNRFGQC-QUCCMNQESA-N 3 0 330.520 1.782 10 0 EDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391000004 447507687 /nfs/dbraw/zinc/50/76/87/447507687.db2.gz QFTUIQPUJPRVRP-PKOBYXMFSA-N 2 0 344.503 1.309 10 0 EDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000168896864 528665411 /nfs/dbraw/zinc/66/54/11/528665411.db2.gz LISCCSXTUIVHCP-NCOADZHNSA-N 2 0 325.497 1.757 10 0 EDAERP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1CC1CC1)C2 ZINC000888097148 591028219 /nfs/dbraw/zinc/02/82/19/591028219.db2.gz CKDMXGDPBILQJD-AKHDSKFASA-N 2 0 332.492 1.862 10 0 EDAERP Cc1ccc(NCCCNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)nc1 ZINC000072421651 216210364 /nfs/dbraw/zinc/21/03/64/216210364.db2.gz POHCWZXZSRHQSA-INIZCTEOSA-N 2 0 345.491 1.382 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000245514772 139077633 /nfs/dbraw/zinc/07/76/33/139077633.db2.gz PQUSIUMUVHWCHJ-OWCLPIDISA-N 2 0 331.464 1.688 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000247038267 139132735 /nfs/dbraw/zinc/13/27/35/139132735.db2.gz HZDBURIJQLIGSW-DOTOQJQBSA-N 2 0 339.528 1.040 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@H]2CCC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000247086399 139134902 /nfs/dbraw/zinc/13/49/02/139134902.db2.gz LSNALVKJRXEKAD-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP Cc1c(F)cccc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091635386 218036502 /nfs/dbraw/zinc/03/65/02/218036502.db2.gz SKDWNGUQYVTFJW-RTBURBONSA-N 2 0 349.494 1.812 10 0 EDAERP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000261986284 139241931 /nfs/dbraw/zinc/24/19/31/139241931.db2.gz CMHPCBBQLBPENJ-KRWDZBQOSA-N 2 0 330.476 1.015 10 0 EDAERP C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1C[NH2+]C1 ZINC000262411437 139277153 /nfs/dbraw/zinc/27/71/53/139277153.db2.gz QPCDLMLMYDEBPN-AWEZNQCLSA-N 2 0 331.460 1.685 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000177424281 285272593 /nfs/dbraw/zinc/27/25/93/285272593.db2.gz OXOULEJRHMJLHO-DLBZAZTESA-N 2 0 325.497 1.722 10 0 EDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117031987 221025272 /nfs/dbraw/zinc/02/52/72/221025272.db2.gz FGQJHGSPKNPCDL-IXDOHACOSA-N 2 0 340.512 1.326 10 0 EDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117040876 221026360 /nfs/dbraw/zinc/02/63/60/221026360.db2.gz HBDCLJHHNZSOBC-GOSISDBHSA-N 2 0 348.491 1.610 10 0 EDAERP Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000117039878 221026820 /nfs/dbraw/zinc/02/68/20/221026820.db2.gz CJMIYRLGGKAHFV-ROUUACIJSA-N 2 0 348.491 1.570 10 0 EDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132347211 287523397 /nfs/dbraw/zinc/52/33/97/287523397.db2.gz NGQZCUNYNYNLQR-GJZGRUSLSA-N 2 0 326.485 1.221 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000194142767 273000802 /nfs/dbraw/zinc/00/08/02/273000802.db2.gz WGQLMAFTGUVADG-KRWDZBQOSA-N 2 0 348.491 1.911 10 0 EDAERP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333664157 296993229 /nfs/dbraw/zinc/99/32/29/296993229.db2.gz MAFQJCBMIIBZEL-INMHGKMJSA-N 2 0 338.496 1.127 10 0 EDAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000075829007 441556614 /nfs/dbraw/zinc/55/66/14/441556614.db2.gz KUVSBYPBFXHYKV-LJQANCHMSA-N 2 0 333.476 1.284 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000114834393 441688539 /nfs/dbraw/zinc/68/85/39/441688539.db2.gz XXQMNLCFNQSTCK-QZTJIDSGSA-N 2 0 330.476 1.997 10 0 EDAERP CCC[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000161837476 442036837 /nfs/dbraw/zinc/03/68/37/442036837.db2.gz YUZLTBKKVUPAKO-CQSZACIVSA-N 2 0 348.447 1.825 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000248458722 442894200 /nfs/dbraw/zinc/89/42/00/442894200.db2.gz QOZXFYXHIZHZSJ-GVDBMIGSSA-N 2 0 342.528 1.449 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000246183246 443276586 /nfs/dbraw/zinc/27/65/86/443276586.db2.gz HNMBMZOEEONFPV-HZPDHXFCSA-N 2 0 342.528 1.715 10 0 EDAERP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000183038687 534461607 /nfs/dbraw/zinc/46/16/07/534461607.db2.gz RUMYQWRUOLLSAM-SFHVURJKSA-N 2 0 331.460 1.572 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000333690226 536943928 /nfs/dbraw/zinc/94/39/28/536943928.db2.gz PRFMRNGKMDSSOR-IAOVAPTHSA-N 2 0 332.448 1.144 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275455 139190231 /nfs/dbraw/zinc/19/02/31/139190231.db2.gz CVJSMLCYPJOSRA-ROUUACIJSA-N 2 0 330.476 1.186 10 0 EDAERP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000166675998 226166566 /nfs/dbraw/zinc/16/65/66/226166566.db2.gz IOGQFISGKXKMSB-MSOLQXFVSA-N 2 0 331.460 1.402 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000105174536 441241394 /nfs/dbraw/zinc/24/13/94/441241394.db2.gz LFENBZRJIXAHGF-MRXNPFEDSA-N 2 0 339.528 1.138 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000140430395 441838560 /nfs/dbraw/zinc/83/85/60/441838560.db2.gz QOZIAYSOALFRDZ-APWZRJJASA-N 2 0 337.508 1.602 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710506 442711940 /nfs/dbraw/zinc/71/19/40/442711940.db2.gz ZDPNYQBGBSZVRO-GJZGRUSLSA-N 2 0 340.512 1.203 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246464053 442782666 /nfs/dbraw/zinc/78/26/66/442782666.db2.gz PLQJXQVZCPZXOT-SJORKVTESA-N 2 0 340.512 1.326 10 0 EDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248464216 442895319 /nfs/dbraw/zinc/89/53/19/442895319.db2.gz YDXWYDSLVMMRKL-CVEARBPZSA-N 2 0 342.528 1.451 10 0 EDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390952353 447508369 /nfs/dbraw/zinc/50/83/69/447508369.db2.gz XYEAZHLERJQKCU-GBESFXJTSA-N 2 0 345.487 1.769 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638856869 451711946 /nfs/dbraw/zinc/71/19/46/451711946.db2.gz VFPLVOYBWQZGKK-NJAFHUGGSA-N 2 0 331.460 1.107 10 0 EDAERP CC(C)[C@H]([NH3+])CC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164639314 529039539 /nfs/dbraw/zinc/03/95/39/529039539.db2.gz UWEWRQDOFFDRJP-LLVKDONJSA-N 2 0 331.258 1.763 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000333501174 536943669 /nfs/dbraw/zinc/94/36/69/536943669.db2.gz FLVZEACAKXIGPB-IAGOWNOFSA-N 2 0 332.448 1.273 10 0 EDAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])c1cncc(Br)c1 ZINC000166139696 529908386 /nfs/dbraw/zinc/90/83/86/529908386.db2.gz DOZBTAIBEYTQHB-CQSZACIVSA-N 2 0 327.270 1.872 10 0 EDAERP CC(C)Cn1cncc1CNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072479508 216258307 /nfs/dbraw/zinc/25/83/07/216258307.db2.gz VSHPTHXTHFVGIN-MRXNPFEDSA-N 2 0 333.480 1.229 10 0 EDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706566 139297730 /nfs/dbraw/zinc/29/77/30/139297730.db2.gz MNGVYBWAOONMIH-WBVHZDCISA-N 2 0 327.513 1.957 10 0 EDAERP NC(=[NH2+])c1ccc2[nH]c(CCc3nc4cc(C(N)=[NH2+])ccc4[nH]3)nc2c1 ZINC000005117258 210392702 /nfs/dbraw/zinc/39/27/02/210392702.db2.gz KIYLEUCIWFUYOC-UHFFFAOYSA-N 2 0 346.398 1.793 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000117025553 221024340 /nfs/dbraw/zinc/02/43/40/221024340.db2.gz SLIRTKSQFHKUJA-HNNXBMFYSA-N 2 0 326.485 1.223 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000164256446 226059800 /nfs/dbraw/zinc/05/98/00/226059800.db2.gz FBTLQFJTSDJUPX-CYBMUJFWSA-N 2 0 329.242 1.390 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000164364294 226066495 /nfs/dbraw/zinc/06/64/95/226066495.db2.gz TYCGUJIXMMYNQH-PWSUYJOCSA-N 2 0 343.269 1.907 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000164427777 226072597 /nfs/dbraw/zinc/07/25/97/226072597.db2.gz SHPCVSLVDXADRF-VHSXEESVSA-N 2 0 327.226 1.293 10 0 EDAERP C[C@H]([NH3+])CCCC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164675128 226091295 /nfs/dbraw/zinc/09/12/95/226091295.db2.gz YIIUNSROYMIZDC-JTQLQIEISA-N 2 0 331.258 1.907 10 0 EDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000166133074 226148945 /nfs/dbraw/zinc/14/89/45/226148945.db2.gz HITJUWPVHKMCJJ-KBPBESRZSA-N 2 0 327.270 1.870 10 0 EDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000333112012 276150165 /nfs/dbraw/zinc/15/01/65/276150165.db2.gz GQRPIENJZPSXDN-DLBZAZTESA-N 2 0 333.480 1.557 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000176849363 442262855 /nfs/dbraw/zinc/26/28/55/442262855.db2.gz JGXBXBMZKIKTPF-ZACQAIPSSA-N 2 0 340.512 1.371 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000171198146 442326170 /nfs/dbraw/zinc/32/61/70/442326170.db2.gz ZTOPGIYXTUMLAD-QGZVFWFLSA-N 2 0 342.528 1.763 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171663271 442367443 /nfs/dbraw/zinc/36/74/43/442367443.db2.gz ZKOJWLUOVRZMKZ-RBUKOAKNSA-N 2 0 347.503 1.632 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000191554781 442463504 /nfs/dbraw/zinc/46/35/04/442463504.db2.gz LRTPFJDXYQSITJ-LJQANCHMSA-N 2 0 332.492 1.951 10 0 EDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246553826 442791918 /nfs/dbraw/zinc/79/19/18/442791918.db2.gz WFISJQDXWHEQOS-UAGQMJEPSA-N 2 0 325.497 1.625 10 0 EDAERP C[C@H](CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182675756 442804630 /nfs/dbraw/zinc/80/46/30/442804630.db2.gz FZMUCCJMCUTUEW-CVEARBPZSA-N 2 0 326.485 1.223 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248628007 442909858 /nfs/dbraw/zinc/90/98/58/442909858.db2.gz ONGIYDWTAGYAFY-HRCADAONSA-N 2 0 328.501 1.059 10 0 EDAERP [NH3+]CCOCCOCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000209504960 443050429 /nfs/dbraw/zinc/05/04/29/443050429.db2.gz MLPNFYFIANCKRA-QGZVFWFLSA-N 2 0 348.443 1.161 10 0 EDAERP FC(F)(F)COCCN(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261919378 443174537 /nfs/dbraw/zinc/17/45/37/443174537.db2.gz USWXPKWIWNIRSL-AWEZNQCLSA-N 2 0 332.370 2.000 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000191486301 443301214 /nfs/dbraw/zinc/30/12/14/443301214.db2.gz RXTXFZATRDTDGK-GOSISDBHSA-N 2 0 335.496 1.000 10 0 EDAERP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638803183 451696106 /nfs/dbraw/zinc/69/61/06/451696106.db2.gz HEDDIJIYIZEKFP-PKOBYXMFSA-N 2 0 331.460 1.393 10 0 EDAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000263147942 535913536 /nfs/dbraw/zinc/91/35/36/535913536.db2.gz CVPGMGGPRUFSJW-CQSZACIVSA-N 2 0 331.420 1.253 10 0 EDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164111991 529417835 /nfs/dbraw/zinc/41/78/35/529417835.db2.gz JXZGZGBLJCSODP-KOLCDFICSA-N 2 0 331.258 1.763 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000114834392 282261381 /nfs/dbraw/zinc/26/13/81/282261381.db2.gz XXQMNLCFNQSTCK-ROUUACIJSA-N 2 0 330.476 1.997 10 0 EDAERP [NH3+]C1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CCC1 ZINC000067695413 215188250 /nfs/dbraw/zinc/18/82/50/215188250.db2.gz RYBQQGHJPMOMPN-CYBMUJFWSA-N 2 0 343.431 1.432 10 0 EDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000111883511 220216906 /nfs/dbraw/zinc/21/69/06/220216906.db2.gz UEQFXZBYEOUVGP-CVEARBPZSA-N 2 0 326.485 1.007 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000247484205 139150139 /nfs/dbraw/zinc/15/01/39/139150139.db2.gz WKDXBHBAFZIDRO-MWDXBVQZSA-N 2 0 340.512 1.514 10 0 EDAERP C[C@@H]1C[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000106456251 441344736 /nfs/dbraw/zinc/34/47/36/441344736.db2.gz JUNIRJZRUWUDEK-ZHALLVOQSA-N 2 0 347.503 1.775 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171663264 442367655 /nfs/dbraw/zinc/36/76/55/442367655.db2.gz ZKOJWLUOVRZMKZ-RTBURBONSA-N 2 0 347.503 1.632 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000248452908 442893357 /nfs/dbraw/zinc/89/33/57/442893357.db2.gz KVIPAICDLQVNQV-GVDBMIGSSA-N 2 0 340.512 1.205 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183230462 442907904 /nfs/dbraw/zinc/90/79/04/442907904.db2.gz ZPEPWBHMLPMYGV-ZBFHGGJFSA-N 2 0 334.464 1.481 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581822 443043749 /nfs/dbraw/zinc/04/37/49/443043749.db2.gz CVJSMLCYPJOSRA-QZTJIDSGSA-N 2 0 330.476 1.186 10 0 EDAERP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999200 447693459 /nfs/dbraw/zinc/69/34/59/447693459.db2.gz UGQKLSGRHXLHAF-JJRVBVJISA-N 2 0 327.469 1.288 10 0 EDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283541 453636151 /nfs/dbraw/zinc/63/61/51/453636151.db2.gz PMZOPSZLXWVEDV-DFQSSKMNSA-N 2 0 330.520 1.780 10 0 EDAERP CC[C@H]1CN([C@@H](C[NH3+])c2cncc(Br)c2)CC[N@@H+]1C ZINC000166141373 529300993 /nfs/dbraw/zinc/30/09/93/529300993.db2.gz IQPJYSBPCFLBKR-KBPBESRZSA-N 2 0 327.270 1.870 10 0 EDAERP C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948544 578318370 /nfs/dbraw/zinc/31/83/70/578318370.db2.gz CLFZMVBSHBUQQF-MJGOQNOKSA-N 2 0 331.504 1.943 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000104898343 282199691 /nfs/dbraw/zinc/19/96/91/282199691.db2.gz XSVDUDSVGGZJSJ-AEFFLSMTSA-N 2 0 331.460 1.347 10 0 EDAERP C[N@H+](C[C@H](O)CN1CCCC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109743 138247052 /nfs/dbraw/zinc/24/70/52/138247052.db2.gz FILXWMOQHRPUPF-MOPGFXCFSA-N 2 0 345.487 1.424 10 0 EDAERP CCCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105861539 138302068 /nfs/dbraw/zinc/30/20/68/138302068.db2.gz GBWWHQXNLWIPAY-LPHOPBHVSA-N 2 0 347.503 1.936 10 0 EDAERP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247119494 139136382 /nfs/dbraw/zinc/13/63/82/139136382.db2.gz JMSZAMVGFGLMOU-HOTGVXAUSA-N 2 0 327.513 1.562 10 0 EDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000248411747 139162621 /nfs/dbraw/zinc/16/26/21/139162621.db2.gz ZPEPWBHMLPMYGV-GOEBONIOSA-N 2 0 334.464 1.481 10 0 EDAERP CN(CC[N@H+](C)C[C@@H](O)COCc1ccccc1)C1CC[NH+](C)CC1 ZINC000119316743 221293492 /nfs/dbraw/zinc/29/34/92/221293492.db2.gz ACSKJLIZISZJIO-HXUWFJFHSA-N 2 0 349.519 1.522 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C12CCOCC2 ZINC000186236357 286277657 /nfs/dbraw/zinc/27/76/57/286277657.db2.gz KCMFZXDHQBBZSC-QZTJIDSGSA-N 2 0 339.524 1.576 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000164364424 226066926 /nfs/dbraw/zinc/06/69/26/226066926.db2.gz TYCGUJIXMMYNQH-JQWIXIFHSA-N 2 0 343.269 1.907 10 0 EDAERP CC[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000191483598 281166582 /nfs/dbraw/zinc/16/65/82/281166582.db2.gz YMICUCZYGIUZTG-MOPGFXCFSA-N 2 0 340.556 1.180 10 0 EDAERP CCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915765 441316086 /nfs/dbraw/zinc/31/60/86/441316086.db2.gz ZNJSGQZYCRBQCR-SFHVURJKSA-N 2 0 333.476 1.500 10 0 EDAERP CN1CC[C@@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000116278145 441806873 /nfs/dbraw/zinc/80/68/73/441806873.db2.gz DGYGHRULHCGOGV-MSOLQXFVSA-N 2 0 331.460 1.252 10 0 EDAERP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248718984 442921034 /nfs/dbraw/zinc/92/10/34/442921034.db2.gz OEFKQGUYPPKSIQ-ZACQAIPSSA-N 2 0 339.528 1.040 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000398116506 447556759 /nfs/dbraw/zinc/55/67/59/447556759.db2.gz FXUGHDMFAXAEQU-NVXWUHKLSA-N 2 0 331.460 1.521 10 0 EDAERP CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[NH+](C)C ZINC000180874909 528845298 /nfs/dbraw/zinc/84/52/98/528845298.db2.gz KGHWHCGJOUQKAO-MOPGFXCFSA-N 2 0 347.503 1.990 10 0 EDAERP COCCn1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097462 591028255 /nfs/dbraw/zinc/02/82/55/591028255.db2.gz JFNQPYNKHKWNEE-ZJPYXAASSA-N 2 0 336.480 1.099 10 0 EDAERP C[C@H](CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000179855651 138755640 /nfs/dbraw/zinc/75/56/40/138755640.db2.gz OUOLENZUNCFJOT-SOLBZPMBSA-N 2 0 339.524 1.563 10 0 EDAERP Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261707152 139219333 /nfs/dbraw/zinc/21/93/33/139219333.db2.gz MCRXCYIGFYCGAM-WBVHZDCISA-N 2 0 333.476 1.938 10 0 EDAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164279619 226060347 /nfs/dbraw/zinc/06/03/47/226060347.db2.gz HSWWICPTLZQSMZ-ZJUUUORDSA-N 2 0 329.242 1.245 10 0 EDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903626 227353127 /nfs/dbraw/zinc/35/31/27/227353127.db2.gz AQWFSTSKBTWZFI-QZTJIDSGSA-N 2 0 330.476 1.649 10 0 EDAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170855033 277612569 /nfs/dbraw/zinc/61/25/69/277612569.db2.gz KZLBZGJLXYZTGB-IBGZPJMESA-N 2 0 344.503 1.993 10 0 EDAERP CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786987 279153015 /nfs/dbraw/zinc/15/30/15/279153015.db2.gz DRTUINSBIRYAPK-MSOLQXFVSA-N 2 0 333.476 1.859 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000248791582 279326304 /nfs/dbraw/zinc/32/63/04/279326304.db2.gz YAYUGKPFMHTKQW-SJORKVTESA-N 2 0 339.528 1.138 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000262343477 294300804 /nfs/dbraw/zinc/30/08/04/294300804.db2.gz TYKWXWGMIHWQQD-KSZLIROESA-N 2 0 345.491 1.200 10 0 EDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104789268 441210018 /nfs/dbraw/zinc/21/00/18/441210018.db2.gz IDXKNKMJIPRXCR-BRWVUGGUSA-N 2 0 340.512 1.374 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000176165081 442184193 /nfs/dbraw/zinc/18/41/93/442184193.db2.gz XBZAVTSQXXEFGL-IAGOWNOFSA-N 2 0 340.512 1.469 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000176257377 442201089 /nfs/dbraw/zinc/20/10/89/442201089.db2.gz NQVFJTCMCUHULG-KRWDZBQOSA-N 2 0 340.512 1.659 10 0 EDAERP CCc1nccn1[C@@H]1CCCN(C(=O)NCC[N@H+](C)CCOC)C1 ZINC000152778140 442243135 /nfs/dbraw/zinc/24/31/35/442243135.db2.gz QKESOBDMCKYKJI-OAHLLOKOSA-N 2 0 337.468 1.370 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000176879845 442266593 /nfs/dbraw/zinc/26/65/93/442266593.db2.gz RIYDEGWZSNPOHF-IAGOWNOFSA-N 2 0 339.524 1.802 10 0 EDAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000172321801 442444087 /nfs/dbraw/zinc/44/40/87/442444087.db2.gz UBTMGRDOMPOTQA-QGZVFWFLSA-N 2 0 340.512 1.611 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000195191705 442995274 /nfs/dbraw/zinc/99/52/74/442995274.db2.gz HZDZBWXUBHUGOW-KRWDZBQOSA-N 2 0 348.491 1.911 10 0 EDAERP CC(C)[NH2+]C[C@H](O)COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000197076449 443035561 /nfs/dbraw/zinc/03/55/61/443035561.db2.gz MCOVNXHGJNQZPT-HOTGVXAUSA-N 2 0 340.464 1.162 10 0 EDAERP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391027577 447509596 /nfs/dbraw/zinc/50/95/96/447509596.db2.gz UCRHCLOWYKOONJ-MOPGFXCFSA-N 2 0 345.487 1.783 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741194 453466905 /nfs/dbraw/zinc/46/69/05/453466905.db2.gz DIXSCJHJWBKCGZ-OKZBNKHCSA-N 2 0 330.476 1.046 10 0 EDAERP CC(C)[NH+](CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)C ZINC000174354672 528882093 /nfs/dbraw/zinc/88/20/93/528882093.db2.gz IKGKXRCAGMZXKN-INIZCTEOSA-N 2 0 328.501 1.467 10 0 EDAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2cncc(Br)c2)CC1 ZINC000166100996 529043530 /nfs/dbraw/zinc/04/35/30/529043530.db2.gz YCNOMCRWQARETO-AWEZNQCLSA-N 2 0 327.270 1.870 10 0 EDAERP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000174957086 529267774 /nfs/dbraw/zinc/26/77/74/529267774.db2.gz LYSNNOSVSQDAMV-KRWDZBQOSA-N 2 0 325.497 1.676 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171588437 296181700 /nfs/dbraw/zinc/18/17/00/296181700.db2.gz ZXIQUGXRLZFMPC-APWZRJJASA-N 2 0 347.503 1.841 10 0 EDAERP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000262143660 139254734 /nfs/dbraw/zinc/25/47/34/139254734.db2.gz XHLFBCQPOGMIDK-GOSISDBHSA-N 2 0 344.503 1.633 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000262303429 139268305 /nfs/dbraw/zinc/26/83/05/139268305.db2.gz PUJDHKADCVEVMG-MSOLQXFVSA-N 2 0 345.491 1.246 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000262399073 139276204 /nfs/dbraw/zinc/27/62/04/139276204.db2.gz YMHLEKONXRUKKH-QLFBSQMISA-N 2 0 347.488 1.204 10 0 EDAERP Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000117039869 221027250 /nfs/dbraw/zinc/02/72/50/221027250.db2.gz CJMIYRLGGKAHFV-QZTJIDSGSA-N 2 0 348.491 1.570 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000117495584 221071878 /nfs/dbraw/zinc/07/18/78/221071878.db2.gz IVIBRGROTUOHHI-IRXDYDNUSA-N 2 0 340.512 1.613 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000171589235 533666619 /nfs/dbraw/zinc/66/66/19/533666619.db2.gz CDAWAEHBUATUPU-OAHLLOKOSA-N 2 0 334.460 1.982 10 0 EDAERP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000174663405 441951471 /nfs/dbraw/zinc/95/14/71/441951471.db2.gz STUZUJHMGULHEP-LJQANCHMSA-N 2 0 342.487 1.354 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000176196822 442188771 /nfs/dbraw/zinc/18/87/71/442188771.db2.gz HAQWDVUERGZLRO-KRWDZBQOSA-N 2 0 339.528 1.138 10 0 EDAERP CCCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588744 442360141 /nfs/dbraw/zinc/36/01/41/442360141.db2.gz DCDKXERBBODUGB-HZPDHXFCSA-N 2 0 327.513 1.706 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248445950 442892351 /nfs/dbraw/zinc/89/23/51/442892351.db2.gz FLJYYIDYXQGCQS-DLBZAZTESA-N 2 0 342.528 1.592 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248496825 442897505 /nfs/dbraw/zinc/89/75/05/442897505.db2.gz QWVQIKDCVJTNNQ-QBPKDAKJSA-N 2 0 340.512 1.346 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616636087 450456940 /nfs/dbraw/zinc/45/69/40/450456940.db2.gz KAPZTGVTEWKCLX-MRXNPFEDSA-N 2 0 334.464 1.963 10 0 EDAERP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000247592490 139153020 /nfs/dbraw/zinc/15/30/20/139153020.db2.gz JUNIRJZRUWUDEK-SCTDSRPQSA-N 2 0 347.503 1.775 10 0 EDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132347005 287523758 /nfs/dbraw/zinc/52/37/58/287523758.db2.gz NGQZCUNYNYNLQR-HUUCEWRRSA-N 2 0 326.485 1.221 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000194139636 273000518 /nfs/dbraw/zinc/00/05/18/273000518.db2.gz UNZAXCTUPLKLBY-SJORKVTESA-N 2 0 339.528 1.042 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000193292742 442729927 /nfs/dbraw/zinc/72/99/27/442729927.db2.gz VSKLRLZFTFOEQR-SJORKVTESA-N 2 0 342.528 1.619 10 0 EDAERP C[C@@H](CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182675736 442804792 /nfs/dbraw/zinc/80/47/92/442804792.db2.gz FZMUCCJMCUTUEW-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP CC[C@@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247037413 442830781 /nfs/dbraw/zinc/83/07/81/442830781.db2.gz DMQKDWDWGVKUCU-ZWKOTPCHSA-N 2 0 333.476 1.628 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000247038291 442831413 /nfs/dbraw/zinc/83/14/13/442831413.db2.gz HZDBURIJQLIGSW-NVXWUHKLSA-N 2 0 339.528 1.040 10 0 EDAERP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCN2C2CC2)c1 ZINC000189000726 442858860 /nfs/dbraw/zinc/85/88/60/442858860.db2.gz RLCAMFBBGWIMGY-LIRZEXBASA-N 2 0 347.434 1.789 10 0 EDAERP CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000248385864 442888592 /nfs/dbraw/zinc/88/85/92/442888592.db2.gz KGHWHCGJOUQKAO-OALUTQOASA-N 2 0 347.503 1.990 10 0 EDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000578347489 321761558 /nfs/dbraw/zinc/76/15/58/321761558.db2.gz ZPGGRLZBAWLMMK-IEBWSBKVSA-N 3 0 331.504 1.991 10 0 EDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390952401 447508680 /nfs/dbraw/zinc/50/86/80/447508680.db2.gz XZXUOFUWSABWDR-OALUTQOASA-N 2 0 344.503 1.295 10 0 EDAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000576111162 447976615 /nfs/dbraw/zinc/97/66/15/447976615.db2.gz MKAFEIKSBDUKBE-RTBURBONSA-N 2 0 345.487 1.734 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173997514 528500011 /nfs/dbraw/zinc/50/00/11/528500011.db2.gz HVTYFGNUNMAESM-DLBZAZTESA-N 2 0 341.544 1.145 10 0 EDAERP CC(C)[NH+](CCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000174352168 528883257 /nfs/dbraw/zinc/88/32/57/528883257.db2.gz HERXGRIZXGQCTQ-KRWDZBQOSA-N 2 0 342.528 1.641 10 0 EDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000246492168 139110652 /nfs/dbraw/zinc/11/06/52/139110652.db2.gz PHTYAJQDKSIYTQ-JFRXWTBNSA-N 2 0 345.487 1.590 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261729450 139221179 /nfs/dbraw/zinc/22/11/79/139221179.db2.gz HMNUKAVUFBJPMU-DZJNRPSUSA-N 2 0 331.460 1.774 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261729454 139221326 /nfs/dbraw/zinc/22/13/26/139221326.db2.gz HMNUKAVUFBJPMU-HPBDAGMYSA-N 2 0 331.460 1.774 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000116782993 220989647 /nfs/dbraw/zinc/98/96/47/220989647.db2.gz UIPIEAHAAHZUNG-SFHVURJKSA-N 2 0 331.460 1.685 10 0 EDAERP CC(C)[NH+](CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000049172483 287217852 /nfs/dbraw/zinc/21/78/52/287217852.db2.gz VDORSCKIWAAOBI-MRXNPFEDSA-N 2 0 328.501 1.251 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792652 441847586 /nfs/dbraw/zinc/84/75/86/441847586.db2.gz PTCKYWYZEHDFFE-RBUKOAKNSA-N 2 0 345.487 1.688 10 0 EDAERP CCOC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121150118 442183395 /nfs/dbraw/zinc/18/33/95/442183395.db2.gz AIPJGASRRRHIJT-CQSZACIVSA-N 2 0 338.448 1.981 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000152286644 442193283 /nfs/dbraw/zinc/19/32/83/442193283.db2.gz KKHVQCACBCJIRP-GOSISDBHSA-N 2 0 346.475 1.524 10 0 EDAERP C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180592519 442629928 /nfs/dbraw/zinc/62/99/28/442629928.db2.gz LONWSQNARAKQRA-GOEBONIOSA-N 2 0 329.448 1.884 10 0 EDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000194457385 442899455 /nfs/dbraw/zinc/89/94/55/442899455.