smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCNS(=O)(=O)c1ccc(CC[NH3+])s1)C1CC1 ZINC000062010807 184201068 /nfs/dbraw/zinc/20/10/68/184201068.db2.gz OEHARTJRKQNKAY-UHFFFAOYSA-N 2 0 303.453 0.622 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247221600 285010554 /nfs/dbraw/zinc/01/05/54/285010554.db2.gz MIWPVTGDVOXECP-HOCLYGCPSA-N 2 0 324.469 0.975 10 0 DCAERP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000333749232 252759330 /nfs/dbraw/zinc/75/93/30/252759330.db2.gz YTLFNIDGBKYYEC-BMFZPTHFSA-N 2 0 318.421 0.883 10 0 DCAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283415 395772862 /nfs/dbraw/zinc/77/28/62/395772862.db2.gz FOHKFAIIQUIRNO-OLZOCXBDSA-N 2 0 322.453 0.315 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195146367 395817674 /nfs/dbraw/zinc/81/76/74/395817674.db2.gz RXVNGDMUODCXEP-HNNXBMFYSA-N 2 0 312.458 0.881 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117031558 395850055 /nfs/dbraw/zinc/85/00/55/395850055.db2.gz FVEVBMZAZYFUOU-ZIAGYGMSSA-N 2 0 300.447 0.689 10 0 DCAERP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247054257 395964624 /nfs/dbraw/zinc/96/46/24/395964624.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 2 0 323.481 0.628 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247486259 395974000 /nfs/dbraw/zinc/97/40/00/395974000.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 2 0 324.469 0.881 10 0 DCAERP O=C(CCN1CCO[C@@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225367 396112807 /nfs/dbraw/zinc/11/28/07/396112807.db2.gz UYEANECROMEENC-CQSZACIVSA-N 2 0 309.435 0.943 10 0 DCAERP COc1ccccc1-n1nccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263279445 396211264 /nfs/dbraw/zinc/21/12/64/396211264.db2.gz TZLVSMBPKGNOMV-WFASDCNBSA-N 2 0 302.378 0.551 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000246446053 287083413 /nfs/dbraw/zinc/08/34/13/287083413.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 2 0 314.474 0.936 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000111856655 415695384 /nfs/dbraw/zinc/69/53/84/415695384.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 2 0 312.458 0.879 10 0 DCAERP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810504 415744228 /nfs/dbraw/zinc/74/42/28/415744228.db2.gz POOVKPXGPNEXJX-CQSZACIVSA-N 2 0 311.474 0.454 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000333831588 415745118 /nfs/dbraw/zinc/74/51/18/415745118.db2.gz MPPKUROSUPORLC-JKSUJKDBSA-N 2 0 324.469 0.882 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000333831587 415745814 /nfs/dbraw/zinc/74/58/14/415745814.db2.gz MPPKUROSUPORLC-HZPDHXFCSA-N 2 0 324.469 0.882 10 0 DCAERP CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333939155 415767116 /nfs/dbraw/zinc/76/71/16/415767116.db2.gz MZGLLENCQLXLIJ-KKUMJFAQSA-N 2 0 312.458 0.471 10 0 DCAERP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000173939393 416070688 /nfs/dbraw/zinc/07/06/88/416070688.db2.gz NTPTYHSKLIGXDY-CYBMUJFWSA-N 2 0 306.414 0.757 10 0 DCAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176003484 416117679 /nfs/dbraw/zinc/11/76/79/416117679.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 2 0 310.486 0.955 10 0 DCAERP CC[N@H+](CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1)C1CC1 ZINC000359260400 416317452 /nfs/dbraw/zinc/31/74/52/416317452.db2.gz IEVGHRILUBMYSG-UHFFFAOYSA-N 2 0 322.453 0.355 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262540364 416336910 /nfs/dbraw/zinc/33/69/10/416336910.db2.gz QYIFJAVFXAJQJK-HVOFVXBASA-N 2 0 307.438 0.872 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559462041 416812718 /nfs/dbraw/zinc/81/27/18/416812718.db2.gz GUTPIZPSVFBPIM-UHFFFAOYSA-N 2 0 312.458 0.389 10 0 DCAERP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000638109470 417335331 /nfs/dbraw/zinc/33/53/31/417335331.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 2 0 316.449 0.752 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000194148217 261145162 /nfs/dbraw/zinc/14/51/62/261145162.db2.gz CIMITASLMFEAFL-HNNXBMFYSA-N 2 0 312.458 0.882 10 0 DCAERP CC1(C)C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000261756000 278330962 /nfs/dbraw/zinc/33/09/62/278330962.db2.gz LKOOQJSVUZDLLR-SECBINFHSA-N 2 0 324.347 0.824 10 0 DCAERP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333644730 295245172 /nfs/dbraw/zinc/24/51/72/295245172.db2.gz IVTUMSLCPDLMES-GPANFISMSA-N 2 0 323.485 0.726 10 0 DCAERP Cn1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333622753 302907820 /nfs/dbraw/zinc/90/78/20/302907820.db2.gz UPIIMSBAIKXJIQ-CXAGYDPISA-N 2 0 317.437 0.855 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000570950874 333171499 /nfs/dbraw/zinc/17/14/99/333171499.db2.gz KLNDLZJFSPEPOR-VNHYZAJKSA-N 2 0 320.437 0.034 10 0 DCAERP CN1CC[NH2+]C[C@@H]1[C@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584651627 337380969 /nfs/dbraw/zinc/38/09/69/337380969.db2.gz JNUFTHDWRCDGDE-IAGOWNOFSA-N 2 0 306.429 0.718 10 0 DCAERP C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000722257638 660510871 /nfs/dbraw/zinc/51/08/71/660510871.db2.gz QIUAIZCOCUVMNL-ZIAGYGMSSA-N 2 0 303.472 0.780 10 0 DCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000162197283 658088586 /nfs/dbraw/zinc/08/85/86/658088586.db2.gz NHYJKESUSGVFDP-HNNXBMFYSA-N 2 0 309.454 0.920 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000702432248 666956023 /nfs/dbraw/zinc/95/60/23/666956023.db2.gz VOYMYBPHBVTMNL-CVEARBPZSA-N 2 0 304.438 0.656 10 0 DCAERP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000405094994 774148871 /nfs/dbraw/zinc/14/88/71/774148871.db2.gz ADIIYVRFNWQFKD-HIFRSBDPSA-N 2 0 323.462 0.931 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000176579048 282124065 /nfs/dbraw/zinc/12/40/65/282124065.db2.gz SYWWGRFFXBAWEE-QLFBSQMISA-N 2 0 312.458 0.831 10 0 DCAERP C[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262520065 530049477 /nfs/dbraw/zinc/04/94/77/530049477.db2.gz NYUANYJAFZLQFG-GRDNDAEWSA-N 2 0 309.454 0.977 10 0 DCAERP [NH3+]CC1CC[NH+](Cc2cc(=O)[nH]c(-c3cnccn3)n2)CC1 ZINC000073696141 191343320 /nfs/dbraw/zinc/34/33/20/191343320.db2.gz QYLZVFANWMPJSK-UHFFFAOYSA-N 2 0 300.366 0.810 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236838911 202032279 /nfs/dbraw/zinc/03/22/79/202032279.db2.gz PMPDOWOWARXKOZ-HUUCEWRRSA-N 2 0 324.469 0.435 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccco2)CC1 ZINC000105862128 194149011 /nfs/dbraw/zinc/14/90/11/194149011.db2.gz FDUQQMROMJWEIS-CQSZACIVSA-N 2 0 323.437 0.920 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262060702 220464205 /nfs/dbraw/zinc/46/42/05/220464205.db2.gz AVDISPJCMHHCDT-XZDPQHSOSA-N 2 0 317.437 0.418 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246392451 395948926 /nfs/dbraw/zinc/94/89/26/395948926.db2.gz IRWZEZJOEJMHEF-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246755609 395956671 /nfs/dbraw/zinc/95/66/71/395956671.db2.gz AHSDHNYZPJZMQT-XHSDSOJGSA-N 2 0 324.469 0.975 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247309325 395971505 /nfs/dbraw/zinc/97/15/05/395971505.db2.gz NXQDKLBXTFTMLT-OAGGEKHMSA-N 2 0 323.485 0.500 10 0 DCAERP C[NH2+][C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000262356911 396129219 /nfs/dbraw/zinc/12/92/19/396129219.db2.gz JUHGQAPRKYSBKM-OAHLLOKOSA-N 2 0 305.426 0.767 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000262429697 396139106 /nfs/dbraw/zinc/13/91/06/396139106.db2.gz FSLMVJTZNJKWQQ-GHJWDPDVSA-N 2 0 304.394 0.758 10 0 DCAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261938408 396081804 /nfs/dbraw/zinc/08/18/04/396081804.db2.gz MNJARWUEBCCMHN-XDNAFOTISA-N 2 0 324.513 0.759 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000263266825 396210456 /nfs/dbraw/zinc/21/04/56/396210456.db2.gz VNHSWFCUQJPAIS-HOCLYGCPSA-N 2 0 324.469 0.467 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188974244 396389110 /nfs/dbraw/zinc/38/91/10/396389110.db2.gz FMSRSOFLKQRUCC-GFCCVEGCSA-N 2 0 305.426 0.906 10 0 DCAERP CC(C)[NH2+]CCN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000193437922 396451492 /nfs/dbraw/zinc/45/14/92/396451492.db2.gz YMNMGUGCFMEDDZ-QGZVFWFLSA-N 2 0 312.502 0.711 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561013874 396628317 /nfs/dbraw/zinc/62/83/17/396628317.db2.gz SHLZECMCNFXBKI-ZDUSSCGKSA-N 2 0 300.447 0.243 10 0 DCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000333727155 396931094 /nfs/dbraw/zinc/93/10/94/396931094.db2.gz VONQMPKUHHIRDE-UGUYLWEFSA-N 2 0 324.469 0.879 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948903 397004284 /nfs/dbraw/zinc/00/42/84/397004284.db2.gz FTJSSEBVAZNVHP-KGLIPLIRSA-N 2 0 322.453 0.282 10 0 DCAERP C[C@H](Cn1cccn1)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000069453233 158045588 /nfs/dbraw/zinc/04/55/88/158045588.db2.gz ASFPMJDDRMGDRX-CYBMUJFWSA-N 2 0 305.426 0.604 10 0 DCAERP CC(C)c1nc2c(n1C)CCN(CC(=O)N1CCN(C)CC1)C2 ZINC000121035504 158206701 /nfs/dbraw/zinc/20/67/01/158206701.db2.gz FDFQTSQTNXGNNK-UHFFFAOYSA-N 2 0 319.453 0.676 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000171498036 158383629 /nfs/dbraw/zinc/38/36/29/158383629.db2.gz CZLAICVFUQYYLC-GFCCVEGCSA-N 2 0 306.414 0.417 10 0 DCAERP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262683521 158834418 /nfs/dbraw/zinc/83/44/18/158834418.db2.gz ZACVKDIQMQRODG-IMJJTQAJSA-N 2 0 309.454 0.870 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000249781517 287118064 /nfs/dbraw/zinc/11/80/64/287118064.db2.gz LGQLCBQHXHJPQL-GXTWGEPZSA-N 2 0 303.472 0.588 10 0 DCAERP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000262100690 287165045 /nfs/dbraw/zinc/16/50/45/287165045.db2.gz UYOLDPRRMAOWRD-BPLDGKMQSA-N 2 0 313.442 0.044 10 0 DCAERP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000105283353 415631906 /nfs/dbraw/zinc/63/19/06/415631906.db2.gz ANHOEXBSNKRTHO-HNNXBMFYSA-N 2 0 312.458 0.833 10 0 DCAERP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000333415533 415642099 /nfs/dbraw/zinc/64/20/99/415642099.db2.gz RVFQQNIGWGPAJY-AWEZNQCLSA-N 2 0 310.442 0.492 10 0 DCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333657029 415709441 /nfs/dbraw/zinc/70/94/41/415709441.db2.gz KXBNHYCTBAQUKX-GOEBONIOSA-N 2 0 324.469 0.738 10 0 DCAERP CC[NH+]1CCN(CCCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183512800 416243819 /nfs/dbraw/zinc/24/38/19/416243819.db2.gz AXOBLIKRNIFWHA-UHFFFAOYSA-N 2 0 319.453 0.905 10 0 DCAERP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000190678872 416281069 /nfs/dbraw/zinc/28/10/69/416281069.db2.gz VYMBRUQXTXFONV-UHFFFAOYSA-N 2 0 303.472 0.730 10 0 DCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000237005759 416328176 /nfs/dbraw/zinc/32/81/76/416328176.db2.gz MUYWQDSGXJQVFI-MJBXVCDLSA-N 2 0 310.442 0.125 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2CCCO)CC1 ZINC000458665617 416488476 /nfs/dbraw/zinc/48/84/76/416488476.db2.gz QVDNPDAUCXHVRO-MRXNPFEDSA-N 2 0 324.469 0.784 10 0 DCAERP C[NH2+]C[C@@H](O)C[C@@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000536954911 416549904 /nfs/dbraw/zinc/54/99/04/416549904.db2.gz MYVSRTIEVNIYIY-SWLSCSKDSA-N 2 0 301.431 0.933 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438714662 416602237 /nfs/dbraw/zinc/60/22/37/416602237.db2.gz VJZSQMAHQZNRAP-CYBMUJFWSA-N 2 0 308.430 0.908 10 0 DCAERP CC[NH+]1CCC(CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000545176502 416665347 /nfs/dbraw/zinc/66/53/47/416665347.db2.gz CIHIUMYSKICKJX-MRXNPFEDSA-N 2 0 312.458 0.474 10 0 DCAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649332192 418239602 /nfs/dbraw/zinc/23/96/02/418239602.db2.gz DQJBONLDFPRLPJ-ZBFHGGJFSA-N 2 0 305.422 0.859 10 0 DCAERP Cc1cnc(NCC[NH+]2CCCC2)nc1NCC[NH+]1CCCC1 ZINC000359479684 261749189 /nfs/dbraw/zinc/74/91/89/261749189.db2.gz IRYSGQBPVWLYLH-UHFFFAOYSA-N 2 0 318.469 0.644 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556359280 288375393 /nfs/dbraw/zinc/37/53/93/288375393.db2.gz AIKLDGJQPZYKRM-UONOGXRCSA-N 2 0 310.442 0.140 10 0 DCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261882494 290083472 /nfs/dbraw/zinc/08/34/72/290083472.db2.gz ZICTXYZGOBKRRY-NUEKZKHPSA-N 2 0 311.470 0.913 10 0 DCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099591 526656501 /nfs/dbraw/zinc/65/65/01/526656501.db2.gz NLHIEIKICFGKGW-HOTGVXAUSA-N 2 0 303.406 0.621 10 0 DCAERP CCCC[NH+]1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722233780 659396582 /nfs/dbraw/zinc/39/65/82/659396582.db2.gz NSFJSENVIDSNIU-CQSZACIVSA-N 2 0 303.472 0.922 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000227341997 664533289 /nfs/dbraw/zinc/53/32/89/664533289.db2.gz MYXWZXVOMYAXOR-MGPQQGTHSA-N 2 0 301.456 0.484 10 0 DCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CSC(=O)N1 ZINC000155993463 669836657 /nfs/dbraw/zinc/83/66/57/669836657.db2.gz YJXNWPFIZIWZAG-LBPRGKRZSA-N 2 0 316.471 0.543 10 0 DCAERP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209214 774153944 /nfs/dbraw/zinc/15/39/44/774153944.db2.gz AYBLOKLJMPLHDX-HIFRSBDPSA-N 2 0 323.462 0.788 10 0 DCAERP CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000011934519 395686896 /nfs/dbraw/zinc/68/68/96/395686896.db2.gz VEABTLBRTKJOCY-AWEZNQCLSA-N 2 0 310.442 0.045 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237077656 395902218 /nfs/dbraw/zinc/90/22/18/395902218.db2.gz YJUPWULZFFLAGC-MRXNPFEDSA-N 2 0 308.470 0.615 10 0 DCAERP Cn1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000248199934 395983223 /nfs/dbraw/zinc/98/32/23/395983223.db2.gz YIZLNAGMYSRUAQ-GXTWGEPZSA-N 2 0 306.410 0.000 10 0 DCAERP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@@H](CNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067785006 396034055 /nfs/dbraw/zinc/03/40/55/396034055.db2.gz KLRMBPFDQYAZFR-INIZCTEOSA-N 3 0 322.497 0.764 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000157382626 396063503 /nfs/dbraw/zinc/06/35/03/396063503.db2.gz NSNYAGMQQJRNJM-HUUCEWRRSA-N 2 0 312.458 0.738 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261812713 396068953 /nfs/dbraw/zinc/06/89/53/396068953.db2.gz GRWQKKDYVMAPNW-INIZCTEOSA-N 2 0 324.469 0.420 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262174909 396106923 /nfs/dbraw/zinc/10/69/23/396106923.db2.gz YTRJKDPNYRHISQ-CABCVRRESA-N 2 0 313.442 0.213 10 0 DCAERP O=C(CCN1CCO[C@H](c2ccsc2)C1)N1CC[NH2+]CC1 ZINC000262225365 396113111 /nfs/dbraw/zinc/11/31/11/396113111.db2.gz UYEANECROMEENC-AWEZNQCLSA-N 2 0 309.435 0.943 10 0 DCAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])COC)CC1 ZINC000262417696 396137991 /nfs/dbraw/zinc/13/79/91/396137991.db2.gz RIRVUYPQPMNOJU-ZDUSSCGKSA-N 2 0 306.410 0.741 10 0 DCAERP CN1CCC[NH+](CCCCC[N@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191135668 396415835 /nfs/dbraw/zinc/41/58/35/396415835.db2.gz PKUYZFBYWPZIKL-UHFFFAOYSA-N 2 0 324.469 0.485 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000584686161 396614860 /nfs/dbraw/zinc/61/48/60/396614860.