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 2 0 342.487 1.998 10 0 EDAERP CC[NH+](CC)CCCNC(=O)CCC(=O)NCCC[NH+](CC)CC ZINC000196818807 443035691 /nfs/dbraw/zinc/03/56/91/443035691.db2.gz HZUWKOWOPFJJLI-UHFFFAOYSA-N 2 0 342.528 1.463 10 0 EDAERP Cc1cnn(C[C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c1 ZINC000191486578 443301292 /nfs/dbraw/zinc/30/12/92/443301292.db2.gz UIFUXUYQLLQKKI-LJQANCHMSA-N 2 0 349.523 1.308 10 0 EDAERP C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000397983677 447554320 /nfs/dbraw/zinc/55/43/20/447554320.db2.gz NNZQDJUONYHRAL-SJLPKXTDSA-N 2 0 344.503 1.449 10 0 EDAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105711 453288435 /nfs/dbraw/zinc/28/84/35/453288435.db2.gz HBFFOFAZSMJNJL-RRFJBIMHSA-N 2 0 341.377 1.775 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741196 453466111 /nfs/dbraw/zinc/46/61/11/453466111.db2.gz DIXSCJHJWBKCGZ-RCCFBDPRSA-N 2 0 330.476 1.046 10 0 EDAERP CCC[C@@](C)([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164141602 527893231 /nfs/dbraw/zinc/89/32/31/527893231.db2.gz LMMUJPPPOKPMDX-CYBMUJFWSA-N 2 0 331.258 1.907 10 0 EDAERP c1cncc(C[N@@H+]2CCC[C@H](Nc3ncnc4c3CC[NH2+]CC4)C2)c1 ZINC000072420149 216209531 /nfs/dbraw/zinc/20/95/31/216209531.db2.gz JQBRHAMPKCYUCI-INIZCTEOSA-N 2 0 338.459 1.636 10 0 EDAERP CC1(C)CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000262197104 139259150 /nfs/dbraw/zinc/25/91/50/139259150.db2.gz ZZTWDAVRSOZGJX-INIZCTEOSA-N 2 0 345.491 1.180 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C12CCOCC2 ZINC000186374258 286281609 /nfs/dbraw/zinc/28/16/09/286281609.db2.gz RPDJJMNTDHMBBO-QZTJIDSGSA-N 2 0 339.524 1.576 10 0 EDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C12CCOCC2 ZINC000186374275 286492766 /nfs/dbraw/zinc/49/27/66/286492766.db2.gz RPDJJMNTDHMBBO-MSOLQXFVSA-N 2 0 339.524 1.576 10 0 EDAERP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C[NH+](C)C ZINC000162482383 225815416 /nfs/dbraw/zinc/81/54/16/225815416.db2.gz FWXSJYDDOOXOPM-GOSISDBHSA-N 2 0 333.476 1.452 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000164397701 226069497 /nfs/dbraw/zinc/06/94/97/226069497.db2.gz OIIOSLBCQPMGCG-LBPRGKRZSA-N 2 0 343.269 1.922 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000179855638 278289288 /nfs/dbraw/zinc/28/92/88/278289288.db2.gz OUOLENZUNCFJOT-XYJFISCASA-N 2 0 339.524 1.563 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC2CCCCC2)CC1 ZINC000105862195 441293304 /nfs/dbraw/zinc/29/33/04/441293304.db2.gz YTJHLKAALMJOIR-INIZCTEOSA-N 2 0 339.524 1.708 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000113591188 441616823 /nfs/dbraw/zinc/61/68/23/441616823.db2.gz QHWWLFUDXMFLAQ-QFBILLFUSA-N 2 0 342.487 1.923 10 0 EDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000176584647 442237298 /nfs/dbraw/zinc/23/72/98/442237298.db2.gz SCIBBCFMIHBYSY-OAGGEKHMSA-N 2 0 326.485 1.005 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000157469704 442587056 /nfs/dbraw/zinc/58/70/56/442587056.db2.gz MBNVKPARIJSKCK-MRXNPFEDSA-N 2 0 340.512 1.517 10 0 EDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000181181583 442683584 /nfs/dbraw/zinc/68/35/84/442683584.db2.gz RLOFYICGEDSCBI-BRWVUGGUSA-N 2 0 340.512 1.205 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000150795359 529087109 /nfs/dbraw/zinc/08/71/09/529087109.db2.gz RZEAFRRSQDAPBU-PBHICJAKSA-N 2 0 346.475 1.532 10 0 EDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000111231220 220117915 /nfs/dbraw/zinc/11/79/15/220117915.db2.gz YSNBUGWLQOQYNQ-WOJBJXKFSA-N 2 0 331.504 1.996 10 0 EDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246976595 139129306 /nfs/dbraw/zinc/12/93/06/139129306.db2.gz FGQJHGSPKNPCDL-BBWFWOEESA-N 2 0 340.512 1.326 10 0 EDAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000263219346 139329110 /nfs/dbraw/zinc/32/91/10/139329110.db2.gz LNHWXYFEFKPMSC-MRXNPFEDSA-N 2 0 327.432 1.909 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000174237570 285264967 /nfs/dbraw/zinc/26/49/67/285264967.db2.gz IBIRNTKOXLJNKM-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000117473730 221068180 /nfs/dbraw/zinc/06/81/80/221068180.db2.gz OEXKJXWIGZVABJ-MRXNPFEDSA-N 2 0 338.496 1.365 10 0 EDAERP [NH3+]Cc1cc(Br)cnc1N1CC[NH+](CC2CC2)CC1 ZINC000051398235 132181404 /nfs/dbraw/zinc/18/14/04/132181404.db2.gz OFNONCNYIMUJOS-UHFFFAOYSA-N 2 0 325.254 1.835 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000333724514 141366703 /nfs/dbraw/zinc/36/67/03/141366703.db2.gz VDCMZLWHWQBSGQ-CIRFHOKZSA-N 2 0 344.459 1.002 10 0 EDAERP Cc1cc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000169092523 226231955 /nfs/dbraw/zinc/23/19/55/226231955.db2.gz JVLTVTPEPGMDBV-HOTGVXAUSA-N 2 0 333.432 1.131 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000333673877 295225210 /nfs/dbraw/zinc/22/52/10/295225210.db2.gz NPJAGWAPSPDIAY-SPUZQDLCSA-N 2 0 344.459 1.144 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCc3ccccc32)CC1 ZINC000105862182 441292813 /nfs/dbraw/zinc/29/28/13/441292813.db2.gz RZBCAGRBUPATAN-INIZCTEOSA-N 2 0 345.487 1.600 10 0 EDAERP CCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915770 441315793 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1.997 10 0 EDAERP CNC(=O)c1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000172151093 442416578 /nfs/dbraw/zinc/41/65/78/442416578.db2.gz PSOQJURDBBALNY-HNNXBMFYSA-N 2 0 333.476 1.571 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000179853632 442511819 /nfs/dbraw/zinc/51/18/19/442511819.db2.gz OHNAZKCSBMJQHC-HNAYVOBHSA-N 2 0 345.487 1.425 10 0 EDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000246682218 442800955 /nfs/dbraw/zinc/80/09/55/442800955.db2.gz HHZGOLIAPROWHU-YESZJQIVSA-N 2 0 346.475 1.808 10 0 EDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCn3ccnc3)CC2)C1 ZINC000182754317 442819466 /nfs/dbraw/zinc/81/94/66/442819466.db2.gz ONRZXLJRSLPMHT-GOSISDBHSA-N 2 0 335.496 1.000 10 0 EDAERP COCC[NH2+]CC(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262655247 443206489 /nfs/dbraw/zinc/20/64/89/443206489.db2.gz UEHIKOGQIYBMMO-YRWFTTLQSA-N 2 0 347.503 1.837 10 0 EDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283542 453635644 /nfs/dbraw/zinc/63/56/44/453635644.db2.gz PMZOPSZLXWVEDV-IHPCNDPISA-N 2 0 330.520 1.780 10 0 EDAERP CCC[C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000131606468 528844842 /nfs/dbraw/zinc/84/48/42/528844842.db2.gz RXBKBLYWBJQHBD-KRWDZBQOSA-N 2 0 348.491 1.325 10 0 EDAERP CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261746114 535543864 /nfs/dbraw/zinc/54/38/64/535543864.db2.gz IQXKADDMXKRVSF-DOTOQJQBSA-N 2 0 325.497 1.853 10 0 EDAERP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3csc(C[NH3+])c3)CC[C@@H]21 ZINC000166861638 530064753 /nfs/dbraw/zinc/06/47/53/530064753.db2.gz DWQYWSNBHMCCKH-FZMZJTMJSA-N 2 0 329.491 1.312 10 0 EDAERP COc1ccc([C@H](C[NH3+])N(C)CC[NH+](C)C)cc1Br ZINC000104198111 219360138 /nfs/dbraw/zinc/36/01/38/219360138.db2.gz XQZKZLHLJDHMEL-ZDUSSCGKSA-N 2 0 330.270 1.951 10 0 EDAERP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cn1 ZINC000188406615 540158728 /nfs/dbraw/zinc/15/87/28/540158728.db2.gz GREGXUWSJMGQML-CQSZACIVSA-N 2 0 333.461 1.841 10 0 EDAERP CCC[NH+]1CCC(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117041836 221027039 /nfs/dbraw/zinc/02/70/39/221027039.db2.gz CQIACOMXFCJKHE-MRXNPFEDSA-N 2 0 326.485 1.080 10 0 EDAERP CCC[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000188157929 276020573 /nfs/dbraw/zinc/02/05/73/276020573.db2.gz PMYKYQJKZRSSRM-ICSRJNTNSA-N 2 0 347.503 1.812 10 0 EDAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862489 441294355 /nfs/dbraw/zinc/29/43/55/441294355.db2.gz QAODQWTVGRLMQB-ARFHVFGLSA-N 2 0 327.513 1.704 10 0 EDAERP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(COc3ccccc3)CC2)C1 ZINC000065493893 441445512 /nfs/dbraw/zinc/44/55/12/441445512.db2.gz XZPJMUUJTALPGK-DNVCBOLYSA-N 2 0 329.444 1.113 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000137105018 441747445 /nfs/dbraw/zinc/74/74/45/441747445.db2.gz CLPGKEKTZHRBPY-SJORKVTESA-N 2 0 327.513 1.872 10 0 EDAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170855037 442275525 /nfs/dbraw/zinc/27/55/25/442275525.db2.gz KZLBZGJLXYZTGB-LJQANCHMSA-N 2 0 344.503 1.993 10 0 EDAERP C[C@@H]1CN([C@@H](CNC(=O)NCC[NH+](C)C)c2cccs2)CCO1 ZINC000133813857 442435149 /nfs/dbraw/zinc/43/51/49/442435149.db2.gz ROQDPCFTGIWXGT-KGLIPLIRSA-N 2 0 340.493 1.371 10 0 EDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000157286208 442567631 /nfs/dbraw/zinc/56/76/31/442567631.db2.gz JGLWGHMAVZXZBB-DLBZAZTESA-N 2 0 340.512 1.517 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000157994421 442635341 /nfs/dbraw/zinc/63/53/41/442635341.db2.gz IIYNUERQFGDMAS-CVEARBPZSA-N 2 0 326.485 1.127 10 0 EDAERP COCCN1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC000246452454 442783362 /nfs/dbraw/zinc/78/33/62/442783362.db2.gz OTHHWZZVVHMOOL-DLBZAZTESA-N 2 0 340.512 1.326 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184866003 443088744 /nfs/dbraw/zinc/08/87/44/443088744.db2.gz QOZXFYXHIZHZSJ-IXDOHACOSA-N 2 0 342.528 1.449 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993657 447489839 /nfs/dbraw/zinc/48/98/39/447489839.db2.gz PNKUCVVWQFVOPF-FUHWJXTLSA-N 2 0 344.503 1.307 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000398116503 447555560 /nfs/dbraw/zinc/55/55/60/447555560.db2.gz FXUGHDMFAXAEQU-DOTOQJQBSA-N 2 0 331.460 1.521 10 0 EDAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638852219 451711016 /nfs/dbraw/zinc/71/10/16/451711016.db2.gz VWGKZQWJGIFFIR-MOPGFXCFSA-N 2 0 345.487 1.783 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638070778 452378884 /nfs/dbraw/zinc/37/88/84/452378884.db2.gz ADBWTBFQHWAMGA-MSOLQXFVSA-N 2 0 334.508 1.538 10 0 EDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000171909163 533927600 /nfs/dbraw/zinc/92/76/00/533927600.db2.gz QLNZXIGRXGRDDY-FUHWJXTLSA-N 2 0 330.476 1.997 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000245906310 139089126 /nfs/dbraw/zinc/08/91/26/139089126.db2.gz UCXZCXHXPSSSII-IRXDYDNUSA-N 2 0 348.491 1.215 10 0 EDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246671995 139117218 /nfs/dbraw/zinc/11/72/18/139117218.db2.gz UEQFXZBYEOUVGP-HZPDHXFCSA-N 2 0 326.485 1.007 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000247083023 139134979 /nfs/dbraw/zinc/13/49/79/139134979.db2.gz LNTPMMZBGZLHES-DLBZAZTESA-N 2 0 340.512 1.471 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247104967 139135784 /nfs/dbraw/zinc/13/57/84/139135784.db2.gz MUNWSDZIGDITGL-IAGOWNOFSA-N 2 0 340.512 1.471 10 0 EDAERP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CCOCC1 ZINC000247174775 139138834 /nfs/dbraw/zinc/13/88/34/139138834.db2.gz UUZIMHJNDMZGFV-ZIFCJYIRSA-N 2 0 332.492 1.602 10 0 EDAERP C[NH2+][C@H](Cc1ccc(Br)cn1)C[C@H]1C[N@H+](C)CCN1C ZINC000167997199 533011592 /nfs/dbraw/zinc/01/15/92/533011592.db2.gz QOZSMJNTFDOIFS-CABCVRRESA-N 2 0 341.297 1.611 10 0 EDAERP C[C@@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](C[NH3+])C1 ZINC000333535771 296513642 /nfs/dbraw/zinc/51/36/42/296513642.db2.gz MYRUDHNOKCSJIZ-YIYWWNGQSA-N 2 0 334.508 1.909 10 0 EDAERP CCO[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C12CCOCC2 ZINC000186236341 286537573 /nfs/dbraw/zinc/53/75/73/286537573.db2.gz KCMFZXDHQBBZSC-ROUUACIJSA-N 2 0 339.524 1.576 10 0 EDAERP C[C@@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000132228064 287522360 /nfs/dbraw/zinc/52/23/60/287522360.db2.gz DFLNGPZEQCDUSO-GJZGRUSLSA-N 2 0 326.485 1.221 10 0 EDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262089215 279686090 /nfs/dbraw/zinc/68/60/90/279686090.db2.gz CWRDISSVZKGYBL-DIECFANBSA-N 2 0 333.480 1.102 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000156026443 290083392 /nfs/dbraw/zinc/08/33/92/290083392.db2.gz GZBDPEIVAWHIQR-INIZCTEOSA-N 2 0 325.497 1.270 10 0 EDAERP CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C12CCOCC2 ZINC000186236376 442493323 /nfs/dbraw/zinc/49/33/23/442493323.db2.gz KCMFZXDHQBBZSC-MSOLQXFVSA-N 2 0 339.524 1.576 10 0 EDAERP CCC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000136036782 442647643 /nfs/dbraw/zinc/64/76/43/442647643.db2.gz BPCAKDNQRVHGIT-IBGZPJMESA-N 2 0 346.519 1.781 10 0 EDAERP C[N@H+](C[C@H](O)CN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000381383610 447459827 /nfs/dbraw/zinc/45/98/27/447459827.db2.gz SJXHYQXHFRKQSP-OYNPSCLESA-N 2 0 343.515 1.942 10 0 EDAERP CN(C(=O)C1([NH3+])CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388568114 447480115 /nfs/dbraw/zinc/48/01/15/447480115.db2.gz BWZPAAAUGSCWDC-KRWDZBQOSA-N 2 0 331.460 1.617 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993655 447490149 /nfs/dbraw/zinc/49/01/49/447490149.db2.gz PNKUCVVWQFVOPF-AEFFLSMTSA-N 2 0 344.503 1.307 10 0 EDAERP [NH3+]C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000391025050 447510347 /nfs/dbraw/zinc/51/03/47/447510347.db2.gz RNFBBWFFJPJDHF-CTWPCTMYSA-N 2 0 345.487 1.911 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000123115496 596864239 /nfs/dbraw/zinc/86/42/39/596864239.db2.gz CKXISCDBQYCVSH-OWCLPIDISA-N 2 0 326.485 1.221 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000247277565 139143396 /nfs/dbraw/zinc/14/33/96/139143396.db2.gz KEGHJEBEOWFQCU-HUUCEWRRSA-N 2 0 326.485 1.125 10 0 EDAERP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249920261 139199937 /nfs/dbraw/zinc/19/99/37/139199937.db2.gz YMUUTJDWVXATKF-CVEARBPZSA-N 2 0 334.464 1.665 10 0 EDAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261710693 139219666 /nfs/dbraw/zinc/21/96/66/139219666.db2.gz JGOUUWHWPZURQG-BRSBDYLESA-N 2 0 336.524 1.378 10 0 EDAERP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261794179 139226639 /nfs/dbraw/zinc/22/66/39/139226639.db2.gz VHAWBNXZSWVEHY-IINYFYTJSA-N 2 0 331.420 1.242 10 0 EDAERP CC(C)(CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000192797832 272986493 /nfs/dbraw/zinc/98/64/93/272986493.db2.gz GCCRYVMNGWSAFM-INIZCTEOSA-N 2 0 340.512 1.397 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000121142769 442182138 /nfs/dbraw/zinc/18/21/38/442182138.db2.gz NSNUCMVPNOCTEL-OAHLLOKOSA-N 2 0 343.475 1.996 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000176196806 442188843 /nfs/dbraw/zinc/18/88/43/442188843.db2.gz HAQWDVUERGZLRO-QGZVFWFLSA-N 2 0 339.528 1.138 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000135630406 442620021 /nfs/dbraw/zinc/62/00/21/442620021.db2.gz DPNZJHJTCDKPAE-INIZCTEOSA-N 2 0 349.479 1.306 10 0 EDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000185451564 443201711 /nfs/dbraw/zinc/20/17/11/443201711.db2.gz JEAXZZYHPOGQNI-HZPDHXFCSA-N 2 0 348.491 1.345 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000246115514 443269473 /nfs/dbraw/zinc/26/94/73/443269473.db2.gz IBIRNTKOXLJNKM-JKSUJKDBSA-N 2 0 326.485 1.223 10 0 EDAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391027582 447509526 /nfs/dbraw/zinc/50/95/26/447509526.db2.gz UCRHCLOWYKOONJ-OALUTQOASA-N 2 0 345.487 1.783 10 0 EDAERP C[C@H](CCC[NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164702621 533859118 /nfs/dbraw/zinc/85/91/18/533859118.db2.gz BIOZBRNQTYXJBN-SNVBAGLBSA-N 2 0 331.258 1.765 10 0 EDAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cncc(Br)c2)C[C@@H]1C ZINC000166141113 529150769 /nfs/dbraw/zinc/15/07/69/529150769.db2.gz IYBSJFQJXXYUMR-FZMZJTMJSA-N 2 0 327.270 1.870 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2ccccc2C[NH+](C)C)cn1 ZINC000262416093 536048850 /nfs/dbraw/zinc/04/88/50/536048850.db2.gz ZRPZBAFJENABPG-MSOLQXFVSA-N 2 0 341.459 1.101 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000170831057 282261653 /nfs/dbraw/zinc/26/16/53/282261653.db2.gz ZSJIRZMSLVWTGX-HNNXBMFYSA-N 2 0 340.537 1.694 10 0 EDAERP COc1cc2c(c(OC)c1OC)CN(C1CC[NH+](C)CC1)[C@@H]2C[NH3+] ZINC000071684679 215795771 /nfs/dbraw/zinc/79/57/71/215795771.db2.gz FFYODMBLSJFPAD-OAHLLOKOSA-N 2 0 335.448 1.622 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000245514773 139077640 /nfs/dbraw/zinc/07/76/40/139077640.db2.gz PQUSIUMUVHWCHJ-PMPSAXMXSA-N 2 0 331.464 1.688 10 0 EDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000246492179 139110774 /nfs/dbraw/zinc/11/07/74/139110774.db2.gz PHTYAJQDKSIYTQ-OGWHTMIXSA-N 2 0 345.487 1.590 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C[C@H]1CC ZINC000117037452 221027256 /nfs/dbraw/zinc/02/72/56/221027256.db2.gz FBZHUUAOEIBHTI-IAGOWNOFSA-N 2 0 340.512 1.613 10 0 EDAERP C[NH+](C)CC[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000117052412 221028549 /nfs/dbraw/zinc/02/85/49/221028549.db2.gz FALKFAAXTQCXEK-GJZGRUSLSA-N 2 0 328.501 1.325 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000333690228 286378695 /nfs/dbraw/zinc/37/86/95/286378695.db2.gz PRFMRNGKMDSSOR-KBRIMQKVSA-N 2 0 332.448 1.144 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000164456475 226074007 /nfs/dbraw/zinc/07/40/07/226074007.db2.gz OMCFFIFRZTXOSZ-UWVGGRQHSA-N 2 0 329.242 1.517 10 0 EDAERP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000166724516 226168626 /nfs/dbraw/zinc/16/86/26/226168626.db2.gz YNTZZHBQMNMNJZ-HOCLYGCPSA-N 2 0 335.473 1.205 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000114456696 441658559 /nfs/dbraw/zinc/65/85/59/441658559.db2.gz YVOCIQSHLVMEFF-UHFFFAOYSA-N 2 0 347.507 1.584 10 0 EDAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000173977709 441873759 /nfs/dbraw/zinc/87/37/59/441873759.db2.gz ZJPWFMSQWUEVDC-GOSISDBHSA-N 2 0 330.476 1.605 10 0 EDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000166609315 442217585 /nfs/dbraw/zinc/21/75/85/442217585.db2.gz LWJJFHMNGUXNHD-XDNAFOTISA-N 2 0 336.524 1.521 10 0 EDAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287966 442421775 /nfs/dbraw/zinc/42/17/75/442421775.db2.gz WNCAQDUSOSFDFO-GOSISDBHSA-N 2 0 347.507 1.645 10 0 EDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000246699777 442805541 /nfs/dbraw/zinc/80/55/41/442805541.db2.gz FVGPVHNXJJPNMZ-IAGOWNOFSA-N 2 0 340.512 1.397 10 0 EDAERP CC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCN1CCOC ZINC000191484310 443301389 /nfs/dbraw/zinc/30/13/89/443301389.db2.gz IQZYYINFSSSFIY-LJQANCHMSA-N 2 0 340.556 1.445 10 0 EDAERP [NH3+]CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000383361365 447465632 /nfs/dbraw/zinc/46/56/32/447465632.db2.gz SVNSUZLJYGRYRN-QGZVFWFLSA-N 2 0 331.460 1.380 10 0 EDAERP C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000397983671 447553913 /nfs/dbraw/zinc/55/39/13/447553913.db2.gz NNZQDJUONYHRAL-AEFFLSMTSA-N 2 0 344.503 1.449 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000638834325 451705794 /nfs/dbraw/zinc/70/57/94/451705794.db2.gz FHRBNVAPJOAKOG-NVXWUHKLSA-N 2 0 331.460 1.379 10 0 EDAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000653202367 453397164 /nfs/dbraw/zinc/39/71/64/453397164.db2.gz KIRULZUIGVONKQ-BMFAXAFESA-N 2 0 345.487 1.732 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662741192 453466233 /nfs/dbraw/zinc/46/62/33/453466233.db2.gz DIXSCJHJWBKCGZ-KZNAEPCWSA-N 2 0 330.476 1.046 10 0 EDAERP [NH3+]C[C@@H](c1cncc(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000166113879 534680473 /nfs/dbraw/zinc/68/04/73/534680473.db2.gz WNUDABPWWQRLCU-HNNXBMFYSA-N 2 0 339.281 1.872 10 0 EDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000166140429 529954525 /nfs/dbraw/zinc/95/45/25/529954525.db2.gz REMNPROKANRZAL-RISCZKNCSA-N 2 0 327.270 1.727 10 0 EDAERP CCc1nccn1[C@@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)C1 ZINC000106214919 138302890 /nfs/dbraw/zinc/30/28/90/138302890.db2.gz ASCGVVPRKIBSBT-GFCCVEGCSA-N 2 0 330.440 1.116 10 0 EDAERP Cc1nc2c(c(NC[C@@H]3Cc4ccccc4C[N@H+]3C)n1)CC[NH2+]CC2 ZINC000072426830 216217712 /nfs/dbraw/zinc/21/77/12/216217712.db2.gz BGIZADZTSCQLDU-KRWDZBQOSA-N 2 0 337.471 1.942 10 0 EDAERP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000261956029 139239870 /nfs/dbraw/zinc/23/98/70/139239870.db2.gz GQKAOLKKPYQHPE-UHFFFAOYSA-N 2 0 334.464 1.639 10 0 EDAERP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2)CC1 ZINC000262143662 139254793 /nfs/dbraw/zinc/25/47/93/139254793.db2.gz XHLFBCQPOGMIDK-SFHVURJKSA-N 2 0 344.503 1.633 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000117022292 221022980 /nfs/dbraw/zinc/02/29/80/221022980.db2.gz DEVLQSUMQVQFBW-ZIAGYGMSSA-N 2 0 340.493 1.323 10 0 EDAERP Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000117039872 221026502 /nfs/dbraw/zinc/02/65/02/221026502.db2.gz CJMIYRLGGKAHFV-MSOLQXFVSA-N 2 0 348.491 1.570 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000164456715 226074323 /nfs/dbraw/zinc/07/43/23/226074323.db2.gz OMCFFIFRZTXOSZ-VHSXEESVSA-N 2 0 329.242 1.517 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C1(C[NH3+])CCC1 ZINC000164593650 226084117 /nfs/dbraw/zinc/08/41/17/226084117.db2.gz SGNKWGUHMFIWQY-UHFFFAOYSA-N 2 0 329.242 1.519 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000171898012 227344598 /nfs/dbraw/zinc/34/45/98/227344598.db2.gz CQBMBUNGUQUNDF-IAGOWNOFSA-N 2 0 334.439 1.918 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000194136763 273000549 /nfs/dbraw/zinc/00/05/49/273000549.db2.gz KECWADFJMFPFPH-GOSISDBHSA-N 2 0 345.491 1.830 10 0 EDAERP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104778195 441206570 /nfs/dbraw/zinc/20/65/70/441206570.db2.gz XFOBDCUELCWFGV-GOSISDBHSA-N 2 0 348.491 1.658 10 0 EDAERP CCNC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862914 441293706 /nfs/dbraw/zinc/29/37/06/441293706.db2.gz QVBZLOCOLKKYNJ-IBGZPJMESA-N 2 0 347.503 1.890 10 0 EDAERP Cc1nc(C(=O)NCCC[NH+]2CCCC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257289 441411568 /nfs/dbraw/zinc/41/15/68/441411568.db2.gz NJIUOFXTPKXTNE-UHFFFAOYSA-N 2 0 347.507 1.982 10 0 EDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111684393 441539677 /nfs/dbraw/zinc/53/96/77/441539677.db2.gz UQUNFKSAUSWHRX-QGZVFWFLSA-N 2 0 325.497 1.414 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176226817 442195278 /nfs/dbraw/zinc/19/52/78/442195278.db2.gz WXFYYGCGMWIGQV-MRXNPFEDSA-N 2 0 340.512 1.469 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000247031766 442830394 /nfs/dbraw/zinc/83/03/94/442830394.db2.gz MKLJILABBCXDKZ-BBWFWOEESA-N 2 0 340.512 1.611 10 0 EDAERP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCN2C2CC2)c1 ZINC000189000745 442858792 /nfs/dbraw/zinc/85/87/92/442858792.db2.gz RLCAMFBBGWIMGY-VIBAHUMZSA-N 2 0 347.434 1.789 10 0 EDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCCO3)CC2)C1 ZINC000189164712 442889999 /nfs/dbraw/zinc/88/99/99/442889999.db2.gz NGEALMHAPVUSAQ-ZWKOTPCHSA-N 2 0 325.497 1.282 10 0 EDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000185049633 443125714 /nfs/dbraw/zinc/12/57/14/443125714.db2.gz VYYLLWLLCPIKKJ-XHSDSOJGSA-N 2 0 328.501 1.203 10 0 EDAERP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390862166 447504870 /nfs/dbraw/zinc/50/48/70/447504870.db2.gz IFHPVLWADMCTOH-IEBWSBKVSA-N 2 0 331.460 1.536 10 0 EDAERP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000496805904 447926966 /nfs/dbraw/zinc/92/69/66/447926966.db2.gz XNGYQGCBOQOEMO-RRFJBIMHSA-N 2 0 327.469 1.600 10 0 EDAERP COC[C@]1(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000643792721 452658088 /nfs/dbraw/zinc/65/80/88/452658088.db2.gz ORCPOMZSIYIPCJ-QRFRQXIXSA-N 2 0 345.487 1.782 10 0 EDAERP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262851908 535868515 /nfs/dbraw/zinc/86/85/15/535868515.db2.gz VJHFYHMFENEFSD-OAHLLOKOSA-N 2 0 345.447 1.605 10 0 EDAERP O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000262226776 139261719 /nfs/dbraw/zinc/26/17/19/139261719.db2.gz VAHOTZPNTAFBSK-LSDHHAIUSA-N 2 0 337.489 1.458 10 0 EDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117032718 221025488 /nfs/dbraw/zinc/02/54/88/221025488.db2.gz JPPVLUZHOMUCGJ-IAGOWNOFSA-N 2 0 340.512 1.471 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000117477877 221069186 /nfs/dbraw/zinc/06/91/86/221069186.db2.gz WNRULQUJOXNCGF-QGZVFWFLSA-N 2 0 340.512 1.471 10 0 EDAERP C(=C/CN1CC[N@@H+]2CCCC[C@@H]2C1)\CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000252648679 533350738 /nfs/dbraw/zinc/35/07/38/533350738.db2.gz AMJUNWGTNDECMS-BGEOSOQGSA-N 2 0 332.536 1.883 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000333679459 141355348 /nfs/dbraw/zinc/35/53/48/141355348.db2.gz OOONEACIGLMROE-RRQGHBQHSA-N 2 0 332.448 1.144 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000164370392 226068837 /nfs/dbraw/zinc/06/88/37/226068837.db2.gz DEGGPLUBVGAZDG-KOLCDFICSA-N 2 0 329.242 1.517 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000117036525 289215416 /nfs/dbraw/zinc/21/54/16/289215416.db2.gz BATILOQEKFBVDN-HNNXBMFYSA-N 2 0 326.485 1.221 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175669145 442102414 /nfs/dbraw/zinc/10/24/14/442102414.db2.gz HRANLXPPVRHWML-INIZCTEOSA-N 2 0 340.512 1.613 10 0 EDAERP COc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000178720076 442462221 /nfs/dbraw/zinc/46/22/21/442462221.db2.gz NGOHPHLPJHSWFL-HUUCEWRRSA-N 2 0 335.448 1.379 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247237684 442843385 /nfs/dbraw/zinc/84/33/85/442843385.db2.gz MXJLQCWOMXGPJY-WBVHZDCISA-N 2 0 338.496 1.365 10 0 EDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000248462337 442895942 /nfs/dbraw/zinc/89/59/42/442895942.db2.gz VYYLLWLLCPIKKJ-HRCADAONSA-N 2 0 328.501 1.203 10 0 EDAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000184892116 443093649 /nfs/dbraw/zinc/09/36/49/443093649.db2.gz ABDYZAZOJUQDQZ-GOSISDBHSA-N 2 0 345.491 1.996 10 0 EDAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184777164 443075345 /nfs/dbraw/zinc/07/53/45/443075345.db2.gz UJMWPTMYYXTOLE-ZBFHGGJFSA-N 2 0 338.496 1.100 10 0 EDAERP CC[C@@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000191483583 443301173 /nfs/dbraw/zinc/30/11/73/443301173.db2.gz YMICUCZYGIUZTG-RTBURBONSA-N 2 0 340.556 1.180 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638070779 452376466 /nfs/dbraw/zinc/37/64/66/452376466.db2.gz ADBWTBFQHWAMGA-QZTJIDSGSA-N 2 0 334.508 1.538 10 0 EDAERP C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948543 578318349 /nfs/dbraw/zinc/31/83/49/578318349.db2.gz CLFZMVBSHBUQQF-IEBWSBKVSA-N 2 0 331.504 1.943 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000247250701 139142353 /nfs/dbraw/zinc/14/23/53/139142353.db2.gz ZRAGVJNFGKJDSM-RLLQIKCJSA-N 2 0 346.519 1.728 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000249126383 139186666 /nfs/dbraw/zinc/18/66/66/139186666.db2.gz CJDXXSNTMKWJQC-YOEHRIQHSA-N 2 0 344.459 1.382 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000164208761 226053779 /nfs/dbraw/zinc/05/37/79/226053779.db2.gz BDSWTPSIIJVWIK-NSHDSACASA-N 2 0 343.269 1.780 10 0 EDAERP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905372 227354102 /nfs/dbraw/zinc/35/41/02/227354102.db2.gz GURYCJDRFABLKI-QGZVFWFLSA-N 2 0 346.475 1.617 10 0 EDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192801875 272986725 /nfs/dbraw/zinc/98/67/25/272986725.db2.gz GQIIYGVCQWPTJF-HOTGVXAUSA-N 2 0 326.485 1.007 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000194139612 273000600 /nfs/dbraw/zinc/00/06/00/273000600.db2.gz UNZAXCTUPLKLBY-IRXDYDNUSA-N 2 0 339.528 1.042 10 0 EDAERP CC[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249115590 281167025 /nfs/dbraw/zinc/16/70/25/281167025.db2.gz YMICUCZYGIUZTG-OALUTQOASA-N 2 0 340.556 1.180 10 0 EDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C/C=C/CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246969266 288304910 /nfs/dbraw/zinc/30/49/10/288304910.db2.gz DOBZAXOWHIUUBW-XOPZRJDVSA-N 2 0 332.536 1.880 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000174922314 441983490 /nfs/dbraw/zinc/98/34/90/441983490.db2.gz QVDHKUPYPAWPNJ-RTBURBONSA-N 2 0 345.487 1.830 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)CCCOC ZINC000175737940 442114880 /nfs/dbraw/zinc/11/48/80/442114880.db2.gz AXPGASWNCVMJBD-HZPDHXFCSA-N 2 0 326.485 1.223 10 0 EDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000175953229 442152411 /nfs/dbraw/zinc/15/24/11/442152411.db2.gz CPEDQVCFYKLBGK-KRWDZBQOSA-N 2 0 340.512 1.254 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000170860012 442276940 /nfs/dbraw/zinc/27/69/40/442276940.db2.gz YTEIBQOAFMATNF-GOSISDBHSA-N 2 0 330.476 1.210 10 0 EDAERP COc1cccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+](C)C)c1 ZINC000170863042 442278246 /nfs/dbraw/zinc/27/82/46/442278246.db2.gz REXGMZXICCYQMB-NVXWUHKLSA-N 2 0 334.464 1.643 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000192734223 442681464 /nfs/dbraw/zinc/68/14/64/442681464.db2.gz FFOSOUQDISSJOM-UHFFFAOYSA-N 2 0 346.523 1.405 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194421601 442893785 /nfs/dbraw/zinc/89/37/85/442893785.db2.gz ICNBRSNYWAIKAO-QZTJIDSGSA-N 2 0 330.476 1.854 10 0 EDAERP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000248566045 442901568 /nfs/dbraw/zinc/90/15/68/442901568.db2.gz BRMFZFOLHTXNOT-IKGGRYGDSA-N 2 0 340.512 1.205 10 0 EDAERP C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262625421 443203592 /nfs/dbraw/zinc/20/35/92/443203592.db2.gz BOCORQAJJWDIKA-SQNIBIBYSA-N 2 0 337.508 1.583 10 0 EDAERP CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000384391971 319127275 /nfs/dbraw/zinc/12/72/75/319127275.db2.gz SGTIJQLTRCKQBJ-GOSISDBHSA-N 2 0 344.503 1.451 10 0 EDAERP Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000583615969 448441403 /nfs/dbraw/zinc/44/14/03/448441403.db2.gz YNKSJCRFXNUTOV-XJKSGUPXSA-N 2 0 325.372 1.718 10 0 EDAERP COC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000643781174 452633770 /nfs/dbraw/zinc/63/37/70/452633770.db2.gz LBWCYASDXKHHIO-AYBZRNKSSA-N 2 0 331.460 1.392 10 0 EDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cncc(Br)c2)CC1 ZINC000166090728 528249488 /nfs/dbraw/zinc/24/94/88/528249488.db2.gz BZPPRYRWFRVPOY-CQSZACIVSA-N 2 0 327.270 1.872 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000123115263 596864191 /nfs/dbraw/zinc/86/41/91/596864191.db2.gz CKXISCDBQYCVSH-XHSDSOJGSA-N 2 0 326.485 1.221 10 0 EDAERP [NH3+][C@@H](CCN1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000053937011 214206235 /nfs/dbraw/zinc/20/62/35/214206235.db2.gz KYMURPJKTRXGMY-HNNXBMFYSA-N 2 0 342.281 1.449 10 0 EDAERP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247384735 282209151 /nfs/dbraw/zinc/20/91/51/282209151.db2.gz WHDNYJDUYNSDAD-GJZGRUSLSA-N 2 0 327.513 1.704 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1(C)C ZINC000246116757 139095612 /nfs/dbraw/zinc/09/56/12/139095612.db2.gz IDLDRJPEOIOCQY-CVEARBPZSA-N 2 0 338.496 1.365 10 0 EDAERP Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)c(C[NH+](C)C)c1 ZINC000262202660 139259518 /nfs/dbraw/zinc/25/95/18/139259518.db2.gz IHLSMBLXMYUISW-SJORKVTESA-N 2 0 341.459 1.732 10 0 EDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000333112015 285188857 /nfs/dbraw/zinc/18/88/57/285188857.db2.gz GQRPIENJZPSXDN-SJORKVTESA-N 2 0 333.480 1.557 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000194142736 273000750 /nfs/dbraw/zinc/00/07/50/273000750.db2.gz GFIDVVLIXHLJBU-QGZVFWFLSA-N 2 0 348.491 1.911 10 0 EDAERP CN1CC[C@@H]([N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000116278166 441808063 /nfs/dbraw/zinc/80/80/63/441808063.db2.gz IBSWPJHMVVNORK-MOPGFXCFSA-N 2 0 345.487 1.595 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175669167 442103372 /nfs/dbraw/zinc/10/33/72/442103372.db2.gz HRANLXPPVRHWML-MRXNPFEDSA-N 2 0 340.512 1.613 10 0 EDAERP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172843468 442553704 /nfs/dbraw/zinc/55/37/04/442553704.db2.gz JHSFQNRJXDMQGS-QZTJIDSGSA-N 2 0 329.444 1.194 10 0 EDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000246535501 442790930 /nfs/dbraw/zinc/79/09/30/442790930.db2.gz LLGHIVRNOZHLHV-NJAFHUGGSA-N 2 0 346.475 1.279 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@H]1CC ZINC000247093575 442834708 /nfs/dbraw/zinc/83/47/08/442834708.db2.gz MDECEKZBRLQKDW-JKSUJKDBSA-N 2 0 340.512 1.611 10 0 EDAERP CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644867 442912863 /nfs/dbraw/zinc/91/28/63/442912863.db2.gz FTSGCISJZOTFKN-ZBFHGGJFSA-N 2 0 347.463 1.070 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000246113268 443269601 /nfs/dbraw/zinc/26/96/01/443269601.db2.gz HWKNLBULBBOQEO-IKGGRYGDSA-N 2 0 338.496 1.365 10 0 EDAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568499305 321294065 /nfs/dbraw/zinc/29/40/65/321294065.db2.gz FYJBEFJFNRFGQC-UYAOXDASSA-N 3 0 330.520 1.782 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](C)CCOC ZINC000173986729 529304435 /nfs/dbraw/zinc/30/44/35/529304435.db2.gz NVVXPTCNKOZDQC-JKSUJKDBSA-N 2 0 326.485 1.223 10 0 EDAERP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261647273 535555430 /nfs/dbraw/zinc/55/54/30/535555430.db2.gz DYFGJVMJPCUBFE-SJORKVTESA-N 2 0 335.448 1.852 10 0 EDAERP O[C@@H]1CN2Cc3cc4c(cc3[C@H]3[C@H]2C1=C[C@@H]1CCC[NH2+][C@H]31)OCO4 ZINC000004097644 560194897 /nfs/dbraw/zinc/19/48/97/560194897.db2.gz YZJARFWVCIXVDT-AJFPCFFHSA-N 2 0 326.396 1.366 10 0 in-vitro EDAERP [NH3+][C@H](CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000821858148 593954754 /nfs/dbraw/zinc/95/47/54/593954754.db2.gz SNMZBKMARPZHSY-KGLIPLIRSA-N 2 0 334.489 1.741 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000176014384 282137370 /nfs/dbraw/zinc/13/73/70/282137370.db2.gz YUDWHRCNOYTZMO-KRWDZBQOSA-N 2 0 338.496 1.365 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000248601729 139168507 /nfs/dbraw/zinc/16/85/07/139168507.db2.gz JEAXZZYHPOGQNI-CVEARBPZSA-N 2 0 348.491 1.345 10 0 EDAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000262365904 139273639 /nfs/dbraw/zinc/27/36/39/139273639.db2.gz VQSSXYGZVCFMCA-DIECFANBSA-N 2 0 333.480 1.102 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000164427891 226072736 /nfs/dbraw/zinc/07/27/36/226072736.db2.gz SHPCVSLVDXADRF-NXEZZACHSA-N 2 0 327.226 1.293 10 0 EDAERP C[C@H](C(=O)c1c(Br)cnn1CC[NH+](C)C)C1C[NH2+]C1 ZINC000164716505 226095754 /nfs/dbraw/zinc/09/57/54/226095754.db2.gz CLGJLSYKDJUPOS-VIFPVBQESA-N 2 0 329.242 1.245 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000105862030 441293244 /nfs/dbraw/zinc/29/32/44/441293244.db2.gz YWLQJCMOUMGRHG-IRXDYDNUSA-N 2 0 347.503 1.716 10 0 EDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684390 441539753 /nfs/dbraw/zinc/53/97/53/441539753.db2.gz UQUNFKSAUSWHRX-KRWDZBQOSA-N 2 0 325.497 1.414 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000176446682 442223420 /nfs/dbraw/zinc/22/34/20/442223420.db2.gz AXASSUMCJBPKRO-INIZCTEOSA-N 2 0 347.503 1.913 10 0 EDAERP CCCCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588751 442360057 /nfs/dbraw/zinc/36/00/57/442360057.db2.gz DCDKXERBBODUGB-CVEARBPZSA-N 2 0 327.513 1.706 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000191554765 442463003 /nfs/dbraw/zinc/46/30/03/442463003.db2.gz LRTPFJDXYQSITJ-IBGZPJMESA-N 2 0 332.492 1.951 10 0 EDAERP CCO[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C12CCOCC2 ZINC000186322595 442511514 /nfs/dbraw/zinc/51/15/14/442511514.db2.gz CCSHJVIXZDDOJU-MSOLQXFVSA-N 2 0 339.524 1.578 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248460619 442894572 /nfs/dbraw/zinc/89/45/72/442894572.db2.gz SVLAMPJIUJOURW-BRWVUGGUSA-N 2 0 340.512 1.205 10 0 EDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000248905251 442936188 /nfs/dbraw/zinc/93/61/88/442936188.db2.gz BASMLFCAMGIVRE-IXDOHACOSA-N 2 0 326.481 1.397 10 0 EDAERP CC[NH+](CC)CCOc1ccc(NC(=O)CN2CCC([NH3+])CC2)cc1 ZINC000584646836 448588722 /nfs/dbraw/zinc/58/87/22/448588722.db2.gz AWBPPNUHGUROPB-UHFFFAOYSA-N 2 0 348.491 1.769 10 0 EDAERP CCC[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[NH+](C)C ZINC000153184876 527981665 /nfs/dbraw/zinc/98/16/65/527981665.db2.gz YNZYEWBNKOCLJB-QGZVFWFLSA-N 2 0 348.491 1.325 10 0 EDAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C2 ZINC000888097997 591027452 /nfs/dbraw/zinc/02/74/52/591027452.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 2 0 335.496 1.055 10 0 EDAERP COCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097461 591028099 /nfs/dbraw/zinc/02/80/99/591028099.db2.gz JFNQPYNKHKWNEE-TVFCKZIOSA-N 2 0 336.480 1.099 10 0 EDAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1CC1CC1)C2 ZINC000888097149 591028384 /nfs/dbraw/zinc/02/83/84/591028384.db2.gz CKDMXGDPBILQJD-MKXGPGLRSA-N 2 0 332.492 1.862 10 0 EDAERP CN([C@@H](C[NH3+])c1cncc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000166131949 530032638 /nfs/dbraw/zinc/03/26/38/530032638.db2.gz MXJRBAFIJCOVEJ-KGLIPLIRSA-N 2 0 327.270 1.870 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000247251606 139142415 /nfs/dbraw/zinc/14/24/15/139142415.db2.gz UCDPMKUAGSDNQU-ZACQAIPSSA-N 2 0 339.524 1.516 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249281439 139190273 /nfs/dbraw/zinc/19/02/73/139190273.db2.gz GOAXNFZEOCGXBI-RBUKOAKNSA-N 2 0 344.503 1.576 10 0 EDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000261807547 139227826 /nfs/dbraw/zinc/22/78/26/139227826.db2.gz NBAHYSMLEUBVHV-WBOJAVRRSA-N 2 0 337.414 1.902 10 0 EDAERP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262273846 139265586 /nfs/dbraw/zinc/26/55/86/139265586.db2.gz SWLSUJZFXGALQS-VMNRDUPSSA-N 2 0 343.471 1.472 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000117477906 221068094 /nfs/dbraw/zinc/06/80/94/221068094.db2.gz MUNWSDZIGDITGL-IRXDYDNUSA-N 2 0 340.512 1.471 10 0 EDAERP CC[NH2+]C[C@H]1O[C@H](Cc2cc(C[NH+]3CCCCC3)on2)CC[C@@H]1O ZINC000096295996 257844916 /nfs/dbraw/zinc/84/49/16/257844916.db2.gz QKTHXMMMBCWTJY-RYQLBKOJSA-N 2 0 337.464 1.721 10 0 EDAERP C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121127917 287368300 /nfs/dbraw/zinc/36/83/00/287368300.db2.gz GRNVEFADGDIFLT-CABCVRRESA-N 2 0 328.501 1.109 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000164414604 226070610 /nfs/dbraw/zinc/07/06/10/226070610.db2.gz MIWSTYSHRTYAPA-GHMZBOCLSA-N 2 0 343.269 1.765 10 0 EDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000166133195 226149565 /nfs/dbraw/zinc/14/95/65/226149565.db2.gz HITJUWPVHKMCJJ-KGLIPLIRSA-N 2 0 327.270 1.870 10 0 EDAERP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000157862189 276928622 /nfs/dbraw/zinc/92/86/22/276928622.db2.gz PMQUBDYKHJBYFT-QZTJIDSGSA-N 2 0 330.476 1.291 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000247126926 278395848 /nfs/dbraw/zinc/39/58/48/278395848.db2.gz KBAFHPSBFUCISN-IAGOWNOFSA-N 2 0 339.524 1.802 10 0 EDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174624343 280385698 /nfs/dbraw/zinc/38/56/98/280385698.db2.gz AXVOVZKXEHYKRV-CRAIPNDOSA-N 2 0 333.476 1.665 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC(C)CC2)CC1 ZINC000105862227 441293150 /nfs/dbraw/zinc/29/31/50/441293150.db2.gz SNNCUXXVNYSSNR-INIZCTEOSA-N 2 0 325.497 1.270 10 0 EDAERP COCC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106911616 441389161 /nfs/dbraw/zinc/38/91/61/441389161.db2.gz SCPNLBLAUDFITE-GOSISDBHSA-N 2 0 333.476 1.386 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792653 441847627 /nfs/dbraw/zinc/84/76/27/441847627.db2.gz PTCKYWYZEHDFFE-OALUTQOASA-N 2 0 345.487 1.688 10 0 EDAERP COCCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204957 /nfs/dbraw/zinc/20/49/57/442204957.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 0 340.512 1.469 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170861707 442277862 /nfs/dbraw/zinc/27/78/62/442277862.db2.gz HBXOOJMKQARDPU-GOSISDBHSA-N 2 0 330.476 1.997 10 0 EDAERP O=C(Nc1ccccc1CN1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171890992 442387484 /nfs/dbraw/zinc/38/74/84/442387484.db2.gz ZQRXRKLLJDFUND-KRWDZBQOSA-N 2 0 344.459 1.831 10 0 EDAERP CC1CC[NH+](CCCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000192801095 442687574 /nfs/dbraw/zinc/68/75/74/442687574.db2.gz JCRDZFQCDPEJHT-QGZVFWFLSA-N 2 0 340.512 1.254 10 0 EDAERP CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000182039015 442730379 /nfs/dbraw/zinc/73/03/79/442730379.db2.gz UEFSYEBWDJXJPO-SJORKVTESA-N 2 0 340.512 1.205 10 0 EDAERP CC[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247037385 442831285 /nfs/dbraw/zinc/83/12/85/442831285.db2.gz DMQKDWDWGVKUCU-QZTJIDSGSA-N 2 0 333.476 1.628 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185813492 443262739 /nfs/dbraw/zinc/26/27/39/443262739.db2.gz YJCPWEJPHXENHB-IAGOWNOFSA-N 2 0 341.544 1.288 10 0 EDAERP CC(C)[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000638512625 451552611 /nfs/dbraw/zinc/55/26/11/451552611.db2.gz HICZQNZRCFFSGN-SFHVURJKSA-N 2 0 345.487 1.863 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000638834328 451705290 /nfs/dbraw/zinc/70/52/90/451705290.db2.gz FHRBNVAPJOAKOG-RDJZCZTQSA-N 2 0 331.460 1.379 10 0 EDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181060623 534026352 /nfs/dbraw/zinc/02/63/52/534026352.db2.gz LRDZUOVBAINLNW-SJLPKXTDSA-N 2 0 348.491 1.479 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1CC ZINC000246164423 535593433 /nfs/dbraw/zinc/59/34/33/535593433.db2.gz CXZWWGPVOSUWKC-LSDHHAIUSA-N 2 0 329.510 1.041 10 0 EDAERP CCCC[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117042110 201077156 /nfs/dbraw/zinc/07/71/56/201077156.db2.gz WZVDMSZGXXNFMY-INIZCTEOSA-N 2 0 326.485 1.223 10 0 EDAERP CC(C)[N@H+]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000158941151 205383526 /nfs/dbraw/zinc/38/35/26/205383526.db2.gz KVYMMIVOSLLROB-RDJZCZTQSA-N 2 0 345.491 1.292 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111606392 220169663 /nfs/dbraw/zinc/16/96/63/220169663.db2.gz MOMONYVLRJQQIA-IBGZPJMESA-N 2 0 344.503 1.751 10 0 EDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000237991289 139065868 /nfs/dbraw/zinc/06/58/68/139065868.db2.gz RKEVYWCYYAJAAX-ROUUACIJSA-N 2 0 330.476 1.048 10 0 EDAERP C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247404405 139147659 /nfs/dbraw/zinc/14/76/59/139147659.db2.gz YWLQJCMOUMGRHG-DLBZAZTESA-N 2 0 347.503 1.716 10 0 EDAERP CC1(C)C[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261613781 139211028 /nfs/dbraw/zinc/21/10/28/139211028.db2.gz CKZUMRKMPVVDBR-HNNXBMFYSA-N 2 0 332.448 1.462 10 0 EDAERP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)N1CCOCC1 ZINC000261655558 139214827 /nfs/dbraw/zinc/21/48/27/139214827.db2.gz FJOPWJZAORTZFY-CZUORRHYSA-N 2 0 337.851 1.534 10 0 EDAERP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262028079 139244997 /nfs/dbraw/zinc/24/49/97/139244997.db2.gz PEJAOGQWIDRQSM-KURKYZTESA-N 2 0 331.460 1.616 10 0 EDAERP C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180592537 207804668 /nfs/dbraw/zinc/80/46/68/207804668.db2.gz LONWSQNARAKQRA-GDBMZVCRSA-N 2 0 329.448 1.884 10 0 EDAERP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000263163720 139325966 /nfs/dbraw/zinc/32/59/66/139325966.db2.gz FAIXJBOXCOQCQP-INIZCTEOSA-N 2 0 327.432 1.909 10 0 EDAERP C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000120558926 442094435 /nfs/dbraw/zinc/09/44/35/442094435.db2.gz RIQFMEOEASSMFQ-JKIFEVAISA-N 2 0 339.505 1.976 10 0 EDAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000172321802 442444223 /nfs/dbraw/zinc/44/42/23/442444223.db2.gz UBTMGRDOMPOTQA-KRWDZBQOSA-N 2 0 340.512 1.611 10 0 EDAERP CCC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000188157879 442718203 /nfs/dbraw/zinc/71/82/03/442718203.db2.gz PMYKYQJKZRSSRM-AZUAARDMSA-N 2 0 347.503 1.812 10 0 EDAERP C[C@@H](CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182675703 442804702 /nfs/dbraw/zinc/80/47/02/442804702.db2.gz FZMUCCJMCUTUEW-JKSUJKDBSA-N 2 0 326.485 1.223 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183222786 442906943 /nfs/dbraw/zinc/90/69/43/442906943.db2.gz NBNKVGYWZBHSAV-INIZCTEOSA-N 2 0 334.464 1.578 10 0 EDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(CCOC)[C@@H](CC)C2)C1(C)C ZINC000249063588 442949028 /nfs/dbraw/zinc/94/90/28/442949028.db2.gz HVDFHDYQIZJTQV-DAYGRLMNSA-N 2 0 341.496 1.088 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616636064 450456713 /nfs/dbraw/zinc/45/67/13/450456713.db2.gz QWNJVGLWAAXHPP-INIZCTEOSA-N 2 0 334.464 1.963 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638856867 451711886 /nfs/dbraw/zinc/71/18/86/451711886.db2.gz VFPLVOYBWQZGKK-BPQIPLTHSA-N 2 0 331.460 1.107 10 0 EDAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236612325 535202610 /nfs/dbraw/zinc/20/26/10/535202610.db2.gz GSCLOXBKZNFFAB-GOSISDBHSA-N 2 0 330.476 1.780 10 0 EDAERP [NH3+]C[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026509396 201060918 /nfs/dbraw/zinc/06/09/18/201060918.db2.gz UHXJPVZGVALGRD-LJQANCHMSA-N 2 0 325.456 1.713 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000246934638 139127553 /nfs/dbraw/zinc/12/75/53/139127553.db2.gz BWYAKUQASRYFJV-JKSUJKDBSA-N 2 0 328.501 1.469 10 0 EDAERP CN1Cc2ccc(NC(=O)C(=O)N3CCN4CCCC[C@H]4C3)cc2C1 ZINC000247134701 139137307 /nfs/dbraw/zinc/13/73/07/139137307.db2.gz SOIIDTFDPMMDAA-KRWDZBQOSA-N 2 0 342.443 1.267 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261847103 139231136 /nfs/dbraw/zinc/23/11/36/139231136.db2.gz QCXXTZSEPBXFIF-BZZMCLGOSA-N 2 0 331.460 1.632 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000116782990 289201208 /nfs/dbraw/zinc/20/12/08/289201208.db2.gz UIPIEAHAAHZUNG-GOSISDBHSA-N 2 0 331.460 1.685 10 0 EDAERP COCCCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915130 441315733 /nfs/dbraw/zinc/31/57/33/441315733.db2.gz NWONXDYCQVZBEX-GOSISDBHSA-N 2 0 327.513 1.530 10 0 EDAERP CN1CC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000116278148 441807636 /nfs/dbraw/zinc/80/76/36/441807636.db2.gz DGYGHRULHCGOGV-ZWKOTPCHSA-N 2 0 331.460 1.252 10 0 EDAERP C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)([NH+](C)C)C1 ZINC000117037380 441862488 /nfs/dbraw/zinc/86/24/88/441862488.db2.gz KGKYDIXKEJSMSW-NUJGCVRESA-N 2 0 340.512 1.469 10 0 EDAERP CC(C)N1CC[C@@H](N(C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000175191907 442013672 /nfs/dbraw/zinc/01/36/72/442013672.db2.gz GXRMCJGLNXEIKB-QGZVFWFLSA-N 2 0 333.480 1.289 10 0 EDAERP C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000120559083 442094809 /nfs/dbraw/zinc/09/48/09/442094809.db2.gz RIQFMEOEASSMFQ-GRDNDAEWSA-N 2 0 339.505 1.976 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171200652 442326924 /nfs/dbraw/zinc/32/69/24/442326924.db2.gz MAWHNNNGNHTSIL-INIZCTEOSA-N 2 0 326.485 1.271 10 0 EDAERP COc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000171898024 442387905 /nfs/dbraw/zinc/38/79/05/442387905.db2.gz HUVACTLQMRKQEP-SJLPKXTDSA-N 2 0 346.475 1.788 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000179856437 442512293 /nfs/dbraw/zinc/51/22/93/442512293.db2.gz HPAVZTMBCVRKJA-JKSUJKDBSA-N 2 0 339.524 1.563 10 0 EDAERP CCn1cnnc1C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000193000951 442704446 /nfs/dbraw/zinc/70/44/46/442704446.db2.gz ULQGVWXHUFHLDL-UHFFFAOYSA-N 2 0 348.539 1.894 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181715862 442711779 /nfs/dbraw/zinc/71/17/79/442711779.db2.gz YBSLCSAOCOJPFF-CVEARBPZSA-N 2 0 340.512 1.347 10 0 EDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000247127917 442837481 /nfs/dbraw/zinc/83/74/81/442837481.db2.gz SCIBBCFMIHBYSY-ARFHVFGLSA-N 2 0 326.485 1.005 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1C ZINC000248571205 442901345 /nfs/dbraw/zinc/90/13/45/442901345.db2.gz CQMVVGOLRLFDGT-HRCADAONSA-N 2 0 342.528 1.449 10 0 EDAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248611912 442906698 /nfs/dbraw/zinc/90/66/98/442906698.db2.gz LAUFWTXVHHGAFU-HOTGVXAUSA-N 2 0 340.512 1.205 10 0 EDAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184708244 443063915 /nfs/dbraw/zinc/06/39/15/443063915.db2.gz VAQMGWKOLQFTBU-WBVHZDCISA-N 2 0 340.512 1.346 10 0 EDAERP CO[C@H](C[NH3+])CC(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000262861859 443216127 /nfs/dbraw/zinc/21/61/27/443216127.db2.gz LKRYFCDMKKWEJT-NUJGCVRESA-N 2 0 347.503 1.965 10 0 EDAERP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c2)CC1 ZINC000262451959 535280965 /nfs/dbraw/zinc/28/09/65/535280965.db2.gz UTKSCZFPKRJQAW-MSOLQXFVSA-N 2 0 331.460 1.258 10 0 EDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247447597 536860875 /nfs/dbraw/zinc/86/08/75/536860875.db2.gz SMKCGSYFVRIZRZ-ARFHVFGLSA-N 2 0 326.485 1.125 10 0 EDAERP CN(C(=O)NC1CC[NH+](C)CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109391706 138305843 /nfs/dbraw/zinc/30/58/43/138305843.db2.gz ZLQWOAIKPFMXMZ-UHFFFAOYSA-N 2 0 348.495 