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 2 0 320.437 0.034 10 0 DCAERP c1nc(N2CCOCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000634813009 396922267 /nfs/dbraw/zinc/92/22/67/396922267.db2.gz WWCSIRMKWARNNL-UONOGXRCSA-N 2 0 303.410 0.892 10 0 DCAERP CC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000125158283 158252550 /nfs/dbraw/zinc/25/25/50/158252550.db2.gz DVJMTGSHMLZTCZ-HZPDHXFCSA-N 2 0 310.486 0.955 10 0 DCAERP C[NH2+]CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000237291246 287066857 /nfs/dbraw/zinc/06/68/57/287066857.db2.gz AVXXWEHNMJLVQP-UHFFFAOYSA-N 2 0 304.394 0.670 10 0 DCAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339829 287081332 /nfs/dbraw/zinc/08/13/32/287081332.db2.gz OGFFBASIDYIQJT-HUUCEWRRSA-N 2 0 317.499 0.932 10 0 DCAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333946701 415767826 /nfs/dbraw/zinc/76/78/26/415767826.db2.gz UXFZSNCGCKJZSQ-GPANFISMSA-N 2 0 323.485 0.596 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000172115156 416043277 /nfs/dbraw/zinc/04/32/77/416043277.db2.gz QXAQOZZNCKIFPS-OAHLLOKOSA-N 2 0 312.458 0.831 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000173397535 416057829 /nfs/dbraw/zinc/05/78/29/416057829.db2.gz WCKUSXMAPAKUDE-INIZCTEOSA-N 2 0 322.453 0.753 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC2CCC2)CC1 ZINC000171746275 416039869 /nfs/dbraw/zinc/03/98/69/416039869.db2.gz HJDVCOJVGBKTQY-AWEZNQCLSA-N 2 0 311.470 0.927 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CC[NH2+]C(C)(C)C3)ccn2)CC1 ZINC000175436065 416105774 /nfs/dbraw/zinc/10/57/74/416105774.db2.gz KUGWURXBYVWGMJ-UHFFFAOYSA-N 2 0 317.437 0.657 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175737104 416113351 /nfs/dbraw/zinc/11/33/51/416113351.db2.gz VILYSAMYRIGLIX-OAHLLOKOSA-N 2 0 310.442 0.610 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176257258 416121784 /nfs/dbraw/zinc/12/17/84/416121784.db2.gz XHZXFEFBMOWZPQ-OAHLLOKOSA-N 2 0 324.469 0.977 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178886698 416175561 /nfs/dbraw/zinc/17/55/61/416175561.db2.gz QDHBSAANZQXHHN-HUUCEWRRSA-N 2 0 319.453 0.809 10 0 DCAERP C[C@H](CN1CCOCC1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180478405 416198420 /nfs/dbraw/zinc/19/84/20/416198420.db2.gz RLJGZJLHCQODCO-MRXNPFEDSA-N 2 0 321.469 0.649 10 0 DCAERP CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193604380 416318539 /nfs/dbraw/zinc/31/85/39/416318539.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 0 323.437 0.424 10 0 DCAERP C[C@@H](CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC000548345528 416686873 /nfs/dbraw/zinc/68/68/73/416686873.db2.gz ZTFOYZZWQFVXOI-GXTWGEPZSA-N 2 0 305.426 1.382 10 0 DCAERP C[C@H](CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC000548345533 416688501 /nfs/dbraw/zinc/68/85/01/416688501.db2.gz ZTFOYZZWQFVXOI-TZMCWYRMSA-N 2 0 305.426 1.382 10 0 DCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559780737 416825345 /nfs/dbraw/zinc/82/53/45/416825345.db2.gz IFKXAQGFFYFFFX-AWEZNQCLSA-N 2 0 312.458 0.387 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCO[C@H](C)C2)CC1 ZINC000191484867 261137067 /nfs/dbraw/zinc/13/70/67/261137067.db2.gz CUEXXEKXHJBHSK-HZPDHXFCSA-N 2 0 313.486 0.732 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248998079 288316282 /nfs/dbraw/zinc/31/62/82/288316282.db2.gz MPGFUNJHZRVXBK-RYUDHWBXSA-N 2 0 303.410 0.754 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CCSC1 ZINC000261901811 289342422 /nfs/dbraw/zinc/34/24/22/289342422.db2.gz WNRIROSBOSRODA-TZMCWYRMSA-N 2 0 301.456 0.294 10 0 DCAERP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262423102 295234317 /nfs/dbraw/zinc/23/43/17/295234317.db2.gz GEDFNSMLZBSPGU-YJNKXOJESA-N 2 0 322.453 0.221 10 0 DCAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237156265 521759058 /nfs/dbraw/zinc/75/90/58/521759058.db2.gz WZIIHKCWOOQYKW-CVEARBPZSA-N 2 0 310.486 0.894 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000262229180 522037441 /nfs/dbraw/zinc/03/74/41/522037441.db2.gz KDWMAMQWVYEHPY-KFWWJZLASA-N 2 0 305.426 0.276 10 0 DCAERP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000332975928 546068530 /nfs/dbraw/zinc/06/85/30/546068530.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 2 0 324.469 0.566 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729620835 662905906 /nfs/dbraw/zinc/90/59/06/662905906.db2.gz VSYUBKDSFVXONQ-CABCVRRESA-N 2 0 319.409 0.078 10 0 DCAERP CO[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCS(=O)(=O)C1 ZINC000721257511 663090954 /nfs/dbraw/zinc/09/09/54/663090954.db2.gz DDWIWOQNGWTFEK-FQUUOJAGSA-N 2 0 302.440 0.168 10 0 DCAERP CN(C)S(=O)(=O)CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714404925 670185133 /nfs/dbraw/zinc/18/51/33/670185133.db2.gz NZODNRYSGIXNKL-UHFFFAOYSA-N 2 0 305.488 0.965 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)CC2CC2)CC1 ZINC000105862636 194150476 /nfs/dbraw/zinc/15/04/76/194150476.db2.gz UDXOHXPHXQTNCP-AWEZNQCLSA-N 2 0 311.470 0.879 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373728 285019750 /nfs/dbraw/zinc/01/97/50/285019750.db2.gz MMUXQCIGPMEXNO-CQSZACIVSA-N 2 0 313.442 0.230 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195146379 395817985 /nfs/dbraw/zinc/81/79/85/395817985.db2.gz RXVNGDMUODCXEP-OAHLLOKOSA-N 2 0 312.458 0.881 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237079129 395902253 /nfs/dbraw/zinc/90/22/53/395902253.db2.gz YJUPWULZFFLAGC-INIZCTEOSA-N 2 0 308.470 0.615 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CCN2CCCC[C@@H]2C1 ZINC000248664872 395993897 /nfs/dbraw/zinc/99/38/97/395993897.db2.gz KTGLCRTXBZLFTE-CQSZACIVSA-N 2 0 301.456 0.582 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)CCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170859994 396099648 /nfs/dbraw/zinc/09/96/48/396099648.db2.gz FUNFSKNGJHZTKP-GJZGRUSLSA-N 2 0 324.469 0.482 10 0 DCAERP CC[N@H+](CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000171250987 396111770 /nfs/dbraw/zinc/11/17/70/396111770.db2.gz JLQUBOVANFWJRE-OAHLLOKOSA-N 2 0 312.458 0.617 10 0 DCAERP C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@@H]2C1 ZINC000192826725 396438836 /nfs/dbraw/zinc/43/88/36/396438836.db2.gz JXXZYYUDEJCATP-UONOGXRCSA-N 2 0 301.456 0.438 10 0 DCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CN3CCOCC3)c2)C1 ZINC000187930886 396376334 /nfs/dbraw/zinc/37/63/34/396376334.db2.gz CMMLHIIHFBRFCX-JKSUJKDBSA-N 2 0 319.405 0.834 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012704 287075359 /nfs/dbraw/zinc/07/53/59/287075359.db2.gz KUKFNBAMSJKHMN-CABCVRRESA-N 2 0 312.458 0.689 10 0 DCAERP Cn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333589177 415690983 /nfs/dbraw/zinc/69/09/83/415690983.db2.gz OVKRXJHNEKDGCE-STQMWFEESA-N 2 0 305.426 0.663 10 0 DCAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117031914 415731878 /nfs/dbraw/zinc/73/18/78/415731878.db2.gz PQXDUBWXDOWOGE-LSDHHAIUSA-N 2 0 312.458 0.690 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000111862671 415700013 /nfs/dbraw/zinc/70/00/13/415700013.db2.gz KROUWOYXADONPY-CABCVRRESA-N 2 0 312.458 0.738 10 0 DCAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000174350355 416077782 /nfs/dbraw/zinc/07/77/82/416077782.db2.gz JBRQDYWLMBAHPF-CABCVRRESA-N 2 0 311.474 0.263 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000174623800 416081862 /nfs/dbraw/zinc/08/18/62/416081862.db2.gz QTBYGBHGBPIHRG-ZIAGYGMSSA-N 2 0 300.447 0.689 10 0 DCAERP Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839138 416200529 /nfs/dbraw/zinc/20/05/29/416200529.db2.gz NLGWVWRQJDYNCW-HNNXBMFYSA-N 2 0 319.453 0.449 10 0 DCAERP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358186402 416206665 /nfs/dbraw/zinc/20/66/65/416206665.db2.gz JAJBTLTXBOIDTF-OAHLLOKOSA-N 2 0 310.442 0.658 10 0 DCAERP Cc1cc(N2CC[C@@H](N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2=O)n(C)n1 ZINC000193598580 416319202 /nfs/dbraw/zinc/31/92/02/416319202.db2.gz CDCAGTSRZWUASQ-HZSPNIEDSA-N 2 0 303.410 0.327 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000190687053 416280531 /nfs/dbraw/zinc/28/05/31/416280531.db2.gz LGQLCBQHXHJPQL-TZMCWYRMSA-N 2 0 303.472 0.588 10 0 DCAERP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261555454 416335628 /nfs/dbraw/zinc/33/56/28/416335628.db2.gz UZKRWRXIURDEFI-OAHLLOKOSA-N 2 0 303.406 0.885 10 0 DCAERP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000459263760 416527454 /nfs/dbraw/zinc/52/74/54/416527454.db2.gz MJKMWJPOYMRSBW-AWEZNQCLSA-N 2 0 305.426 0.947 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000535265193 416518966 /nfs/dbraw/zinc/51/89/66/416518966.db2.gz WKTAFHNFKHGGON-TZMCWYRMSA-N 2 0 303.410 0.840 10 0 DCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649279147 418218344 /nfs/dbraw/zinc/21/83/44/418218344.db2.gz ZGCIMZGVIYOIJD-JKSUJKDBSA-N 2 0 303.406 0.613 10 0 DCAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000236923479 276110204 /nfs/dbraw/zinc/11/02/04/276110204.db2.gz FCZCBBPUPBKFNA-CVEARBPZSA-N 2 0 305.422 0.867 10 0 DCAERP C[NH2+]CCC1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000262008676 277021402 /nfs/dbraw/zinc/02/14/02/277021402.db2.gz WALRFDXSUUDBJY-AWEZNQCLSA-N 2 0 310.442 0.032 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248690989 279156724 /nfs/dbraw/zinc/15/67/24/279156724.db2.gz XULHJHFBWIEEQG-QLFBSQMISA-N 2 0 314.474 0.813 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262060698 288311115 /nfs/dbraw/zinc/31/11/15/288311115.db2.gz AVDISPJCMHHCDT-BVUBDWEXSA-N 2 0 317.437 0.418 10 0 DCAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000333749245 295250166 /nfs/dbraw/zinc/25/01/66/295250166.db2.gz YTLFNIDGBKYYEC-NUEKZKHPSA-N 2 0 318.421 0.883 10 0 DCAERP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157353189 520610271 /nfs/dbraw/zinc/61/02/71/520610271.db2.gz ONLHHNAKGNJQIQ-ZDUSSCGKSA-N 2 0 312.458 0.420 10 0 DCAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193640918 670321076 /nfs/dbraw/zinc/32/10/76/670321076.db2.gz ZWWYQPYTPGLHJX-DZGCQCFKSA-N 2 0 317.437 0.704 10 0 DCAERP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000133722758 685120819 /nfs/dbraw/zinc/12/08/19/685120819.db2.gz JUKIDVQCCCWAPQ-ZDUSSCGKSA-N 2 0 303.472 0.922 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000261841789 285016478 /nfs/dbraw/zinc/01/64/78/285016478.db2.gz CPIVFUUVWTZYNX-MRXNPFEDSA-N 2 0 305.422 0.910 10 0 DCAERP CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000011934520 395686976 /nfs/dbraw/zinc/68/69/76/395686976.db2.gz VEABTLBRTKJOCY-CQSZACIVSA-N 2 0 310.442 0.045 10 0 DCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117032134 395850063 /nfs/dbraw/zinc/85/00/63/395850063.db2.gz HLEZSQBVHPXRAQ-CABCVRRESA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237236689 395907578 /nfs/dbraw/zinc/90/75/78/395907578.db2.gz NETQPSAQHHSPDS-AWEZNQCLSA-N 2 0 303.410 0.397 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237236594 395907598 /nfs/dbraw/zinc/90/75/98/395907598.db2.gz BBNASNIXWAFFBG-OAHLLOKOSA-N 2 0 317.437 0.787 10 0 DCAERP Cn1cc(C(=O)NCC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261693546 396056988 /nfs/dbraw/zinc/05/69/88/396056988.db2.gz BOPXTFKKQWINRP-KRWDZBQOSA-N 2 0 319.453 0.862 10 0 DCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261778372 396064976 /nfs/dbraw/zinc/06/49/76/396064976.db2.gz MULOIMCPTKNRBZ-KGLIPLIRSA-N 2 0 301.431 0.213 10 0 DCAERP Cc1cnn(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864327 396073661 /nfs/dbraw/zinc/07/36/61/396073661.db2.gz KRJBKPUQYOJTBS-HZPDHXFCSA-N 2 0 319.453 0.772 10 0 DCAERP CCN(CC)C(=O)C[N@@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262089377 396098179 /nfs/dbraw/zinc/09/81/79/396098179.db2.gz URRWLRNKOCYFFV-QGZVFWFLSA-N 2 0 310.486 0.862 10 0 DCAERP NC(=O)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182968095 396257663 /nfs/dbraw/zinc/25/76/63/396257663.db2.gz XDUBAHXAJOCOCY-UHFFFAOYSA-N 2 0 312.414 0.006 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000189417626 396395124 /nfs/dbraw/zinc/39/51/24/396395124.db2.gz QLXYQNBNJPBRFC-UHFFFAOYSA-N 2 0 315.483 0.972 10 0 DCAERP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522601 396775719 /nfs/dbraw/zinc/77/57/19/396775719.db2.gz DNZANONNUGYFOR-OLZOCXBDSA-N 2 0 301.398 0.435 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000172125087 158390927 /nfs/dbraw/zinc/39/09/27/158390927.db2.gz RONSOMFIFGCSIF-MRXNPFEDSA-N 2 0 324.469 0.833 10 0 DCAERP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000262056026 158767943 /nfs/dbraw/zinc/76/79/43/158767943.db2.gz AMUWFVYJFVYWLC-CFVMTHIKSA-N 2 0 321.469 0.816 10 0 DCAERP C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000246153103 287077611 /nfs/dbraw/zinc/07/76/11/287077611.db2.gz DDXHYSFYZHUJEK-LSDHHAIUSA-N 2 0 317.499 0.932 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000105282368 415628847 /nfs/dbraw/zinc/62/88/47/415628847.db2.gz ZOVMHNNZRMERLU-OAHLLOKOSA-N 2 0 310.442 0.587 10 0 DCAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595240 415693771 /nfs/dbraw/zinc/69/37/71/415693771.db2.gz BKNNFXXBXJPEAM-MRLBHPIUSA-N 2 0 312.458 0.327 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333725731 415726309 /nfs/dbraw/zinc/72/63/09/415726309.db2.gz VJICMZQVRDLOSA-HUUCEWRRSA-N 2 0 309.458 0.160 10 0 DCAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333809344 415743389 /nfs/dbraw/zinc/74/33/89/415743389.db2.gz IYWJYFSIHBLFQM-ZIAGYGMSSA-N 2 0 312.458 0.615 10 0 DCAERP CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333924485 415769008 /nfs/dbraw/zinc/76/90/08/415769008.db2.gz SYZNYERVNWDGHV-KBPBESRZSA-N 2 0 312.458 0.615 10 0 DCAERP CC[N@H+](CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000175744562 416112289 /nfs/dbraw/zinc/11/22/89/416112289.db2.gz HAVXLAOQVMEVEV-GDBMZVCRSA-N 2 0 324.469 0.833 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCN1CCOCC1 ZINC000176131547 416120176 /nfs/dbraw/zinc/12/01/76/416120176.db2.gz XLRGOIJGQVDVDU-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP CN(C(=O)CN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000179057834 416180465 /nfs/dbraw/zinc/18/04/65/416180465.db2.gz KWFFEDLBGXZKDP-KRWDZBQOSA-N 2 0 316.449 0.625 10 0 DCAERP C[C@@H](CN1CCOCC1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180478385 416197220 /nfs/dbraw/zinc/19/72/20/416197220.db2.gz RLJGZJLHCQODCO-INIZCTEOSA-N 2 0 321.469 0.649 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178263121 416161279 /nfs/dbraw/zinc/16/12/79/416161279.db2.gz PYUOQUVCSOPKDP-NFAWXSAZSA-N 2 0 317.499 0.976 10 0 DCAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237992545 416329426 /nfs/dbraw/zinc/32/94/26/416329426.db2.gz CAZPWSSLWIYRAJ-HZPDHXFCSA-N 2 0 321.465 0.947 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000557741960 416750010 /nfs/dbraw/zinc/75/00/10/416750010.db2.gz KTAGISNZDDESPC-UHFFFAOYSA-N 2 0 312.458 0.387 10 0 DCAERP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000408096086 417141750 /nfs/dbraw/zinc/14/17/50/417141750.db2.gz VIBLOOCFKJIKSP-GXTWGEPZSA-N 2 0 303.472 0.588 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781203 417353504 /nfs/dbraw/zinc/35/35/04/417353504.db2.gz MGDJKXMGNCHZRT-PVAVHDDUSA-N 2 0 317.433 0.859 10 0 DCAERP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000580477849 417705379 /nfs/dbraw/zinc/70/53/79/417705379.db2.gz GHNVEZPAETUUIT-LRDDRELGSA-N 2 0 307.394 0.933 10 0 DCAERP CC(C)[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000333887516 280243494 /nfs/dbraw/zinc/24/34/94/280243494.db2.gz GDWUZYPIPHFXFD-CABCVRRESA-N 2 0 311.474 0.262 10 0 DCAERP CC[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000333488286 281137958 /nfs/dbraw/zinc/13/79/58/281137958.db2.gz DACYOXWHHWIMCF-CABCVRRESA-N 2 0 312.458 0.881 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556359270 288375348 /nfs/dbraw/zinc/37/53/48/288375348.db2.gz AIKLDGJQPZYKRM-KBPBESRZSA-N 2 0 310.442 0.140 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)Cn2cccn2)CC1 ZINC000171631164 534076376 /nfs/dbraw/zinc/07/63/76/534076376.db2.gz KUHDWRGMZOGWOQ-HOCLYGCPSA-N 2 0 310.442 0.269 10 0 DCAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)CC2 ZINC000261841387 661744668 /nfs/dbraw/zinc/74/46/68/661744668.db2.gz AJKIMEYMRPNRAB-BARDWOONSA-N 2 0 305.426 0.648 10 0 DCAERP Cn1nncc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397504013 1158100722 /nfs/dbraw/zinc/10/07/22/1158100722.db2.gz HEQAGKKLVPPQAF-UHFFFAOYSA-N 2 0 315.421 0.932 10 0 DCAERP C[C@H](CCNS(=O)(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000405204764 774153763 /nfs/dbraw/zinc/15/37/63/774153763.db2.gz WEXIAZFTCAVHSI-CYBMUJFWSA-N 2 0 311.451 0.788 10 0 DCAERP COCCNc1nc2c(c(N3CCC[NH2+]CC3)n1)CC[NH2+]CC2 ZINC000072412395 191155173 /nfs/dbraw/zinc/15/51/73/191155173.db2.gz QJOFJUAAWFYBMU-UHFFFAOYSA-N 2 0 320.441 0.023 10 0 DCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247039851 285204434 /nfs/dbraw/zinc/20/44/34/285204434.db2.gz IWMZELHDAHVBNB-GJZGRUSLSA-N 2 0 312.458 0.833 10 0 DCAERP NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000284883014 131119815 /nfs/dbraw/zinc/11/98/15/131119815.db2.gz QSUPTZKEPQIVPQ-OAHLLOKOSA-N 2 0 301.350 0.080 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246574705 395953409 /nfs/dbraw/zinc/95/34/09/395953409.