1.083 10 0 EDAERP CCc1nccn1[C@H]1CCC[N@H+](CCCNS(=O)(=O)CC)C1 ZINC000132677867 138380514 /nfs/dbraw/zinc/38/05/14/138380514.db2.gz IUFGIMFDTJRJBF-AWEZNQCLSA-N 2 0 328.482 1.412 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152409385 204307370 /nfs/dbraw/zinc/30/73/70/204307370.db2.gz DVCUTUOPLPKBGB-HZPDHXFCSA-N 2 0 326.485 1.079 10 0 EDAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CCOCC1 ZINC000123230476 204907727 /nfs/dbraw/zinc/90/77/27/204907727.db2.gz NLRFQTZGRVYWFR-IRXDYDNUSA-N 2 0 335.492 1.998 10 0 EDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000238012477 139066393 /nfs/dbraw/zinc/06/63/93/139066393.db2.gz YMAYAJZEEVVLPT-SJORKVTESA-N 2 0 337.508 1.903 10 0 EDAERP CC[C@@H]1CN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000246158103 139097113 /nfs/dbraw/zinc/09/71/13/139097113.db2.gz AAABBHNYBHLALP-ZMSDIMECSA-N 2 0 325.497 1.316 10 0 EDAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000246957980 139128530 /nfs/dbraw/zinc/12/85/30/139128530.db2.gz DIICBJCLDJOCSG-NCOADZHNSA-N 2 0 338.496 1.364 10 0 EDAERP CC1(C)C[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000261613782 139211125 /nfs/dbraw/zinc/21/11/25/139211125.db2.gz CKZUMRKMPVVDBR-OAHLLOKOSA-N 2 0 332.448 1.462 10 0 EDAERP C[NH+](C)CC[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000117052411 221028433 /nfs/dbraw/zinc/02/84/33/221028433.db2.gz FALKFAAXTQCXEK-LSDHHAIUSA-N 2 0 328.501 1.325 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000105862410 290084718 /nfs/dbraw/zinc/08/47/18/290084718.db2.gz KBAFHPSBFUCISN-IRXDYDNUSA-N 2 0 339.524 1.802 10 0 EDAERP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000113447372 441609998 /nfs/dbraw/zinc/60/99/98/441609998.db2.gz TXPJLKMGSUZDAA-MJGOQNOKSA-N 2 0 346.519 1.159 10 0 EDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117038189 441863637 /nfs/dbraw/zinc/86/36/37/441863637.db2.gz OXVTWUQZNSRMMQ-JKSUJKDBSA-N 2 0 340.512 1.469 10 0 EDAERP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCOCC1 ZINC000123319301 441883777 /nfs/dbraw/zinc/88/37/77/441883777.db2.gz PVKJRIPKNBYAGX-SJORKVTESA-N 2 0 335.492 1.998 10 0 EDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000154081044 442319976 /nfs/dbraw/zinc/31/99/76/442319976.db2.gz FVGPVHNXJJPNMZ-IRXDYDNUSA-N 2 0 340.512 1.397 10 0 EDAERP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476707 442904533 /nfs/dbraw/zinc/90/45/33/442904533.db2.gz QDWUNEVIUKVZPD-IAGOWNOFSA-N 2 0 340.512 1.253 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000249079921 442949895 /nfs/dbraw/zinc/94/98/95/442949895.db2.gz CPDSBBFZGLEZKH-OWCLPIDISA-N 2 0 340.512 1.202 10 0 EDAERP [NH3+]CCCCCCNC(=O)CCCC(=O)NCCCCCC[NH3+] ZINC000225821516 443120128 /nfs/dbraw/zinc/12/01/28/443120128.db2.gz MQCMHWXXRIAING-UHFFFAOYSA-N 2 0 328.501 1.427 10 0 EDAERP C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000262625418 443203920 /nfs/dbraw/zinc/20/39/20/443203920.db2.gz BOCORQAJJWDIKA-KURKYZTESA-N 2 0 337.508 1.583 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616653793 450457739 /nfs/dbraw/zinc/45/77/39/450457739.db2.gz KFJRMDUKMOXUGN-MRXNPFEDSA-N 2 0 334.464 1.963 10 0 EDAERP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000638851598 451710318 /nfs/dbraw/zinc/71/03/18/451710318.db2.gz KNEKPMAWQSWXKX-POAQFYNOSA-N 2 0 345.487 1.639 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643780291 452631506 /nfs/dbraw/zinc/63/15/06/452631506.db2.gz BTRVGPCOLDARKG-WMZOPIPTSA-N 2 0 331.460 1.345 10 0 EDAERP C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643792736 452658702 /nfs/dbraw/zinc/65/87/02/452658702.db2.gz QCXLEGXURYZILY-RYQLBKOJSA-N 2 0 331.460 1.249 10 0 EDAERP [NH3+]Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)o1 ZINC000186584056 486701490 /nfs/dbraw/zinc/70/14/90/486701490.db2.gz RLIBNVUZYTXBLM-HNNXBMFYSA-N 2 0 328.416 1.918 10 0 EDAERP CN1CC[NH2+]C[C@H]1c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000263147941 535913837 /nfs/dbraw/zinc/91/38/37/535913837.db2.gz CVPGMGGPRUFSJW-AWEZNQCLSA-N 2 0 331.420 1.253 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](C)CCOC ZINC000246318714 536165211 /nfs/dbraw/zinc/16/52/11/536165211.db2.gz NVVXPTCNKOZDQC-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)ccn2)CC1 ZINC000261829964 536418567 /nfs/dbraw/zinc/41/85/67/536418567.db2.gz IFPKTYNBUDVWEI-HNNXBMFYSA-N 2 0 331.464 1.033 10 0 EDAERP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1CCC[NH2+]C1 ZINC000131790562 597741254 /nfs/dbraw/zinc/74/12/54/597741254.db2.gz RCPMGWPLGNOYLM-HOCLYGCPSA-N 2 0 331.416 1.534 10 0 EDAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000246308308 539614735 /nfs/dbraw/zinc/61/47/35/539614735.db2.gz DPBLDNMZPBSINE-HRCADAONSA-N 2 0 330.480 1.704 10 0 EDAERP COc1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)nn1C ZINC000093735093 138294580 /nfs/dbraw/zinc/29/45/80/138294580.db2.gz UFOBBNZRRBBMJZ-UHFFFAOYSA-N 2 0 336.480 1.814 10 0 EDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073130846 203256223 /nfs/dbraw/zinc/25/62/23/203256223.db2.gz QBWZRODZKANJPV-KRWDZBQOSA-N 2 0 333.476 1.386 10 0 EDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246681287 139117571 /nfs/dbraw/zinc/11/75/71/139117571.db2.gz AXVOVZKXEHYKRV-MAUKXSAKSA-N 2 0 333.476 1.665 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)CN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249275458 139190245 /nfs/dbraw/zinc/19/02/45/139190245.db2.gz CVJSMLCYPJOSRA-ZWKOTPCHSA-N 2 0 330.476 1.186 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000262065582 139247844 /nfs/dbraw/zinc/24/78/44/139247844.db2.gz BFVHGFWOBYPTPX-PMPSAXMXSA-N 2 0 347.488 1.204 10 0 EDAERP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)CC(C)C ZINC000117029605 221024350 /nfs/dbraw/zinc/02/43/50/221024350.db2.gz GRCMAEHMDGFTCY-IRXDYDNUSA-N 2 0 342.528 1.715 10 0 EDAERP C[C@@H](CCC[NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164702499 533547183 /nfs/dbraw/zinc/54/71/83/533547183.db2.gz BIOZBRNQTYXJBN-JTQLQIEISA-N 2 0 331.258 1.765 10 0 EDAERP C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333475967 141323646 /nfs/dbraw/zinc/32/36/46/141323646.db2.gz BLZNNUWMPFHPIG-BFYDXBDKSA-N 2 0 338.496 1.269 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114021142 279127436 /nfs/dbraw/zinc/12/74/36/279127436.db2.gz BIZAZXMVPZPCDQ-OAHLLOKOSA-N 2 0 328.501 1.373 10 0 EDAERP C[C@H](C(=O)N(C)C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915750 441316214 /nfs/dbraw/zinc/31/62/14/441316214.db2.gz QJUDXYSRWUCNNU-APWZRJJASA-N 2 0 347.503 1.841 10 0 EDAERP CCC(CC)[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)N1CCOCC1 ZINC000173562204 441792412 /nfs/dbraw/zinc/79/24/12/441792412.db2.gz ZDSVMKYHULDLSL-DLBZAZTESA-N 2 0 325.497 1.724 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000117022289 441863577 /nfs/dbraw/zinc/86/35/77/441863577.db2.gz DEVLQSUMQVQFBW-KBPBESRZSA-N 2 0 340.493 1.323 10 0 EDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117036929 441863749 /nfs/dbraw/zinc/86/37/49/441863749.db2.gz ABLNYIURJLNZRG-QZTJIDSGSA-N 2 0 348.491 1.131 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000121190485 442189650 /nfs/dbraw/zinc/18/96/50/442189650.db2.gz XBDYVQOSZITPAP-RDJZCZTQSA-N 2 0 340.512 1.515 10 0 EDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)[nH+]1 ZINC000246682208 442801358 /nfs/dbraw/zinc/80/13/58/442801358.db2.gz HHZGOLIAPROWHU-IXDOHACOSA-N 2 0 346.475 1.808 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182375833 442761481 /nfs/dbraw/zinc/76/14/81/442761481.db2.gz AQPSDLWLNGDWNZ-QGZVFWFLSA-N 2 0 341.544 1.242 10 0 EDAERP CC[C@@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000249115594 442952702 /nfs/dbraw/zinc/95/27/02/442952702.db2.gz YMICUCZYGIUZTG-RBUKOAKNSA-N 2 0 340.556 1.180 10 0 EDAERP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000249878256 443008733 /nfs/dbraw/zinc/00/87/33/443008733.db2.gz MLNMIURAZVYELJ-IXDOHACOSA-N 2 0 335.448 1.372 10 0 EDAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCNC1=O ZINC000245667512 443242829 /nfs/dbraw/zinc/24/28/29/443242829.db2.gz BCGUDRBNAHSEBK-ROUUACIJSA-N 2 0 331.460 1.252 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247017816 535121443 /nfs/dbraw/zinc/12/14/43/535121443.db2.gz GAOFGAYGOUHLCB-YESZJQIVSA-N 2 0 338.496 1.221 10 0 EDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706565 535950619 /nfs/dbraw/zinc/95/06/19/535950619.db2.gz MNGVYBWAOONMIH-RDJZCZTQSA-N 2 0 327.513 1.957 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000117031957 282137396 /nfs/dbraw/zinc/13/73/96/282137396.db2.gz WTTQJCLGJFZSIY-KRWDZBQOSA-N 2 0 340.512 1.613 10 0 EDAERP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cn1 ZINC000188406592 540158882 /nfs/dbraw/zinc/15/88/82/540158882.db2.gz GREGXUWSJMGQML-AWEZNQCLSA-N 2 0 333.461 1.841 10 0 EDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000105845667 204169270 /nfs/dbraw/zinc/16/92/70/204169270.db2.gz QZZMSEAIUNWZHR-FQEVSTJZSA-N 2 0 331.504 1.956 10 0 EDAERP Cc1cccc(N2CC[NH+](CCC(=O)N3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000237718287 139058541 /nfs/dbraw/zinc/05/85/41/139058541.db2.gz DBLJYYUXPHIHGL-IBGZPJMESA-N 2 0 344.503 1.847 10 0 EDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246138802 139096294 /nfs/dbraw/zinc/09/62/94/139096294.db2.gz NLSSXKPIRFYONT-HOTGVXAUSA-N 2 0 326.485 1.080 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1C ZINC000248571214 139167874 /nfs/dbraw/zinc/16/78/74/139167874.db2.gz CQMVVGOLRLFDGT-OWCLPIDISA-N 2 0 342.528 1.449 10 0 EDAERP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000248557106 139167346 /nfs/dbraw/zinc/16/73/46/139167346.db2.gz BQJGBTGDPNNYNQ-KCITZHQASA-N 2 0 345.487 1.923 10 0 EDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262109060 139251609 /nfs/dbraw/zinc/25/16/09/139251609.db2.gz FESDVHVHHLTZFH-SJORKVTESA-N 2 0 341.459 1.732 10 0 EDAERP O=C(N1CCC([NH+]2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262372461 139273941 /nfs/dbraw/zinc/27/39/41/139273941.db2.gz WFQYNKKMNSIKLK-UHFFFAOYSA-N 2 0 331.464 1.049 10 0 EDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117038187 221027330 /nfs/dbraw/zinc/02/73/30/221027330.db2.gz OXVTWUQZNSRMMQ-HZPDHXFCSA-N 2 0 340.512 1.469 10 0 EDAERP C[NH2+]Cc1ccc(Br)cc1N1CC[NH+](CCO)CC1 ZINC000036231679 132391938 /nfs/dbraw/zinc/39/19/38/132391938.db2.gz JVLBFYZMJDCFPS-UHFFFAOYSA-N 2 0 328.254 1.283 10 0 EDAERP CCC[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+](C)C ZINC000245734073 287717460 /nfs/dbraw/zinc/71/74/60/287717460.db2.gz CTBLGYVWKPTFIF-KZNAEPCWSA-N 2 0 338.540 1.734 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105233348 441244302 /nfs/dbraw/zinc/24/43/02/441244302.db2.gz ZUYAXVBXRSAWQL-QGZVFWFLSA-N 2 0 338.496 1.367 10 0 EDAERP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000116567400 441830310 /nfs/dbraw/zinc/83/03/10/441830310.db2.gz HTCBTYIEMKRDTK-CVEARBPZSA-N 2 0 342.528 1.499 10 0 EDAERP COCC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000140260161 441836084 /nfs/dbraw/zinc/83/60/84/441836084.db2.gz SOHYZRBPXQQYGF-GOSISDBHSA-N 2 0 348.491 1.699 10 0 EDAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000173977696 441873750 /nfs/dbraw/zinc/87/37/50/441873750.db2.gz ZJPWFMSQWUEVDC-SFHVURJKSA-N 2 0 330.476 1.605 10 0 EDAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000176625344 442241244 /nfs/dbraw/zinc/24/12/44/442241244.db2.gz CYVSRKOPGYJGEG-QGZVFWFLSA-N 2 0 338.496 1.365 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249748618 443002961 /nfs/dbraw/zinc/00/29/61/443002961.db2.gz AZLZEXFZOFLWBM-QZTJIDSGSA-N 2 0 332.492 1.943 10 0 EDAERP O=C(C[C@H]1CCC[NH2+]C1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390997991 325734277 /nfs/dbraw/zinc/73/42/77/325734277.db2.gz MJDRWZYHSGOLAG-LJQANCHMSA-N 2 0 344.503 1.310 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993659 447490277 /nfs/dbraw/zinc/49/02/77/447490277.db2.gz PNKUCVVWQFVOPF-SJLPKXTDSA-N 2 0 344.503 1.307 10 0 EDAERP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391027587 447509550 /nfs/dbraw/zinc/50/95/50/447509550.db2.gz UCRHCLOWYKOONJ-RBUKOAKNSA-N 2 0 345.487 1.783 10 0 EDAERP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000671619719 486678235 /nfs/dbraw/zinc/67/82/35/486678235.db2.gz CSTYZRLQCBAPST-MAUKXSAKSA-N 2 0 335.496 1.603 10 0 EDAERP O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000124498408 138327157 /nfs/dbraw/zinc/32/71/57/138327157.db2.gz VDAQZUIFGMUOBG-UHFFFAOYSA-N 2 0 338.455 1.975 10 0 EDAERP C[NH2+]Cc1cc(Br)cnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191696 202341199 /nfs/dbraw/zinc/34/11/99/202341199.db2.gz OYWGTTHBYJSYOO-LLVKDONJSA-N 2 0 327.270 1.951 10 0 EDAERP C[NH+]1CCC(Oc2cccc3c2CN(C(C)(C)CO)[C@H]3C[NH3+])CC1 ZINC000071684984 203103062 /nfs/dbraw/zinc/10/30/62/203103062.db2.gz JOMTVADZHIIXAV-KRWDZBQOSA-N 2 0 333.476 1.746 10 0 EDAERP C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCN(CCO)CC1 ZINC000043091892 204211964 /nfs/dbraw/zinc/21/19/64/204211964.db2.gz SZNMVLGNZYWHHD-SWLSCSKDSA-N 2 0 342.281 1.447 10 0 EDAERP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCN(CCO)CC1 ZINC000043091889 204212243 /nfs/dbraw/zinc/21/22/43/204212243.db2.gz SZNMVLGNZYWHHD-DOMZBBRYSA-N 2 0 342.281 1.447 10 0 EDAERP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000195334446 139014752 /nfs/dbraw/zinc/01/47/52/139014752.db2.gz GXGRLMXEVGLYDA-LJQANCHMSA-N 2 0 342.487 1.354 10 0 EDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000245607176 139080781 /nfs/dbraw/zinc/08/07/81/139080781.db2.gz RLOFYICGEDSCBI-BBWFWOEESA-N 2 0 340.512 1.205 10 0 EDAERP C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000245581730 139079973 /nfs/dbraw/zinc/07/99/73/139079973.db2.gz BREOGXJYGUKCHK-FRQCXROJSA-N 2 0 347.503 1.874 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000252443871 139204429 /nfs/dbraw/zinc/20/44/29/139204429.db2.gz QHWWLFUDXMFLAQ-LPHOPBHVSA-N 2 0 342.487 1.923 10 0 EDAERP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000261799287 139227032 /nfs/dbraw/zinc/22/70/32/139227032.db2.gz GXIOZEYJTYVMNE-MSOLQXFVSA-N 2 0 331.460 1.521 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000333677739 141354949 /nfs/dbraw/zinc/35/49/49/141354949.db2.gz OHCQULIBVLVIDG-DLBZAZTESA-N 2 0 346.475 1.534 10 0 EDAERP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121128066 287368390 /nfs/dbraw/zinc/36/83/90/287368390.db2.gz GRNVEFADGDIFLT-LSDHHAIUSA-N 2 0 328.501 1.109 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000192797041 272986471 /nfs/dbraw/zinc/98/64/71/272986471.db2.gz WEIAACIWXUKWMO-MSOLQXFVSA-N 2 0 348.491 1.435 10 0 EDAERP C[C@@H]1CN(c2cc(N3C[C@H](C)[C@H]([NH+](C)C)C3)ncn2)C[C@@H]1[NH+](C)C ZINC000126911459 297077926 /nfs/dbraw/zinc/07/79/26/297077926.db2.gz HWYZDUVAKKRSJT-SYMSYNOKSA-N 2 0 332.496 1.249 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000114834390 441688190 /nfs/dbraw/zinc/68/81/90/441688190.db2.gz XXQMNLCFNQSTCK-ZWKOTPCHSA-N 2 0 330.476 1.997 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000171377498 442344635 /nfs/dbraw/zinc/34/46/35/442344635.db2.gz YMMGHNNRWIYXBI-RTBURBONSA-N 2 0 344.503 1.897 10 0 EDAERP CCO[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C12CCOCC2 ZINC000186215434 442488702 /nfs/dbraw/zinc/48/87/02/442488702.db2.gz KCRUSNBLILZESP-SJORKVTESA-N 2 0 325.497 1.188 10 0 EDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754421 442475551 /nfs/dbraw/zinc/47/55/51/442475551.db2.gz AXPHRKRJPFTHTO-AWEZNQCLSA-N 2 0 329.429 1.926 10 0 EDAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000192804999 442688003 /nfs/dbraw/zinc/68/80/03/442688003.db2.gz RVXNZSPDHATTBQ-GOSISDBHSA-N 2 0 348.491 1.394 10 0 EDAERP CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000182039033 442730628 /nfs/dbraw/zinc/73/06/28/442730628.db2.gz UEFSYEBWDJXJPO-IAGOWNOFSA-N 2 0 340.512 1.205 10 0 EDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390912854 447506979 /nfs/dbraw/zinc/50/69/79/447506979.db2.gz YKDQIHQORYHVLO-KBAYOESNSA-N 2 0 331.460 1.249 10 0 EDAERP C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643792737 452658767 /nfs/dbraw/zinc/65/87/67/452658767.db2.gz QCXLEGXURYZILY-SZMVWBNQSA-N 2 0 331.460 1.249 10 0 EDAERP Cc1ccncc1[C@H]([NH3+])c1c(Br)cnn1CC[NH+](C)C ZINC000168015990 534430371 /nfs/dbraw/zinc/43/03/71/534430371.db2.gz MKSHQNMFEKGENV-ZDUSSCGKSA-N 2 0 338.253 1.959 10 0 EDAERP CC[NH+](CC)CCN1C(N)=[NH+]C[C@H]1c1cncc(Br)c1 ZINC000166765552 528126636 /nfs/dbraw/zinc/12/66/36/528126636.db2.gz BLYGFJKIEABNIE-ZDUSSCGKSA-N 2 0 340.269 1.857 10 0 EDAERP CC[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1CCOC ZINC000184235698 529267950 /nfs/dbraw/zinc/26/79/50/529267950.db2.gz YMXXQTCFMRQADN-INIZCTEOSA-N 2 0 325.497 1.855 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000247027734 535158571 /nfs/dbraw/zinc/15/85/71/535158571.db2.gz QOZIAYSOALFRDZ-QFBILLFUSA-N 2 0 337.508 1.602 10 0 EDAERP CC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000246574672 139113466 /nfs/dbraw/zinc/11/34/66/139113466.db2.gz VEXXWQZEQKVCHY-CGTJXYLNSA-N 2 0 333.476 1.892 10 0 EDAERP C[N@@H+]1CCC[C@@H]2CN(c3nc(NN)[nH+]cc3Br)CC[C@@H]21 ZINC000166917132 206535653 /nfs/dbraw/zinc/53/56/53/206535653.db2.gz MAPXJKXSEMEPOK-KOLCDFICSA-N 2 0 341.257 1.445 10 0 EDAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000248639697 139169602 /nfs/dbraw/zinc/16/96/02/139169602.db2.gz RAJRIQSFDZHOJC-SJORKVTESA-N 2 0 342.528 1.592 10 0 EDAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000093290691 218211228 /nfs/dbraw/zinc/21/12/28/218211228.db2.gz HGPOGQJMSKWQLN-SJLPKXTDSA-N 2 0 345.491 1.828 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031769 221025182 /nfs/dbraw/zinc/02/51/82/221025182.db2.gz OFYRHLMEFHBXER-IRXDYDNUSA-N 2 0 340.512 1.469 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000333677742 141355194 /nfs/dbraw/zinc/35/51/94/141355194.db2.gz OHCQULIBVLVIDG-SJORKVTESA-N 2 0 346.475 1.534 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)C12CCOCC2 ZINC000248973377 286284443 /nfs/dbraw/zinc/28/44/43/286284443.db2.gz HCFNWRARHNJWHQ-RCCFBDPRSA-N 2 0 339.524 1.576 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000117482002 280355477 /nfs/dbraw/zinc/35/54/77/280355477.db2.gz LNTPMMZBGZLHES-IAGOWNOFSA-N 2 0 340.512 1.471 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000262204226 302937525 /nfs/dbraw/zinc/93/75/25/302937525.db2.gz IKDFOANRZSPPLM-NXHRZFHOSA-N 2 0 345.491 1.058 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000117038116 441863019 /nfs/dbraw/zinc/86/30/19/441863019.db2.gz GSGWSTODVLICOS-QGZVFWFLSA-N 2 0 334.464 1.090 10 0 EDAERP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCOCC1 ZINC000175602987 442091877 /nfs/dbraw/zinc/09/18/77/442091877.db2.gz OIHWCWGQSFOJKL-HNNXBMFYSA-N 2 0 338.496 1.413 10 0 EDAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000178199383 442414894 /nfs/dbraw/zinc/41/48/94/442414894.db2.gz BCGUDRBNAHSEBK-MSOLQXFVSA-N 2 0 331.460 1.252 10 0 EDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246553780 442792026 /nfs/dbraw/zinc/79/20/26/442792026.db2.gz WFISJQDXWHEQOS-OIISXLGYSA-N 2 0 325.497 1.625 10 0 EDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000111231217 204344484 /nfs/dbraw/zinc/34/44/84/204344484.db2.gz YSNBUGWLQOQYNQ-VQTJNVASSA-N 2 0 331.504 1.996 10 0 EDAERP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000237894658 139063159 /nfs/dbraw/zinc/06/31/59/139063159.db2.gz NIXYHARAFVKSPV-UHFFFAOYSA-N 2 0 345.487 1.820 10 0 EDAERP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246495599 139110769 /nfs/dbraw/zinc/11/07/69/139110769.db2.gz SYQZCYRHRIYVGT-IBGZPJMESA-N 2 0 342.487 1.924 10 0 EDAERP COc1ccc(CCNC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261639450 139213474 /nfs/dbraw/zinc/21/34/74/139213474.db2.gz GFTZHBBUMJCPBO-QGZVFWFLSA-N 2 0 349.475 1.422 10 0 EDAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262499623 139282733 /nfs/dbraw/zinc/28/27/33/139282733.db2.gz KMRYSVCELXEMJU-MSOLQXFVSA-N 2 0 331.460 1.080 10 0 EDAERP CC[NH+]1CCC(CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000175949317 285184350 /nfs/dbraw/zinc/18/43/50/285184350.db2.gz QXXQPBQRBINGBX-INIZCTEOSA-N 2 0 326.485 1.080 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000174237586 285229773 /nfs/dbraw/zinc/22/97/73/285229773.db2.gz IBIRNTKOXLJNKM-CVEARBPZSA-N 2 0 326.485 1.223 10 0 EDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186378780 286443496 /nfs/dbraw/zinc/44/34/96/286443496.db2.gz BPYWIDRCRXAAGX-IXDOHACOSA-N 2 0 328.497 1.907 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249361464 279301077 /nfs/dbraw/zinc/30/10/77/279301077.db2.gz SSGULFDKNBVOMU-RTBURBONSA-N 2 0 346.519 1.822 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N(CC[NH+](C)C)c2ccccc2)cn1 ZINC000262152255 289123881 /nfs/dbraw/zinc/12/38/81/289123881.db2.gz HVIDHRNUKJXKQA-MSOLQXFVSA-N 2 0 341.459 1.318 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000161604864 442017102 /nfs/dbraw/zinc/01/71/02/442017102.db2.gz MUOSVOZTVLJPGS-KRWDZBQOSA-N 2 0 340.512 1.615 10 0 EDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000120778196 442131310 /nfs/dbraw/zinc/13/13/10/442131310.db2.gz CINRRSBDXZCPAN-OALUTQOASA-N 2 0 338.540 1.198 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170831002 442270884 /nfs/dbraw/zinc/27/08/84/442270884.db2.gz RQRGUHABMQPFSZ-ZWKOTPCHSA-N 2 0 330.476 1.997 10 0 EDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903627 442389232 /nfs/dbraw/zinc/38/92/32/442389232.db2.gz AQWFSTSKBTWZFI-ZWKOTPCHSA-N 2 0 330.476 1.649 10 0 EDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180996863 442673845 /nfs/dbraw/zinc/67/38/45/442673845.db2.gz IBHXREJWCYTZEE-SCTDSRPQSA-N 2 0 336.524 1.536 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@H](C)O ZINC000248502943 442897665 /nfs/dbraw/zinc/89/76/65/442897665.db2.gz UPBVTNZDDWRUIS-GVDBMIGSSA-N 2 0 340.512 1.347 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C12CCOCC2 ZINC000249060537 442949063 /nfs/dbraw/zinc/94/90/63/442949063.db2.gz YINYGFFPWMWBGJ-RCCFBDPRSA-N 2 0 340.508 1.787 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616634525 450456303 /nfs/dbraw/zinc/45/63/03/450456303.db2.gz UUQSEPOQVSAJRH-INIZCTEOSA-N 2 0 334.464 1.963 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662742255 453469792 /nfs/dbraw/zinc/46/97/92/453469792.db2.gz NJLPOXMNNOQBQB-MOPGFXCFSA-N 2 0 344.503 1.451 10 0 EDAERP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249318682 486065294 /nfs/dbraw/zinc/06/52/94/486065294.db2.gz QFARZTUURZEAJY-HUUCEWRRSA-N 2 0 343.393 1.975 10 0 EDAERP COC(=O)c1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179514858 534290226 /nfs/dbraw/zinc/29/02/26/534290226.db2.gz CABRXNIBPMAGIJ-OAHLLOKOSA-N 2 0 334.460 1.998 10 0 EDAERP CC(C)(O)C[NH+]1CCN(c2cccc(Br)c2C[NH3+])CC1 ZINC000168316214 527344874 /nfs/dbraw/zinc/34/48/74/527344874.db2.gz UMJLVOYGHNTFBK-UHFFFAOYSA-N 2 0 342.281 1.801 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246457376 535120715 /nfs/dbraw/zinc/12/07/15/535120715.db2.gz PGXJPZIXDGFWDK-DLBZAZTESA-N 2 0 338.496 1.223 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000247274313 536119211 /nfs/dbraw/zinc/11/92/11/536119211.db2.gz ZSCRUVRYNPVPBO-GJZGRUSLSA-N 2 0 326.485 1.221 10 0 EDAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nnnn1C ZINC000189834136 237297525 /nfs/dbraw/zinc/29/75/25/237297525.db2.gz AAWQQAYNTBDMCY-WMLDXEAASA-N 2 0 344.463 1.306 10 0 EDAERP C[N@H+](C[C@@H]1C[C@H](F)CN1Cc1nccs1)C[C@]1(C)CC[NH2+]C1 ZINC000262033421 139245369 /nfs/dbraw/zinc/24/53/69/139245369.db2.gz OHBGDLLDRIFOFT-OFQRWUPVSA-N 2 0 326.485 1.987 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112293549 220288460 /nfs/dbraw/zinc/28/84/60/220288460.db2.gz DPYSFJKNPBDGJI-MRXNPFEDSA-N 2 0 331.464 1.048 10 0 EDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246759553 287009394 /nfs/dbraw/zinc/00/93/94/287009394.db2.gz MTEXGSCWSQNUDQ-CVEARBPZSA-N 2 0 326.485 1.223 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000185176565 289215493 /nfs/dbraw/zinc/21/54/93/289215493.db2.gz QXAVDNSSTVZWEN-HNNXBMFYSA-N 2 0 326.485 1.080 10 0 EDAERP CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786995 441845208 /nfs/dbraw/zinc/84/52/08/441845208.db2.gz DRTUINSBIRYAPK-ZWKOTPCHSA-N 2 0 333.476 1.859 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000152383839 442205944 /nfs/dbraw/zinc/20/59/44/442205944.db2.gz VAQCUIPPZYJOJE-IAGOWNOFSA-N 2 0 340.512 1.253 10 0 EDAERP COc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+](C)C)c1 ZINC000170863045 442278847 /nfs/dbraw/zinc/27/88/47/442278847.db2.gz REXGMZXICCYQMB-DOTOQJQBSA-N 2 0 334.464 1.643 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1N1CCOCC1 ZINC000177233886 442317488 /nfs/dbraw/zinc/31/74/88/442317488.db2.gz AEHPKSFICZUICE-WBVHZDCISA-N 2 0 327.432 1.420 10 0 EDAERP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000192804987 442688148 /nfs/dbraw/zinc/68/81/48/442688148.db2.gz RVXNZSPDHATTBQ-SFHVURJKSA-N 2 0 348.491 1.394 10 0 EDAERP CC(C)N1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000248334300 442887365 /nfs/dbraw/zinc/88/73/65/442887365.db2.gz GCDHZIODEQZHLL-DOTOQJQBSA-N 2 0 325.497 1.410 10 0 EDAERP [NH3+]C1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000390997176 447507985 /nfs/dbraw/zinc/50/79/85/447507985.db2.gz LYAMLVADNSNEBJ-UHFFFAOYSA-N 2 0 344.503 1.438 10 0 EDAERP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000638851596 451710393 /nfs/dbraw/zinc/71/03/93/451710393.db2.gz KNEKPMAWQSWXKX-HQRMLTQVSA-N 2 0 345.487 1.639 10 0 EDAERP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588779 282207424 /nfs/dbraw/zinc/20/74/24/282207424.db2.gz WHDNYJDUYNSDAD-HUUCEWRRSA-N 2 0 327.513 1.704 10 0 EDAERP C[NH2+][C@@H](Cc1ccc(Br)cn1)C[C@H]1C[N@H+](C)CCN1C ZINC000167997090 530042808 /nfs/dbraw/zinc/04/28/08/530042808.db2.gz QOZSMJNTFDOIFS-GJZGRUSLSA-N 2 0 341.297 1.611 10 0 EDAERP O=C(CN1CCN(Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195329683 139014465 /nfs/dbraw/zinc/01/44/65/139014465.db2.gz AGXQGPFVGPQGBA-IBGZPJMESA-N 2 0 342.487 1.111 10 0 EDAERP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516258 139018741 /nfs/dbraw/zinc/01/87/41/139018741.db2.gz YMUUTJDWVXATKF-JKSUJKDBSA-N 2 0 334.464 1.665 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000247250687 139142404 /nfs/dbraw/zinc/14/24/04/139142404.db2.gz ZRAGVJNFGKJDSM-MISYRCLQSA-N 2 0 346.519 1.728 10 0 EDAERP C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H](CNc2ccccn2)C1 ZINC000247355258 139145863 /nfs/dbraw/zinc/14/58/63/139145863.db2.gz LUOIXDYCDSTRHE-NEPJUHHUSA-N 2 0 330.354 1.882 10 0 EDAERP C[NH+](C)CC1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000119006010 221221646 /nfs/dbraw/zinc/22/16/46/221221646.db2.gz AGCVRILVNCDJQX-GPANFISMSA-N 2 0 326.485 1.079 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)CCCCC[NH3+] ZINC000164086592 226042650 /nfs/dbraw/zinc/04/26/50/226042650.db2.gz KMJPYYDNEMBXJZ-UHFFFAOYSA-N 2 0 331.258 1.909 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000164414988 226070858 /nfs/dbraw/zinc/07/08/58/226070858.db2.gz MIWSTYSHRTYAPA-QWRGUYRKSA-N 2 0 343.269 1.765 10 0 EDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184830912 279142546 /nfs/dbraw/zinc/14/25/46/279142546.db2.gz VFNFMHKSSYSNPF-JKSUJKDBSA-N 2 0 342.528 1.451 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000163126624 442145706 /nfs/dbraw/zinc/14/57/06/442145706.db2.gz ZOHJHTJGQCQYSD-LJQANCHMSA-N 2 0 345.487 1.667 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000176064519 442169382 /nfs/dbraw/zinc/16/93/82/442169382.db2.gz SZEZTNDIKFRHOK-MRXNPFEDSA-N 2 0 346.475 1.596 10 0 EDAERP CC(C)[NH2+]C[C@@H](O)COc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000169332723 442226544 /nfs/dbraw/zinc/22/65/44/442226544.db2.gz TZHNGSBHFRGRNZ-IYBDPMFKSA-N 2 0 340.464 1.162 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176898728 442269446 /nfs/dbraw/zinc/26/94/46/442269446.db2.gz PXTBGAOYADNUQY-KRWDZBQOSA-N 2 0 346.475 1.629 10 0 EDAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184708230 443063607 /nfs/dbraw/zinc/06/36/07/443063607.db2.gz VAQMGWKOLQFTBU-NVXWUHKLSA-N 2 0 340.512 1.346 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107817 451274440 /nfs/dbraw/zinc/27/44/40/451274440.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 2 0 332.492 1.388 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000247189187 139139320 /nfs/dbraw/zinc/13/93/20/139139320.db2.gz SFOGYGUJVVMLQO-SJORKVTESA-N 2 0 342.528 1.715 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866451 139178279 /nfs/dbraw/zinc/17/82/79/139178279.db2.gz QDYJRCNCKWBWAP-KBAYOESNSA-N 2 0 330.476 1.852 10 0 EDAERP C[NH+](C)CC[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000117052409 221027835 /nfs/dbraw/zinc/02/78/35/221027835.db2.gz FALKFAAXTQCXEK-CABCVRRESA-N 2 0 328.501 1.325 10 0 EDAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nnnn1C ZINC000189834120 533367372 /nfs/dbraw/zinc/36/73/72/533367372.db2.gz AAWQQAYNTBDMCY-PBHICJAKSA-N 2 0 344.463 1.306 10 0 EDAERP CC(C)(CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000192797844 272986672 /nfs/dbraw/zinc/98/66/72/272986672.db2.gz GCCRYVMNGWSAFM-MRXNPFEDSA-N 2 0 340.512 1.397 10 0 EDAERP C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915747 274190002 /nfs/dbraw/zinc/19/00/02/274190002.db2.gz QJUDXYSRWUCNNU-LPHOPBHVSA-N 2 0 347.503 1.841 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866453 288218358 /nfs/dbraw/zinc/21/83/58/288218358.db2.gz QDYJRCNCKWBWAP-NXHRZFHOSA-N 2 0 330.476 1.852 10 0 EDAERP C[N@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000105294078 441249604 /nfs/dbraw/zinc/24/96/04/441249604.db2.gz REQMEGMVGCGKDO-INIZCTEOSA-N 2 0 326.485 1.007 10 0 EDAERP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000106456247 441345006 /nfs/dbraw/zinc/34/50/06/441345006.db2.gz JUNIRJZRUWUDEK-ZIFCJYIRSA-N 2 0 347.503 1.775 10 0 EDAERP CCC[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000126388575 442106603 /nfs/dbraw/zinc/10/66/03/442106603.db2.gz FXZNWYRYTRPFJP-QGZVFWFLSA-N 2 0 325.497 1.820 10 0 EDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000170830989 442271073 /nfs/dbraw/zinc/27/10/73/442271073.db2.gz XHGXFGNUZXFRRY-QAPCUYQASA-N 2 0 330.476 1.779 10 0 EDAERP CNC(=O)c1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000172151096 442416441 /nfs/dbraw/zinc/41/64/41/442416441.db2.gz PSOQJURDBBALNY-OAHLLOKOSA-N 2 0 333.476 1.571 10 0 EDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000134204749 442458807 /nfs/dbraw/zinc/45/88/07/442458807.db2.gz YOANUKDTKLNWMN-MOPGFXCFSA-N 2 0 347.503 1.512 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247881703 442871776 /nfs/dbraw/zinc/87/17/76/442871776.db2.gz ZKOJWLUOVRZMKZ-MOPGFXCFSA-N 2 0 347.503 1.632 10 0 EDAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)CC1 ZINC000183216517 442905046 /nfs/dbraw/zinc/90/50/46/442905046.db2.gz JAASYLFQCMCLFA-MRXNPFEDSA-N 2 0 332.496 1.951 10 0 EDAERP CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000183404788 442927963 /nfs/dbraw/zinc/92/79/63/442927963.db2.gz JDHQBSFGZQRDRO-ROUUACIJSA-N 2 0 333.476 1.600 10 0 EDAERP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249878261 443008423 /nfs/dbraw/zinc/00/84/23/443008423.db2.gz MLNMIURAZVYELJ-YESZJQIVSA-N 2 0 335.448 1.372 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249748620 443003225 /nfs/dbraw/zinc/00/32/25/443003225.db2.gz AZLZEXFZOFLWBM-ZWKOTPCHSA-N 2 0 332.492 1.943 10 0 EDAERP CC[NH+](CC)CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190678968 443163398 /nfs/dbraw/zinc/16/33/98/443163398.db2.gz KUZSKCZDIQHDIT-SFHVURJKSA-N 2 0 347.507 1.887 10 0 EDAERP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C2 ZINC000888097999 591027134 /nfs/dbraw/zinc/02/71/34/591027134.db2.gz WVLPSSIAKWUSDE-YFHUEUNASA-N 2 0 335.496 1.055 10 0 EDAERP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000184554412 703434226 /nfs/dbraw/zinc/43/42/26/703434226.db2.gz RLWPHVTWBKHNPJ-ARFHVFGLSA-N 2 0 341.496 1.869 10 0 EDAERP Cn1cc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000246908696 139126460 /nfs/dbraw/zinc/12/64/60/139126460.db2.gz HNZRMDSYKCSWJX-IAGOWNOFSA-N 2 0 342.491 1.823 10 0 EDAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247219035 139141175 /nfs/dbraw/zinc/14/11/75/139141175.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 2 0 342.487 1.924 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000164708064 226093653 /nfs/dbraw/zinc/09/36/53/226093653.db2.gz QPQAHYPJGYTMLR-AWEZNQCLSA-N 2 0 343.269 1.922 10 0 EDAERP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000117048783 278272547 /nfs/dbraw/zinc/27/25/47/278272547.db2.gz RNKPRCCPQBGCLA-FUHWJXTLSA-N 2 0 348.491 1.479 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000116788781 441844848 /nfs/dbraw/zinc/84/48/48/441844848.db2.gz CLOGRYHHWLLDNM-ROUUACIJSA-N 2 0 331.460 1.440 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792649 441848514 /nfs/dbraw/zinc/84/85/14/441848514.db2.gz PTCKYWYZEHDFFE-MOPGFXCFSA-N 2 0 345.487 1.688 10 0 EDAERP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476681 442904485 /nfs/dbraw/zinc/90/44/85/442904485.db2.gz QDWUNEVIUKVZPD-SJORKVTESA-N 2 0 340.512 1.253 10 0 EDAERP CC[N@H+](CC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000190645396 443156880 /nfs/dbraw/zinc/15/68/80/443156880.db2.gz AMIJYLJZUJWNEP-QGZVFWFLSA-N 2 0 330.476 1.846 10 0 EDAERP CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000384391972 319127135 /nfs/dbraw/zinc/12/71/35/319127135.db2.gz SGTIJQLTRCKQBJ-SFHVURJKSA-N 2 0 344.503 1.451 10 0 EDAERP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718643 138686609 /nfs/dbraw/zinc/68/66/09/138686609.db2.gz FIKXNILVCKHUFP-ROUUACIJSA-N 2 0 346.519 1.822 10 0 EDAERP COc1ccc(-c2nc(C[NH2+]CC3CC[NH2+]CC3)cc(=O)[nH]2)cc1 ZINC000073696079 216412822 /nfs/dbraw/zinc/41/28/22/216412822.db2.gz SWNGFBXETPONSW-UHFFFAOYSA-N 2 0 328.416 1.535 10 0 EDAERP O[C@H](COCc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000079882984 217261370 /nfs/dbraw/zinc/26/13/70/217261370.db2.gz JVXXOSNJQVWZAP-FQEVSTJZSA-N 2 0 348.487 1.608 10 0 EDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247601946 139153027 /nfs/dbraw/zinc/15/30/27/139153027.db2.gz UUZNCYDHCHWRNZ-APWZRJJASA-N 2 0 342.487 1.923 10 0 EDAERP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)O1 ZINC000261931943 139238250 /nfs/dbraw/zinc/23/82/50/139238250.db2.gz ZWOFBCIVGZDLLW-MSOLQXFVSA-N 2 0 347.459 1.336 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000117027557 221024436 /nfs/dbraw/zinc/02/44/36/221024436.db2.gz DJHLZSKDJNCZAY-GOSISDBHSA-N 2 0 348.491 1.481 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000333697128 286363045 /nfs/dbraw/zinc/36/30/45/286363045.db2.gz QIECICMIHBRAKF-BHYGNILZSA-N 2 0 332.448 1.273 10 0 EDAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CCOCC1 ZINC000123319094 222256114 /nfs/dbraw/zinc/25/61/14/222256114.db2.gz PVKJRIPKNBYAGX-IRXDYDNUSA-N 2 0 335.492 1.998 10 0 EDAERP C[C@H]1C[NH+](CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000261773347 300252128 /nfs/dbraw/zinc/25/21/28/300252128.db2.gz OPOPIIHVOUUSOS-UOVPBQLFSA-N 2 0 337.508 1.852 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000113601864 441617428 /nfs/dbraw/zinc/61/74/28/441617428.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 2 0 330.476 1.997 10 0 EDAERP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000127471986 442205696 /nfs/dbraw/zinc/20/56/96/442205696.db2.gz MWEVEPFUIRDPLW-CVEARBPZSA-N 2 0 335.448 1.372 10 0 EDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754436 442475424 /nfs/dbraw/zinc/47/54/24/442475424.db2.gz AXPHRKRJPFTHTO-CQSZACIVSA-N 2 0 329.429 1.926 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1C ZINC000248571210 442901254 /nfs/dbraw/zinc/90/12/54/442901254.db2.gz CQMVVGOLRLFDGT-JYJNAYRXSA-N 2 0 342.528 1.449 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249176528 442959057 /nfs/dbraw/zinc/95/90/57/442959057.db2.gz ZNNJDYQGWRMPSI-JKSUJKDBSA-N 2 0 342.528 1.449 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249176526 442959419 /nfs/dbraw/zinc/95/94/19/442959419.db2.gz ZNNJDYQGWRMPSI-HZPDHXFCSA-N 2 0 342.528 1.449 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184833951 443084332 /nfs/dbraw/zinc/08/43/32/443084332.db2.gz FJHYQSXALRYRQJ-IAGOWNOFSA-N 2 0 340.512 1.205 10 0 EDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390907436 447507054 /nfs/dbraw/zinc/50/70/54/447507054.db2.gz SSCVHUDJYRYUQF-ROUUACIJSA-N 2 0 333.476 1.767 10 0 EDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391052164 447509972 /nfs/dbraw/zinc/50/99/72/447509972.db2.gz XZXUOFUWSABWDR-MOPGFXCFSA-N 2 0 344.503 1.295 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616602742 450454326 /nfs/dbraw/zinc/45/43/26/450454326.db2.gz BECBEVYGQUUREX-MRXNPFEDSA-N 2 0 334.464 1.963 10 0 EDAERP CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000236798509 535675941 /nfs/dbraw/zinc/67/59/41/535675941.db2.gz SIWMXUUXGLQABT-HNNXBMFYSA-N 2 0 340.512 1.056 10 0 EDAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179743762 233393519 /nfs/dbraw/zinc/39/35/19/233393519.db2.gz AQPPSUFTFCDJSG-GOSISDBHSA-N 2 0 343.475 1.788 10 0 EDAERP CC(C)[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236751325 139030469 /nfs/dbraw/zinc/03/04/69/139030469.db2.gz UXIMDVSOFAXLIX-SFHVURJKSA-N 2 0 333.476 1.803 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000247404420 139147785 /nfs/dbraw/zinc/14/77/85/139147785.db2.gz YWLQJCMOUMGRHG-IAGOWNOFSA-N 2 0 347.503 1.716 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C12CCOCC2 ZINC000248973371 139182031 /nfs/dbraw/zinc/18/20/31/139182031.db2.gz HCFNWRARHNJWHQ-KZNAEPCWSA-N 2 0 339.524 1.576 10 0 EDAERP C[C@H]1C[N@@H+](C2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CCO1 ZINC000262392416 139275608 /nfs/dbraw/zinc/27/56/08/139275608.db2.gz YYEVSVQGVUHUAL-JHXCCQHYSA-N 2 0 349.519 1.852 10 0 EDAERP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262442846 139279376 /nfs/dbraw/zinc/27/93/76/139279376.db2.gz VASZSTNEMKSIIP-CQSZACIVSA-N 2 0 346.475 1.552 10 0 EDAERP C[NH2+][C@H](Cc1cncc(Br)c1)C[C@@H]1C[N@H+](C)CCN1C ZINC000167996536 533010350 /nfs/dbraw/zinc/01/03/50/533010350.db2.gz HOPVFSVJFSUAOS-HUUCEWRRSA-N 2 0 341.297 1.611 10 0 EDAERP COCCC[C@@H]([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164528020 226079785 /nfs/dbraw/zinc/07/97/85/226079785.db2.gz ODQAPEXXRUDBHO-LLVKDONJSA-N 2 0 347.257 1.144 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccccc2F)CC1 ZINC000105862215 441293164 /nfs/dbraw/zinc/29/31/64/441293164.db2.gz ABCNAQINCOHJDQ-AWEZNQCLSA-N 2 0 337.439 1.789 10 0 EDAERP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092098708 441773489 /nfs/dbraw/zinc/77/34/89/441773489.db2.gz LDWJQIGPFSQJQE-IBGZPJMESA-N 2 0 344.503 1.927 10 0 EDAERP C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000120558759 442094608 /nfs/dbraw/zinc/09/46/08/442094608.db2.gz RIQFMEOEASSMFQ-ZQIUZPCESA-N 2 0 339.505 1.976 10 0 EDAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170844686 442273883 /nfs/dbraw/zinc/27/38/83/442273883.db2.gz CIHHVLDCYMFXNG-KRWDZBQOSA-N 2 0 346.475 1.629 10 0 EDAERP Cn1cc([C@@H]2CCCN2Cc2cnc(N3CCN(C)CC3)nc2)cn1 ZINC000131911852 442383159 /nfs/dbraw/zinc/38/31/59/442383159.db2.gz FFNIJFGDSIZJAJ-KRWDZBQOSA-N 2 0 341.463 1.299 10 0 EDAERP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000172322941 442443912 /nfs/dbraw/zinc/44/39/12/442443912.db2.gz IUCWKIVVPPPEBJ-KRWDZBQOSA-N 2 0 340.512 1.615 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190092110 443056187 /nfs/dbraw/zinc/05/61/87/443056187.db2.gz CJDXXSNTMKWJQC-WMLDXEAASA-N 2 0 344.459 1.382 10 0 EDAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397694742 447551080 /nfs/dbraw/zinc/55/10/80/447551080.db2.gz RHMWHPNIFIIKJF-QZTJIDSGSA-N 2 0 331.460 1.392 10 0 EDAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261878560 139233579 /nfs/dbraw/zinc/23/35/79/139233579.db2.gz UIWWPKIOTUASPV-AHCXZYCDSA-N 2 0 345.487 1.766 10 0 EDAERP C[C@@H]([NH3+])CCCC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164675244 532953349 /nfs/dbraw/zinc/95/33/49/532953349.db2.gz YIIUNSROYMIZDC-SNVBAGLBSA-N 2 0 331.258 1.907 10 0 EDAERP COC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915704 441315706 /nfs/dbraw/zinc/31/57/06/441315706.db2.gz CELVPRWVXBGGED-GOSISDBHSA-N 2 0 334.460 1.927 10 0 EDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000134204869 442458110 /nfs/dbraw/zinc/45/81/10/442458110.db2.gz YOANUKDTKLNWMN-RTBURBONSA-N 2 0 347.503 1.512 10 0 EDAERP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247384744 442850996 /nfs/dbraw/zinc/85/09/96/442850996.db2.gz WHDNYJDUYNSDAD-LSDHHAIUSA-N 2 0 327.513 1.704 10 0 EDAERP CCCCOC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000195201470 442996179 /nfs/dbraw/zinc/99/61/79/442996179.db2.gz USLLCSJTANKOHZ-SWDXFRIISA-N 2 0 339.524 1.407 10 0 EDAERP CC[N@H+](CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000185035653 443123216 /nfs/dbraw/zinc/12/32/16/443123216.db2.gz HOUPESJTXYWOTG-HNNXBMFYSA-N 2 0 340.512 1.205 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616656887 450457770 /nfs/dbraw/zinc/45/77/70/450457770.db2.gz UUQSEPOQVSAJRH-MRXNPFEDSA-N 2 0 334.464 1.963 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740988 453467783 /nfs/dbraw/zinc/46/77/83/453467783.db2.gz BMHZJBGTHDXBNI-RBUKOAKNSA-N 2 0 344.503 1.309 10 0 EDAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)nc1)C2 ZINC000888097292 591027959 /nfs/dbraw/zinc/02/79/59/591027959.db2.gz GWFPDTKBILNXPW-RWQQGDIJSA-N 2 0 332.492 1.717 10 0 EDAERP CN1CCC([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000171905521 530049766 /nfs/dbraw/zinc/04/97/66/530049766.db2.gz PYQBGJPWOPPNHK-GOSISDBHSA-N 2 0 349.523 1.035 10 0 EDAERP COCCN1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000246973253 139129218 /nfs/dbraw/zinc/12/92/18/139129218.db2.gz DZWZLYVFXSHJND-HOTGVXAUSA-N 2 0 326.485 1.080 10 0 EDAERP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249883057 139199621 /nfs/dbraw/zinc/19/96/21/139199621.db2.gz OAQWYTKIKGITTF-KGLIPLIRSA-N 2 0 333.436 1.358 10 0 EDAERP COCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262124746 139253014 /nfs/dbraw/zinc/25/30/14/139253014.db2.gz MSYVMOYTFHXUIE-KRWDZBQOSA-N 2 0 349.475 1.200 10 0 EDAERP C[NH2+][C@H](Cc1cncc(Br)c1)C[C@H]1C[N@H+](C)CCN1C ZINC000167996760 533010287 /nfs/dbraw/zinc/01/02/87/533010287.db2.gz HOPVFSVJFSUAOS-CABCVRRESA-N 2 0 341.297 1.611 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031766 221024689 /nfs/dbraw/zinc/02/46/89/221024689.db2.gz OFYRHLMEFHBXER-SJORKVTESA-N 2 0 340.512 1.469 10 0 EDAERP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000117039936 221026236 /nfs/dbraw/zinc/02/62/36/221026236.db2.gz GABNUEPGBHRLDJ-HOTGVXAUSA-N 2 0 326.485 1.079 10 0 EDAERP COCC[N@H+](CCO)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000164684181 226093719 /nfs/dbraw/zinc/09/37/19/226093719.db2.gz MLIYZCROBAECJV-AWEZNQCLSA-N 2 0 331.254 1.780 10 0 EDAERP COCC[N@H+](CCO)CC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000164677247 226094115 /nfs/dbraw/zinc/09/41/15/226094115.db2.gz VZQRFQQDXDOGCV-CQSZACIVSA-N 2 0 331.254 1.780 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186123689 279325619 /nfs/dbraw/zinc/32/56/19/279325619.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 2 0 339.528 1.138 10 0 EDAERP C[NH+](C)C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000048217075 441273097 /nfs/dbraw/zinc/27/30/97/441273097.db2.gz VEAPQLKWFDYMAL-GOSISDBHSA-N 2 0 348.491 1.701 10 0 EDAERP CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786992 441845155 /nfs/dbraw/zinc/84/51/55/441845155.db2.gz DRTUINSBIRYAPK-ROUUACIJSA-N 2 0 333.476 1.859 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000121279197 442198431 /nfs/dbraw/zinc/19/84/31/442198431.db2.gz KEGHJEBEOWFQCU-CABCVRRESA-N 2 0 326.485 1.125 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171588431 442359963 /nfs/dbraw/zinc/35/99/63/442359963.db2.gz ZXIQUGXRLZFMPC-LPHOPBHVSA-N 2 0 347.503 1.841 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184833964 443083933 /nfs/dbraw/zinc/08/39/33/443083933.db2.gz FJHYQSXALRYRQJ-SJORKVTESA-N 2 0 340.512 1.205 10 0 EDAERP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)n1 ZINC000299739776 444129329 /nfs/dbraw/zinc/12/93/29/444129329.db2.gz AVCNIAGYLNFBAG-GHMZBOCLSA-N 2 0 333.358 1.123 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835513 451705049 /nfs/dbraw/zinc/70/50/49/451705049.db2.gz MALUPAJDFNYQCH-FUHWJXTLSA-N 2 0 345.487 1.626 10 0 EDAERP CC[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184235551 529267884 /nfs/dbraw/zinc/26/78/84/529267884.db2.gz GUOMFGJIJBDNAQ-CVEARBPZSA-N 2 0 325.497 1.589 10 0 EDAERP [NH3+][C@H](CCN1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000054015169 214211307 /nfs/dbraw/zinc/21/13/07/214211307.db2.gz QZDXJIHOXWUKME-OAHLLOKOSA-N 2 0 342.281 1.449 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000262410508 282132506 /nfs/dbraw/zinc/13/25/06/282132506.db2.gz ZFZCHYOAEUDJMX-SQNIBIBYSA-N 2 0 341.459 1.142 10 0 EDAERP CC[C@@H]1CN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000246574692 139113577 /nfs/dbraw/zinc/11/35/77/139113577.db2.gz VEXXWQZEQKVCHY-NXHRZFHOSA-N 2 0 333.476 1.892 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249281434 139190131 /nfs/dbraw/zinc/19/01/31/139190131.db2.gz GOAXNFZEOCGXBI-OALUTQOASA-N 2 0 344.503 1.576 10 0 EDAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000093795410 218250323 /nfs/dbraw/zinc/25/03/23/218250323.db2.gz PAKCPLYMORPMTE-BHYGNILZSA-N 2 0 338.496 1.269 10 0 EDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261878570 139233617 /nfs/dbraw/zinc/23/36/17/139233617.db2.gz UIWWPKIOTUASPV-PHAGKYIGSA-N 2 0 345.487 1.766 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000117024317 221023143 /nfs/dbraw/zinc/02/31/43/221023143.db2.gz VDHWRKTZTRVNMH-DLBZAZTESA-N 2 0 334.464 1.261 10 0 EDAERP C[C@@H]1C[C@H](C)N(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333300738 141295311 /nfs/dbraw/zinc/29/53/11/141295311.db2.gz QACAZGJONDPSLL-CBBWQLFWSA-N 2 0 333.480 1.333 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000164208875 226054094 /nfs/dbraw/zinc/05/40/94/226054094.db2.gz BDSWTPSIIJVWIK-LLVKDONJSA-N 2 0 343.269 1.780 10 0 EDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000252442129 278199889 /nfs/dbraw/zinc/19/98/89/278199889.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 2 0 330.476 1.997 10 0 EDAERP CC[NH+](CC)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173468240 441760778 /nfs/dbraw/zinc/76/07/78/441760778.db2.gz NURNLODHYNVLNC-IBGZPJMESA-N 2 0 347.503 1.890 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000170860009 442276926 /nfs/dbraw/zinc/27/69/26/442276926.db2.gz YTEIBQOAFMATNF-SFHVURJKSA-N 2 0 330.476 1.210 10 0 EDAERP CCn1cnnc1[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191587698 442470979 /nfs/dbraw/zinc/47/09/79/442470979.db2.gz BNGYCFOFHWHXCR-SFHVURJKSA-N 2 0 348.539 1.894 10 0 EDAERP CC(C)N1CCC[C@H]([N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000248334301 442887282 /nfs/dbraw/zinc/88/72/82/442887282.db2.gz GCDHZIODEQZHLL-RDJZCZTQSA-N 2 0 325.497 1.410 10 0 EDAERP FC(F)(F)COCCN(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261919381 443174850 /nfs/dbraw/zinc/17/48/50/443174850.db2.gz USWXPKWIWNIRSL-CQSZACIVSA-N 2 0 332.370 2.000 10 0 EDAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000578347491 448524841 /nfs/dbraw/zinc/52/48/41/448524841.db2.gz ZPGGRLZBAWLMMK-PKOBYXMFSA-N 3 0 331.504 1.991 10 0 EDAERP COC[C@]1(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000643792718 452658001 /nfs/dbraw/zinc/65/80/01/452658001.db2.gz ORCPOMZSIYIPCJ-HQRMLTQVSA-N 2 0 345.487 1.782 10 0 EDAERP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000659288636 453704153 /nfs/dbraw/zinc/70/41/53/453704153.db2.gz MJIHEJRNBSJFPT-HQRMLTQVSA-N 2 0 345.487 1.782 10 0 EDAERP COC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659316125 453712529 /nfs/dbraw/zinc/71/25/29/453712529.db2.gz AMZJOBSFMNWHNU-HKUYNNGSSA-N 2 0 331.460 1.488 10 0 EDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000181066066 534027578 /nfs/dbraw/zinc/02/75/78/534027578.db2.gz BPVREKHPIZRMCG-SJLPKXTDSA-N 2 0 330.476 1.997 10 0 EDAERP CCC[C@](C)([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164141497 528463843 /nfs/dbraw/zinc/46/38/43/528463843.db2.gz LMMUJPPPOKPMDX-ZDUSSCGKSA-N 2 0 331.258 1.907 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000333677740 536943760 /nfs/dbraw/zinc/94/37/60/536943760.db2.gz OHCQULIBVLVIDG-IAGOWNOFSA-N 2 0 346.475 1.534 10 0 EDAERP CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000049560668 214019053 /nfs/dbraw/zinc/01/90/53/214019053.db2.gz WVTRQFPDBJJCDG-LBPRGKRZSA-N 2 0 333.523 1.504 10 0 EDAERP CC(C)(C)[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000111834695 220201692 /nfs/dbraw/zinc/20/16/92/220201692.db2.gz YAFYCVOBJKCPGD-UHFFFAOYSA-N 2 0 340.512 1.253 10 0 EDAERP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000091907509 218086947 /nfs/dbraw/zinc/08/69/47/218086947.db2.gz VCLJRWMKJQZJFK-MSOLQXFVSA-N 2 0 348.443 1.149 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000333672057 141353958 /nfs/dbraw/zinc/35/39/58/141353958.db2.gz NFRJUWDSHBBVDZ-IEAZIUSSSA-N 2 0 332.448 1.272 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000164151378 226048314 /nfs/dbraw/zinc/04/83/14/226048314.db2.gz FJDJURLTHVTGSH-ZDUSSCGKSA-N 2 0 329.242 1.517 10 0 EDAERP C[C@H]1C[NH2+]C[C@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164279980 226060563 /nfs/dbraw/zinc/06/05/63/226060563.db2.gz HSWWICPTLZQSMZ-VHSXEESVSA-N 2 0 329.242 1.245 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000164397819 226069945 /nfs/dbraw/zinc/06/99/45/226069945.db2.gz OIIOSLBCQPMGCG-GFCCVEGCSA-N 2 0 343.269 1.922 10 0 EDAERP Cn1cncc1C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171627150 227183848 /nfs/dbraw/zinc/18/38/48/227183848.db2.gz DXXSSVVTZCWUEC-LJQANCHMSA-N 2 0 328.460 1.955 10 0 EDAERP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247126908 278137519 /nfs/dbraw/zinc/13/75/19/278137519.db2.gz KBAFHPSBFUCISN-DLBZAZTESA-N 2 0 339.524 1.802 10 0 EDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117046085 441862711 /nfs/dbraw/zinc/86/27/11/441862711.db2.gz QKPPSMHIUFVOMR-HZPDHXFCSA-N 2 0 326.485 1.079 10 0 EDAERP COc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000178720087 442462686 /nfs/dbraw/zinc/46/26/86/442462686.db2.gz NGOHPHLPJHSWFL-LSDHHAIUSA-N 2 0 335.448 1.379 10 0 EDAERP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000245902747 443255591 /nfs/dbraw/zinc/25/55/91/443255591.db2.gz LLZASFYAFGFJBR-DLBZAZTESA-N 2 0 340.512 1.613 10 0 EDAERP C[N@H+](C[C@H](O)CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460266 /nfs/dbraw/zinc/46/02/66/447460266.