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 0 310.442 0.585 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000247141388 395967682 /nfs/dbraw/zinc/96/76/82/395967682.db2.gz SYWWGRFFXBAWEE-RRFJBIMHSA-N 2 0 312.458 0.831 10 0 DCAERP CC1(C)CN(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000247558170 395976642 /nfs/dbraw/zinc/97/66/42/395976642.db2.gz RFSSUHDGVKYBEZ-AWEZNQCLSA-N 2 0 310.442 0.587 10 0 DCAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261843218 396072136 /nfs/dbraw/zinc/07/21/36/396072136.db2.gz PKDZPPLLFJWESQ-KBPBESRZSA-N 2 0 317.437 0.643 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000262071809 396096475 /nfs/dbraw/zinc/09/64/75/396096475.db2.gz GEWZSVRHRGJAOU-IPYPFGDCSA-N 2 0 310.442 0.171 10 0 DCAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262351452 396129043 /nfs/dbraw/zinc/12/90/43/396129043.db2.gz ULCUMJJHMFQZLV-XHSDSOJGSA-N 2 0 319.453 0.666 10 0 DCAERP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2C[NH2+]C2)CC1 ZINC000263337848 396214281 /nfs/dbraw/zinc/21/42/81/396214281.db2.gz WUXGBFBPHQGVSB-UHFFFAOYSA-N 2 0 316.449 0.660 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189431318 396395987 /nfs/dbraw/zinc/39/59/87/396395987.db2.gz OPUYDQZCKOKNHS-UONOGXRCSA-N 2 0 301.456 0.581 10 0 DCAERP C[C@@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000303996032 396726714 /nfs/dbraw/zinc/72/67/14/396726714.db2.gz PCOSFLSADOBBMV-CYBMUJFWSA-N 2 0 309.454 0.822 10 0 DCAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000309725834 396757568 /nfs/dbraw/zinc/75/75/68/396757568.db2.gz NPUYHOWACSVZDA-YESZJQIVSA-N 2 0 317.433 0.738 10 0 DCAERP Cc1n[nH]cc1CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121072885 158206646 /nfs/dbraw/zinc/20/66/46/158206646.db2.gz UIAXARYQCGTXBP-QGZVFWFLSA-N 2 0 321.469 0.945 10 0 DCAERP C[NH+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000129535341 158289947 /nfs/dbraw/zinc/28/99/47/158289947.db2.gz ZUVGQQQQLMVRCD-OAHLLOKOSA-N 2 0 312.458 0.692 10 0 DCAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333417897 415644213 /nfs/dbraw/zinc/64/42/13/415644213.db2.gz SCXQKDPQFKAZHC-BPUTZDHNSA-N 2 0 324.469 0.758 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333433367 415650256 /nfs/dbraw/zinc/65/02/56/415650256.db2.gz UZESQKHGRIOXCY-YRGRVCCFSA-N 2 0 300.472 0.721 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000114456487 415721010 /nfs/dbraw/zinc/72/10/10/415721010.db2.gz ZTVLZGMONLOGEC-KGLIPLIRSA-N 2 0 324.469 0.561 10 0 DCAERP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333758280 415731302 /nfs/dbraw/zinc/73/13/02/415731302.db2.gz ADJIWQMRNICSHZ-LSDHHAIUSA-N 2 0 311.474 0.454 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333657028 415707718 /nfs/dbraw/zinc/70/77/18/415707718.db2.gz KXBNHYCTBAQUKX-GDBMZVCRSA-N 2 0 324.469 0.738 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333657031 415707909 /nfs/dbraw/zinc/70/79/09/415707909.db2.gz KXBNHYCTBAQUKX-ZBFHGGJFSA-N 2 0 324.469 0.738 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000119793166 415749780 /nfs/dbraw/zinc/74/97/80/415749780.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 2 0 300.447 0.593 10 0 DCAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000182853370 416232980 /nfs/dbraw/zinc/23/29/80/416232980.db2.gz FFNXCQSIMVUGSI-PMPSAXMXSA-N 2 0 305.422 0.865 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000172115161 277583827 /nfs/dbraw/zinc/58/38/27/277583827.db2.gz QXAQOZZNCKIFPS-HNNXBMFYSA-N 2 0 312.458 0.831 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000263108275 280274320 /nfs/dbraw/zinc/27/43/20/280274320.db2.gz DFMQYIDNYFJNBF-NFAWXSAZSA-N 2 0 312.458 0.465 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000562278054 288562445 /nfs/dbraw/zinc/56/24/45/288562445.db2.gz QOKZUWBXBBNDQJ-UONOGXRCSA-N 2 0 312.458 0.386 10 0 DCAERP C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(CC[NH+](C)C)C1 ZINC000096067259 289171049 /nfs/dbraw/zinc/17/10/49/289171049.db2.gz NITJWZFJFQLXQY-HNNXBMFYSA-N 2 0 309.458 0.455 10 0 DCAERP Nc1ccc2nc(N3CC[NH2+]CC3)c(N3CC[NH2+]CC3)nc2c1 ZINC000584640074 337379970 /nfs/dbraw/zinc/37/99/70/337379970.db2.gz ZSGOFCWSSLILQP-UHFFFAOYSA-N 2 0 313.409 0.031 10 0 DCAERP CCOCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175961174 528760121 /nfs/dbraw/zinc/76/01/21/528760121.db2.gz JKLJJYWTNBXOKC-CQSZACIVSA-N 2 0 315.458 0.164 10 0 DCAERP C[C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000722257636 660510920 /nfs/dbraw/zinc/51/09/20/660510920.db2.gz QIUAIZCOCUVMNL-UONOGXRCSA-N 2 0 303.472 0.780 10 0 DCAERP O=C(NC[C@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261829391 661734621 /nfs/dbraw/zinc/73/46/21/661734621.db2.gz KVSWITFIIHWKSC-HUUCEWRRSA-N 2 0 322.453 0.189 10 0 DCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090588 662054774 /nfs/dbraw/zinc/05/47/74/662054774.db2.gz UTJIZNJLMFRHBQ-MSOLQXFVSA-N 2 0 324.513 0.713 10 0 DCAERP CS(=O)(=O)N[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702974671 667021217 /nfs/dbraw/zinc/02/12/17/667021217.db2.gz FPNUIFDREGHSTK-WTUNAVPPSA-N 2 0 301.456 0.531 10 0 DCAERP COC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886084623 667730072 /nfs/dbraw/zinc/73/00/72/667730072.db2.gz QRNXXEHXVKWQHB-HOCLYGCPSA-N 2 0 309.410 0.604 10 0 DCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716138196 670227549 /nfs/dbraw/zinc/22/75/49/670227549.db2.gz NDKZPZGKBHSCRZ-UHFFFAOYSA-N 2 0 303.472 0.178 10 0 DCAERP CCCS(=O)(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862672 672241182 /nfs/dbraw/zinc/24/11/82/672241182.db2.gz VRLFOWLQDIETDC-CQSZACIVSA-N 2 0 320.499 0.836 10 0 DCAERP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949038 685258495 /nfs/dbraw/zinc/25/84/95/685258495.db2.gz RQDAAJHXHVBQEC-BPUTZDHNSA-N 2 0 305.422 0.987 10 0 DCAERP NC(=O)CC[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717996620 685304682 /nfs/dbraw/zinc/30/46/82/685304682.db2.gz UQXYOPUMBBGHIQ-UHFFFAOYSA-N 2 0 305.422 0.869 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NC3CC3)cn2)CC1 ZINC000066245265 685065131 /nfs/dbraw/zinc/06/51/31/685065131.db2.gz YLTKPFMRCHCUHE-UHFFFAOYSA-N 2 0 302.426 0.790 10 0 DCAERP C[NH+](C)CCN(Cc1ccco1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188945561 282097177 /nfs/dbraw/zinc/09/71/77/282097177.db2.gz MXBLHCCYFDVKGF-UHFFFAOYSA-N 2 0 317.393 0.852 10 0 DCAERP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236946514 202086740 /nfs/dbraw/zinc/08/67/40/202086740.db2.gz ZDWWCXFBUFGPNI-JYJNAYRXSA-N 2 0 308.470 0.661 10 0 DCAERP Cn1ccnc1C[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000119896755 132136871 /nfs/dbraw/zinc/13/68/71/132136871.db2.gz ZWLOLUHAPIMQBL-ZIAGYGMSSA-N 2 0 306.410 0.532 10 0 DCAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186706128 134448647 /nfs/dbraw/zinc/44/86/47/134448647.db2.gz YYKCRFGXAAGMPT-DZGCQCFKSA-N 2 0 317.437 0.561 10 0 DCAERP Cc1nc(CC[NH3+])cc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000067726928 134836355 /nfs/dbraw/zinc/83/63/55/134836355.db2.gz BLNCEMLBDPDTQH-INIZCTEOSA-N 2 0 319.453 0.712 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000111836840 395814392 /nfs/dbraw/zinc/81/43/92/395814392.db2.gz DNQYYWNJAVKHRX-CABCVRRESA-N 2 0 312.458 0.881 10 0 DCAERP C[NH2+]C[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000237187625 395906067 /nfs/dbraw/zinc/90/60/67/395906067.db2.gz BGEKTDVZYZURRA-OAHLLOKOSA-N 2 0 310.486 0.908 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237236665 395907569 /nfs/dbraw/zinc/90/75/69/395907569.db2.gz NETQPSAQHHSPDS-CQSZACIVSA-N 2 0 303.410 0.397 10 0 DCAERP COc1cccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+](C)C)c1 ZINC000261827517 396070189 /nfs/dbraw/zinc/07/01/89/396070189.db2.gz XFFGMQHUHONRFU-HNNXBMFYSA-N 2 0 321.421 0.922 10 0 DCAERP CCCn1cc(CN2CCCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000262159325 396105578 /nfs/dbraw/zinc/10/55/78/396105578.db2.gz AXBYUGTXDBDCDX-UHFFFAOYSA-N 2 0 305.426 0.547 10 0 DCAERP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000175772385 396142068 /nfs/dbraw/zinc/14/20/68/396142068.db2.gz HYCVHRJUDAADMF-ILXRZTDVSA-N 2 0 312.458 0.879 10 0 DCAERP CC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262224877 396112766 /nfs/dbraw/zinc/11/27/66/396112766.db2.gz JSXCAEOLNALSRL-CVEARBPZSA-N 2 0 319.453 0.571 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389488 396134471 /nfs/dbraw/zinc/13/44/71/396134471.db2.gz XUAQHAQCAYVSRY-GJZGRUSLSA-N 2 0 317.437 0.657 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000262401792 396136046 /nfs/dbraw/zinc/13/60/46/396136046.db2.gz YPKFUPQFOZKUMG-CVEARBPZSA-N 2 0 317.437 0.420 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000185925197 396337076 /nfs/dbraw/zinc/33/70/76/396337076.db2.gz LPFUMDZXSRFRER-RRFJBIMHSA-N 2 0 314.474 0.813 10 0 DCAERP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000372909521 396553409 /nfs/dbraw/zinc/55/34/09/396553409.db2.gz GOAJXQOOURDXQB-GOEBONIOSA-N 2 0 315.417 0.894 10 0 DCAERP C[N@H+](CCC[NH2+]C[C@@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885019 396723308 /nfs/dbraw/zinc/72/33/08/396723308.db2.gz MJWABRXCHQACOK-GOSISDBHSA-N 2 0 321.465 0.791 10 0 DCAERP COC[C@@H](CCC[NH3+])[NH2+]CCn1cc(Br)cn1 ZINC000310325914 396759709 /nfs/dbraw/zinc/75/97/09/396759709.db2.gz YRVOYTYAPOSDLQ-LLVKDONJSA-N 2 0 305.220 0.989 10 0 DCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117038211 158170347 /nfs/dbraw/zinc/17/03/47/158170347.db2.gz GQSZHEPGXJRJQU-HUUCEWRRSA-N 2 0 312.458 0.690 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCO1 ZINC000117032660 158170433 /nfs/dbraw/zinc/17/04/33/158170433.db2.gz GDCJDOPDEBCGNC-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP Cc1n[nH]cc1CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121073057 158206840 /nfs/dbraw/zinc/20/68/40/158206840.db2.gz UIAXARYQCGTXBP-KRWDZBQOSA-N 2 0 321.469 0.945 10 0 DCAERP C[C@@H]1C[C@H](N(C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123882957 158235284 /nfs/dbraw/zinc/23/52/84/158235284.db2.gz MJTLVKXIWGKYFO-NXEZZACHSA-N 2 0 324.347 0.789 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129954537 158292545 /nfs/dbraw/zinc/29/25/45/158292545.db2.gz IHHCNXWNEAJGSN-HUUCEWRRSA-N 2 0 312.458 0.690 10 0 DCAERP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000133444128 158319590 /nfs/dbraw/zinc/31/95/90/158319590.db2.gz FAPXUORFZOBBMB-CQSZACIVSA-N 2 0 314.455 0.985 10 0 DCAERP CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000408070601 160028265 /nfs/dbraw/zinc/02/82/65/160028265.db2.gz JYMXAZXESLESQL-KGLIPLIRSA-N 2 0 303.472 0.922 10 0 DCAERP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)[C@@H](C)C[N@@H+]1C ZINC000408389742 160098530 /nfs/dbraw/zinc/09/85/30/160098530.db2.gz NSEOTCNJDFLGSP-HZSPNIEDSA-N 2 0 305.426 0.967 10 0 DCAERP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134905625 287018924 /nfs/dbraw/zinc/01/89/24/287018924.db2.gz GZGKTXXEEMSEAH-HIFRSBDPSA-N 2 0 315.483 0.874 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000333488902 415665396 /nfs/dbraw/zinc/66/53/96/415665396.db2.gz DACYOXWHHWIMCF-HUUCEWRRSA-N 2 0 312.458 0.881 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C(C)C ZINC000111849905 415695867 /nfs/dbraw/zinc/69/58/67/415695867.db2.gz UUYHHJQZRYSQJC-CQSZACIVSA-N 2 0 300.447 0.737 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000113579094 415717905 /nfs/dbraw/zinc/71/79/05/415717905.db2.gz JITIJBKVYRIPNQ-LSDHHAIUSA-N 2 0 324.469 0.975 10 0 DCAERP Cn1cc([C@H]2CNCCN2C(=O)c2ccc3nccn3c2)cn1 ZINC000181397771 416205645 /nfs/dbraw/zinc/20/56/45/416205645.db2.gz WBYCTEUEAAZDRM-CQSZACIVSA-N 2 0 310.361 0.855 10 0 DCAERP C[NH+](C)CCN1C[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516766 416256487 /nfs/dbraw/zinc/25/64/87/416256487.db2.gz IAGFAQCEAOHEOP-KBPBESRZSA-N 2 0 322.453 0.140 10 0 DCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262276940 416336390 /nfs/dbraw/zinc/33/63/90/416336390.db2.gz JWYMBZCSFWDXQX-PMPSAXMXSA-N 2 0 310.486 0.894 10 0 DCAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422982095 416456154 /nfs/dbraw/zinc/45/61/54/416456154.db2.gz VMXIJLVGFVIWIB-ZWKOTPCHSA-N 2 0 321.465 0.967 10 0 DCAERP CC[NH+](CC)CC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459288975 416529793 /nfs/dbraw/zinc/52/97/93/416529793.db2.gz AETOBANSVCFULP-CYBMUJFWSA-N 2 0 310.442 0.981 10 0 DCAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000621776261 417294124 /nfs/dbraw/zinc/29/41/24/417294124.db2.gz HGCIHPRATHNREX-OAHLLOKOSA-N 2 0 303.414 0.833 10 0 DCAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261938410 276199405 /nfs/dbraw/zinc/19/94/05/276199405.db2.gz MNJARWUEBCCMHN-XMTFNYHQSA-N 2 0 324.513 0.759 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107283070 279088272 /nfs/dbraw/zinc/08/82/72/279088272.db2.gz UIPDXOFVIRTFLV-INIZCTEOSA-N 2 0 310.486 0.957 10 0 DCAERP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1[nH]nc2c1C[NH2+]CC2 ZINC000188981185 527650687 /nfs/dbraw/zinc/65/06/87/527650687.db2.gz JAEQRFPYXFGZKS-GFCCVEGCSA-N 2 0 321.425 0.022 10 0 DCAERP O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1[nH]nc2c1C[NH2+]CC2 ZINC000188981205 527651697 /nfs/dbraw/zinc/65/16/97/527651697.db2.gz JAEQRFPYXFGZKS-LBPRGKRZSA-N 2 0 321.425 0.022 10 0 DCAERP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000262072041 662016622 /nfs/dbraw/zinc/01/66/22/662016622.db2.gz KBQALMRCHOAUEE-OAHLLOKOSA-N 2 0 322.453 0.143 10 0 DCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090597 662054559 /nfs/dbraw/zinc/05/45/59/662054559.db2.gz UTJIZNJLMFRHBQ-ROUUACIJSA-N 2 0 324.513 0.713 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237237731 662113537 /nfs/dbraw/zinc/11/35/37/662113537.db2.gz TXHNJWCGZLBKCT-GJZGRUSLSA-N 2 0 317.437 0.691 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCS2(=O)=O)CC1 ZINC000929556566 664671971 /nfs/dbraw/zinc/67/19/71/664671971.db2.gz XYDYLXQLANHOEX-UKRRQHHQSA-N 2 0 318.483 0.588 10 0 DCAERP C[C@@H]1C[NH+]=C(NCC2(O)CC[NH+](Cc3ccccc3)CC2)N1 ZINC000397494558 685273018 /nfs/dbraw/zinc/27/30/18/685273018.db2.gz CRRXORCDPOJBAX-CQSZACIVSA-N 2 0 302.422 0.951 10 0 DCAERP COCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938356 685238065 /nfs/dbraw/zinc/23/80/65/685238065.db2.gz LDFIQVXXKAVICR-HOTGVXAUSA-N 2 0 305.422 0.989 10 0 DCAERP CN(CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386896743 685250773 /nfs/dbraw/zinc/25/07/73/685250773.db2.gz OGAZDXVAEXUQOG-OAHLLOKOSA-N 2 0 311.451 0.790 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000262390268 291039015 /nfs/dbraw/zinc/03/90/15/291039015.db2.gz PHAOXKBBIRDCAO-SOUVJXGZSA-N 2 0 322.453 0.140 10 0 DCAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000193598649 395773721 /nfs/dbraw/zinc/77/37/21/395773721.db2.gz KYWQSIWNGVSXKJ-AOOOYVTPSA-N 2 0 322.331 0.258 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000111825188 395814110 /nfs/dbraw/zinc/81/41/10/395814110.db2.gz KTFJNRABFYPQEZ-GOEBONIOSA-N 2 0 324.469 0.881 10 0 DCAERP CN(C)[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1ccco1 ZINC000246514146 395951873 /nfs/dbraw/zinc/95/18/73/395951873.db2.gz UYEBTHLLYIJYFZ-QWHCGFSZSA-N 2 0 310.398 0.512 10 0 DCAERP CC(C)C[N@H+]1CCc2nnc([C@@H]3CC[NH+](CCCO)C3)n2CC1 ZINC000257188806 396035402 /nfs/dbraw/zinc/03/54/02/396035402.db2.gz GIKNDUQHRSPMEF-OAHLLOKOSA-N 2 0 321.469 0.964 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)O1 ZINC000261675770 396055378 /nfs/dbraw/zinc/05/53/78/396055378.db2.gz AKDKEAONSBCXKI-KFWWJZLASA-N 2 0 311.426 0.064 10 0 DCAERP