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 2 0 343.515 1.942 10 0 EDAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390919677 447506306 /nfs/dbraw/zinc/50/63/06/447506306.db2.gz ABQYEPJANBFOKV-BMSWRWNDSA-N 2 0 343.471 1.675 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616604044 450455508 /nfs/dbraw/zinc/45/55/08/450455508.db2.gz TXBIREXSWMKTBA-OAHLLOKOSA-N 2 0 334.464 1.963 10 0 EDAERP CCC[C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[NH+](C)C ZINC000131606660 527981473 /nfs/dbraw/zinc/98/14/73/527981473.db2.gz RXBKBLYWBJQHBD-QGZVFWFLSA-N 2 0 348.491 1.325 10 0 EDAERP CCCC[C@@H]([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164138750 528835384 /nfs/dbraw/zinc/83/53/84/528835384.db2.gz ZQKYEUKWUBVSIN-LLVKDONJSA-N 2 0 331.258 1.907 10 0 EDAERP COCCn1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097459 591028344 /nfs/dbraw/zinc/02/83/44/591028344.db2.gz JFNQPYNKHKWNEE-BRSBDYLESA-N 2 0 336.480 1.099 10 0 EDAERP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000195334456 139014767 /nfs/dbraw/zinc/01/47/67/139014767.db2.gz GXGRLMXEVGLYDA-IBGZPJMESA-N 2 0 342.487 1.354 10 0 EDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247601952 139152925 /nfs/dbraw/zinc/15/29/25/139152925.db2.gz UUZNCYDHCHWRNZ-LPHOPBHVSA-N 2 0 342.487 1.923 10 0 EDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000252442130 139204472 /nfs/dbraw/zinc/20/44/72/139204472.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 2 0 330.476 1.997 10 0 EDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000262304959 139268522 /nfs/dbraw/zinc/26/85/22/139268522.db2.gz PYNACCGTPOFMAK-SVGFKBNWSA-N 2 0 333.480 1.054 10 0 EDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)([NH+](C)C)C1 ZINC000117037374 221027291 /nfs/dbraw/zinc/02/72/91/221027291.db2.gz KGKYDIXKEJSMSW-JFIYKMOQSA-N 2 0 340.512 1.469 10 0 EDAERP CC[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000117491856 221071997 /nfs/dbraw/zinc/07/19/97/221071997.db2.gz MCBRTJKEARBSLV-KRWDZBQOSA-N 2 0 340.512 1.471 10 0 EDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1 ZINC000119288789 221286203 /nfs/dbraw/zinc/28/62/03/221286203.db2.gz ZFXXIOKYQIBAJG-LJQANCHMSA-N 2 0 335.492 1.133 10 0 EDAERP COC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171973339 533362371 /nfs/dbraw/zinc/36/23/71/533362371.db2.gz BVIKIGUQJQMVQC-OALUTQOASA-N 2 0 336.476 1.371 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000073719943 287263600 /nfs/dbraw/zinc/26/36/00/287263600.db2.gz FJZCHPPARVOMQQ-BBWFWOEESA-N 2 0 340.512 1.611 10 0 EDAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2cncc(Br)c2)C1 ZINC000166157416 226150305 /nfs/dbraw/zinc/15/03/05/226150305.db2.gz YSTRYGMEXREILT-KBPBESRZSA-N 2 0 327.270 1.870 10 0 EDAERP C[NH+](C)C[C@H]1C[C@H](O)CN1c1cccc(Br)c1C[NH3+] ZINC000168320338 226211976 /nfs/dbraw/zinc/21/19/76/226211976.db2.gz OWZMYARBDCCHSF-MNOVXSKESA-N 2 0 328.254 1.409 10 0 EDAERP C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000121269922 442197835 /nfs/dbraw/zinc/19/78/35/442197835.db2.gz ONIIHEWOAZBFLL-PMPSAXMXSA-N 2 0 340.512 1.325 10 0 EDAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170874739 442281418 /nfs/dbraw/zinc/28/14/18/442281418.db2.gz GPLQXMCJXIBYCR-INIZCTEOSA-N 2 0 345.491 1.996 10 0 EDAERP COc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000178720056 442462566 /nfs/dbraw/zinc/46/25/66/442462566.db2.gz NGOHPHLPJHSWFL-CABCVRRESA-N 2 0 335.448 1.379 10 0 EDAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248461199 442894283 /nfs/dbraw/zinc/89/42/83/442894283.db2.gz UJMWPTMYYXTOLE-HOCLYGCPSA-N 2 0 338.496 1.100 10 0 EDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390905115 447507231 /nfs/dbraw/zinc/50/72/31/447507231.db2.gz XUHFKWFKPZQJTK-UHOSZYNNSA-N 2 0 345.487 1.782 10 0 EDAERP CCCC[C@H]([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164138634 528971598 /nfs/dbraw/zinc/97/15/98/528971598.db2.gz ZQKYEUKWUBVSIN-NSHDSACASA-N 2 0 331.258 1.907 10 0 EDAERP C[N@H+](CCOCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000132961368 529923319 /nfs/dbraw/zinc/92/33/19/529923319.db2.gz HVPNECMZTNVXKO-IBGZPJMESA-N 2 0 336.476 1.373 10 0 EDAERP C(CCCCCCNC1=[NH+]CCN1)CCCCCNC1=[NH+]CCN1 ZINC000013836779 211649406 /nfs/dbraw/zinc/64/94/06/211649406.db2.gz PWZXPPWSUVZXQY-UHFFFAOYSA-N 2 0 336.528 1.985 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246679003 139117406 /nfs/dbraw/zinc/11/74/06/139117406.db2.gz DCFWAMHABMYZDK-YVSFHVDLSA-N 2 0 339.524 1.799 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247251589 139142383 /nfs/dbraw/zinc/14/23/83/139142383.db2.gz UCDPMKUAGSDNQU-BBWFWOEESA-N 2 0 339.524 1.516 10 0 EDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000248799329 139175902 /nfs/dbraw/zinc/17/59/02/139175902.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 2 0 342.487 1.998 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC000262300325 139267911 /nfs/dbraw/zinc/26/79/11/139267911.db2.gz PNLPRXLVRFGTPV-MSOLQXFVSA-N 2 0 341.459 1.466 10 0 EDAERP C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@@H+]1CCCC[C@H]1C ZINC000262365905 139273560 /nfs/dbraw/zinc/27/35/60/139273560.db2.gz VQSSXYGZVCFMCA-SRABZTEZSA-N 2 0 333.480 1.102 10 0 EDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CCO1 ZINC000262392425 139275757 /nfs/dbraw/zinc/27/57/57/139275757.db2.gz YYEVSVQGVUHUAL-RGWLIJMNSA-N 2 0 349.519 1.852 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000117024311 221023153 /nfs/dbraw/zinc/02/31/53/221023153.db2.gz VDHWRKTZTRVNMH-IRXDYDNUSA-N 2 0 334.464 1.261 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000333690229 141358835 /nfs/dbraw/zinc/35/88/35/141358835.db2.gz PRFMRNGKMDSSOR-RRQGHBQHSA-N 2 0 332.448 1.144 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000164364686 226066447 /nfs/dbraw/zinc/06/64/47/226066447.db2.gz TYCGUJIXMMYNQH-CMPLNLGQSA-N 2 0 343.269 1.907 10 0 EDAERP C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000123319493 222256021 /nfs/dbraw/zinc/25/60/21/222256021.db2.gz PVKJRIPKNBYAGX-DLBZAZTESA-N 2 0 335.492 1.998 10 0 EDAERP Cn1cncc1C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171627142 227182042 /nfs/dbraw/zinc/18/20/42/227182042.db2.gz DXXSSVVTZCWUEC-IBGZPJMESA-N 2 0 328.460 1.955 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000171898011 227344645 /nfs/dbraw/zinc/34/46/45/227344645.db2.gz CQBMBUNGUQUNDF-SJORKVTESA-N 2 0 334.439 1.918 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000176165095 279325595 /nfs/dbraw/zinc/32/55/95/279325595.db2.gz XBZAVTSQXXEFGL-DLBZAZTESA-N 2 0 340.512 1.469 10 0 EDAERP CC(C)[NH2+]C[C@@H](O)COc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000004655710 440924510 /nfs/dbraw/zinc/92/45/10/440924510.db2.gz XDXQFTJHEQWZBU-IYBDPMFKSA-N 2 0 340.464 1.162 10 0 EDAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000106522589 441348774 /nfs/dbraw/zinc/34/87/74/441348774.db2.gz PUGSAKXWYFUGHG-AEFFLSMTSA-N 2 0 347.507 1.224 10 0 EDAERP CCC[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000161837333 442037065 /nfs/dbraw/zinc/03/70/65/442037065.db2.gz YUZLTBKKVUPAKO-AWEZNQCLSA-N 2 0 348.447 1.825 10 0 EDAERP CN(C)C1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000132702375 442398315 /nfs/dbraw/zinc/39/83/15/442398315.db2.gz SSEAOMXFQYHGHB-CQSZACIVSA-N 2 0 327.469 1.696 10 0 EDAERP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247120744 442836961 /nfs/dbraw/zinc/83/69/61/442836961.db2.gz NWZBLRPUXCIOKT-OAGGEKHMSA-N 2 0 326.485 1.079 10 0 EDAERP CC[C@H]1CN(C(=O)NCc2cccnc2N(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248453897 442893588 /nfs/dbraw/zinc/89/35/88/442893588.db2.gz LMBBWAKJJXKMQB-HOCLYGCPSA-N 2 0 349.479 1.134 10 0 EDAERP CC[NH+](CC)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184682805 443058463 /nfs/dbraw/zinc/05/84/63/443058463.db2.gz HIZMKPHAPXOURP-HNNXBMFYSA-N 2 0 328.501 1.062 10 0 EDAERP COC[C@@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638303464 451417401 /nfs/dbraw/zinc/41/74/01/451417401.db2.gz YMICXRDLWAXSLR-VQIMIIECSA-N 2 0 333.476 1.782 10 0 EDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635101 /nfs/dbraw/zinc/63/51/01/453635101.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 2 0 330.520 1.780 10 0 EDAERP CC(C)[C@H](C[NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164294275 528995713 /nfs/dbraw/zinc/99/57/13/528995713.db2.gz XZMZDOPJEQAZHC-JTQLQIEISA-N 2 0 331.258 1.621 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175034643 529304920 /nfs/dbraw/zinc/30/49/20/529304920.db2.gz QWPNILGPUCVPJM-ZWKOTPCHSA-N 2 0 336.524 1.534 10 0 EDAERP COC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000053972046 214207770 /nfs/dbraw/zinc/20/77/70/214207770.db2.gz BNKDQBFKZMGRAX-UONOGXRCSA-N 2 0 331.254 1.778 10 0 EDAERP C[N@H+](C[C@@H](O)CN1CCCC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247261208 139142902 /nfs/dbraw/zinc/14/29/02/139142902.db2.gz FILXWMOQHRPUPF-RTBURBONSA-N 2 0 345.487 1.424 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000117492392 221071364 /nfs/dbraw/zinc/07/13/64/221071364.db2.gz ZSCRUVRYNPVPBO-HUUCEWRRSA-N 2 0 326.485 1.221 10 0 EDAERP C[C@@H]1C[C@H](C)N(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333300741 141295374 /nfs/dbraw/zinc/29/53/74/141295374.db2.gz QACAZGJONDPSLL-QPSCCSFWSA-N 2 0 333.480 1.333 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000164636659 226089797 /nfs/dbraw/zinc/08/97/97/226089797.db2.gz SZJDARKNLHCYES-LLVKDONJSA-N 2 0 343.269 1.780 10 0 EDAERP COc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000171898023 227345146 /nfs/dbraw/zinc/34/51/46/227345146.db2.gz HUVACTLQMRKQEP-AEFFLSMTSA-N 2 0 346.475 1.788 10 0 EDAERP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902997 227350050 /nfs/dbraw/zinc/35/00/50/227350050.db2.gz VVYPWZZZFKFADS-GOSISDBHSA-N 2 0 343.475 1.536 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000194145413 273000768 /nfs/dbraw/zinc/00/07/68/273000768.db2.gz SYJFCRVVLPZCDW-SFHVURJKSA-N 2 0 330.476 1.828 10 0 EDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000248087968 277165873 /nfs/dbraw/zinc/16/58/73/277165873.db2.gz SZCCNSNGTFTEJW-FGTMMUONSA-N 2 0 328.460 1.921 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000174922335 441984371 /nfs/dbraw/zinc/98/43/71/441984371.db2.gz QVDHKUPYPAWPNJ-RBUKOAKNSA-N 2 0 345.487 1.830 10 0 EDAERP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000192754714 442683228 /nfs/dbraw/zinc/68/32/28/442683228.db2.gz QXWDXTVWTBKLDE-OALUTQOASA-N 2 0 338.540 1.055 10 0 EDAERP CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000181974261 442724300 /nfs/dbraw/zinc/72/43/00/442724300.db2.gz FHBKYRBPSBJLRM-IRXDYDNUSA-N 2 0 340.512 1.062 10 0 EDAERP C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643792734 452658730 /nfs/dbraw/zinc/65/87/30/452658730.db2.gz QCXLEGXURYZILY-CGTJXYLNSA-N 2 0 331.460 1.249 10 0 EDAERP CC(C)[NH2+]CCC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164136062 527735021 /nfs/dbraw/zinc/73/50/21/527735021.db2.gz UQECBVKGWDHHIK-UHFFFAOYSA-N 2 0 331.258 1.778 10 0 EDAERP CC[C@H](C[NH3+])CC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164560652 529334709 /nfs/dbraw/zinc/33/47/09/529334709.db2.gz HLGYLEAMSGVIFY-JTQLQIEISA-N 2 0 331.258 1.765 10 0 EDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C12CCOCC2 ZINC000248973369 535502209 /nfs/dbraw/zinc/50/22/09/535502209.db2.gz HCFNWRARHNJWHQ-FGTMMUONSA-N 2 0 339.524 1.576 10 0 EDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000121640845 596404267 /nfs/dbraw/zinc/40/42/67/596404267.db2.gz VHSKMJIGALBRCI-HRCADAONSA-N 2 0 328.501 1.467 10 0 EDAERP C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)([NH+](C)C)C1 ZINC000247063523 139133908 /nfs/dbraw/zinc/13/39/08/139133908.db2.gz KGKYDIXKEJSMSW-RYRKJORJSA-N 2 0 340.512 1.469 10 0 EDAERP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000117031861 221025332 /nfs/dbraw/zinc/02/53/32/221025332.db2.gz NWZBLRPUXCIOKT-OWCLPIDISA-N 2 0 326.485 1.079 10 0 EDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000333472107 141322817 /nfs/dbraw/zinc/32/28/17/141322817.db2.gz AKZVZDWMKRVPHU-SPUZQDLCSA-N 2 0 330.476 1.851 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000049172740 287217679 /nfs/dbraw/zinc/21/76/79/287217679.db2.gz DCEVGRNQTFHIDI-INIZCTEOSA-N 2 0 326.485 1.005 10 0 EDAERP CC(C)[N@H+](C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415692 441655124 /nfs/dbraw/zinc/65/51/24/441655124.db2.gz NDGSQSOXPOSARL-UHFFFAOYSA-N 2 0 333.480 1.132 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@H]1CC ZINC000117045935 441862528 /nfs/dbraw/zinc/86/25/28/441862528.db2.gz MDECEKZBRLQKDW-HZPDHXFCSA-N 2 0 340.512 1.611 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000177502281 442350284 /nfs/dbraw/zinc/35/02/84/442350284.db2.gz XVLGSWTYLCAPBW-CQSZACIVSA-N 2 0 329.485 1.536 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000247274322 442844255 /nfs/dbraw/zinc/84/42/55/442844255.db2.gz ZSCRUVRYNPVPBO-LSDHHAIUSA-N 2 0 326.485 1.221 10 0 EDAERP COc1ccnc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC000190524293 443127551 /nfs/dbraw/zinc/12/75/51/443127551.db2.gz OSUYBPVSUXIAIH-AWEZNQCLSA-N 2 0 337.464 1.623 10 0 EDAERP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653202369 453396518 /nfs/dbraw/zinc/39/65/18/453396518.db2.gz KIRULZUIGVONKQ-NTDBWNAOSA-N 2 0 345.487 1.732 10 0 EDAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000653202368 453396743 /nfs/dbraw/zinc/39/67/43/453396743.db2.gz KIRULZUIGVONKQ-IMBTUZDBSA-N 2 0 345.487 1.732 10 0 EDAERP CC(C)[C@@H]([NH3+])CC(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164639429 528500996 /nfs/dbraw/zinc/50/09/96/528500996.db2.gz UWEWRQDOFFDRJP-NSHDSACASA-N 2 0 331.258 1.763 10 0 EDAERP CCCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247029774 535061970 /nfs/dbraw/zinc/06/19/70/535061970.db2.gz DCDKXERBBODUGB-JKSUJKDBSA-N 2 0 327.513 1.706 10 0 EDAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[NH+]1CCCC1 ZINC000261693182 535144942 /nfs/dbraw/zinc/14/49/42/535144942.db2.gz BCFDENIZXMUQOB-IRXDYDNUSA-N 2 0 325.497 1.757 10 0 EDAERP COCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097457 591028280 /nfs/dbraw/zinc/02/82/80/591028280.db2.gz JFNQPYNKHKWNEE-BDXSIMOUSA-N 2 0 336.480 1.099 10 0 EDAERP Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000862496354 596337121 /nfs/dbraw/zinc/33/71/21/596337121.db2.gz SWWVIQINBKQZBV-ZWKOTPCHSA-N 2 0 343.431 1.220 10 0 EDAERP Cc1cccc(OCCNC(=O)[C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261707149 139219387 /nfs/dbraw/zinc/21/93/87/139219387.db2.gz MCRXCYIGFYCGAM-DOTOQJQBSA-N 2 0 333.476 1.938 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000117482005 221070484 /nfs/dbraw/zinc/07/04/84/221070484.db2.gz LNTPMMZBGZLHES-SJORKVTESA-N 2 0 340.512 1.471 10 0 EDAERP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862483 441294493 /nfs/dbraw/zinc/29/44/93/441294493.db2.gz JMSZAMVGFGLMOU-CVEARBPZSA-N 2 0 327.513 1.562 10 0 EDAERP Cc1cc(NC(=O)CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862288 441294402 /nfs/dbraw/zinc/29/44/02/441294402.db2.gz XABLXMBXZCXMDX-CYBMUJFWSA-N 2 0 338.452 1.336 10 0 EDAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000176612415 442239749 /nfs/dbraw/zinc/23/97/49/442239749.db2.gz RQMNOFXAZJWUPZ-MRXNPFEDSA-N 2 0 326.485 1.221 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000172239909 442428310 /nfs/dbraw/zinc/42/83/10/442428310.db2.gz GAOFGAYGOUHLCB-GVDBMIGSSA-N 2 0 338.496 1.221 10 0 EDAERP CCO[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C12CCOCC2 ZINC000186215401 442488829 /nfs/dbraw/zinc/48/88/29/442488829.db2.gz KCRUSNBLILZESP-IRXDYDNUSA-N 2 0 325.497 1.188 10 0 EDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C12CCOCC2 ZINC000186318572 442510682 /nfs/dbraw/zinc/51/06/82/442510682.db2.gz HHDHBCCGKVLZBZ-FGTMMUONSA-N 2 0 339.524 1.434 10 0 EDAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000390723366 447496783 /nfs/dbraw/zinc/49/67/83/447496783.db2.gz PBMAZQWOQYBWKW-GOSISDBHSA-N 2 0 344.503 1.451 10 0 EDAERP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1CCC[NH2+]C1 ZINC000131790973 597741291 /nfs/dbraw/zinc/74/12/91/597741291.db2.gz RCPMGWPLGNOYLM-GOEBONIOSA-N 2 0 331.416 1.534 10 0 EDAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc(C[NH3+])c3)CC[C@@H]21 ZINC000166861757 530058826 /nfs/dbraw/zinc/05/88/26/530058826.db2.gz DWQYWSNBHMCCKH-RISCZKNCSA-N 2 0 329.491 1.312 10 0 EDAERP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCn1cccn1)CC[NH+](C)CC2 ZINC000072433530 283318055 /nfs/dbraw/zinc/31/80/55/283318055.db2.gz XZIDKONVKCKAFP-INIZCTEOSA-N 2 0 333.480 1.196 10 0 EDAERP C[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247120676 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QAODQWTVGRLMQB-HRCADAONSA-N 2 0 327.513 1.704 10 0 EDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000105845663 441292379 /nfs/dbraw/zinc/29/23/79/441292379.db2.gz QZZMSEAIUNWZHR-HXUWFJFHSA-N 2 0 331.504 1.956 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862361 441293545 /nfs/dbraw/zinc/29/35/45/441293545.db2.gz FAZJGZMKLYYYRC-HNNXBMFYSA-N 2 0 344.459 1.219 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000116792647 441847715 /nfs/dbraw/zinc/84/77/15/441847715.db2.gz PTCKYWYZEHDFFE-RTBURBONSA-N 2 0 345.487 1.688 10 0 EDAERP CCC[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000120762924 442128662 /nfs/dbraw/zinc/12/86/62/442128662.db2.gz YRMHIWYJISTTPQ-MRXNPFEDSA-N 2 0 333.480 1.180 10 0 EDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000247260973 442844545 /nfs/dbraw/zinc/84/45/45/442844545.db2.gz YMNVJNDLIFFFJC-OWCLPIDISA-N 2 0 326.485 1.079 10 0 EDAERP 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528389100 /nfs/dbraw/zinc/38/91/00/528389100.db2.gz VYZTYIUCCUHBKR-JTQLQIEISA-N 2 0 331.258 1.778 10 0 EDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000247274847 535520879 /nfs/dbraw/zinc/52/08/79/535520879.db2.gz RQQZNLLLPNASGQ-BBWFWOEESA-N 2 0 340.512 1.469 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000246438509 536165968 /nfs/dbraw/zinc/16/59/68/536165968.db2.gz UBAYWOLBUAIMNZ-IRXDYDNUSA-N 2 0 338.496 1.367 10 0 EDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262706563 139297739 /nfs/dbraw/zinc/29/77/39/139297739.db2.gz MNGVYBWAOONMIH-DOTOQJQBSA-N 2 0 327.513 1.957 10 0 EDAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031776 221025174 /nfs/dbraw/zinc/02/51/74/221025174.db2.gz OFYRHLMEFHBXER-DLBZAZTESA-N 2 0 340.512 1.469 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@@H]2CCC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000117483691 221070642 /nfs/dbraw/zinc/07/06/42/221070642.db2.gz LSNALVKJRXEKAD-CVEARBPZSA-N 2 0 326.485 1.223 10 0 EDAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000117473732 221068248 /nfs/dbraw/zinc/06/82/48/221068248.db2.gz OEXKJXWIGZVABJ-INIZCTEOSA-N 2 0 338.496 1.365 10 0 EDAERP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131488235 287511494 /nfs/dbraw/zinc/51/14/94/287511494.db2.gz IAMUCPQLNPLZKN-WMLDXEAASA-N 2 0 329.485 1.536 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000105862032 441292862 /nfs/dbraw/zinc/29/28/62/441292862.db2.gz YWLQJCMOUMGRHG-SJORKVTESA-N 2 0 347.503 1.716 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000121094666 442176917 /nfs/dbraw/zinc/17/69/17/442176917.db2.gz OOZSMLLARKPTKF-AWEZNQCLSA-N 2 0 336.480 1.241 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000170832117 442271584 /nfs/dbraw/zinc/27/15/84/442271584.db2.gz DEILODVNEMHTMA-KRWDZBQOSA-N 2 0 331.464 1.392 10 0 EDAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 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ZINC000333697131 295225312 /nfs/dbraw/zinc/22/53/12/295225312.db2.gz QIECICMIHBRAKF-HYVNUMGLSA-N 2 0 332.448 1.273 10 0 EDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000105275128 441246333 /nfs/dbraw/zinc/24/63/33/441246333.db2.gz ODFCRJWTKPASSV-SJORKVTESA-N 2 0 340.512 1.253 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000174646018 441949054 /nfs/dbraw/zinc/94/90/54/441949054.db2.gz REIBWGLUMPUKOC-LJQANCHMSA-N 2 0 344.503 1.648 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000176064498 442169860 /nfs/dbraw/zinc/16/98/60/442169860.db2.gz SZEZTNDIKFRHOK-INIZCTEOSA-N 2 0 346.475 1.596 10 0 EDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132347430 442391429 /nfs/dbraw/zinc/39/14/29/442391429.db2.gz NGQZCUNYNYNLQR-CABCVRRESA-N 2 0 326.485 1.221 10 0 EDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000172160385 442417102 /nfs/dbraw/zinc/41/71/02/442417102.db2.gz YCFBBEAPSHPNJE-MRXNPFEDSA-N 2 0 334.439 1.877 10 0 EDAERP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000246482232 442784978 /nfs/dbraw/zinc/78/49/78/442784978.db2.gz OQKIFCIPQRYVRN-JOCBIADPSA-N 2 0 333.476 1.626 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184888223 443092943 /nfs/dbraw/zinc/09/29/43/443092943.db2.gz KVIPAICDLQVNQV-BRWVUGGUSA-N 2 0 340.512 1.205 10 0 EDAERP CC[NH+](CC)CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184682789 443058452 /nfs/dbraw/zinc/05/84/52/443058452.db2.gz HIZMKPHAPXOURP-OAHLLOKOSA-N 2 0 328.501 1.062 10 0 EDAERP Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000583615968 448440501 /nfs/dbraw/zinc/44/05/01/448440501.db2.gz YNKSJCRFXNUTOV-CZUORRHYSA-N 2 0 325.372 1.718 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635679 450456504 /nfs/dbraw/zinc/45/65/04/450456504.db2.gz KAPZTGVTEWKCLX-INIZCTEOSA-N 2 0 334.464 1.963 10 0 EDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638122955 451292028 /nfs/dbraw/zinc/29/20/28/451292028.db2.gz RAEWDPUWYWUYAF-BHIYHBOVSA-N 2 0 344.503 1.531 10 0 EDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000333084230 535158515 /nfs/dbraw/zinc/15/85/15/535158515.db2.gz BFXPEUMHUMAREO-QZTJIDSGSA-N 2 0 347.507 1.945 10 0 EDAERP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170835244 282111154 /nfs/dbraw/zinc/11/11/54/282111154.db2.gz AQEWEJSNHIUUSI-INIZCTEOSA-N 2 0 334.464 1.473 10 0 EDAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C[NH3+])cs3)CC[C@@H]21 ZINC000166866410 530059141 /nfs/dbraw/zinc/05/91/41/530059141.db2.gz OWTACSNPOMACIB-OLZOCXBDSA-N 2 0 329.491 1.312 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000246213876 139099570 /nfs/dbraw/zinc/09/95/70/139099570.db2.gz FZZSMDRUEHIDMN-KSZLIROESA-N 2 0 339.524 1.972 10 0 EDAERP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261794176 139226562 /nfs/dbraw/zinc/22/65/62/139226562.db2.gz VHAWBNXZSWVEHY-HZMBPMFUSA-N 2 0 331.420 1.242 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000262076863 139249081 /nfs/dbraw/zinc/24/90/81/139249081.db2.gz CCWRUPHNYWSISA-KURKYZTESA-N 2 0 345.491 1.104 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000262223355 139261439 /nfs/dbraw/zinc/26/14/39/139261439.db2.gz JPPBKYQWAPRQLO-SQNIBIBYSA-N 2 0 341.459 1.142 10 0 EDAERP C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000117039933 221026454 /nfs/dbraw/zinc/02/64/54/221026454.db2.gz GABNUEPGBHRLDJ-HZPDHXFCSA-N 2 0 326.485 1.079 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000117480578 221069567 /nfs/dbraw/zinc/06/95/67/221069567.db2.gz SFOGYGUJVVMLQO-DLBZAZTESA-N 2 0 342.528 1.715 10 0 EDAERP CN(CC(=O)NC1CCOCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000333111629 141265854 /nfs/dbraw/zinc/26/58/54/141265854.db2.gz FLMDBGRPCKMEJC-LPHOPBHVSA-N 2 0 346.475 1.301 10 0 EDAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000333501173 141327600 /nfs/dbraw/zinc/32/76/00/141327600.db2.gz FLVZEACAKXIGPB-DLBZAZTESA-N 2 0 332.448 1.273 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCCC[NH2+]1 ZINC000164064342 226040576 /nfs/dbraw/zinc/04/05/76/226040576.db2.gz KPOJGLONWWEYQV-LLVKDONJSA-N 2 0 329.242 1.532 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@](C)([NH3+])C1CC1 ZINC000164151254 226048912 /nfs/dbraw/zinc/04/89/12/226048912.db2.gz FJDJURLTHVTGSH-CYBMUJFWSA-N 2 0 329.242 1.517 10 0 EDAERP C[NH+](C)CCn1ncc(Cl)c1C(=O)c1csc(CC[NH3+])n1 ZINC000164431812 226071408 /nfs/dbraw/zinc/07/14/08/226071408.db2.gz GQDATOIIMPTWLO-UHFFFAOYSA-N 2 0 327.841 1.287 10 0 EDAERP [NH3+]C[C@H](c1cncc(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000166113743 226148648 /nfs/dbraw/zinc/14/86/48/226148648.db2.gz WNUDABPWWQRLCU-OAHLLOKOSA-N 2 0 339.281 1.872 10 0 EDAERP C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000123230937 222238863 /nfs/dbraw/zinc/23/88/63/222238863.db2.gz NLRFQTZGRVYWFR-DLBZAZTESA-N 2 0 335.492 1.998 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)CCCOC ZINC000245590036 281197585 /nfs/dbraw/zinc/19/75/85/281197585.db2.gz AXPGASWNCVMJBD-HOTGVXAUSA-N 2 0 326.485 1.223 10 0 EDAERP COCCC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106915734 441389959 /nfs/dbraw/zinc/38/99/59/441389959.db2.gz UMMITYVLQQHCPI-LJQANCHMSA-N 2 0 347.503 1.776 10 0 EDAERP CN(C)C1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000132702214 442398258 /nfs/dbraw/zinc/39/82/58/442398258.db2.gz SSEAOMXFQYHGHB-AWEZNQCLSA-N 2 0 327.469 1.696 10 0 EDAERP C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000180593951 442629991 /nfs/dbraw/zinc/62/99/91/442629991.db2.gz GNEMTAXOJWFRGC-ZBFHGGJFSA-N 2 0 329.448 1.884 10 0 EDAERP CC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246681306 442801320 /nfs/dbraw/zinc/80/13/20/442801320.db2.gz AXVOVZKXEHYKRV-YJBOKZPZSA-N 2 0 333.476 1.665 10 0 EDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000247174675 442838776 /nfs/dbraw/zinc/83/87/76/442838776.db2.gz RKUXHCZGHAOCIX-VVLHAWIVSA-N 2 0 340.512 1.325 10 0 EDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C/C=C\CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000255162810 443087956 /nfs/dbraw/zinc/08/79/56/443087956.db2.gz DOBZAXOWHIUUBW-XLEOCTNXSA-N 2 0 332.536 1.880 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000246113261 443269337 /nfs/dbraw/zinc/26/93/37/443269337.db2.gz HWKNLBULBBOQEO-BRWVUGGUSA-N 2 0 338.496 1.365 10 0 EDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391052175 447509363 /nfs/dbraw/zinc/50/93/63/447509363.db2.gz XZXUOFUWSABWDR-RBUKOAKNSA-N 2 0 344.503 1.295 10 0 EDAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638852229 451711526 /nfs/dbraw/zinc/71/15/26/451711526.db2.gz VWGKZQWJGIFFIR-RTBURBONSA-N 2 0 345.487 1.783 10 0 EDAERP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740987 453466436 /nfs/dbraw/zinc/46/64/36/453466436.db2.gz BMHZJBGTHDXBNI-OALUTQOASA-N 2 0 344.503 1.309 10 0 EDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOC)[C@@H](CC)C2)C1 ZINC000247276201 534939686 /nfs/dbraw/zinc/93/96/86/534939686.db2.gz ZZCCVHVNGWHOSK-IRXDYDNUSA-N 2 0 340.512 1.471 10 0 EDAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cncc(Br)c2)CC[N@@H+]1C ZINC000166141253 529401345 /nfs/dbraw/zinc/40/13/45/529401345.db2.gz IQPJYSBPCFLBKR-KGLIPLIRSA-N 2 0 327.270 1.870 10 0 EDAERP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CCC1 ZINC000067695415 215188027 /nfs/dbraw/zinc/18/80/27/215188027.db2.gz RYBQQGHJPMOMPN-ZDUSSCGKSA-N 2 0 343.431 1.432 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000246438523 139108416 /nfs/dbraw/zinc/10/84/16/139108416.db2.gz UBAYWOLBUAIMNZ-SJORKVTESA-N 2 0 338.496 1.367 10 0 EDAERP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246661336 139116936 /nfs/dbraw/zinc/11/69/36/139116936.db2.gz DMZZTHOYYPCSEV-OWCLPIDISA-N 2 0 332.448 1.499 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246678983 139117373 /nfs/dbraw/zinc/11/73/73/139117373.db2.gz DCFWAMHABMYZDK-NCOADZHNSA-N 2 0 339.524 1.799 10 0 EDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247051613 139133244 /nfs/dbraw/zinc/13/32/44/139133244.db2.gz JPPVLUZHOMUCGJ-SJORKVTESA-N 2 0 340.512 1.471 10 0 EDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000247274874 286060532 /nfs/dbraw/zinc/06/05/32/286060532.db2.gz RQQZNLLLPNASGQ-ZACQAIPSSA-N 2 0 340.512 1.469 10 0 EDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000247274857 286060686 /nfs/dbraw/zinc/06/06/86/286060686.db2.gz RQQZNLLLPNASGQ-ULQDDVLXSA-N 2 0 340.512 1.469 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000164370519 226068708 /nfs/dbraw/zinc/06/87/08/226068708.db2.gz DEGGPLUBVGAZDG-ONGXEEELSA-N 2 0 329.242 1.517 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000121094827 278395485 /nfs/dbraw/zinc/39/54/85/278395485.db2.gz OOZSMLLARKPTKF-CQSZACIVSA-N 2 0 336.480 1.241 10 0 EDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176437270 279275544 /nfs/dbraw/zinc/27/55/44/279275544.db2.gz LVCRMFFFJMDREU-WBVHZDCISA-N 2 0 325.497 1.412 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000185176547 289198067 /nfs/dbraw/zinc/19/80/67/289198067.db2.gz QXAVDNSSTVZWEN-OAHLLOKOSA-N 2 0 326.485 1.080 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000105174531 441240619 /nfs/dbraw/zinc/24/06/19/441240619.db2.gz LFENBZRJIXAHGF-INIZCTEOSA-N 2 0 339.528 1.138 10 0 EDAERP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104779685 441206619 /nfs/dbraw/zinc/20/66/19/441206619.db2.gz XZDJSVPZGUXVCL-GOSISDBHSA-N 2 0 348.491 1.658 10 0 EDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121866878 441798917 /nfs/dbraw/zinc/79/89/17/441798917.db2.gz SCXYVCKBVOTCFO-KRWDZBQOSA-N 2 0 348.491 1.779 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000174823869 441972688 /nfs/dbraw/zinc/97/26/88/441972688.db2.gz HWKNLBULBBOQEO-IXDOHACOSA-N 2 0 338.496 1.365 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000176849378 442263133 /nfs/dbraw/zinc/26/31/33/442263133.db2.gz JGXBXBMZKIKTPF-BBWFWOEESA-N 2 0 340.512 1.371 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171200656 442326855 /nfs/dbraw/zinc/32/68/55/442326855.db2.gz MAWHNNNGNHTSIL-MRXNPFEDSA-N 2 0 326.485 1.271 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177343198 442330253 /nfs/dbraw/zinc/33/02/53/442330253.db2.gz JBJICXWYDPPQOX-IXDOHACOSA-N 2 0 340.512 1.611 10 0 EDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000171593040 442360849 /nfs/dbraw/zinc/36/08/49/442360849.db2.gz PGXJPZIXDGFWDK-IAGOWNOFSA-N 2 0 338.496 1.223 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179754802 442497415 /nfs/dbraw/zinc/49/74/15/442497415.db2.gz SURFUCXGADIEPD-QGZVFWFLSA-N 2 0 331.464 1.644 10 0 EDAERP C[C@H](CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[N@H+](C)C1CC1 ZINC000181710527 442711716 /nfs/dbraw/zinc/71/17/16/442711716.db2.gz ZDPNYQBGBSZVRO-CABCVRRESA-N 2 0 340.512 1.203 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@@H](C)O ZINC000248502941 442897054 /nfs/dbraw/zinc/89/70/54/442897054.db2.gz UPBVTNZDDWRUIS-BRWVUGGUSA-N 2 0 340.512 1.347 10 0 EDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000185215056 443162631 /nfs/dbraw/zinc/16/26/31/443162631.db2.gz GKTJGPBPBIBMKX-MRXNPFEDSA-N 2 0 339.528 1.186 10 0 EDAERP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000659288637 453704374 /nfs/dbraw/zinc/70/43/74/453704374.db2.gz MJIHEJRNBSJFPT-KPFFTGBYSA-N 2 0 345.487 1.782 10 0 EDAERP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCCC1 ZINC000261693178 535109042 /nfs/dbraw/zinc/10/90/42/535109042.db2.gz BCFDENIZXMUQOB-IAGOWNOFSA-N 2 0 325.497 1.757 10 0 EDAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000180210923 698689575 /nfs/dbraw/zinc/68/95/75/698689575.db2.gz IREIWQXYRCTATE-CVEARBPZSA-N 2 0 341.496 1.822 10 0 EDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C1CCN(C(=O)c3cnccn3)CC1)C2 ZINC000067726833 215196060 /nfs/dbraw/zinc/19/60/60/215196060.db2.gz JMRBTNFTAWZAPY-IBGZPJMESA-N 2 0 343.475 1.499 10 0 EDAERP C[NH+](C)CCN1C[C@@]2(CCC[N@H+](CCc3ccccn3)C2)CCC1=O ZINC000072426874 216217991 /nfs/dbraw/zinc/21/79/91/216217991.db2.gz QDQFYPBQXNNVBH-FQEVSTJZSA-N 2 0 344.503 1.890 10 0 EDAERP O=C(CN1CCN(Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329674 139014541 /nfs/dbraw/zinc/01/45/41/139014541.db2.gz AGXQGPFVGPQGBA-LJQANCHMSA-N 2 0 342.487 1.111 10 0 EDAERP CC1(C)CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261703872 139219054 /nfs/dbraw/zinc/21/90/54/139219054.db2.gz BOMPCJKNFOUSPE-SFHVURJKSA-N 2 0 344.503 1.785 10 0 EDAERP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262028077 139244900 /nfs/dbraw/zinc/24/49/00/139244900.db2.gz PEJAOGQWIDRQSM-KSZLIROESA-N 2 0 331.460 1.616 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000117031773 221024898 /nfs/dbraw/zinc/02/48/98/221024898.db2.gz OFYRHLMEFHBXER-IAGOWNOFSA-N 2 0 340.512 1.469 10 0 EDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117036926 221025372 /nfs/dbraw/zinc/02/53/72/221025372.db2.gz ABLNYIURJLNZRG-ROUUACIJSA-N 2 0 348.491 1.131 10 0 EDAERP C[NH+](C)CCN1CCN(c2cccc(Br)c2C[NH3+])CC1 ZINC000168307200 226211705 /nfs/dbraw/zinc/21/17/05/226211705.db2.gz CRDDMQIATLBGSI-UHFFFAOYSA-N 2 0 341.297 1.591 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000248408546 288317326 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EDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000170829685 442271209 /nfs/dbraw/zinc/27/12/09/442271209.db2.gz OVLLCZSRVPEKJU-SFHVURJKSA-N 2 0 330.476 1.780 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000177532858 442354448 /nfs/dbraw/zinc/35/44/48/442354448.db2.gz NRIROSOXTDQYNI-HNNXBMFYSA-N 2 0 326.485 1.223 10 0 EDAERP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131488061 442373055 /nfs/dbraw/zinc/37/30/55/442373055.db2.gz IAMUCPQLNPLZKN-RHSMWYFYSA-N 2 0 329.485 1.536 10 0 EDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000177793652 442385341 /nfs/dbraw/zinc/38/53/41/442385341.db2.gz GUKNTJAEVZQLMW-GVDBMIGSSA-N 2 0 338.496 1.080 10 0 EDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000157994499 442635432 /nfs/dbraw/zinc/63/54/32/442635432.db2.gz IIYNUERQFGDMAS-HOTGVXAUSA-N 2 0 326.485 1.127 10 0 EDAERP C[C@H](C(=O)N(C)C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247218637 442842312 /nfs/dbraw/zinc/84/23/12/442842312.db2.gz QJUDXYSRWUCNNU-VQIMIIECSA-N 2 0 347.503 1.841 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248445915 442892101 /nfs/dbraw/zinc/89/21/01/442892101.db2.gz FJHYQSXALRYRQJ-IRXDYDNUSA-N 2 0 340.512 1.205 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248455995 442894262 /nfs/dbraw/zinc/89/42/62/442894262.db2.gz MZMFRHBMNCKSSU-RDJZCZTQSA-N 2 0 340.512 1.205 10 0 EDAERP CC(C)[C@H]([NH3+])CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391040335 447509727 /nfs/dbraw/zinc/50/97/27/447509727.db2.gz DIIPECHYGIXZIR-GOSISDBHSA-N 2 0 332.492 1.294 10 0 EDAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662714371 453439415 /nfs/dbraw/zinc/43/94/15/453439415.db2.gz HHLNDJRWVXDYFG-SJORKVTESA-N 2 0 331.460 1.379 10 0 EDAERP C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000261917669 299210473 /nfs/dbraw/zinc/21/04/73/299210473.db2.gz IIMPUIMTWNSYTJ-YSVLISHTSA-N 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CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C12CCOCC2 ZINC000248974388 279817292 /nfs/dbraw/zinc/81/72/92/279817292.db2.gz HHDHBCCGKVLZBZ-RCCFBDPRSA-N 2 0 339.524 1.434 10 0 EDAERP CC(C)[NH2+]C[C@@H](O)COc1cccc(OC[C@H](O)C[NH2+]C(C)C)c1 ZINC000004655712 440923819 /nfs/dbraw/zinc/92/38/19/440923819.db2.gz XDXQFTJHEQWZBU-HZPDHXFCSA-N 2 0 340.464 1.162 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000176879865 442266610 /nfs/dbraw/zinc/26/66/10/442266610.db2.gz RIYDEGWZSNPOHF-IRXDYDNUSA-N 2 0 339.524 1.802 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000179856700 442512592 /nfs/dbraw/zinc/51/25/92/442512592.db2.gz ZXCVKIZSKAXOQZ-JQHSSLGASA-N 2 0 339.524 1.835 10 0 EDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(CCOC)[C@H](CC)C2)C1(C)C ZINC000249063602 442948546 /nfs/dbraw/zinc/94/85/46/442948546.db2.gz HVDFHDYQIZJTQV-RKVPGOIHSA-N 2 0 341.496 1.088 10 0 EDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)N1CCOCC1 ZINC000245691507 443245031 /nfs/dbraw/zinc/24/50/31/443245031.db2.gz XGBDYLMTWLDMPB-NJAFHUGGSA-N 2 0 346.475 1.452 10 0 EDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164512037 534131080 /nfs/dbraw/zinc/13/10/80/534131080.db2.gz FMVWSGNXJCRKTL-UWVGGRQHSA-N 2 0 329.242 1.388 10 0 EDAERP CC(C)(C)OC(=O)N1CCN[C@@H](c2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000725266090 539401203 /nfs/dbraw/zinc/40/12/03/539401203.db2.gz LSVBFNRMBVNYFI-CHWSQXEVSA-N 2 0 336.440 1.084 10 0 EDAERP C[NH+](C)CC(=O)N1CCOc2c(C[NH3+])cc(Br)cc2C1 ZINC000675068670 539852697 /nfs/dbraw/zinc/85/26/97/539852697.db2.gz CTDQTONRMRDMIX-UHFFFAOYSA-N 2 0 342.237 1.190 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123775722 138320997 /nfs/dbraw/zinc/32/09/97/138320997.db2.gz IKANTXZHPHWHQC-QGZVFWFLSA-N 2 0 341.544 1.288 10 0 EDAERP CC(C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862793 204173471 /nfs/dbraw/zinc/17/34/71/204173471.db2.gz DYJAHZGUPGNONV-LJQANCHMSA-N 2 0 347.503 1.888 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1C ZINC000248571217 139167841 /nfs/dbraw/zinc/16/78/41/139167841.db2.gz CQMVVGOLRLFDGT-PMPSAXMXSA-N 2 0 342.528 1.449 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1CCOC ZINC000117469365 221067005 /nfs/dbraw/zinc/06/70/05/221067005.db2.gz ZCTXJBYXVIDVKX-KRWDZBQOSA-N 2 0 342.528 1.857 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000130689758 277390998 /nfs/dbraw/zinc/39/09/98/277390998.db2.gz PLQJXQVZCPZXOT-DLBZAZTESA-N 2 0 340.512 1.326 10 0 EDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000105862465 278395182 /nfs/dbraw/zinc/39/51/82/278395182.db2.gz DYDZJWXSPZKLFR-CQSZACIVSA-N 2 0 337.508 1.316 10 0 EDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184830947 279142461 /nfs/dbraw/zinc/14/24/61/279142461.db2.gz VFNFMHKSSYSNPF-HOTGVXAUSA-N 2 0 342.528 1.451 10 0 EDAERP CN(CC[N@H+](C)C[C@H](O)COCc1ccccc1)C1CC[NH+](C)CC1 ZINC000119311775 441928219 /nfs/dbraw/zinc/92/82/19/441928219.db2.gz ACSKJLIZISZJIO-FQEVSTJZSA-N 2 0 349.519 1.522 10 0 EDAERP CC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CCN1CCOC ZINC000168071125 442223161 /nfs/dbraw/zinc/22/31/61/442223161.db2.gz YGOYLTFDAQQAOH-WMZOPIPTSA-N 2 0 331.460 1.443 10 0 EDAERP C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCS1 ZINC000171686955 442370057 /nfs/dbraw/zinc/37/00/57/442370057.db2.gz WUSGIQFABQCKSH-HNNXBMFYSA-N 2 0 349.500 1.895 10 0 EDAERP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000132227876 442389868 /nfs/dbraw/zinc/38/98/68/442389868.db2.gz DFLNGPZEQCDUSO-HUUCEWRRSA-N 2 0 326.485 1.221 10 0 EDAERP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000179658636 442485759 /nfs/dbraw/zinc/48/57/59/442485759.db2.gz OIEKJEKLFUGSLR-MRXNPFEDSA-N 2 0 347.463 1.012 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183245977 442909885 /nfs/dbraw/zinc/90/98/85/442909885.db2.gz YEOICHIEYOTCAH-QGZVFWFLSA-N 2 0 348.491 1.872 10 0 EDAERP CC[NH+](CC)CCN1C(N)=[NH+]C[C@@H]1c1cncc(Br)c1 ZINC000166765674 528126123 /nfs/dbraw/zinc/12/61/23/528126123.db2.gz BLYGFJKIEABNIE-CYBMUJFWSA-N 2 0 340.269 1.857 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000176014368 282123386 /nfs/dbraw/zinc/12/33/86/282123386.db2.gz YUDWHRCNOYTZMO-QGZVFWFLSA-N 2 0 338.496 1.365 10 0 EDAERP COc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cc(=O)[nH]2)cc1 ZINC000073696081 202372170 /nfs/dbraw/zinc/37/21/70/202372170.db2.gz SSVTWCUPAUAQEJ-UHFFFAOYSA-N 2 0 328.416 1.616 10 0 EDAERP CC1CC[NH+](CCCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117027481 201076334 /nfs/dbraw/zinc/07/63/34/201076334.db2.gz GCZGLYHSMKKMMK-INIZCTEOSA-N 2 0 326.485 1.080 10 0 EDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000245830246 139087077 /nfs/dbraw/zinc/08/70/77/139087077.db2.gz BPVREKHPIZRMCG-AEFFLSMTSA-N 2 0 330.476 1.997 10 0 EDAERP COCCN1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000246973224 139129250 /nfs/dbraw/zinc/12/92/50/139129250.db2.gz DZWZLYVFXSHJND-CVEARBPZSA-N 2 0 326.485 1.080 10 0 EDAERP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262207513 139259993 /nfs/dbraw/zinc/25/99/93/139259993.db2.gz IPTAGIWRDQQZPM-KRWDZBQOSA-N 2 0 345.491 1.343 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000107389576 285265108 /nfs/dbraw/zinc/26/51/08/285265108.db2.gz OBAQANBKGKLZIF-KRWDZBQOSA-N 2 0 333.480 1.639 10 0 EDAERP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000121128233 287368236 /nfs/dbraw/zinc/36/82/36/287368236.db2.gz GRNVEFADGDIFLT-HUUCEWRRSA-N 2 0 328.501 1.109 10 0 EDAERP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000246223938 280351680 /nfs/dbraw/zinc/35/16/80/280351680.db2.gz GYSIHPBDFMWHOK-LUKYLMHMSA-N 2 0 325.497 1.316 10 0 EDAERP CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116786989 441845107 /nfs/dbraw/zinc/84/51/07/441845107.db2.gz DRTUINSBIRYAPK-QZTJIDSGSA-N 2 0 333.476 1.859 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000176983022 442280497 /nfs/dbraw/zinc/28/04/97/442280497.db2.gz IOJLHMFMSQVELM-KRWDZBQOSA-N 2 0 345.491 1.390 10 0 EDAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179743777 442496459 /nfs/dbraw/zinc/49/64/59/442496459.db2.gz AQPPSUFTFCDJSG-SFHVURJKSA-N 2 0 343.475 1.788 10 0 EDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000180757173 442656139 /nfs/dbraw/zinc/65/61/39/442656139.db2.gz UCXZCXHXPSSSII-DLBZAZTESA-N 2 0 348.491 1.215 10 0 EDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000246272427 442768622 /nfs/dbraw/zinc/76/86/22/442768622.db2.gz LWJJFHMNGUXNHD-MHORFTMASA-N 2 0 336.524 1.521 10 0 EDAERP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCC(C)CC1 ZINC000194476669 442904416 /nfs/dbraw/zinc/90/44/16/442904416.db2.gz QDWUNEVIUKVZPD-IRXDYDNUSA-N 2 0 340.512 1.253 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000262220275 536033799 /nfs/dbraw/zinc/03/37/99/536033799.db2.gz JKPYHEAKDPLQKD-MSOLQXFVSA-N 2 0 341.459 1.101 10 0 EDAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)CCn1cccn1)CC[NH+](C)CC2 ZINC000072428086 203223412 /nfs/dbraw/zinc/22/34/12/203223412.db2.gz SXXWHVLUKWJIBZ-QGZVFWFLSA-N 2 0 347.507 1.538 10 0 EDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073130848 203256659 /nfs/dbraw/zinc/25/66/59/203256659.db2.gz QBWZRODZKANJPV-QGZVFWFLSA-N 2 0 333.476 1.386 10 0 EDAERP CCC[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000236862548 139033631 /nfs/dbraw/zinc/03/36/31/139033631.db2.gz BZSWTYJWQFGRMI-SFHVURJKSA-N 2 0 333.476 1.947 10 0 EDAERP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@@H](C)O1 ZINC000246957957 139128474 /nfs/dbraw/zinc/12/84/74/139128474.db2.gz DIICBJCLDJOCSG-HZMVEIRTSA-N 2 0 338.496 1.364 10 0 EDAERP CC[C@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000117480581 221070663 /nfs/dbraw/zinc/07/06/63/221070663.db2.gz SFOGYGUJVVMLQO-IRXDYDNUSA-N 2 0 342.528 1.715 10 0 EDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862494 441294069 /nfs/dbraw/zinc/29/40/69/441294069.db2.gz QAODQWTVGRLMQB-XHSDSOJGSA-N 2 0 327.513 1.704 10 0 EDAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000176612401 442239965 /nfs/dbraw/zinc/23/99/65/442239965.db2.gz RQMNOFXAZJWUPZ-INIZCTEOSA-N 2 0 326.485 1.221 10 0 EDAERP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000176625369 442241088 /nfs/dbraw/zinc/24/10/88/442241088.db2.gz CYVSRKOPGYJGEG-KRWDZBQOSA-N 2 0 338.496 1.365 10 0 EDAERP C[C@@H](O)C1CC[NH+](CCOCC[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000178700206 442458231 /nfs/dbraw/zinc/45/82/31/442458231.db2.gz YAJCXBRLKLWTPP-IYBDPMFKSA-N 2 0 328.497 1.189 10 0 EDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C12CCOCC2 ZINC000186374243 442521726 /nfs/dbraw/zinc/52/17/26/442521726.db2.gz RPDJJMNTDHMBBO-ROUUACIJSA-N 2 0 339.524 1.576 10 0 EDAERP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCN2C2CC2)c1 ZINC000189000704 442858511 /nfs/dbraw/zinc/85/85/11/442858511.db2.gz RLCAMFBBGWIMGY-OKDNKWQNSA-N 2 0 347.434 1.789 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248452911 442893255 /nfs/dbraw/zinc/89/32/55/442893255.db2.gz KVIPAICDLQVNQV-IXDOHACOSA-N 2 0 340.512 1.205 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194421584 442893636 /nfs/dbraw/zinc/89/36/36/442893636.db2.gz ICNBRSNYWAIKAO-ROUUACIJSA-N 2 0 330.476 1.854 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183225059 442907495 /nfs/dbraw/zinc/90/74/95/442907495.db2.gz VPOHXMPKUXQJIQ-DLBZAZTESA-N 2 0 346.475 1.721 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000248043981 535946631 /nfs/dbraw/zinc/94/66/31/535946631.db2.gz MOCUPGCSFMCPIG-FGTMMUONSA-N 2 0 346.475 1.404 10 0 EDAERP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)nc1)C2 ZINC000888097291 591028366 /nfs/dbraw/zinc/02/83/66/591028366.db2.gz GWFPDTKBILNXPW-PSBWJHGTSA-N 2 0 332.492 1.717 10 0 EDAERP [NH3+][C@@H](CCN1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000053937019 214206940 /nfs/dbraw/zinc/20/69/40/214206940.db2.gz CNFDIVNNUZGFSH-HNNXBMFYSA-N 2 0 342.281 1.449 10 0 EDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000124392878 138326312 /nfs/dbraw/zinc/32/63/12/138326312.db2.gz ARZKXPPGSVWOCW-SJORKVTESA-N 2 0 338.496 1.223 10 0 EDAERP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCn1cccn1)CC[NH+](C)CC2 ZINC000072433529 216228106 /nfs/dbraw/zinc/22/81/06/216228106.db2.gz XZIDKONVKCKAFP-MRXNPFEDSA-N 2 0 333.480 1.196 10 0 EDAERP COc1cc2c(c(OC)c1OC)CN(C1CC[NH+](C)CC1)[C@H]2C[NH3+] ZINC000071684678 203103824 /nfs/dbraw/zinc/10/38/24/203103824.db2.gz FFYODMBLSJFPAD-HNNXBMFYSA-N 2 0 335.448 1.622 10 0 EDAERP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195286354 139012452 /nfs/dbraw/zinc/01/24/52/139012452.db2.gz SNGPRQQPZAKYIX-MOPGFXCFSA-N 2 0 335.492 1.869 10 0 EDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000247335117 139145299 /nfs/dbraw/zinc/14/52/99/139145299.db2.gz NATKBMLMQVXTTF-KRWDZBQOSA-N 2 0 334.439 1.747 10 0 EDAERP CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000261626864 139212478 /nfs/dbraw/zinc/21/24/78/139212478.db2.gz DYJWEPADEOYOGH-MRXNPFEDSA-N 2 0 345.491 1.180 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000262399069 139276174 /nfs/dbraw/zinc/27/61/74/139276174.db2.gz YMHLEKONXRUKKH-ILXRZTDVSA-N 2 0 347.488 1.204 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C12CCOCC2 ZINC000186322575 286280733 /nfs/dbraw/zinc/28/07/33/286280733.db2.gz CCSHJVIXZDDOJU-QZTJIDSGSA-N 2 0 339.524 1.578 10 0 EDAERP C[NH+](C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000192797054 272986508 /nfs/dbraw/zinc/98/65/08/272986508.db2.gz WEIAACIWXUKWMO-QZTJIDSGSA-N 2 0 348.491 1.435 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000246333331 288315703 /nfs/dbraw/zinc/31/57/03/288315703.db2.gz ONEAETRCTVIGDD-IRXDYDNUSA-N 2 0 338.496 1.365 10 0 EDAERP CCC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[NH+](C)C ZINC000162100015 442063487 /nfs/dbraw/zinc/06/34/87/442063487.db2.gz GAYPBWGNBSUCJE-INIZCTEOSA-N 2 0 325.497 1.868 10 0 EDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000170828698 442269964 /nfs/dbraw/zinc/26/99/64/442269964.db2.gz CGHPSCVYWRJBIU-KRWDZBQOSA-N 2 0 331.464 1.392 10 0 EDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000177551889 442356863 /nfs/dbraw/zinc/35/68/63/442356863.db2.gz CAPOJEXENLKGSM-LSDHHAIUSA-N 2 0 334.468 1.535 10 0 EDAERP CCCC(=O)N[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192730176 