CC(=O)N1CCC([NH+]2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)CC1 ZINC000169789016 396093508 /nfs/dbraw/zinc/09/35/08/396093508.db2.gz YRFIFZMYKQFHHS-RDJZCZTQSA-N 2 0 309.454 0.537 10 0 DCAERP O=C(C[C@H]1COCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000262143667 396103493 /nfs/dbraw/zinc/10/34/93/396103493.db2.gz MPUZJBOILOFZEA-AWEZNQCLSA-N 2 0 304.394 0.545 10 0 DCAERP C[NH+](C)CCNC(=O)c1cccc(CNC2=[NH+]CCCN2)c1 ZINC000262147047 396104290 /nfs/dbraw/zinc/10/42/90/396104290.db2.gz QQLGEYTWFUSCNE-UHFFFAOYSA-N 2 0 303.410 0.417 10 0 DCAERP [NH3+]CC1(C(=O)N2CCN(c3ccccn3)CC2)CCOCC1 ZINC000261945010 396082854 /nfs/dbraw/zinc/08/28/54/396082854.db2.gz MBXIFLDHNHTAHS-UHFFFAOYSA-N 2 0 304.394 0.486 10 0 DCAERP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178319371 396193746 /nfs/dbraw/zinc/19/37/46/396193746.db2.gz ZTNDHAGXNONARG-ZDUSSCGKSA-N 2 0 307.398 0.892 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185373097 396326150 /nfs/dbraw/zinc/32/61/50/396326150.db2.gz DIEHECAKEWSFMR-OAHLLOKOSA-N 2 0 312.458 0.833 10 0 DCAERP CSC[C@@H](O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187857477 396375167 /nfs/dbraw/zinc/37/51/67/396375167.db2.gz GBDJRYCVFNFJIS-GJZGRUSLSA-N 2 0 301.500 0.812 10 0 DCAERP Cn1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(=O)n(C)c1=O ZINC000193080386 396443758 /nfs/dbraw/zinc/44/37/58/396443758.db2.gz PSOSLRVEJLVVDK-UHFFFAOYSA-N 2 0 320.437 0.392 10 0 DCAERP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@@H]21 ZINC000189732703 396398176 /nfs/dbraw/zinc/39/81/76/396398176.db2.gz NACVNLXDGONSHW-GJZGRUSLSA-N 2 0 315.483 0.828 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000121744492 158214276 /nfs/dbraw/zinc/21/42/76/158214276.db2.gz OXGCUWWBWFJMGF-GJZGRUSLSA-N 2 0 314.474 0.983 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000123160837 158226885 /nfs/dbraw/zinc/22/68/85/158226885.db2.gz GBTHDJBTOIUHOR-GJZGRUSLSA-N 2 0 314.474 0.983 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000130151667 158293206 /nfs/dbraw/zinc/29/32/06/158293206.db2.gz IPJMHGRVPDPATB-AWEZNQCLSA-N 2 0 317.437 0.563 10 0 DCAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000408096087 160035295 /nfs/dbraw/zinc/03/52/95/160035295.db2.gz VIBLOOCFKJIKSP-TZMCWYRMSA-N 2 0 303.472 0.588 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)Cn2cccn2)CC1 ZINC000247137553 287091269 /nfs/dbraw/zinc/09/12/69/287091269.db2.gz KUHDWRGMZOGWOQ-GOEBONIOSA-N 2 0 310.442 0.269 10 0 DCAERP C[C@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)CCN1CCO ZINC000249502640 287112095 /nfs/dbraw/zinc/11/20/95/287112095.db2.gz JEZLTFANJUOSRD-HOCLYGCPSA-N 2 0 305.422 0.814 10 0 DCAERP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353442942 415546630 /nfs/dbraw/zinc/54/66/30/415546630.db2.gz DOJFFEWVTZROKS-BRWVUGGUSA-N 2 0 308.470 0.613 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282404 415629282 /nfs/dbraw/zinc/62/92/82/415629282.db2.gz MACCDLRTUGVXCZ-OAHLLOKOSA-N 2 0 310.442 0.587 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000105283453 415630872 /nfs/dbraw/zinc/63/08/72/415630872.db2.gz ZAEVTCAJOCOYRM-CQSZACIVSA-N 2 0 307.398 0.560 10 0 DCAERP Cn1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333589172 415690155 /nfs/dbraw/zinc/69/01/55/415690155.db2.gz OVKRXJHNEKDGCE-OLZOCXBDSA-N 2 0 305.426 0.663 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000173504574 416060820 /nfs/dbraw/zinc/06/08/20/416060820.db2.gz SKBWYMPRPPZONC-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178263138 416161190 /nfs/dbraw/zinc/16/11/90/416161190.db2.gz PYUOQUVCSOPKDP-UMVBOHGHSA-N 2 0 317.499 0.976 10 0 DCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000390772695 417101895 /nfs/dbraw/zinc/10/18/95/417101895.db2.gz KQMSAPQUPDLYRZ-ARFHVFGLSA-N 2 0 303.406 0.348 10 0 DCAERP CN(CCC[NH+]1CCCC1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532212704 417667218 /nfs/dbraw/zinc/66/72/18/417667218.db2.gz CJDBKIZHGZGQJY-CVEARBPZSA-N 2 0 300.443 0.961 10 0 DCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362763333 262069422 /nfs/dbraw/zinc/06/94/22/262069422.db2.gz QVVGMMMLHPEASR-HNNXBMFYSA-N 2 0 310.486 0.861 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000246731695 278205697 /nfs/dbraw/zinc/20/56/97/278205697.db2.gz YJQCFGIABSAGKV-FPCVCCKLSA-N 2 0 308.470 0.659 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000261795238 545977951 /nfs/dbraw/zinc/97/79/51/545977951.db2.gz QKPXAHGXJHQJTE-HZPDHXFCSA-N 2 0 309.454 0.932 10 0 DCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC000333368111 546078686 /nfs/dbraw/zinc/07/86/86/546078686.db2.gz FCWJBJCIQCYBDG-UMVBOHGHSA-N 2 0 318.425 0.369 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262089815 662053980 /nfs/dbraw/zinc/05/39/80/662053980.db2.gz LHVDQQZCRCXARQ-INIZCTEOSA-N 2 0 318.421 0.524 10 0 DCAERP O=C(C[NH2+]C1CC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000154653532 665158730 /nfs/dbraw/zinc/15/87/30/665158730.db2.gz NSXRYDMMIOEZJS-INIZCTEOSA-N 2 0 303.406 0.616 10 0 DCAERP C[C@H](NS(=O)(=O)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209216 774153998 /nfs/dbraw/zinc/15/39/98/774153998.db2.gz AYBLOKLJMPLHDX-ZFWWWQNUSA-N 2 0 323.462 0.788 10 0 DCAERP COC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820518 237362025 /nfs/dbraw/zinc/36/20/25/237362025.db2.gz HKOATGFPDQMQIT-HZPDHXFCSA-N 2 0 300.443 0.864 10 0 DCAERP COCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000155555553 291220939 /nfs/dbraw/zinc/22/09/39/291220939.db2.gz HTIKSPVAQXAQHT-OAHLLOKOSA-N 2 0 314.474 0.984 10 0 DCAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000019995067 182175353 /nfs/dbraw/zinc/17/53/53/182175353.db2.gz AVDVXQRPPHLLMX-STQMWFEESA-N 2 0 321.487 0.375 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105134377 194077349 /nfs/dbraw/zinc/07/73/49/194077349.db2.gz IDQQDMSVSSAHDS-MRXNPFEDSA-N 2 0 324.469 0.979 10 0 DCAERP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238149201 395922075 /nfs/dbraw/zinc/92/20/75/395922075.db2.gz ZACVKDIQMQRODG-BPUTZDHNSA-N 2 0 309.454 0.870 10 0 DCAERP Cn1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000248199935 395983447 /nfs/dbraw/zinc/98/34/47/395983447.db2.gz YIZLNAGMYSRUAQ-JSGCOSHPSA-N 2 0 306.410 0.000 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248614415 395991177 /nfs/dbraw/zinc/99/11/77/395991177.db2.gz LPFUMDZXSRFRER-SOUVJXGZSA-N 2 0 314.474 0.813 10 0 DCAERP O=C(C[N@H+]1CCCC[C@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000069249461 396073435 /nfs/dbraw/zinc/07/34/35/396073435.db2.gz IPIOYUMLSXXFGC-HNNXBMFYSA-N 2 0 309.454 0.966 10 0 DCAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169789569 396093385 /nfs/dbraw/zinc/09/33/85/396093385.db2.gz MWUIRNRDQDACNO-HNNXBMFYSA-N 2 0 312.454 0.818 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828690 396098753 /nfs/dbraw/zinc/09/87/53/396098753.db2.gz UQTFCLZKZBOZCB-OAHLLOKOSA-N 2 0 311.474 0.358 10 0 DCAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172058 396106435 /nfs/dbraw/zinc/10/64/35/396106435.db2.gz QLZQWNUQTINIMT-OAHLLOKOSA-N 3 0 305.426 0.478 10 0 DCAERP CCc1ccc(CN2CCN(C(=O)[C@H]([NH3+])COC)CC2)s1 ZINC000262228690 396112735 /nfs/dbraw/zinc/11/27/35/396112735.db2.gz GNVNMKTWTKQSOJ-CQSZACIVSA-N 2 0 311.451 0.928 10 0 DCAERP CC[NH2+][C@H](C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262424752 396138834 /nfs/dbraw/zinc/13/88/34/396138834.db2.gz CHRCAJOAHNCWNY-CYBMUJFWSA-N 2 0 305.426 0.561 10 0 DCAERP COc1cc[nH+]c(N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000261917844 396079732 /nfs/dbraw/zinc/07/97/32/396079732.db2.gz UQDFBOHXDMJEIS-UHFFFAOYSA-N 2 0 320.393 0.247 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262638837 396165760 /nfs/dbraw/zinc/16/57/60/396165760.db2.gz JKMKDIBSBLKSGD-HZPDHXFCSA-N 2 0 305.422 0.783 10 0 DCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263284647 396211305 /nfs/dbraw/zinc/21/13/05/396211305.db2.gz UUERLBAUANPKJL-QWHCGFSZSA-N 2 0 319.396 0.943 10 0 DCAERP O[C@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000263313930 396213263 /nfs/dbraw/zinc/21/32/63/396213263.db2.gz ZDVCVFQKDYMLNK-AEFFLSMTSA-N 2 0 303.450 0.863 10 0 DCAERP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527751833 396547667 /nfs/dbraw/zinc/54/76/67/396547667.db2.gz CUKDPRLFLCUGPZ-JFIYKMOQSA-N 2 0 323.481 0.819 10 0 DCAERP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527751835 396547870 /nfs/dbraw/zinc/54/78/70/396547870.db2.gz CUKDPRLFLCUGPZ-SOLBZPMBSA-N 2 0 323.481 0.819 10 0 DCAERP [NH3+]C1(C(=O)N2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000132160552 158307817 /nfs/dbraw/zinc/30/78/17/158307817.db2.gz XQHMUNJICZIGDW-UHFFFAOYSA-N 2 0 309.435 0.900 10 0 DCAERP O=S(=O)([C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000190156309 158558364 /nfs/dbraw/zinc/55/83/64/158558364.db2.gz QPOQJZJAIRIAEN-CQSZACIVSA-N 2 0 301.456 0.486 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152398661 287041450 /nfs/dbraw/zinc/04/14/50/287041450.db2.gz MVWOUZLTUFAGMZ-ZBFHGGJFSA-N 2 0 314.474 0.719 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)Cn2cccn2)CC1 ZINC000247137527 287091273 /nfs/dbraw/zinc/09/12/73/287091273.db2.gz KUHDWRGMZOGWOQ-GDBMZVCRSA-N 2 0 310.442 0.269 10 0 DCAERP Nc1cc(N)[nH+]c(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000031820675 415187216 /nfs/dbraw/zinc/18/72/16/415187216.db2.gz SUNKROYXPHBHOQ-UHFFFAOYSA-N 2 0 322.438 0.476 10 0 DCAERP CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437458 415650287 /nfs/dbraw/zinc/65/02/87/415650287.db2.gz VOXBQLFMNSIXFV-HOTGVXAUSA-N 2 0 324.469 0.758 10 0 DCAERP CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000191902637 416291420 /nfs/dbraw/zinc/29/14/20/416291420.db2.gz GQNMJZQMFOYDMQ-UHFFFAOYSA-N 2 0 313.442 0.813 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799379 288107242 /nfs/dbraw/zinc/10/72/42/288107242.db2.gz MCWPVRCDUQEYQH-AAVRWANBSA-N 2 0 303.472 0.729 10 0 DCAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262182760 545980170 /nfs/dbraw/zinc/98/01/70/545980170.db2.gz WXYNDANWQZWRQI-VNQPRFMTSA-N 2 0 305.422 0.294 10 0 DCAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193640931 658698457 /nfs/dbraw/zinc/69/84/57/658698457.db2.gz ZWWYQPYTPGLHJX-HIFRSBDPSA-N 2 0 317.437 0.704 10 0 DCAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1)[NH2+]2 ZINC000709312054 667445003 /nfs/dbraw/zinc/44/50/03/667445003.db2.gz HKPKCHKOTJUTNS-SCUASFONSA-N 2 0 301.456 0.529 10 0 DCAERP C[C@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000405097279 774148917 /nfs/dbraw/zinc/14/89/17/774148917.db2.gz TWDCWYRSRNMRFD-GXTWGEPZSA-N 2 0 309.435 0.541 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccco2)CC1 ZINC000105862124 194149163 /nfs/dbraw/zinc/14/91/63/194149163.db2.gz FDUQQMROMJWEIS-AWEZNQCLSA-N 2 0 323.437 0.920 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090950793 395720017 /nfs/dbraw/zinc/72/00/17/395720017.db2.gz DKFNCNMMNVQWCA-UHFFFAOYSA-N 2 0 312.439 0.439 10 0 DCAERP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261802899 396067894 /nfs/dbraw/zinc/06/78/94/396067894.db2.gz LGLBKFZVSNTSAD-HOTGVXAUSA-N 2 0 309.454 0.947 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000262255554 396115885 /nfs/dbraw/zinc/11/58/85/396115885.db2.gz LVSQQLCFBPANEN-CVEARBPZSA-N 2 0 319.453 0.571 10 0 DCAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262351451 396129027 /nfs/dbraw/zinc/12/90/27/396129027.db2.gz ULCUMJJHMFQZLV-OAGGEKHMSA-N 2 0 319.453 0.666 10 0 DCAERP CN1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261941861 396081728 /nfs/dbraw/zinc/08/17/28/396081728.db2.gz DULCWVNLZWZORP-GOSISDBHSA-N 2 0 322.497 0.862 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176098571 396149611 /nfs/dbraw/zinc/14/96/11/396149611.db2.gz YRUWDHOMCNSFRB-HNNXBMFYSA-N 2 0 323.441 0.944 10 0 DCAERP CS[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000262828268 396185564 /nfs/dbraw/zinc/18/55/64/396185564.db2.gz YZPIDGWTEONBSE-RYUDHWBXSA-N 2 0 309.439 0.173 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185373073 396325884 /nfs/dbraw/zinc/32/58/84/396325884.db2.gz DIEHECAKEWSFMR-HNNXBMFYSA-N 2 0 312.458 0.833 10 0 DCAERP CSC[C@@H](O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187857446 396375180 /nfs/dbraw/zinc/37/51/80/396375180.db2.gz GBDJRYCVFNFJIS-CABCVRRESA-N 2 0 301.500 0.812 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779438 396386373 /nfs/dbraw/zinc/38/63/73/396386373.db2.gz RSZJBRKFJFQFGB-BXUZGUMPSA-N 2 0 305.426 0.858 10 0 DCAERP c1nnc2ccc(N3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)nn12 ZINC000629524605 396776997 /nfs/dbraw/zinc/77/69/97/396776997.db2.gz TWVIQXUJMBUBBB-RBKKPWLPSA-N 2 0 313.409 0.576 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000606703388 397686791 /nfs/dbraw/zinc/68/67/91/397686791.db2.gz UBIJTNJHCAMLRS-OAHLLOKOSA-N 2 0 303.410 0.699 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075718618 158063375 /nfs/dbraw/zinc/06/33/75/158063375.db2.gz SVVVEVBXSMYUSD-GOSISDBHSA-N 2 0 324.513 0.811 10 0 DCAERP COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513821 158147286 /nfs/dbraw/zinc/14/72/86/158147286.db2.gz KAMACRXKINGWQF-ZIAGYGMSSA-N 2 0 313.442 0.574 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)O)C1 ZINC000114727995 158155991 /nfs/dbraw/zinc/15/59/91/158155991.db2.gz WAVMTLPNQXTMGX-CQSZACIVSA-N 2 0 315.458 0.162 10 0 DCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171750173 158386757 /nfs/dbraw/zinc/38/67/57/158386757.db2.gz HLLFEHPFVFNCQD-HNNXBMFYSA-N 2 0 323.485 0.502 10 0 DCAERP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171906782 158388164 /nfs/dbraw/zinc/38/81/64/158388164.db2.gz CXLPMHGLDZSMJW-INIZCTEOSA-N 2 0 324.469 0.977 10 0 DCAERP C[C@H](O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000248737842 287100743 /nfs/dbraw/zinc/10/07/43/287100743.db2.gz PDKZIOGLKHPIGE-KBPBESRZSA-N 2 0 309.454 0.774 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302449 415603768 /nfs/dbraw/zinc/60/37/68/415603768.db2.gz JAYLQRJPKXRNEF-JSGCOSHPSA-N 2 0 300.472 0.865 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333417896 415643445 /nfs/dbraw/zinc/64/34/45/415643445.db2.gz SCXQKDPQFKAZHC-BMFZPTHFSA-N 2 0 324.469 0.758 10 0 DCAERP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000180124283 416194379 /nfs/dbraw/zinc/19/43/79/416194379.db2.gz GMCSMYOGICPWOM-UHFFFAOYSA-N 2 0 320.437 0.392 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358182109 416206863 /nfs/dbraw/zinc/20/68/63/416206863.db2.gz CPYPVXNRDOGHSU-UHFFFAOYSA-N 2 0 312.458 0.906 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000358665613 416264701 /nfs/dbraw/zinc/26/47/01/416264701.db2.gz MTUJJFXCTMDHBY-OAHLLOKOSA-N 2 0 310.442 0.610 10 0 DCAERP C[N@@H+]1CCC[C@H](CCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000459263761 416528725 /nfs/dbraw/zinc/52/87/25/416528725.db2.gz MJKMWJPOYMRSBW-CQSZACIVSA-N 2 0 305.426 0.947 10 0 DCAERP C[C@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545318010 416672863 /nfs/dbraw/zinc/67/28/63/416672863.db2.gz KRFDBWCGUMVNEL-ZDUSSCGKSA-N 2 0 306.476 0.141 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638835312 417567406 /nfs/dbraw/zinc/56/74/06/417567406.db2.gz KIDBRGFMYFALIQ-XLNGHYISSA-N 2 0 317.433 0.594 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185366518 279156876 /nfs/dbraw/zinc/15/68/76/279156876.db2.gz XULHJHFBWIEEQG-RBSFLKMASA-N 2 0 314.474 0.813 10 0 DCAERP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000550492689 288216520 /nfs/dbraw/zinc/21/65/20/288216520.db2.gz GGYGUDDJRGDKNV-UHFFFAOYSA-N 2 0 312.458 0.387 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333433363 297106295 /nfs/dbraw/zinc/10/62/95/297106295.db2.gz UZESQKHGRIOXCY-DYEKYZERSA-N 2 0 300.472 0.721 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000120359500 536418923 /nfs/dbraw/zinc/41/89/23/536418923.db2.gz ZMERCKCDXFHHMC-AWEZNQCLSA-N 2 0 303.410 0.315 10 0 DCAERP COC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886084622 667730161 /nfs/dbraw/zinc/73/01/61/667730161.db2.gz QRNXXEHXVKWQHB-GOEBONIOSA-N 2 0 309.410 0.604 10 0 DCAERP CN1CC[NH+]=C1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397514228 685272590 /nfs/dbraw/zinc/27/25/90/685272590.db2.gz QZGPHAAHHZJDSB-UHFFFAOYSA-N 2 0 302.422 0.905 10 0 DCAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797443 282121957 /nfs/dbraw/zinc/12/19/57/282121957.db2.gz PLPNSAULLQDFEM-KBPBESRZSA-N 2 0 303.472 0.542 10 0 DCAERP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333719426 295802660 /nfs/dbraw/zinc/80/26/60/295802660.db2.gz UIEIJLIJDSAMRH-WCXIOVBPSA-N 2 0 314.433 0.993 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)CCC[NH2+]C)cn2)CC1 ZINC000236895379 202058609 /nfs/dbraw/zinc/05/86/09/202058609.db2.gz FIUZTSXTJYARQC-UHFFFAOYSA-N 2 0 319.453 0.839 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000105174181 194081555 /nfs/dbraw/zinc/08/15/55/194081555.db2.gz BCMAMUCWNHBHIR-CQSZACIVSA-N 2 0 300.447 0.690 10 0 DCAERP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261984677 396087280 /nfs/dbraw/zinc/08/72/80/396087280.db2.gz CHWXCCVAQSSUQA-WMLDXEAASA-N 2 0 311.470 0.975 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262647226 396167509 /nfs/dbraw/zinc/16/75/09/396167509.db2.gz ORNBIUCLADJHBJ-TWMKSMIVSA-N 2 0 322.497 0.907 10 0 DCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262928104 396192285 /nfs/dbraw/zinc/19/22/85/396192285.db2.gz ZYEUCRQQUYCBHS-ZFWWWQNUSA-N 2 0 317.437 0.561 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H](C)C1 ZINC000188779412 396386807 /nfs/dbraw/zinc/38/68/07/396386807.db2.gz RSZJBRKFJFQFGB-RISCZKNCSA-N 2 0 305.426 0.858 10 0 DCAERP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000332987788 396912308 /nfs/dbraw/zinc/91/23/08/396912308.db2.gz ZVBBFCTVYGNFDW-DSJMHWKBSA-N 2 0 324.469 0.708 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000074617046 158060045 /nfs/dbraw/zinc/06/00/45/158060045.