442681652 /nfs/dbraw/zinc/68/16/52/442681652.db2.gz CPTKJDGBYDSNBC-SFHVURJKSA-N 2 0 338.540 1.783 10 0 EDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247174654 442839127 /nfs/dbraw/zinc/83/91/27/442839127.db2.gz RKUXHCZGHAOCIX-TWMKSMIVSA-N 2 0 340.512 1.325 10 0 EDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000249782207 443004846 /nfs/dbraw/zinc/00/48/46/443004846.db2.gz QCJPDIIRBWOLKJ-BRWVUGGUSA-N 2 0 340.512 1.253 10 0 EDAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000184892096 443093560 /nfs/dbraw/zinc/09/35/60/443093560.db2.gz ABDYZAZOJUQDQZ-SFHVURJKSA-N 2 0 345.491 1.996 10 0 EDAERP CC[C@@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184697437 443061639 /nfs/dbraw/zinc/06/16/39/443061639.db2.gz FLJYYIDYXQGCQS-IAGOWNOFSA-N 2 0 342.528 1.592 10 0 EDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000185049612 443125344 /nfs/dbraw/zinc/12/53/44/443125344.db2.gz VYYLLWLLCPIKKJ-ARFHVFGLSA-N 2 0 328.501 1.203 10 0 EDAERP C[NH+]1CCC(Oc2cccc3c2CN(CC(C)(C)CO)[C@H]3C[NH3+])CC1 ZINC000071684992 203103631 /nfs/dbraw/zinc/10/36/31/203103631.db2.gz DWFHMQXEQVCITC-SFHVURJKSA-N 2 0 347.503 1.994 10 0 EDAERP COC(=O)[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800437 206158056 /nfs/dbraw/zinc/15/80/56/206158056.db2.gz GBDWXHKJMRXLKH-IYBDPMFKSA-N 2 0 340.464 1.537 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000248866448 139178408 /nfs/dbraw/zinc/17/84/08/139178408.db2.gz QDYJRCNCKWBWAP-BPQIPLTHSA-N 2 0 330.476 1.852 10 0 EDAERP CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000261626859 139212472 /nfs/dbraw/zinc/21/24/72/139212472.db2.gz DYJWEPADEOYOGH-INIZCTEOSA-N 2 0 345.491 1.180 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000164373906 226068791 /nfs/dbraw/zinc/06/87/91/226068791.db2.gz MLCOTIAVJLQGRO-CYBMUJFWSA-N 2 0 329.242 1.532 10 0 EDAERP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C[NH+]1CCCCC1 ZINC000117036635 289651284 /nfs/dbraw/zinc/65/12/84/289651284.db2.gz FISUFELBGCJKKN-CVEARBPZSA-N 2 0 326.485 1.080 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COCc2ccco2)CC1 ZINC000105903264 441312893 /nfs/dbraw/zinc/31/28/93/441312893.db2.gz WDFJNMBWYSLKCV-RDJZCZTQSA-N 2 0 340.464 1.182 10 0 EDAERP COCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000176623059 442240975 /nfs/dbraw/zinc/24/09/75/442240975.db2.gz TZMVVVMBUWHRFT-HOCLYGCPSA-N 2 0 326.485 1.125 10 0 EDAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170874731 442281243 /nfs/dbraw/zinc/28/12/43/442281243.db2.gz STMYFDSCERXESV-KRWDZBQOSA-N 2 0 345.491 1.915 10 0 EDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2sccc2C1 ZINC000171901984 442388573 /nfs/dbraw/zinc/38/85/73/442388573.db2.gz XOJCSNUUCRNBRX-GOEBONIOSA-N 2 0 348.516 1.984 10 0 EDAERP CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000194027893 442833028 /nfs/dbraw/zinc/83/30/28/442833028.db2.gz JKJRXLLCHDKKSK-LSDHHAIUSA-N 2 0 347.459 1.661 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184581803 443043549 /nfs/dbraw/zinc/04/35/49/443043549.db2.gz CVJSMLCYPJOSRA-MSOLQXFVSA-N 2 0 330.476 1.186 10 0 EDAERP [NH3+]CCNc1ccc(S(=O)(=O)c2ccc(NCC[NH3+])cc2)cc1 ZINC000584604042 448583528 /nfs/dbraw/zinc/58/35/28/448583528.db2.gz GYLKTSGFUSFUAK-UHFFFAOYSA-N 2 0 334.445 1.261 10 0 EDAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000638087363 451252622 /nfs/dbraw/zinc/25/26/22/451252622.db2.gz RPQFSOSCVCKOFT-QZTJIDSGSA-N 2 0 330.476 1.142 10 0 EDAERP COC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638303463 451417496 /nfs/dbraw/zinc/41/74/96/451417496.db2.gz YMICXRDLWAXSLR-QFBILLFUSA-N 2 0 333.476 1.782 10 0 EDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000638834323 451705354 /nfs/dbraw/zinc/70/53/54/451705354.db2.gz FHRBNVAPJOAKOG-DOTOQJQBSA-N 2 0 331.460 1.379 10 0 EDAERP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2OCC[C@H]2C[NH3+])n1 ZINC000888078272 590935477 /nfs/dbraw/zinc/93/54/77/590935477.db2.gz FPPPTPVDTGJENW-WFASDCNBSA-N 2 0 332.404 1.713 10 0 EDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000111493303 138308646 /nfs/dbraw/zinc/30/86/46/138308646.db2.gz YVOUOWSCUFKEDA-JKSUJKDBSA-N 2 0 340.512 1.517 10 0 EDAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nnnn1C ZINC000189834100 237299433 /nfs/dbraw/zinc/29/94/33/237299433.db2.gz AAWQQAYNTBDMCY-YOEHRIQHSA-N 2 0 344.463 1.306 10 0 EDAERP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072409770 203217400 /nfs/dbraw/zinc/21/74/00/203217400.db2.gz SMXOIDZIYMDNTD-HNNXBMFYSA-N 2 0 333.480 1.265 10 0 EDAERP C[NH+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000111606390 220169427 /nfs/dbraw/zinc/16/94/27/220169427.db2.gz MOMONYVLRJQQIA-LJQANCHMSA-N 2 0 344.503 1.751 10 0 EDAERP C[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246678994 139117354 /nfs/dbraw/zinc/11/73/54/139117354.db2.gz DCFWAMHABMYZDK-VVLHAWIVSA-N 2 0 339.524 1.799 10 0 EDAERP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)O1 ZINC000261910038 139236205 /nfs/dbraw/zinc/23/62/05/139236205.db2.gz XMFPZPKOKURYAE-KSZLIROESA-N 2 0 331.460 1.664 10 0 EDAERP COCCN1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000174352758 207015024 /nfs/dbraw/zinc/01/50/24/207015024.db2.gz UNUWTEYUYOPLRO-KRWDZBQOSA-N 2 0 342.528 1.857 10 0 EDAERP CN1CC[C@@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000116278152 273910251 /nfs/dbraw/zinc/91/02/51/273910251.db2.gz DGYGHRULHCGOGV-QZTJIDSGSA-N 2 0 331.460 1.252 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2([NH+](C)C)CCCCC2)cn1 ZINC000261987316 282042137 /nfs/dbraw/zinc/04/21/37/282042137.db2.gz SIFZLNHSMTXJPE-CVEARBPZSA-N 2 0 333.480 1.104 10 0 EDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000248566047 290096416 /nfs/dbraw/zinc/09/64/16/290096416.db2.gz BRMFZFOLHTXNOT-ULQDDVLXSA-N 2 0 340.512 1.205 10 0 EDAERP Cc1cccc(CNC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000171929643 442391907 /nfs/dbraw/zinc/39/19/07/442391907.db2.gz TVPHVIKJPSRVMZ-QGZVFWFLSA-N 2 0 347.503 1.636 10 0 EDAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)C(C)C ZINC000186355003 442518095 /nfs/dbraw/zinc/51/80/95/442518095.db2.gz RAJRIQSFDZHOJC-IAGOWNOFSA-N 2 0 342.528 1.592 10 0 EDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000181300753 442689338 /nfs/dbraw/zinc/68/93/38/442689338.db2.gz ALZOVUNHMKVTFS-NVXWUHKLSA-N 2 0 334.464 1.137 10 0 EDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190092089 443056466 /nfs/dbraw/zinc/05/64/66/443056466.db2.gz CJDXXSNTMKWJQC-RHSMWYFYSA-N 2 0 344.459 1.382 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184999147 443114313 /nfs/dbraw/zinc/11/43/13/443114313.db2.gz CYGPGACEVMOMMU-AWEZNQCLSA-N 2 0 347.463 1.600 10 0 EDAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000190926151 443210725 /nfs/dbraw/zinc/21/07/25/443210725.db2.gz SWJJYVXTFMZFQO-KLHKWILBSA-N 2 0 326.481 1.744 10 0 EDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390912853 447506435 /nfs/dbraw/zinc/50/64/35/447506435.db2.gz YKDQIHQORYHVLO-BPQIPLTHSA-N 2 0 331.460 1.249 10 0 EDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391040337 447509435 /nfs/dbraw/zinc/50/94/35/447509435.db2.gz DIIPECHYGIXZIR-SFHVURJKSA-N 2 0 332.492 1.294 10 0 EDAERP C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000397983674 447554753 /nfs/dbraw/zinc/55/47/53/447554753.db2.gz NNZQDJUONYHRAL-FUHWJXTLSA-N 2 0 344.503 1.449 10 0 EDAERP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3cncc(Br)c3)C2)CC1 ZINC000167451944 534569085 /nfs/dbraw/zinc/56/90/85/534569085.db2.gz OYHVCLNJJIBAHX-OAHLLOKOSA-N 2 0 339.281 1.842 10 0 EDAERP CC1CC[NH+](CCCCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117032638 535277762 /nfs/dbraw/zinc/27/77/62/535277762.db2.gz PKVHWDMAZDHWIO-QGZVFWFLSA-N 2 0 340.512 1.471 10 0 EDAERP C(=C\CN1CC[NH+]2CCCC[C@H]2C1)\CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255839763 539907847 /nfs/dbraw/zinc/90/78/47/539907847.db2.gz AMJUNWGTNDECMS-GGJLBNBESA-N 2 0 332.536 1.883 10 0 EDAERP C[C@H](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000182657235 540132985 /nfs/dbraw/zinc/13/29/85/540132985.db2.gz JELIFJAXJUKQGL-SJORKVTESA-N 2 0 340.512 1.397 10 0 EDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000248087975 283123876 /nfs/dbraw/zinc/12/38/76/283123876.db2.gz SZCCNSNGTFTEJW-OKZBNKHCSA-N 2 0 328.460 1.921 10 0 EDAERP CCC[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+](C)C ZINC000158387857 205321671 /nfs/dbraw/zinc/32/16/71/205321671.db2.gz USMAVIKXIAJWNU-QGZVFWFLSA-N 2 0 347.507 1.522 10 0 EDAERP Cn1cc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000158413594 206188726 /nfs/dbraw/zinc/18/87/26/206188726.db2.gz HNZRMDSYKCSWJX-IRXDYDNUSA-N 2 0 342.491 1.823 10 0 EDAERP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000246519151 139111688 /nfs/dbraw/zinc/11/16/88/139111688.db2.gz RDMORWYKEKDSRO-YESZJQIVSA-N 2 0 325.497 1.581 10 0 EDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000246995350 139130340 /nfs/dbraw/zinc/13/03/40/139130340.db2.gz FIBCQZQOFSLAJB-ZBFHGGJFSA-N 2 0 340.431 1.645 10 0 EDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCc2sccc2C1 ZINC000246995926 139130354 /nfs/dbraw/zinc/13/03/54/139130354.db2.gz FJDZNKPIGOTWRS-HOCLYGCPSA-N 2 0 348.516 1.984 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000176626014 207244136 /nfs/dbraw/zinc/24/41/36/207244136.db2.gz MKLJILABBCXDKZ-ZACQAIPSSA-N 2 0 340.512 1.611 10 0 EDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000111826849 285035324 /nfs/dbraw/zinc/03/53/24/285035324.db2.gz VYHDVVBVXKRRPW-CVEARBPZSA-N 2 0 328.501 1.373 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C[C@@H]1CC ZINC000117037455 221026902 /nfs/dbraw/zinc/02/69/02/221026902.db2.gz FBZHUUAOEIBHTI-SJORKVTESA-N 2 0 340.512 1.613 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000333679465 141356029 /nfs/dbraw/zinc/35/60/29/141356029.db2.gz OOONEACIGLMROE-XYPHTWIQSA-N 2 0 332.448 1.144 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000262410506 289188732 /nfs/dbraw/zinc/18/87/32/289188732.db2.gz ZFZCHYOAEUDJMX-FGTMMUONSA-N 2 0 341.459 1.142 10 0 EDAERP CCNC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862917 441294312 /nfs/dbraw/zinc/29/43/12/441294312.db2.gz QVBZLOCOLKKYNJ-LJQANCHMSA-N 2 0 347.503 1.890 10 0 EDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000157286369 442567938 /nfs/dbraw/zinc/56/79/38/442567938.db2.gz JGLWGHMAVZXZBB-IAGOWNOFSA-N 2 0 340.512 1.517 10 0 EDAERP CN1CCO[C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246529642 442790010 /nfs/dbraw/zinc/79/00/10/442790010.db2.gz WIXOYTOMKVFCFQ-JKSUJKDBSA-N 2 0 338.427 1.058 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000248507612 442898729 /nfs/dbraw/zinc/89/87/29/442898729.db2.gz 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226050312 /nfs/dbraw/zinc/05/03/12/226050312.db2.gz TVVFOXKCHNEKQM-UHFFFAOYSA-N 2 0 329.242 1.532 10 0 EDAERP COCC[N@H+](CCO)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000164684291 226093145 /nfs/dbraw/zinc/09/31/45/226093145.db2.gz MLIYZCROBAECJV-CQSZACIVSA-N 2 0 331.254 1.780 10 0 EDAERP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000193121806 272988535 /nfs/dbraw/zinc/98/85/35/272988535.db2.gz CAMKEHVOPURWKQ-KRWDZBQOSA-N 2 0 340.512 1.253 10 0 EDAERP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862480 441294030 /nfs/dbraw/zinc/29/40/30/441294030.db2.gz JMSZAMVGFGLMOU-HZPDHXFCSA-N 2 0 327.513 1.562 10 0 EDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCOCC2 ZINC000186269915 442500743 /nfs/dbraw/zinc/50/07/43/442500743.db2.gz BASMLFCAMGIVRE-YESZJQIVSA-N 2 0 326.481 1.397 10 0 EDAERP CCOCC[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@@H]1CC ZINC000179909822 442518128 /nfs/dbraw/zinc/51/81/28/442518128.db2.gz QWLLRVGGXRRIGT-AWEZNQCLSA-N 2 0 345.451 1.182 10 0 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ZINC000262706564 535652799 /nfs/dbraw/zinc/65/27/99/535652799.db2.gz MNGVYBWAOONMIH-NVXWUHKLSA-N 2 0 327.513 1.957 10 0 EDAERP CC[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000247039325 536120938 /nfs/dbraw/zinc/12/09/38/536120938.db2.gz IVIBRGROTUOHHI-DLBZAZTESA-N 2 0 340.512 1.613 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261729452 536943678 /nfs/dbraw/zinc/94/36/78/536943678.db2.gz HMNUKAVUFBJPMU-DZOHQFGASA-N 2 0 331.460 1.774 10 0 EDAERP CC[C@]1(C(=O)c2c(Br)cnn2CC[NH+](C)C)CCC[NH2+]1 ZINC000164658846 529387532 /nfs/dbraw/zinc/38/75/32/529387532.db2.gz GGVPLMKROWRMIR-CQSZACIVSA-N 2 0 343.269 1.922 10 0 EDAERP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000091476067 218012401 /nfs/dbraw/zinc/01/24/01/218012401.db2.gz WDEASYFUKWIYHH-CVEARBPZSA-N 2 0 348.472 1.382 10 0 EDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000252443870 139204600 /nfs/dbraw/zinc/20/46/00/139204600.db2.gz QHWWLFUDXMFLAQ-APWZRJJASA-N 2 0 342.487 1.923 10 0 EDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117477597 221067960 /nfs/dbraw/zinc/06/79/60/221067960.db2.gz BWYAKUQASRYFJV-HZPDHXFCSA-N 2 0 328.501 1.469 10 0 EDAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000333724513 141366834 /nfs/dbraw/zinc/36/68/34/141366834.db2.gz VDCMZLWHWQBSGQ-ATLSCFEFSA-N 2 0 344.459 1.002 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245480159 279325675 /nfs/dbraw/zinc/32/56/75/279325675.db2.gz XBZAVTSQXXEFGL-IRXDYDNUSA-N 2 0 340.512 1.469 10 0 EDAERP C[NH+](C)CC[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000116567396 441830797 /nfs/dbraw/zinc/83/07/97/441830797.db2.gz HTCBTYIEMKRDTK-HOTGVXAUSA-N 2 0 342.528 1.499 10 0 EDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000179853605 442512022 /nfs/dbraw/zinc/51/20/22/442512022.db2.gz OHNAZKCSBMJQHC-KXBFYZLASA-N 2 0 345.487 1.425 10 0 EDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000249782209 443004636 /nfs/dbraw/zinc/00/46/36/443004636.db2.gz QCJPDIIRBWOLKJ-IXDOHACOSA-N 2 0 340.512 1.253 10 0 EDAERP CC[C@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000184697459 443062138 /nfs/dbraw/zinc/06/21/38/443062138.db2.gz FLJYYIDYXQGCQS-SJORKVTESA-N 2 0 342.528 1.592 10 0 EDAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499303 321294105 /nfs/dbraw/zinc/29/41/05/321294105.db2.gz FYJBEFJFNRFGQC-ICSRJNTNSA-N 3 0 330.520 1.782 10 0 EDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390905117 447507182 /nfs/dbraw/zinc/50/71/82/447507182.db2.gz XUHFKWFKPZQJTK-YTQUADARSA-N 2 0 345.487 1.782 10 0 EDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107816 451275258 /nfs/dbraw/zinc/27/52/58/451275258.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 2 0 332.492 1.388 10 0 EDAERP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638803181 451695555 /nfs/dbraw/zinc/69/55/55/451695555.db2.gz HEDDIJIYIZEKFP-IEBWSBKVSA-N 2 0 331.460 1.393 10 0 EDAERP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000174957067 529360702 /nfs/dbraw/zinc/36/07/02/529360702.db2.gz LYSNNOSVSQDAMV-QGZVFWFLSA-N 2 0 325.497 1.676 10 0 EDAERP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262316610 535539002 /nfs/dbraw/zinc/53/90/02/535539002.db2.gz DPWNFEBWCNWRKZ-AWEZNQCLSA-N 2 0 346.475 1.552 10 0 EDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261786207 303425045 /nfs/dbraw/zinc/42/50/45/303425045.db2.gz LNHWCRIPAKZTJP-KBAYOESNSA-N 2 0 330.476 1.927 10 0 EDAERP C[NH+](C)[C@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072418014 216205988 /nfs/dbraw/zinc/20/59/88/216205988.db2.gz KXGWULQHKQMINQ-CYBMUJFWSA-N 2 0 332.477 1.523 10 0 EDAERP C[C@]1(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCCC[NH2+]1 ZINC000237571929 139054373 /nfs/dbraw/zinc/05/43/73/139054373.db2.gz AVLSJVROGMLUTD-LJQANCHMSA-N 2 0 331.460 1.667 10 0 EDAERP CCCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000194956453 278695881 /nfs/dbraw/zinc/69/58/81/278695881.db2.gz HDHPNNIQUTXDSZ-KRWDZBQOSA-N 2 0 340.512 1.397 10 0 EDAERP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000104778570 441206773 /nfs/dbraw/zinc/20/67/73/441206773.db2.gz HPFAUSROHXMVQZ-ZWKOTPCHSA-N 2 0 348.491 1.699 10 0 EDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000193292719 442729987 /nfs/dbraw/zinc/72/99/87/442729987.db2.gz VSKLRLZFTFOEQR-IAGOWNOFSA-N 2 0 342.528 1.619 10 0 EDAERP CN1CCO[C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246529629 442789997 /nfs/dbraw/zinc/78/99/97/442789997.db2.gz WIXOYTOMKVFCFQ-HZPDHXFCSA-N 2 0 338.427 1.058 10 0 EDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000185049329 443125702 /nfs/dbraw/zinc/12/57/02/443125702.db2.gz YDXWYDSLVMMRKL-HZPDHXFCSA-N 2 0 342.528 1.451 10 0 EDAERP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616634474 450456227 /nfs/dbraw/zinc/45/62/27/450456227.db2.gz TXBIREXSWMKTBA-HNNXBMFYSA-N 2 0 334.464 1.963 10 0 EDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835514 451705444 /nfs/dbraw/zinc/70/54/44/451705444.db2.gz MALUPAJDFNYQCH-SJLPKXTDSA-N 2 0 345.487 1.626 10 0 EDAERP [NH3+]CCN(CC[NH3+])c1ncc(Br)cc1Br ZINC000164063532 534623749 /nfs/dbraw/zinc/62/37/49/534623749.db2.gz JRLVFANABHZVGW-UHFFFAOYSA-N 2 0 338.047 1.330 10 0 EDAERP [NH3+]C[C@@H](c1cncc(Br)c1)N1CC[NH+](C2CC2)CC1 ZINC000166113597 534677902 /nfs/dbraw/zinc/67/79/02/534677902.db2.gz TXHBEEMGHATZLI-AWEZNQCLSA-N 2 0 325.254 1.624 10 0 EDAERP CC(C)[C@@H](C[NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164294215 528444916 /nfs/dbraw/zinc/44/49/16/528444916.db2.gz XZMZDOPJEQAZHC-SNVBAGLBSA-N 2 0 331.258 1.621 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175034628 529407080 /nfs/dbraw/zinc/40/70/80/529407080.db2.gz QWPNILGPUCVPJM-QZTJIDSGSA-N 2 0 336.524 1.534 10 0 EDAERP CC[NH+]1CCN(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000101629551 219147993 /nfs/dbraw/zinc/14/79/93/219147993.db2.gz MQMJZYSIORTXJQ-SFHVURJKSA-N 2 0 332.492 1.433 10 0 EDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042782435 213534159 /nfs/dbraw/zinc/53/41/59/213534159.db2.gz CXVFCIONEZQYBW-UHFFFAOYSA-N 2 0 333.523 1.458 10 0 EDAERP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000496805905 299310474 /nfs/dbraw/zinc/31/04/74/299310474.db2.gz XNGYQGCBOQOEMO-SOUVJXGZSA-N 2 0 327.469 1.600 10 0 EDAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C2)n1 ZINC000245863016 139087842 /nfs/dbraw/zinc/08/78/42/139087842.db2.gz JOCWLEMHMGEXTJ-DLBZAZTESA-N 2 0 349.475 1.680 10 0 EDAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262499636 139282705 /nfs/dbraw/zinc/28/27/05/139282705.db2.gz KMRYSVCELXEMJU-ROUUACIJSA-N 2 0 331.460 1.080 10 0 EDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000262704317 139297553 /nfs/dbraw/zinc/29/75/53/139297553.db2.gz KYFHDEKDGJRDEI-MRXNPFEDSA-N 2 0 340.512 1.201 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000117025551 221023609 /nfs/dbraw/zinc/02/36/09/221023609.db2.gz SLIRTKSQFHKUJA-OAHLLOKOSA-N 2 0 326.485 1.223 10 0 EDAERP Cn1cc([C@H]2CC[N@H+](CCC[NH+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000158413437 225008820 /nfs/dbraw/zinc/00/88/20/225008820.db2.gz HNZRMDSYKCSWJX-CALCHBBNSA-N 2 0 342.491 1.823 10 0 EDAERP C[NH+](C)CCn1ncc(Br)c1C(=O)CC1([NH3+])CCC1 ZINC000164502928 226077765 /nfs/dbraw/zinc/07/77/65/226077765.db2.gz PLGCQDNGIGICIP-UHFFFAOYSA-N 2 0 329.242 1.661 10 0 EDAERP CC(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117029352 278868142 /nfs/dbraw/zinc/86/81/42/278868142.db2.gz SXGSDKLZVOLHPQ-INIZCTEOSA-N 2 0 326.485 1.079 10 0 EDAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000174234328 279359212 /nfs/dbraw/zinc/35/92/12/279359212.db2.gz WXZHUGIFYWQLTE-IRXDYDNUSA-N 2 0 339.528 1.044 10 0 EDAERP CC(=O)NCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862951 441294330 /nfs/dbraw/zinc/29/43/30/441294330.db2.gz XPHXBFHVAAHDCG-HXUWFJFHSA-N 2 0 347.503 1.890 10 0 EDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000116788778 441844904 /nfs/dbraw/zinc/84/49/04/441844904.db2.gz CLOGRYHHWLLDNM-MSOLQXFVSA-N 2 0 331.460 1.440 10 0 EDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000177399759 442337305 /nfs/dbraw/zinc/33/73/05/442337305.db2.gz ARBKIBYWZLXDGZ-INIZCTEOSA-N 2 0 326.485 1.225 10 0 EDAERP CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C12CCOCC2 ZINC000186322537 442511177 /nfs/dbraw/zinc/51/11/77/442511177.db2.gz CCSHJVIXZDDOJU-ZWKOTPCHSA-N 2 0 339.524 1.578 10 0 EDAERP CC[C@@H]1CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000181943818 442722980 /nfs/dbraw/zinc/72/29/80/442722980.db2.gz XLBHYBRLDBTCIE-OWCLPIDISA-N 2 0 342.528 1.449 10 0 EDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000248408548 442890314 /nfs/dbraw/zinc/89/03/14/442890314.db2.gz VPOHXMPKUXQJIQ-SJORKVTESA-N 2 0 346.475 1.721 10 0 EDAERP CC[NH+](CC)CCNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190678950 443163297 /nfs/dbraw/zinc/16/32/97/443163297.db2.gz KUZSKCZDIQHDIT-GOSISDBHSA-N 2 0 347.507 1.887 10 0 EDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000166140322 529970414 /nfs/dbraw/zinc/97/04/14/529970414.db2.gz REMNPROKANRZAL-FZMZJTMJSA-N 2 0 327.270 1.727 10 0 EDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000246900842 139126329 /nfs/dbraw/zinc/12/63/29/139126329.db2.gz CKSBJHPTTFYYPG-ZWKOTPCHSA-N 2 0 331.460 1.488 10 0 EDAERP C[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C[NH3+])C1 ZINC000261864770 139232569 /nfs/dbraw/zinc/23/25/69/139232569.db2.gz RQEIBQPMKSPBSW-GDBMZVCRSA-N 2 0 331.464 1.033 10 0 EDAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[N@H+](C)CC23CCCCC3)cn1 ZINC000262375575 139274209 /nfs/dbraw/zinc/27/42/09/139274209.db2.gz WOTHWIUUPVRAKJ-SJORKVTESA-N 2 0 345.491 1.200 10 0 EDAERP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299766930 258081702 /nfs/dbraw/zinc/08/17/02/258081702.db2.gz DSSQHWXHKQBYFN-ZBFHGGJFSA-N 2 0 337.851 1.143 10 0 EDAERP C[C@@H]1C[NH+](CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000261773348 288151452 /nfs/dbraw/zinc/15/14/52/288151452.db2.gz OPOPIIHVOUUSOS-XYVMCAHJSA-N 2 0 337.508 1.852 10 0 EDAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105862174 441293212 /nfs/dbraw/zinc/29/32/12/441293212.db2.gz KLIOYMRQKCZLQF-HNNXBMFYSA-N 2 0 334.460 1.998 10 0 EDAERP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000113447366 441609360 /nfs/dbraw/zinc/60/93/60/441609360.db2.gz TXPJLKMGSUZDAA-IEBWSBKVSA-N 2 0 346.519 1.159 10 0 EDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000246689686 442803757 /nfs/dbraw/zinc/80/37/57/442803757.db2.gz AESPLCUELRRDDR-IRXDYDNUSA-N 2 0 334.439 1.918 10 0 EDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)(F)C(F)F)CC1 ZINC000189180772 442892884 /nfs/dbraw/zinc/89/28/84/442892884.db2.gz LVNUDGPIKMZGNA-LBPRGKRZSA-N 2 0 344.393 1.928 10 0 EDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CCOC)C12CCOCC2 ZINC000249036704 442945989 /nfs/dbraw/zinc/94/59/89/442945989.db2.gz UFJJKQRFTBAKAU-BRWVUGGUSA-N 2 0 326.481 1.661 10 0 EDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000194940719 442970342 /nfs/dbraw/zinc/97/03/42/442970342.db2.gz JSENSCIMUSNQJC-KRWDZBQOSA-N 2 0 340.512 1.254 10 0 EDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000185451582 443201899 /nfs/dbraw/zinc/20/18/99/443201899.db2.gz JEAXZZYHPOGQNI-JKSUJKDBSA-N 2 0 348.491 1.345 10 0 EDAERP COC[C@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638303461 451417585 /nfs/dbraw/zinc/41/75/85/451417585.db2.gz YMICXRDLWAXSLR-APWZRJJASA-N 2 0 333.476 1.782 10 0 EDAERP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638850863 451710765 /nfs/dbraw/zinc/71/07/65/451710765.db2.gz HSQMUHIRMWQZGH-KZNAEPCWSA-N 2 0 331.460 1.270 10 0 EDAERP O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638852222 451711386 /nfs/dbraw/zinc/71/13/86/451711386.db2.gz VWGKZQWJGIFFIR-OALUTQOASA-N 2 0 345.487 1.783 10 0 EDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164511789 534130879 /nfs/dbraw/zinc/13/08/79/534130879.db2.gz FMVWSGNXJCRKTL-VHSXEESVSA-N 2 0 329.242 1.388 10 0 EDAERP CC(C)C[C@@H]([NH3+])C(=O)c1c(Br)cnn1CC[NH+](C)C ZINC000164119303 528345404 /nfs/dbraw/zinc/34/54/04/528345404.db2.gz HMSCRTMMIWFFDK-LLVKDONJSA-N 2 0 331.258 1.763 10 0 EDAERP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174856085 528813179 /nfs/dbraw/zinc/81/31/79/528813179.db2.gz INFOISLWGFEJEX-IBGZPJMESA-N 2 0 347.503 1.888 10 0 EDAERP CCC[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+](C)C ZINC000158387701 528839664 /nfs/dbraw/zinc/83/96/64/528839664.db2.gz USMAVIKXIAJWNU-KRWDZBQOSA-N 2 0 347.507 1.522 10 0 EDAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1CC ZINC000247093550 535596315 /nfs/dbraw/zinc/59/63/15/535596315.db2.gz MDECEKZBRLQKDW-HOTGVXAUSA-N 2 0 340.512 1.611 10 0 EDAERP