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 2 0 312.458 0.834 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075718619 158063241 /nfs/dbraw/zinc/06/32/41/158063241.db2.gz SVVVEVBXSMYUSD-SFHVURJKSA-N 2 0 324.513 0.811 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129953832 158292616 /nfs/dbraw/zinc/29/26/16/158292616.db2.gz IHHCNXWNEAJGSN-GJZGRUSLSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907913 158388633 /nfs/dbraw/zinc/38/86/33/158388633.db2.gz ZAIUQPGQNXJTGP-HUUCEWRRSA-N 2 0 309.458 0.112 10 0 DCAERP C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000246153093 287077638 /nfs/dbraw/zinc/07/76/38/287077638.db2.gz DDXHYSFYZHUJEK-HUUCEWRRSA-N 2 0 317.499 0.932 10 0 DCAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000049175440 415304145 /nfs/dbraw/zinc/30/41/45/415304145.db2.gz UUZPBVITWWYDMH-MRXNPFEDSA-N 2 0 324.469 0.759 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111867587 415701433 /nfs/dbraw/zinc/70/14/33/415701433.db2.gz SQAAFWPUKOXFFO-JKSUJKDBSA-N 2 0 324.469 0.977 10 0 DCAERP C[C@@H](CNC(=O)[C@H]1CCCn2ccnc21)C[NH+]1CCN(C)CC1 ZINC000176298989 416124568 /nfs/dbraw/zinc/12/45/68/416124568.db2.gz CWKJCDGZIONOBB-GJZGRUSLSA-N 2 0 319.453 0.760 10 0 DCAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237992392 416329662 /nfs/dbraw/zinc/32/96/62/416329662.db2.gz CAZPWSSLWIYRAJ-JKSUJKDBSA-N 2 0 321.465 0.947 10 0 DCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788145 417362275 /nfs/dbraw/zinc/36/22/75/417362275.db2.gz QTQQCEORFYRTOG-HOCLYGCPSA-N 2 0 305.422 0.859 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638837543 417567067 /nfs/dbraw/zinc/56/70/67/417567067.db2.gz ZPDROMBBANKNPG-KBMXLJTQSA-N 2 0 305.422 0.844 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000246105995 281197511 /nfs/dbraw/zinc/19/75/11/281197511.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 2 0 312.458 0.833 10 0 DCAERP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064430 288368737 /nfs/dbraw/zinc/36/87/37/288368737.db2.gz ATBOTIBCPDJCFD-CQSZACIVSA-N 2 0 312.458 0.245 10 0 DCAERP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262115649 545979667 /nfs/dbraw/zinc/97/96/67/545979667.db2.gz FPUWOYUNIQUAGQ-JYJNAYRXSA-N 2 0 305.422 0.766 10 0 DCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1CC[NH3+] ZINC000723890011 657722469 /nfs/dbraw/zinc/72/24/69/657722469.db2.gz DDKRMWSWSYKYHD-HZSPNIEDSA-N 2 0 303.472 0.575 10 0 DCAERP O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000390702319 685260231 /nfs/dbraw/zinc/26/02/31/685260231.db2.gz DMNDKDXKTLCZKQ-HOTGVXAUSA-N 2 0 323.462 0.932 10 0 DCAERP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000113104656 685115483 /nfs/dbraw/zinc/11/54/83/685115483.db2.gz HUGYLBWNUBLXIY-UONOGXRCSA-N 2 0 301.456 0.628 10 0 DCAERP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000133722541 685120988 /nfs/dbraw/zinc/12/09/88/685120988.db2.gz JUKIDVQCCCWAPQ-CYBMUJFWSA-N 2 0 303.472 0.922 10 0 DCAERP O=S(=O)(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405103820 774150880 /nfs/dbraw/zinc/15/08/80/774150880.db2.gz AHCMAIXWZWBWNU-HNNXBMFYSA-N 2 0 323.462 0.932 10 0 DCAERP CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333939154 252777894 /nfs/dbraw/zinc/77/78/94/252777894.db2.gz MZGLLENCQLXLIJ-ILXRZTDVSA-N 2 0 312.458 0.471 10 0 DCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333121570 285320596 /nfs/dbraw/zinc/32/05/96/285320596.db2.gz ANTRMYPZXHSQHB-CABCVRRESA-N 2 0 311.474 0.263 10 0 DCAERP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202873 395906502 /nfs/dbraw/zinc/90/65/02/395906502.db2.gz KZFCZTLKUADQEP-JYJNAYRXSA-N 2 0 308.470 0.661 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246825012 395958846 /nfs/dbraw/zinc/95/88/46/395958846.db2.gz DPPRNUZMXDKMOH-UONOGXRCSA-N 2 0 300.447 0.593 10 0 DCAERP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246864942 395959682 /nfs/dbraw/zinc/95/96/82/395959682.db2.gz PUMURBLSIDVRSL-USXIJHARSA-N 2 0 321.465 0.918 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248602770 395990169 /nfs/dbraw/zinc/99/01/69/395990169.db2.gz JIBIIJBGPALWNF-KKUMJFAQSA-N 2 0 312.458 0.567 10 0 DCAERP C[C@H](CNC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000175760060 396141765 /nfs/dbraw/zinc/14/17/65/396141765.db2.gz JKLRESDPYNHMHN-FMKPAKJESA-N 2 0 324.469 0.831 10 0 DCAERP CC[N@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000171250980 396111611 /nfs/dbraw/zinc/11/16/11/396111611.db2.gz JLQUBOVANFWJRE-HNNXBMFYSA-N 2 0 312.458 0.617 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171908499 396127392 /nfs/dbraw/zinc/12/73/92/396127392.db2.gz YYTZRPKWUMVGAI-INIZCTEOSA-N 2 0 324.469 0.977 10 0 DCAERP O=S(=O)(C1CC1)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000261900324 396077632 /nfs/dbraw/zinc/07/76/32/396077632.db2.gz YNZSWIACLGCKFM-UHFFFAOYSA-N 2 0 301.456 0.486 10 0 DCAERP C[NH+](C)CCOc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261906901 396078216 /nfs/dbraw/zinc/07/82/16/396078216.db2.gz SLLABHHQCWQCJD-UHFFFAOYSA-N 2 0 321.421 0.751 10 0 DCAERP CS[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000262828270 396185637 /nfs/dbraw/zinc/18/56/37/396185637.db2.gz YZPIDGWTEONBSE-VXGBXAGGSA-N 2 0 309.439 0.173 10 0 DCAERP Cn1ccnc1CC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471844 396223958 /nfs/dbraw/zinc/22/39/58/396223958.db2.gz WIJHSWCDYISNLM-OAHLLOKOSA-N 2 0 319.453 0.639 10 0 DCAERP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188937162 396388422 /nfs/dbraw/zinc/38/84/22/396388422.db2.gz IOUVCIGPEFRZCV-GXTWGEPZSA-N 2 0 301.406 0.646 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)NCC[NH+]1CCCCC1 ZINC000121475220 158211861 /nfs/dbraw/zinc/21/18/61/158211861.db2.gz FYYPRABYYCQXTQ-UHFFFAOYSA-N 2 0 312.458 0.884 10 0 DCAERP C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000408381476 160096074 /nfs/dbraw/zinc/09/60/74/160096074.db2.gz KYNXIONLQRBIIU-STQMWFEESA-N 2 0 309.454 0.963 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000247486029 287094406 /nfs/dbraw/zinc/09/44/06/287094406.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 2 0 312.458 0.738 10 0 DCAERP C[C@H](O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000248737846 287100936 /nfs/dbraw/zinc/10/09/36/287100936.db2.gz PDKZIOGLKHPIGE-KGLIPLIRSA-N 2 0 309.454 0.774 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079391960 415470861 /nfs/dbraw/zinc/47/08/61/415470861.db2.gz XAQQCNYYHQEVJI-HNNXBMFYSA-N 2 0 324.469 0.882 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000105282407 415630855 /nfs/dbraw/zinc/63/08/55/415630855.db2.gz MACCDLRTUGVXCZ-HNNXBMFYSA-N 2 0 310.442 0.587 10 0 DCAERP CN1CCC(CNC(=O)[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000178891180 416176348 /nfs/dbraw/zinc/17/63/48/416176348.db2.gz WIDLISQXDHPCQQ-HNNXBMFYSA-N 2 0 308.470 0.805 10 0 DCAERP COC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820446 416263435 /nfs/dbraw/zinc/26/34/35/416263435.db2.gz HKOATGFPDQMQIT-HOTGVXAUSA-N 2 0 300.443 0.864 10 0 DCAERP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000358681957 416268299 /nfs/dbraw/zinc/26/82/99/416268299.db2.gz QNLKGZHHWWSFOD-HOTGVXAUSA-N 2 0 324.469 0.735 10 0 DCAERP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1CCOC1 ZINC000363990449 262138308 /nfs/dbraw/zinc/13/83/08/262138308.db2.gz JBYLLDSNQAKRJN-CQSZACIVSA-N 2 0 307.442 0.749 10 0 DCAERP COCC[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000261725103 277241916 /nfs/dbraw/zinc/24/19/16/277241916.db2.gz LLSYJTQMRXBPSN-LZLYRXPVSA-N 2 0 317.433 0.956 10 0 DCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000179855051 290084296 /nfs/dbraw/zinc/08/42/96/290084296.db2.gz LUFBZMZZOMLUOR-WFASDCNBSA-N 2 0 301.406 0.239 10 0 DCAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012553 526656466 /nfs/dbraw/zinc/65/64/66/526656466.db2.gz NLHIEIKICFGKGW-CVEARBPZSA-N 2 0 303.406 0.621 10 0 DCAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262182753 545980429 /nfs/dbraw/zinc/98/04/29/545980429.db2.gz WXYNDANWQZWRQI-BMFZPTHFSA-N 2 0 305.422 0.294 10 0 DCAERP C[C@@H]1C[C@H](C)N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000333315636 659779180 /nfs/dbraw/zinc/77/91/80/659779180.db2.gz STKHHZVKPODGTD-ILXRZTDVSA-N 2 0 319.453 0.794 10 0 DCAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262167014 662131702 /nfs/dbraw/zinc/13/17/02/662131702.db2.gz UMXZQIIYBIRIDI-NDBYEHHHSA-N 2 0 320.380 0.914 10 0 DCAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CSC(=O)N1 ZINC000155993580 669836917 /nfs/dbraw/zinc/83/69/17/669836917.db2.gz YJXNWPFIZIWZAG-GFCCVEGCSA-N 2 0 316.471 0.543 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000250612344 685184876 /nfs/dbraw/zinc/18/48/76/685184876.db2.gz MYXWZXVOMYAXOR-RDBSUJKOSA-N 2 0 301.456 0.484 10 0 DCAERP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333719423 295802757 /nfs/dbraw/zinc/80/27/57/295802757.db2.gz UIEIJLIJDSAMRH-VVLHAWIVSA-N 2 0 314.433 0.993 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000105862554 296181244 /nfs/dbraw/zinc/18/12/44/296181244.db2.gz RAJWIQOLEQAOOW-CYBMUJFWSA-N 2 0 311.426 0.160 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246755571 285023938 /nfs/dbraw/zinc/02/39/38/285023938.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 2 0 324.469 0.975 10 0 DCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000118107380 395859767 /nfs/dbraw/zinc/85/97/67/395859767.db2.gz MEWLJGYMXRIUEL-HNNXBMFYSA-N 2 0 318.421 0.897 10 0 DCAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237156831 395904368 /nfs/dbraw/zinc/90/43/68/395904368.db2.gz WZIIHKCWOOQYKW-JKSUJKDBSA-N 2 0 310.486 0.894 10 0 DCAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H](C)N1CCOCC1 ZINC000247222199 395969593 /nfs/dbraw/zinc/96/95/93/395969593.db2.gz CBDGAWAJWLKPRG-KKUMJFAQSA-N 2 0 310.442 0.585 10 0 DCAERP C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(c1cc[nH+]cc1)C2 ZINC000065462186 395993942 /nfs/dbraw/zinc/99/39/42/395993942.db2.gz DLAHOSSDFCIUHC-UHFFFAOYSA-N 2 0 314.393 0.590 10 0 DCAERP Cn1cc(C(=O)NCC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261693550 396056839 /nfs/dbraw/zinc/05/68/39/396056839.db2.gz BOPXTFKKQWINRP-QGZVFWFLSA-N 2 0 319.453 0.862 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000262080258 396096895 /nfs/dbraw/zinc/09/68/95/396096895.db2.gz CIZRCQRTADGNBQ-JONQDZQNSA-N 2 0 319.453 0.712 10 0 DCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258658 396116050 /nfs/dbraw/zinc/11/60/50/396116050.db2.gz MBLREZPJAQOAMJ-HNNXBMFYSA-N 2 0 319.453 0.952 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000262321095 396123638 /nfs/dbraw/zinc/12/36/38/396123638.db2.gz CSDGOHBQNLLXOH-XHSDSOJGSA-N 2 0 309.454 0.945 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171904764 396127499 /nfs/dbraw/zinc/12/74/99/396127499.db2.gz LYTBLVPBSGEJDH-OAHLLOKOSA-N 2 0 310.442 0.587 10 0 DCAERP CNC(=O)c1ccn([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261944083 396082779 /nfs/dbraw/zinc/08/27/79/396082779.db2.gz FAFBNPYXSDOPSD-CJNGLKHVSA-N 2 0 305.426 0.879 10 0 DCAERP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000263256483 396209569 /nfs/dbraw/zinc/20/95/69/396209569.db2.gz QYXORPUOLZNOKX-KKNUOHPOSA-N 2 0 322.453 0.030 10 0 DCAERP COc1ccccc1-n1nccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263279443 396211255 /nfs/dbraw/zinc/21/12/55/396211255.db2.gz TZLVSMBPKGNOMV-IUODEOHRSA-N 2 0 302.378 0.551 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000262942532 396193054 /nfs/dbraw/zinc/19/30/54/396193054.db2.gz ADCHPSPCRWBPQT-NFAWXSAZSA-N 2 0 312.458 0.275 10 0 DCAERP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000189367010 396394221 /nfs/dbraw/zinc/39/42/21/396394221.db2.gz CBJXYZJAZUHGAW-CQSZACIVSA-N 2 0 300.447 0.690 10 0 DCAERP CC(C)[NH+](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C(C)C ZINC000380892532 397270724 /nfs/dbraw/zinc/27/07/24/397270724.db2.gz FTJWDNDANPKBSZ-CYBMUJFWSA-N 2 0 307.460 0.013 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000114456491 158153296 /nfs/dbraw/zinc/15/32/96/158153296.db2.gz ZTVLZGMONLOGEC-UONOGXRCSA-N 2 0 324.469 0.561 10 0 DCAERP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202907 158637452 /nfs/dbraw/zinc/63/74/52/158637452.db2.gz KZFCZTLKUADQEP-PMPSAXMXSA-N 2 0 308.470 0.661 10 0 DCAERP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249463469 287111216 /nfs/dbraw/zinc/11/12/16/287111216.db2.gz GATSDPABCOLERS-YRGRVCCFSA-N 2 0 303.472 0.586 10 0 DCAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333417902 415645236 /nfs/dbraw/zinc/64/52/36/415645236.db2.gz SCXQKDPQFKAZHC-NUEKZKHPSA-N 2 0 324.469 0.758 10 0 DCAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595237 415693801 /nfs/dbraw/zinc/69/38/01/415693801.db2.gz BKNNFXXBXJPEAM-AICCOOGYSA-N 2 0 312.458 0.327 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113595642 415718026 /nfs/dbraw/zinc/71/80/26/415718026.db2.gz XPMTWMYIBLRHRW-LSDHHAIUSA-N 2 0 312.458 0.833 10 0 DCAERP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333809340 415744233 /nfs/dbraw/zinc/74/42/33/415744233.db2.gz IYWJYFSIHBLFQM-KGLIPLIRSA-N 2 0 312.458 0.615 10 0 DCAERP CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000164923730 416018237 /nfs/dbraw/zinc/01/82/37/416018237.db2.gz OOFUADMZEAENIO-CVEARBPZSA-N 2 0 317.433 0.662 10 0 DCAERP c1cncc(C[NH2+]CCCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423186338 416476391 /nfs/dbraw/zinc/47/63/91/416476391.db2.gz LAZJFGHZCARHPM-SJORKVTESA-N 2 0 304.438 0.918 10 0 DCAERP CC1(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844528 417085760 /nfs/dbraw/zinc/08/57/60/417085760.db2.gz VPCHBIYFHZTTRF-HNNXBMFYSA-N 2 0 303.406 0.756 10 0 DCAERP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643774021 417348175 /nfs/dbraw/zinc/34/81/75/417348175.db2.gz FQJJZYOFXIOLDA-DLBZAZTESA-N 2 0 317.433 0.955 10 0 DCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000117470164 523232643 /nfs/dbraw/zinc/23/26/43/523232643.db2.gz MPHCOAVXAPEVAU-HNNXBMFYSA-N 2 0 312.458 0.833 10 0 DCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000162197165 658090756 /nfs/dbraw/zinc/09/07/56/658090756.db2.gz NHYJKESUSGVFDP-OAHLLOKOSA-N 2 0 309.454 0.920 10 0 DCAERP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261829393 661734450 /nfs/dbraw/zinc/73/44/50/661734450.db2.gz KVSWITFIIHWKSC-LSDHHAIUSA-N 2 0 322.453 0.189 10 0 DCAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1)[NH2+]2 ZINC000709312050 667445080 /nfs/dbraw/zinc/44/50/80/667445080.db2.gz HKPKCHKOTJUTNS-DEQVHRJGSA-N 2 0 301.456 0.529 10 0 DCAERP C[C@@H](CCNS(=O)(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000405204765 774153933 /nfs/dbraw/zinc/15/39/33/774153933.db2.gz WEXIAZFTCAVHSI-ZDUSSCGKSA-N 2 0 311.451 0.788 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261959895 283513886 /nfs/dbraw/zinc/51/38/86/283513886.db2.gz JWUBDFHUKJEFHC-QLFBSQMISA-N 2 0 322.453 0.032 10 0 DCAERP NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000284883010 131119555 /nfs/dbraw/zinc/11/95/55/131119555.db2.gz QSUPTZKEPQIVPQ-HNNXBMFYSA-N 2 0 301.350 0.080 10 0 DCAERP CC(C)N1NC(=C2C=c3cc(O)ccc3=[NH+]2)c2c1[nH+]cnc2N ZINC000139045302 395953521 /nfs/dbraw/zinc/95/35/21/395953521.db2.gz MTICIDWIKCANDD-OWBHPGMISA-N 2 0 308.345 0.280 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246972131 395962901 /nfs/dbraw/zinc/96/29/01/395962901.db2.gz GBTHDJBTOIUHOR-HUUCEWRRSA-N 2 0 314.474 0.983 10 0 DCAERP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970648 /nfs/dbraw/zinc/97/06/48/395970648.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 2 0 306.410 0.000 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696257 396057586 /nfs/dbraw/zinc/05/75/86/396057586.db2.gz JQDZIWGWTQMNPR-OCCSQVGLSA-N 2 0 318.425 0.511 10 0 DCAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158199136 396064473 /nfs/dbraw/zinc/06/44/73/396064473.db2.gz NOVHERDMPYTWKW-NSHDSACASA-N 2 0 311.348 0.299 10 0 DCAERP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394796 396008037 /nfs/dbraw/zinc/00/80/37/396008037.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 0 324.469 0.386 10 0 DCAERP C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382093 396014276 /nfs/dbraw/zinc/01/42/76/396014276.db2.gz JLCSDIDSWKMMKT-JKXDFHQYSA-N 2 0 315.483 0.873 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)O1 ZINC000262045083 396093396 /nfs/dbraw/zinc/09/33/96/396093396.db2.gz QMPSNINFMZLYGD-QXSJWSMHSA-N 2 0 321.396 0.894 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000262080261 396097127 /nfs/dbraw/zinc/09/71/27/396097127.db2.gz CIZRCQRTADGNBQ-QXSJWSMHSA-N 2 0 319.453 0.712 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262400635 396135610 /nfs/dbraw/zinc/13/56/10/396135610.db2.gz ODJXHSMJVVZDFA-GJZGRUSLSA-N 2 0 324.469 0.387 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCSC1 ZINC000261901809 396077262 /nfs/dbraw/zinc/07/72/62/396077262.db2.gz WNRIROSBOSRODA-JSGCOSHPSA-N 2 0 301.456 0.294 10 0 DCAERP C[C@@H]1[NH2+]CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000262789592 396182208 /nfs/dbraw/zinc/18/22/08/396182208.db2.gz MYAYKJJUNGIKQD-KBPBESRZSA-N 2 0 317.437 0.656 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000167260553 158368410 /nfs/dbraw/zinc/36/84/10/158368410.db2.gz RWKGQKGNAFOUIW-MRXNPFEDSA-N 2 0 317.433 0.710 10 0 DCAERP CN(CC(=O)NCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589958 158384872 /nfs/dbraw/zinc/38/48/72/158384872.db2.gz QKEKMACKLPODKD-UHFFFAOYSA-N 2 0 319.453 0.806 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000245593923 287071225 /nfs/dbraw/zinc/07/12/25/287071225.db2.gz BMANCHBXASVJAZ-LSDHHAIUSA-N 2 0 312.458 0.881 10 0 DCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000249206377 287107761 /nfs/dbraw/zinc/10/77/61/287107761.db2.gz VZIZIIXLSLYVAA-HUUCEWRRSA-N 2 0 312.458 0.737 10 0 DCAERP CC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)[NH+](C)C ZINC000164436394 416016730 /nfs/dbraw/zinc/01/67/30/416016730.db2.gz GLFQSSBQZQHRDR-QWHCGFSZSA-N 2 0 320.441 0.944 10 0 DCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000189015152 416264150 /nfs/dbraw/zinc/26/41/50/416264150.db2.gz ZJTGPKDFWNFTBZ-TUVASFSCSA-N 2 0 322.453 0.043 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237663270 416328530 /nfs/dbraw/zinc/32/85/30/416328530.db2.gz KXVSYHROUGFFMO-UGUYLWEFSA-N 2 0 308.470 0.659 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1 ZINC000458673132 416489471 /nfs/dbraw/zinc/48/94/71/416489471.db2.gz VWCMIWDUKRAYOP-MRXNPFEDSA-N 2 0 324.469 0.784 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000535260892 416520142 /nfs/dbraw/zinc/52/01/42/416520142.db2.gz HYSQPENNROJVSG-GJZGRUSLSA-N 2 0 303.410 0.841 10 0 DCAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439052374 416605356 /nfs/dbraw/zinc/60/53/56/416605356.db2.gz WUSSTWIMHGUOQG-MRXNPFEDSA-N 2 0 320.437 0.825 10 0 DCAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649279146 418219463 /nfs/dbraw/zinc/21/94/63/418219463.db2.gz ZGCIMZGVIYOIJD-HZPDHXFCSA-N 2 0 303.406 0.613 10 0 DCAERP CC[N@H+](CCO)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187377859 261123755 /nfs/dbraw/zinc/12/37/55/261123755.db2.gz DNABFOUZBLSOQI-UHFFFAOYSA-N 2 0 314.474 0.720 10 0 DCAERP CC(C)[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000333887517 280243641 /nfs/dbraw/zinc/24/36/41/280243641.db2.gz GDWUZYPIPHFXFD-GJZGRUSLSA-N 2 0 311.474 0.262 10 0 DCAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000236923508 520754520 /nfs/dbraw/zinc/75/45/20/520754520.db2.gz FCZCBBPUPBKFNA-HOTGVXAUSA-N 2 0 305.422 0.867 10 0 DCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186956199 528500053 /nfs/dbraw/zinc/50/00/53/528500053.db2.gz IJRQCVNROZRRNO-OAHLLOKOSA-N 2 0 314.474 0.984 10 0 DCAERP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262115667 545979045 /nfs/dbraw/zinc/97/90/45/545979045.db2.gz FPUWOYUNIQUAGQ-PMPSAXMXSA-N 2 0 305.422 0.766 10 0 DCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262146538 662112188 /nfs/dbraw/zinc/11/21/88/662112188.db2.gz HNPHUVZNTYMFLO-HNNXBMFYSA-N 2 0 309.454 0.932 10 0 DCAERP Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719293297 685309368 /nfs/dbraw/zinc/30/93/68/685309368.db2.gz IULQDQSQYZPTIZ-HNNXBMFYSA-N 2 0 313.405 0.883 10 0 DCAERP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+](C)C1CC1 ZINC000105267463 194091601 /nfs/dbraw/zinc/09/16/01/194091601.db2.gz VJMWESOKVLFJTK-ZFWWWQNUSA-N 2 0 312.458 0.615 10 0 DCAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247147683 296389414 /nfs/dbraw/zinc/38/94/14/296389414.db2.gz PQXDUBWXDOWOGE-CABCVRRESA-N 2 0 312.458 0.690 10 0 DCAERP CC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111790268 395813673 /nfs/dbraw/zinc/81/36/73/395813673.db2.gz MVJSOXSDFSRXOM-AWEZNQCLSA-N 2 0 300.447 0.738 10 0 DCAERP CC(C)[N@H+](C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112403970 395817237 /nfs/dbraw/zinc/81/72/37/395817237.db2.gz JAOVCIIGUUCVNY-UHFFFAOYSA-N 2 0 319.453 0.903 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@H]21 ZINC000248962680 396001237 /nfs/dbraw/zinc/00/12/37/396001237.db2.gz NACVNLXDGONSHW-HUUCEWRRSA-N 2 0 315.483 0.828 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249123255 396003156 /nfs/dbraw/zinc/00/31/56/396003156.db2.gz CCFYBFHAJPXKIW-GJZGRUSLSA-N 2 0 315.483 0.971 10 0 DCAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262172054 396106301 /nfs/dbraw/zinc/10/63/01/396106301.db2.gz QLZQWNUQTINIMT-HNNXBMFYSA-N 3 0 305.426 0.478 10 0 DCAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262363573 396130158 /nfs/dbraw/zinc/13/01/58/396130158.db2.gz VJQFOYSJDUJNGQ-BMFZPTHFSA-N 2 0 319.453 0.571 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262397166 396135059 /nfs/dbraw/zinc/13/50/59/396135059.db2.gz YJHXRFJIMFWJRC-XHSDSOJGSA-N 2 0 319.453 0.666 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262753179 396178379 /nfs/dbraw/zinc/17/83/79/396178379.db2.gz HAYYHXLXXAFBEV-STQMWFEESA-N 2 0 301.456 0.309 10 0 DCAERP CC(C)NC(=O)CN(C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608145903 397718415 /nfs/dbraw/zinc/71/84/15/397718415.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 0 324.469 0.574 10 0 DCAERP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088681 /nfs/dbraw/zinc/08/86/81/287088681.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 2 0 324.469 0.548 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247197167 287091805 /nfs/dbraw/zinc/09/18/05/287091805.db2.gz WXKSPOBDAJHBPP-CVEARBPZSA-N 2 0 324.469 0.834 10 0 DCAERP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249463466 287111210 /nfs/dbraw/zinc/11/12/10/287111210.db2.gz GATSDPABCOLERS-MBNYWOFBSA-N 2 0 303.472 0.586 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCO)C(C)C)C1 ZINC000078719755 415466143 /nfs/dbraw/zinc/46/61/43/415466143.db2.gz FIRLVNHRMSAZBB-HNNXBMFYSA-N 2 0 315.458 0.162 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000111856654 415696152 /nfs/dbraw/zinc/69/61/52/415696152.db2.gz BMEFYIZAMCHWSM-HIFRSBDPSA-N 2 0 312.458 0.879 10 0 DCAERP CO[C@H]1C[C@@H](C(=O)N2CCC(OCC[NH+](C)C)CC2)[N@H+](C)C1 ZINC000345009887 416026841 /nfs/dbraw/zinc/02/68/41/416026841.db2.gz FETNXOZAYLFRMA-GJZGRUSLSA-N 2 0 313.442 0.275 10 0 DCAERP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000358681949 416267236 /nfs/dbraw/zinc/26/72/36/416267236.db2.gz QNLKGZHHWWSFOD-CVEARBPZSA-N 2 0 324.469 0.735 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1 ZINC000458673131 416489604 /nfs/dbraw/zinc/48/96/04/416489604.db2.gz VWCMIWDUKRAYOP-INIZCTEOSA-N 2 0 324.469 0.784 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000535265192 416518939 /nfs/dbraw/zinc/51/89/39/416518939.db2.gz WKTAFHNFKHGGON-OCCSQVGLSA-N 2 0 303.410 0.840 10 0 DCAERP Cc1nn(C)c(C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527132319 417217390 /nfs/dbraw/zinc/21/73/90/417217390.db2.gz PHJDRUGCJZWYMH-UHFFFAOYSA-N 2 0 310.446 0.994 10 0 DCAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649332190 418240420 /nfs/dbraw/zinc/24/04/20/418240420.db2.gz DQJBONLDFPRLPJ-GOEBONIOSA-N 2 0 305.422 0.859 10 0 DCAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408071679 277062223 /nfs/dbraw/zinc/06/22/23/277062223.db2.gz OOQXAAWLIBSXPH-HZSPNIEDSA-N 2 0 303.472 0.921 10 0 DCAERP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000154200726 278117603 /nfs/dbraw/zinc/11/76/03/278117603.db2.gz ZYKRVXACYHFUQU-GJZGRUSLSA-N 2 0 318.483 0.636 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389494 300312549 /nfs/dbraw/zinc/31/25/49/300312549.db2.gz XUAQHAQCAYVSRY-LSDHHAIUSA-N 2 0 317.437 0.657 10 0 DCAERP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262387377 303691558 /nfs/dbraw/zinc/69/15/58/303691558.db2.gz NSXXAZQIOBZAOF-ZMSDIMECSA-N 2 0 306.454 0.272 10 0 DCAERP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000332975929 546068571 /nfs/dbraw/zinc/06/85/71/546068571.db2.gz GUFPRTJHQNGUAK-SJXGUFTOSA-N 2 0 324.469 0.566 10 0 DCAERP C[NH+](C)CCN(C1CCCC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722221267 659382025 /nfs/dbraw/zinc/38/20/25/659382025.db2.gz YZSWZSQAYLWELD-CQSZACIVSA-N 2 0 303.472 0.874 10 0 DCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090601 662054680 /nfs/dbraw/zinc/05/46/80/662054680.db2.gz UTJIZNJLMFRHBQ-ZWKOTPCHSA-N 2 0 324.513 0.713 10 0 DCAERP CN1CC[C@@](O)(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711406793 667463002 /nfs/dbraw/zinc/46/30/02/667463002.db2.gz MDCQXFIAXLDFJC-DVOMOZLQSA-N 2 0 313.442 0.946 10 0 DCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000333121573 285317778 /nfs/dbraw/zinc/31/77/78/285317778.db2.gz ANTRMYPZXHSQHB-LSDHHAIUSA-N 2 0 311.474 0.263 10 0 DCAERP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000111262926 395804477 /nfs/dbraw/zinc/80/44/77/395804477.db2.gz JXBIPISQBZZDEZ-CYBMUJFWSA-N 2 0 322.453 0.187 10 0 DCAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237156882 395904235 /nfs/dbraw/zinc/90/42/35/395904235.db2.gz WZIIHKCWOOQYKW-HOTGVXAUSA-N 2 0 310.486 0.894 10 0 DCAERP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCN(C)CC1 ZINC000245713691 395935460 /nfs/dbraw/zinc/93/54/60/395935460.db2.gz ZXEGTJHHRNIGOI-ZNMIVQPWSA-N 2 0 323.437 0.567 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000247187030 395969003 /nfs/dbraw/zinc/96/90/03/395969003.db2.gz SKBWYMPRPPZONC-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000262071821 396096324 /nfs/dbraw/zinc/09/63/24/396096324.db2.gz GEWZSVRHRGJAOU-NFAWXSAZSA-N 2 0 310.442 0.171 10 0 DCAERP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170836760 396098497 /nfs/dbraw/zinc/09/84/97/396098497.db2.gz MZMMVRDTMOWNOV-OAHLLOKOSA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170859990 396099427 /nfs/dbraw/zinc/09/94/27/396099427.db2.gz FUNFSKNGJHZTKP-GASCZTMLSA-N 2 0 324.469 0.482 10 0 DCAERP CC(C)OCCN1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262737713 396177206 /nfs/dbraw/zinc/17/72/06/396177206.db2.gz CHDAEWHHUYMWMH-LBPRGKRZSA-N 2 0 305.369 0.553 10 0 DCAERP c1nnc2ccc(N3CC[C@@H]([NH2+]CC4CC[NH2+]CC4)C3)nn12 ZINC000629653008 396815295 /nfs/dbraw/zinc/81/52/95/396815295.db2.gz DOQUYQMJZVRVNA-CYBMUJFWSA-N 2 0 301.398 0.292 10 0 DCAERP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000606699486 397687070 /nfs/dbraw/zinc/68/70/70/397687070.db2.gz OOPDQUFZNJKOGH-ZDUSSCGKSA-N 2 0 305.426 0.945 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000113592933 158149048 /nfs/dbraw/zinc/14/90/48/158149048.db2.gz LFRMMPDOIJAPDC-HZPDHXFCSA-N 2 0 324.469 0.977 10 0 DCAERP COCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171906781 158388889 /nfs/dbraw/zinc/38/88/89/158388889.db2.gz CXLPMHGLDZSMJW-MRXNPFEDSA-N 2 0 324.469 0.977 10 0 DCAERP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262552498 158823788 /nfs/dbraw/zinc/82/37/88/158823788.db2.gz UCMBVQCETBOIFJ-CVEARBPZSA-N 2 0 303.406 0.621 10 0 DCAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000368212059 159381671 /nfs/dbraw/zinc/38/16/71/159381671.db2.gz LAFFLIBFYBRLBC-INIZCTEOSA-N 2 0 309.454 0.899 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000245593919 287071320 /nfs/dbraw/zinc/07/13/20/287071320.db2.gz BMANCHBXASVJAZ-HUUCEWRRSA-N 2 0 312.458 0.881 10 0 DCAERP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)CCN1CCO ZINC000249502642 287111981 /nfs/dbraw/zinc/11/19/81/287111981.db2.gz JEZLTFANJUOSRD-ZBFHGGJFSA-N 2 0 305.422 0.814 10 0 DCAERP CC[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000333488900 415665616 /nfs/dbraw/zinc/66/56/16/415665616.db2.gz DACYOXWHHWIMCF-GJZGRUSLSA-N 2 0 312.458 0.881 10 0 DCAERP [NH3+]C[C@H]1CCCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333644731 415706523 /nfs/dbraw/zinc/70/65/23/415706523.db2.gz IVTUMSLCPDLMES-UYSNPLJNSA-N 2 0 323.485 0.726 10 0 DCAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333946702 415767369 /nfs/dbraw/zinc/76/73/69/415767369.db2.gz UXFZSNCGCKJZSQ-UYSNPLJNSA-N 2 0 323.485 0.596 10 0 DCAERP O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178728443 416170580 /nfs/dbraw/zinc/17/05/80/416170580.db2.gz MLNGHSHVMYKNFF-KRWDZBQOSA-N 2 0 316.449 0.672 10 0 DCAERP C[C@H]1C[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000262142325 416336177 /nfs/dbraw/zinc/33/61/77/416336177.db2.gz HFQYCNLUZBALRZ-GJZGRUSLSA-N 2 0 319.453 0.903 10 0 DCAERP C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000568583724 417149641 /nfs/dbraw/zinc/14/96/41/417149641.db2.gz AUQARFSWDIRCOS-UHFFFAOYSA-N 2 0 301.350 0.437 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261912266 278191760 /nfs/dbraw/zinc/19/17/60/278191760.db2.gz JFCULTUUFDIFLY-VQHPVUNQSA-N 2 0 310.486 0.369 10 0 DCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117034383 278970629 /nfs/dbraw/zinc/97/06/29/278970629.db2.gz QBBKVAMZYZODLZ-LSDHHAIUSA-N 2 0 314.474 0.935 10 0 DCAERP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262115676 545979483 /nfs/dbraw/zinc/97/94/83/545979483.db2.gz FPUWOYUNIQUAGQ-XHSDSOJGSA-N 2 0 305.422 0.766 10 0 DCAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262409189 545985118 /nfs/dbraw/zinc/98/51/18/545985118.db2.gz ZDBKDWAIWFXSHX-FZMZJTMJSA-N 2 0 317.389 0.805 10 0 DCAERP CC(C)[NH+]1CCC(N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722223330 659388849 /nfs/dbraw/zinc/38/88/49/659388849.db2.gz IRDANXFRLGCSGR-CQSZACIVSA-N 2 0 303.472 0.873 10 0 DCAERP CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893055362 659709468 /nfs/dbraw/zinc/70/94/68/659709468.db2.gz BSJNEPZZXXVXPJ-LSDHHAIUSA-N 2 0 317.499 0.978 10 0 DCAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086895 666913922 /nfs/dbraw/zinc/91/39/22/666913922.db2.gz OQUBOSXMZIKGKW-MELADBBJSA-N 2 0 301.456 0.199 10 0 DCAERP CS(=O)(=O)N[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702955472 667018081 /nfs/dbraw/zinc/01/80/81/667018081.db2.gz VHLORXVOWGWQOR-WTUNAVPPSA-N 2 0 301.456 0.531 10 0 DCAERP CS(=O)(=O)N[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702974670 667022246 /nfs/dbraw/zinc/02/22/46/667022246.db2.gz FPNUIFDREGHSTK-GSPSYOTPSA-N 2 0 301.456 0.531 10 0 DCAERP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000710627126 667447055 /nfs/dbraw/zinc/44/70/55/667447055.db2.gz NQIRGLQGQORIQJ-KRWDZBQOSA-N 2 0 322.449 0.953 10 0 DCAERP C[C@H]1C[NH+]=C(NCC2(O)CC[NH+](Cc3ccccc3)CC2)N1 ZINC000397494557 685272486 /nfs/dbraw/zinc/27/24/86/685272486.db2.gz CRRXORCDPOJBAX-AWEZNQCLSA-N 2 0 302.422 0.951 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236838881 202033117 /nfs/dbraw/zinc/03/31/17/202033117.db2.gz PMPDOWOWARXKOZ-CABCVRRESA-N 2 0 324.469 0.435 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111867585 285022014 /nfs/dbraw/zinc/02/20/14/285022014.db2.gz SQAAFWPUKOXFFO-HZPDHXFCSA-N 2 0 324.469 0.977 10 0 DCAERP CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237131909 395903836 /nfs/dbraw/zinc/90/38/36/395903836.db2.gz NXULYRSCDQHTRK-SNPRPXQTSA-N 2 0 322.453 0.234 10 0 DCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261778373 396065051 /nfs/dbraw/zinc/06/50/51/396065051.db2.gz MULOIMCPTKNRBZ-UONOGXRCSA-N 2 0 301.431 0.213 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249188289 396004552 /nfs/dbraw/zinc/00/45/52/396004552.db2.gz OPUYDQZCKOKNHS-KGLIPLIRSA-N 2 0 301.456 0.581 10 0 DCAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262142553 396103719 /nfs/dbraw/zinc/10/37/19/396103719.db2.gz HHVLVEMTNHTQNS-CQSZACIVSA-N 2 0 303.410 0.268 10 0 DCAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300352 396120429 /nfs/dbraw/zinc/12/04/29/396120429.db2.gz PNVJFOFNHUDFME-IMJJTQAJSA-N 2 0 319.453 0.523 10 0 DCAERP COc1cc(C)nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000262331309 396125193 /nfs/dbraw/zinc/12/51/93/396125193.db2.gz SNACIRIMYJRGOJ-ZDUSSCGKSA-N 2 0 306.410 0.686 10 0 DCAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000173914162 396136254 /nfs/dbraw/zinc/13/62/54/396136254.db2.gz MBNYTDSAUPIHTF-HUUCEWRRSA-N 2 0 311.474 0.215 10 0 DCAERP CC(C)[N@@H+]1CCc2nc(CNC[C@@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263195628 396205344 /nfs/dbraw/zinc/20/53/44/396205344.db2.gz IJACRUYAJJJHFV-WCQYABFASA-N 2 0 310.467 0.580 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262940083 396193332 /nfs/dbraw/zinc/19/33/32/396193332.db2.gz UJXGEZBAZLNGAG-UKRRQHHQSA-N 2 0 317.437 0.704 10 0 DCAERP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263171336 396204448 /nfs/dbraw/zinc/20/44/48/396204448.db2.gz FTRYYWDCZHPXOZ-LSDHHAIUSA-N 2 0 322.405 0.525 10 0 DCAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000188782322 396386692 /nfs/dbraw/zinc/38/66/92/396386692.db2.gz YHCVPNUTLCEROE-DZGCQCFKSA-N 2 0 313.417 0.790 10 0 DCAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000333390776 396924249 /nfs/dbraw/zinc/92/42/49/396924249.db2.gz OTLDGIZASKFXLS-CABCVRRESA-N 2 0 311.474 0.311 10 0 DCAERP CC(C)[NH+](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000380892533 397271456 /nfs/dbraw/zinc/27/14/56/397271456.db2.gz FTJWDNDANPKBSZ-ZDUSSCGKSA-N 2 0 307.460 0.013 10 0 DCAERP C[NH+](C)CCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000096780329 158124201 /nfs/dbraw/zinc/12/42/01/158124201.db2.gz XIMJIFSNWJTHEP-UHFFFAOYSA-N 2 0 305.426 0.515 10 0 DCAERP C[C@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262940080 158849046 /nfs/dbraw/zinc/84/90/46/158849046.db2.gz UJXGEZBAZLNGAG-DZGCQCFKSA-N 2 0 317.437 0.704 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000246340419 287081443 /nfs/dbraw/zinc/08/14/43/287081443.db2.gz OJJSDLMBCRJIRS-IJEWVQPXSA-N 2 0 324.469 0.758 10 0 DCAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333417900 415643478 /nfs/dbraw/zinc/64/34/78/415643478.db2.gz SCXQKDPQFKAZHC-IMJJTQAJSA-N 2 0 324.469 0.758 10 0 DCAERP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000107281154 415664036 /nfs/dbraw/zinc/66/40/36/415664036.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 2 0 310.486 0.955 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000333895327 415760908 /nfs/dbraw/zinc/76/09/08/415760908.db2.gz YYYZAHXKQQTIIL-GJZGRUSLSA-N 2 0 310.442 0.492 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@](C)(C[NH3+])C3CC3)ccn2)CC1 ZINC000154961170 415991643 /nfs/dbraw/zinc/99/16/43/415991643.db2.gz MLJKWGFYLKYGAV-QGZVFWFLSA-N 2 0 317.437 0.691 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171898693 416041675 /nfs/dbraw/zinc/04/16/75/416041675.db2.gz WLCAHEYQJVKAIQ-HZPDHXFCSA-N 2 0 324.469 0.833 10 0 DCAERP CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173527821 416060986 /nfs/dbraw/zinc/06/09/86/416060986.db2.gz WAZMLKFGNYBCJG-HIFRSBDPSA-N 2 0 310.442 0.092 10 0 DCAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362066620 416553951 /nfs/dbraw/zinc/55/39/51/416553951.db2.gz NKMZSIDCJGHFEQ-INIZCTEOSA-N 2 0 308.470 0.615 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000577239806 417675424 /nfs/dbraw/zinc/67/54/24/417675424.db2.gz RMPUIXUOSOTDEP-JALIKCBVSA-N 2 0 322.453 0.280 10 0 DCAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106529883 276336015 /nfs/dbraw/zinc/33/60/15/276336015.db2.gz NVJNQPGRFGGRQM-GJZGRUSLSA-N 2 0 313.490 0.652 10 0 DCAERP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000408424704 277034845 /nfs/dbraw/zinc/03/48/45/277034845.db2.gz GZGKTXXEEMSEAH-ZFWWWQNUSA-N 2 0 315.483 0.874 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247531999 277211244 /nfs/dbraw/zinc/21/12/44/277211244.db2.gz XPMTWMYIBLRHRW-CABCVRRESA-N 2 0 312.458 0.833 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333613440 303797384 /nfs/dbraw/zinc/79/73/84/303797384.db2.gz YINDCOJWUCOBSG-GJZGRUSLSA-N 2 0 310.442 0.635 10 0 DCAERP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333719420 546089581 /nfs/dbraw/zinc/08/95/81/546089581.db2.gz UIEIJLIJDSAMRH-LUKYLMHMSA-N 2 0 314.433 0.993 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333795001 546092979 /nfs/dbraw/zinc/09/29/79/546092979.db2.gz GVCWCZHDSZWZDI-CVEARBPZSA-N 2 0 323.485 0.407 10 0 DCAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430607 666956424 /nfs/dbraw/zinc/95/64/24/666956424.db2.gz NQUGRPBFNKGDNZ-IRXDYDNUSA-N 2 0 318.465 0.856 10 0 DCAERP COC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH2+]CCO1 ZINC000710821800 667446314 /nfs/dbraw/zinc/44/63/14/667446314.db2.gz GROIOIYLOYMKTP-QGZVFWFLSA-N 2 0 321.421 0.240 10 0 DCAERP CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000405226316 774153721 /nfs/dbraw/zinc/15/37/21/774153721.db2.gz QJMIUGNYCZGJGR-UHFFFAOYSA-N 2 0 323.462 0.884 10 0 DCAERP C[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262520084 530049491 /nfs/dbraw/zinc/04/94/91/530049491.db2.gz NYUANYJAFZLQFG-JKIFEVAISA-N 2 0 309.454 0.977 10 0 DCAERP C[NH+](C)[C@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134302 194078534 /nfs/dbraw/zinc/07/85/34/194078534.db2.gz HEFWXYFIUMWORG-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCN(C)CC1 ZINC000245713680 395935347 /nfs/dbraw/zinc/93/53/47/395935347.db2.gz ZXEGTJHHRNIGOI-ILXRZTDVSA-N 2 0 323.437 0.567 10 0 DCAERP C[C@H](CN1CCOCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245936373 395938451 /nfs/dbraw/zinc/93/84/51/395938451.db2.gz ABNNCBCQWVOVFP-CVEARBPZSA-N 2 0 313.486 0.732 10 0 DCAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261844550 396072059 /nfs/dbraw/zinc/07/20/59/396072059.db2.gz PKDZPPLLFJWESQ-ZIAGYGMSSA-N 2 0 317.437 0.643 10 0 DCAERP C[NH+](C)CCOc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261692357 396057024 /nfs/dbraw/zinc/05/70/24/396057024.db2.gz DFIWUCIPRCNHLH-UHFFFAOYSA-N 2 0 321.421 0.751 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249188287 396004086 /nfs/dbraw/zinc/00/40/86/396004086.db2.gz OPUYDQZCKOKNHS-KBPBESRZSA-N 2 0 301.456 0.581 10 0 DCAERP [NH3+]CCN(CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1 ZINC000262074768 396095910 /nfs/dbraw/zinc/09/59/10/396095910.db2.gz KFNHDKMGUZFYIX-UHFFFAOYSA-N 2 0 304.438 0.312 10 0 DCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262071362 396096031 /nfs/dbraw/zinc/09/60/31/396096031.db2.gz BSIVKVJESLWILR-BMFZPTHFSA-N 2 0 319.453 0.714 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000262119096 396101257 /nfs/dbraw/zinc/10/12/57/396101257.db2.gz FSWPGCLJJWUJQX-JMGFVUJMSA-N 2 0 317.437 0.465 10 0 DCAERP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000262271066 396116693 /nfs/dbraw/zinc/11/66/93/396116693.db2.gz NAOCALQXINXXMN-KBPBESRZSA-N 2 0 313.442 0.046 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262647229 396167846 /nfs/dbraw/zinc/16/78/46/396167846.db2.gz ORNBIUCLADJHBJ-VQHPVUNQSA-N 2 0 322.497 0.907 10 0 DCAERP CC[NH+](CC)CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000077826608 158070570 /nfs/dbraw/zinc/07/05/70/158070570.db2.gz NADQHCJCBXULJV-UHFFFAOYSA-N 2 0 300.447 0.740 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129954318 158292182 /nfs/dbraw/zinc/29/21/82/158292182.db2.gz IHHCNXWNEAJGSN-LSDHHAIUSA-N 2 0 312.458 0.690 10 0 DCAERP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261644904 158725434 /nfs/dbraw/zinc/72/54/34/158725434.db2.gz AZIJBRWWXIHSAJ-HZSPNIEDSA-N 2 0 310.442 0.208 10 0 DCAERP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353442938 415547276 /nfs/dbraw/zinc/54/72/76/415547276.db2.gz DOJFFEWVTZROKS-BBWFWOEESA-N 2 0 308.470 0.613 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000153601175 415984706 /nfs/dbraw/zinc/98/47/06/415984706.db2.gz AYAQZAARJATECF-HOCLYGCPSA-N 2 0 324.469 0.833 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000174623820 416081689 /nfs/dbraw/zinc/08/16/89/416081689.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 2 0 300.447 0.689 10 0 DCAERP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000547691382 416682043 /nfs/dbraw/zinc/68/20/43/416682043.db2.gz NTZJDDNDJDCIKZ-MQYQWHSLSA-N 2 0 303.410 1.277 10 0 DCAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000524370545 417103520 /nfs/dbraw/zinc/10/35/20/417103520.db2.gz RAWWMOXZPFNHGM-HZPDHXFCSA-N 2 0 300.443 0.817 10 0 DCAERP CN(CCC[NH+]1CCCC1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000532212705 417667273 /nfs/dbraw/zinc/66/72/73/417667273.db2.gz CJDBKIZHGZGQJY-HOTGVXAUSA-N 2 0 300.443 0.961 10 0 DCAERP CNC(=O)c1ccn([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261944085 277261672 /nfs/dbraw/zinc/26/16/72/277261672.db2.gz FAFBNPYXSDOPSD-XJKSGUPXSA-N 2 0 305.426 0.879 10 0 DCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000553023427 288284715 /nfs/dbraw/zinc/28/47/15/288284715.db2.gz RAPQPVYJUAZQGD-AWEZNQCLSA-N 2 0 312.458 0.387 10 0 DCAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000710627129 667447113 /nfs/dbraw/zinc/44/71/13/667447113.db2.gz NQIRGLQGQORIQJ-QGZVFWFLSA-N 2 0 322.449 0.953 10 0 DCAERP COCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938355 685237902 /nfs/dbraw/zinc/23/79/02/685237902.db2.gz LDFIQVXXKAVICR-CVEARBPZSA-N 2 0 305.422 0.989 10 0 DCAERP C[C@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000405095000 774149082 /nfs/dbraw/zinc/14/90/82/774149082.db2.gz ADIIYVRFNWQFKD-ZFWWWQNUSA-N 2 0 323.462 0.931 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236838859 202032668 /nfs/dbraw/zinc/03/26/68/202032668.db2.gz PMPDOWOWARXKOZ-LSDHHAIUSA-N 2 0 324.469 0.435 10 0 DCAERP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105134317 194077397 /nfs/dbraw/zinc/07/73/97/194077397.db2.gz LATLKYGGLOKMAV-AWEZNQCLSA-N 2 0 312.458 0.881 10 0 DCAERP C[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112403529 395816934 /nfs/dbraw/zinc/81/69/34/395816934.db2.gz WUNHCJMDJMQPKV-UHFFFAOYSA-N 2 0 317.437 0.657 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)CS(C)(=O)=O)CC1 ZINC000246410486 395948656 /nfs/dbraw/zinc/94/86/56/395948656.db2.gz BBKIBBMXHZGOGG-UONOGXRCSA-N 2 0 320.499 0.692 10 0 DCAERP COCCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000247224845 395969865 /nfs/dbraw/zinc/96/98/65/395969865.db2.gz VWHIIGYVPOOJGX-LSDHHAIUSA-N 2 0 324.469 0.833 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248690987 395994498 /nfs/dbraw/zinc/99/44/98/395994498.db2.gz XULHJHFBWIEEQG-KFWWJZLASA-N 2 0 314.474 0.813 10 0 DCAERP C[C@H](C(=O)N1CCCCCC1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261983828 396086860 /nfs/dbraw/zinc/08/68/60/396086860.db2.gz RTJGNODQMFFKLF-CQSZACIVSA-N 2 0 310.442 0.141 10 0 DCAERP C[C@H](CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000175760100 396141678 /nfs/dbraw/zinc/14/16/78/396141678.db2.gz JKLRESDPYNHMHN-IIAWOOMASA-N 2 0 324.469 0.831 10 0 DCAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300348 396120895 /nfs/dbraw/zinc/12/08/95/396120895.db2.gz PNVJFOFNHUDFME-BMFZPTHFSA-N 2 0 319.453 0.523 10 0 DCAERP CC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263200586 396205873 /nfs/dbraw/zinc/20/58/73/396205873.db2.gz IYKGHKPFNBXOJY-SJLPKXTDSA-N 2 0 318.465 0.498 10 0 DCAERP C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@@H]2C1 ZINC000192826694 396439163 /nfs/dbraw/zinc/43/91/63/396439163.db2.gz JXXZYYUDEJCATP-ZIAGYGMSSA-N 2 0 301.456 0.438 10 0 DCAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309704605 396757708 /nfs/dbraw/zinc/75/77/08/396757708.db2.gz HGLXVLDYGSACCZ-JKSUJKDBSA-N 2 0 305.422 0.989 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000333831586 396933267 /nfs/dbraw/zinc/93/32/67/396933267.db2.gz MPPKUROSUPORLC-HOTGVXAUSA-N 2 0 324.469 0.882 10 0 DCAERP c1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591699513 396982497 /nfs/dbraw/zinc/98/24/97/396982497.db2.gz VXVFKFFRAOVAQW-UHFFFAOYSA-N 2 0 315.425 0.892 10 0 DCAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261843220 158745794 /nfs/dbraw/zinc/74/57/94/158745794.db2.gz PKDZPPLLFJWESQ-KGLIPLIRSA-N 2 0 317.437 0.643 10 0 DCAERP COC[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000262460068 158815647 /nfs/dbraw/zinc/81/56/47/158815647.db2.gz ILAXFBGBTYMPGY-KRWDZBQOSA-N 2 0 309.454 0.947 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCO[C@H](C)C2)CC1 ZINC000248948858 287103819 /nfs/dbraw/zinc/10/38/19/287103819.db2.gz CUEXXEKXHJBHSK-JKSUJKDBSA-N 2 0 313.486 0.732 10 0 DCAERP C[C@@H]1C(=O)NCCC[N@H+]1CCCC[NH+]1CCCNC(=O)[C@@H]1C ZINC000189315684 287179645 /nfs/dbraw/zinc/17/96/45/287179645.db2.gz LOISBZRSOMLXDQ-OKILXGFUSA-N 2 0 310.442 0.187 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000105282372 415631243 /nfs/dbraw/zinc/63/12/43/415631243.db2.gz ZOVMHNNZRMERLU-HNNXBMFYSA-N 2 0 310.442 0.587 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000111867936 415700437 /nfs/dbraw/zinc/70/04/37/415700437.db2.gz SIYHOWKVFGCJLV-INIZCTEOSA-N 2 0 324.469 0.834 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000333831585 415745333 /nfs/dbraw/zinc/74/53/33/415745333.db2.gz MPPKUROSUPORLC-CVEARBPZSA-N 2 0 324.469 0.882 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000153601070 415983926 /nfs/dbraw/zinc/98/39/26/415983926.db2.gz AYAQZAARJATECF-GOEBONIOSA-N 2 0 324.469 0.833 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000173504554 416060115 /nfs/dbraw/zinc/06/01/15/416060115.db2.gz NTKCJLGCHKUJNI-LSDHHAIUSA-N 2 0 312.458 0.833 10 0 DCAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000357301563 416060255 /nfs/dbraw/zinc/06/02/55/416060255.db2.gz FDQBUQZVFIXKTO-UHFFFAOYSA-N 2 0 310.486 0.814 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000174623831 416081467 /nfs/dbraw/zinc/08/14/67/416081467.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 2 0 300.447 0.689 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCSC1 ZINC000360743902 416407283 /nfs/dbraw/zinc/40/72/83/416407283.db2.gz GWMXDPMHZYDIQH-OAHLLOKOSA-N 2 0 323.466 0.652 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000535260893 416518468 /nfs/dbraw/zinc/51/84/68/416518468.db2.gz HYSQPENNROJVSG-HUUCEWRRSA-N 2 0 303.410 0.841 10 0 DCAERP CC1(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844529 417086901 /nfs/dbraw/zinc/08/69/01/417086901.db2.gz VPCHBIYFHZTTRF-OAHLLOKOSA-N 2 0 303.406 0.756 10 0 DCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638802731 417561668 /nfs/dbraw/zinc/56/16/68/417561668.db2.gz BZAZVWGEKGDMLI-IRXDYDNUSA-N 2 0 317.433 0.861 10 0 DCAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649332191 418239997 /nfs/dbraw/zinc/23/99/97/418239997.db2.gz DQJBONLDFPRLPJ-HOCLYGCPSA-N 2 0 305.422 0.859 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195123075 261151004 /nfs/dbraw/zinc/15/10/04/261151004.db2.gz HGKPBTAXMOUWKC-LSDHHAIUSA-N 2 0 312.458 0.737 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556359282 288375341 /nfs/dbraw/zinc/37/53/41/288375341.db2.gz AIKLDGJQPZYKRM-ZIAGYGMSSA-N 2 0 310.442 0.140 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000117045383 289198057 /nfs/dbraw/zinc/19/80/57/289198057.db2.gz NEZTVMAKXCWZIA-OAHLLOKOSA-N 2 0 312.458 0.690 10 0 DCAERP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262423097 295234392 /nfs/dbraw/zinc/23/43/92/295234392.db2.gz GEDFNSMLZBSPGU-KBXIAJHMSA-N 2 0 322.453 0.221 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@](C)(C[NH3+])C3)ccn2)CC1 ZINC000261733653 661582353 /nfs/dbraw/zinc/58/23/53/661582353.db2.gz CXGNXKDQHMHRFG-KRWDZBQOSA-N 2 0 317.437 0.644 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929556565 664671926 /nfs/dbraw/zinc/67/19/26/664671926.db2.gz XYDYLXQLANHOEX-HIFRSBDPSA-N 2 0 318.483 0.588 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091137003 193002417 /nfs/dbraw/zinc/00/24/17/193002417.db2.gz VQRIUFHRAOLQAW-CYBMUJFWSA-N 2 0 301.456 0.262 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866564 285033553 /nfs/dbraw/zinc/03/35/53/285033553.db2.gz KISLDVHULFQJED-LSDHHAIUSA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC3(C[NH3+])CCCC3)ccn2)CC1 ZINC000237236845 395908245 /nfs/dbraw/zinc/90/82/45/395908245.db2.gz HFZCRHNFNSGZST-UHFFFAOYSA-N 2 0 317.437 0.835 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246935146 395960950 /nfs/dbraw/zinc/96/09/50/395960950.db2.gz BYQGSELYXPHLEQ-KBPBESRZSA-N 2 0 300.447 0.689 10 0 DCAERP Cc1nc(CC[NH3+])cc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000067726931 396031808 /nfs/dbraw/zinc/03/18/08/396031808.db2.gz BLNCEMLBDPDTQH-MRXNPFEDSA-N 2 0 319.453 0.712 10 0 DCAERP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000155549829 396053864 /nfs/dbraw/zinc/05/38/64/396053864.db2.gz ZSTNZDYTVUAHMS-HNNXBMFYSA-N 2 0 319.453 0.937 10 0 DCAERP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1)[NH+](C)C ZINC000164436284 396087285 /nfs/dbraw/zinc/08/72/85/396087285.db2.gz GLFQSSBQZQHRDR-STQMWFEESA-N 2 0 320.441 0.944 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]1 ZINC000262349591 396128665 /nfs/dbraw/zinc/12/86/65/396128665.db2.gz HDPPUFGPSHPTAS-HOCLYGCPSA-N 2 0 309.454 0.945 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261912268 396078780 /nfs/dbraw/zinc/07/87/80/396078780.db2.gz JFCULTUUFDIFLY-YYIAUSFCSA-N 2 0 310.486 0.369 10 0 DCAERP O[C@H]1C[NH2+]C[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000263313933 396213642 /nfs/dbraw/zinc/21/36/42/396213642.db2.gz ZDVCVFQKDYMLNK-WMZOPIPTSA-N 2 0 303.450 0.863 10 0 DCAERP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309737199 396759567 /nfs/dbraw/zinc/75/95/67/396759567.db2.gz URVPEMVFXSJYTA-QGZVFWFLSA-N 2 0 316.449 0.625 10 0 DCAERP COCC(C)(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000076496264 158065536 /nfs/dbraw/zinc/06/55/36/158065536.db2.gz DVWQDFIXSJITFU-AWEZNQCLSA-N 2 0 315.458 0.474 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(CCN2CCCC2=O)CC1 ZINC000109752568 158138374 /nfs/dbraw/zinc/13/83/74/158138374.db2.gz PMIXLFDBXDVQCJ-INIZCTEOSA-N 2 0 308.470 0.711 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCO1 ZINC000117032663 158170035 /nfs/dbraw/zinc/17/00/35/158170035.db2.gz GDCJDOPDEBCGNC-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452045 158187400 /nfs/dbraw/zinc/18/74/00/158187400.db2.gz GHCIERDEEQAPGJ-MRXNPFEDSA-N 2 0 308.470 0.711 10 0 DCAERP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000166561485 158367022 /nfs/dbraw/zinc/36/70/22/158367022.db2.gz XUBCOPFIXWWESR-HZPDHXFCSA-N 2 0 308.470 0.789 10 0 DCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262317920 158797055 /nfs/dbraw/zinc/79/70/55/158797055.db2.gz BVYCSKXHEKLBMC-DZKIICNBSA-N 2 0 311.470 0.926 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248602776 287098773 /nfs/dbraw/zinc/09/87/73/287098773.db2.gz JIBIIJBGPALWNF-ZNMIVQPWSA-N 2 0 312.458 0.567 10 0 DCAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000249206380 287108097 /nfs/dbraw/zinc/10/80/97/287108097.db2.gz VZIZIIXLSLYVAA-LSDHHAIUSA-N 2 0 312.458 0.737 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281634 415633422 /nfs/dbraw/zinc/63/34/22/415633422.db2.gz IUQMKAWSOPPUTA-INIZCTEOSA-N 2 0 324.469 0.834 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106529887 415643790 /nfs/dbraw/zinc/64/37/90/415643790.db2.gz NVJNQPGRFGGRQM-HUUCEWRRSA-N 2 0 313.490 0.652 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106541523 415644088 /nfs/dbraw/zinc/64/40/88/415644088.db2.gz QJAUTGJDSOGNFX-GJZGRUSLSA-N 2 0 311.474 0.406 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333491177 415664252 /nfs/dbraw/zinc/66/42/52/415664252.db2.gz DIKSGGARXSZQLG-INIZCTEOSA-N 2 0 324.469 0.882 10 0 DCAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595242 415692837 /nfs/dbraw/zinc/69/28/37/415692837.db2.gz BKNNFXXBXJPEAM-ZSAUSMIDSA-N 2 0 312.458 0.327 10 0 DCAERP CC[C@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000152002293 415966715 /nfs/dbraw/zinc/96/67/15/415966715.db2.gz BPFZYTVWIZWERT-HZPDHXFCSA-N 2 0 310.486 0.955 10 0 DCAERP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000179043492 416180850 /nfs/dbraw/zinc/18/08/50/416180850.db2.gz ZPUVJCUQARFNSA-INIZCTEOSA-N 2 0 317.437 0.870 10 0 DCAERP CCOC(=O)[C@H]1CCCCN1C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193604392 416319415 /nfs/dbraw/zinc/31/94/15/416319415.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 0 323.437 0.424 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000190687039 416281935 /nfs/dbraw/zinc/28/19/35/416281935.db2.gz LGQLCBQHXHJPQL-OCCSQVGLSA-N 2 0 303.472 0.588 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261816201 416335825 /nfs/dbraw/zinc/33/58/25/416335825.db2.gz AFIGBZMUESRWFA-XJKCOSOUSA-N 2 0 313.442 0.213 10 0 DCAERP C[C@@H](O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000194690695 416324312 /nfs/dbraw/zinc/32/43/12/416324312.db2.gz PDKZIOGLKHPIGE-ZIAGYGMSSA-N 2 0 309.454 0.774 10 0 DCAERP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN2CCCC[C@@H]2C1 ZINC000237907462 416329380 /nfs/dbraw/zinc/32/93/80/416329380.db2.gz QMPPNNUDDXKVTF-CQSZACIVSA-N 2 0 318.425 0.513 10 0 DCAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438714663 416601485 /nfs/dbraw/zinc/60/14/85/416601485.db2.gz VJZSQMAHQZNRAP-ZDUSSCGKSA-N 2 0 308.430 0.908 10 0 DCAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262167018 276272634 /nfs/dbraw/zinc/27/26/34/276272634.db2.gz UMXZQIIYBIRIDI-RNJOBUHISA-N 2 0 320.380 0.914 10 0 DCAERP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000183572136 276891411 /nfs/dbraw/zinc/89/14/11/276891411.db2.gz FMRLAVVLNAQGIP-UHFFFAOYSA-N 2 0 306.410 0.988 10 0 DCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333928412 289037760 /nfs/dbraw/zinc/03/77/60/289037760.db2.gz XGRQLZOBKVCMKS-IBEHDNSVSA-N 2 0 324.469 0.471 10 0 DCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117032129 298564818 /nfs/dbraw/zinc/56/48/18/298564818.db2.gz HLEZSQBVHPXRAQ-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000261775325 545977190 /nfs/dbraw/zinc/97/71/90/545977190.db2.gz OTQHQEPCHDBCJB-HZPDHXFCSA-N 2 0 309.454 0.932 10 0 DCAERP [NH3+]C1(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000398137550 546224217 /nfs/dbraw/zinc/22/42/17/546224217.db2.gz MYLYWNYVUHVGIL-UHFFFAOYSA-N 2 0 316.449 0.802 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237237706 662113708 /nfs/dbraw/zinc/11/37/08/662113708.db2.gz TXHNJWCGZLBKCT-CABCVRRESA-N 2 0 317.437 0.691 10 0 DCAERP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000405097284 774150058 /nfs/dbraw/zinc/15/00/58/774150058.db2.gz TWDCWYRSRNMRFD-JSGCOSHPSA-N 2 0 309.435 0.541 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000116789228 282125152 /nfs/dbraw/zinc/12/51/52/282125152.db2.gz NMESUXGALDSEJF-IAGOWNOFSA-N 2 0 319.449 0.948 10 0 DCAERP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000236686383 395896060 /nfs/dbraw/zinc/89/60/60/395896060.db2.gz KWXLLJSGDOXILP-KRWDZBQOSA-N 2 0 319.453 0.937 10 0 DCAERP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CCOCC1 ZINC000136811453 395948558 /nfs/dbraw/zinc/94/85/58/395948558.db2.gz UTFWBQKLLXNPSI-BZUAXINKSA-N 2 0 324.469 0.833 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000247189426 395968939 /nfs/dbraw/zinc/96/89/39/395968939.db2.gz LFRMMPDOIJAPDC-CVEARBPZSA-N 2 0 324.469 0.977 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC[C@H](C)O)C1 ZINC000247464167 395973986 /nfs/dbraw/zinc/97/39/86/395973986.db2.gz IQRSGDLLVDSTNV-GJZGRUSLSA-N 2 0 315.458 0.162 10 0 DCAERP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)c1 ZINC000065459409 395994568 /nfs/dbraw/zinc/99/45/68/395994568.db2.gz FMNLUTXMQOBPMK-ZDUSSCGKSA-N 2 0 317.393 0.676 10 0 DCAERP CC(C)C[C@H](C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000155549943 396054183 /nfs/dbraw/zinc/05/41/83/396054183.db2.gz ZSTNZDYTVUAHMS-OAHLLOKOSA-N 2 0 319.453 0.937 10 0 DCAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158199289 396064271 /nfs/dbraw/zinc/06/42/71/396064271.db2.gz NOVHERDMPYTWKW-LLVKDONJSA-N 2 0 311.348 0.299 10 0 DCAERP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171202304 396111292 /nfs/dbraw/zinc/11/12/92/396111292.db2.gz USGPNSDUEKQSHT-HNNXBMFYSA-N 2 0 312.458 0.881 10 0 DCAERP CC[NH2+]CC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000262344696 396127906 /nfs/dbraw/zinc/12/79/06/396127906.db2.gz URIFBDHGJPMFMH-UHFFFAOYSA-N 2 0 303.410 0.818 10 0 DCAERP CS[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000262828267 396185240 /nfs/dbraw/zinc/18/52/40/396185240.db2.gz YZPIDGWTEONBSE-NWDGAFQWSA-N 2 0 309.439 0.173 10 0 DCAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188788898 396386547 /nfs/dbraw/zinc/38/65/47/396386547.db2.gz JMCWZHMRWXXGAY-GXTWGEPZSA-N 2 0 301.406 0.692 10 0 DCAERP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527751836 396547808 /nfs/dbraw/zinc/54/78/08/396547808.db2.gz CUKDPRLFLCUGPZ-XYJFISCASA-N 2 0 323.481 0.819 10 0 DCAERP COC[C@H](CCC[NH3+])[NH2+]CCn1cc(Br)cn1 ZINC000310325916 396759507 /nfs/dbraw/zinc/75/95/07/396759507.db2.gz YRVOYTYAPOSDLQ-NSHDSACASA-N 2 0 305.220 0.989 10 0 DCAERP c1nc(N2CCOCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000634813010 396921661 /nfs/dbraw/zinc/92/16/61/396921661.db2.gz WWCSIRMKWARNNL-ZIAGYGMSSA-N 2 0 303.410 0.892 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333613438 396929965 /nfs/dbraw/zinc/92/99/65/396929965.db2.gz YINDCOJWUCOBSG-CABCVRRESA-N 2 0 310.442 0.635 10 0 DCAERP CCCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119638632 158189417 /nfs/dbraw/zinc/18/94/17/158189417.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 0 308.470 0.755 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000123160611 158226987 /nfs/dbraw/zinc/22/69/87/158226987.db2.gz GBTHDJBTOIUHOR-CABCVRRESA-N 2 0 314.474 0.983 10 0 DCAERP CC[C@@](C)(O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000123543974 158231428 /nfs/dbraw/zinc/23/14/28/158231428.db2.gz HEWYDQGANNGFBK-DLBZAZTESA-N 2 0 313.486 0.874 10 0 DCAERP O=C1CNC(=O)N1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385778 158381729 /nfs/dbraw/zinc/38/17/29/158381729.db2.gz SAXSHQPPHFWLHJ-UHFFFAOYSA-N 2 0 308.426 0.736 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901093 158387582 /nfs/dbraw/zinc/38/75/82/158387582.db2.gz ZIDMGUNGKOFHRZ-OAHLLOKOSA-N 2 0 310.442 0.588 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900349 158387649 /nfs/dbraw/zinc/38/76/49/158387649.db2.gz KMPOTCJRDRUMBB-MRXNPFEDSA-N 2 0 323.485 0.502 10 0 DCAERP C[NH+](C)C1(CNC(=O)C2([NH3+])CCOCC2)Cc2ccccc2C1 ZINC000261869661 158747356 /nfs/dbraw/zinc/74/73/56/158747356.db2.gz NXJQZTXIJNFLOB-UHFFFAOYSA-N 2 0 317.433 0.710 10 0 DCAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262097986 158773736 /nfs/dbraw/zinc/77/37/36/158773736.db2.gz DMLGYJZGDUCQKR-CVEARBPZSA-N 2 0 319.453 0.714 10 0 DCAERP C[NH+](C)C1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362894726 287218332 /nfs/dbraw/zinc/21/83/32/287218332.db2.gz QNJDYWOXSOLBPQ-UHFFFAOYSA-N 2 0 310.486 0.861 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000105283458 415633200 /nfs/dbraw/zinc/63/32/00/415633200.db2.gz ZAEVTCAJOCOYRM-AWEZNQCLSA-N 2 0 307.398 0.560 10 0 DCAERP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000178889334 416176105 /nfs/dbraw/zinc/17/61/05/416176105.db2.gz YPJHRZWPTXCHPD-ZBFHGGJFSA-N 2 0 320.437 0.644 10 0 DCAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186706110 416258511 /nfs/dbraw/zinc/25/85/11/416258511.db2.gz YYKCRFGXAAGMPT-UKRRQHHQSA-N 2 0 317.437 0.561 10 0 DCAERP c1nc2n(n1)[C@@H](C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000631829935 416754461 /nfs/dbraw/zinc/75/44/61/416754461.db2.gz FEKYOPIVBHKIHW-CABCVRRESA-N 2 0 305.426 0.856 10 0 DCAERP CN(CCC[NH+]1CCCC1)C[C@H](O)COC[C@H]1CCCO1 ZINC000532212707 417666461 /nfs/dbraw/zinc/66/64/61/417666461.db2.gz CJDBKIZHGZGQJY-JKSUJKDBSA-N 2 0 300.443 0.961 10 0 DCAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649281598 418219880 /nfs/dbraw/zinc/21/98/80/418219880.db2.gz VQFQRQCHEKHSNV-MRXNPFEDSA-N 2 0 305.422 0.861 10 0 DCAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261841438 277166490 /nfs/dbraw/zinc/16/64/90/277166490.db2.gz ITKPVYVPGGETLR-ZIAGYGMSSA-N 2 0 324.469 0.481 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696260 288304695 /nfs/dbraw/zinc/30/46/95/288304695.db2.gz JQDZIWGWTQMNPR-TZMCWYRMSA-N 2 0 318.425 0.511 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000555674600 288359831 /nfs/dbraw/zinc/35/98/31/288359831.db2.gz LOTLJBUNMBALNG-UHFFFAOYSA-N 2 0 312.458 0.386 10 0 DCAERP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCC1 ZINC000560016246 288483749 /nfs/dbraw/zinc/48/37/49/288483749.db2.gz OGYLKYXHOFNYRG-CQSZACIVSA-N 2 0 312.458 0.245 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003848 521712200 /nfs/dbraw/zinc/71/22/00/521712200.db2.gz RSZJBRKFJFQFGB-SMDDNHRTSA-N 2 0 305.426 0.858 10 0 DCAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3nc4ccccn4c3=O)C[C@H]21 ZINC000262353703 657747205 /nfs/dbraw/zinc/74/72/05/657747205.db2.gz VPKPGFUQOPZBAZ-MGPQQGTHSA-N 2 0 301.394 0.555 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729620837 662905953 /nfs/dbraw/zinc/90/59/53/662905953.db2.gz VSYUBKDSFVXONQ-HUUCEWRRSA-N 2 0 319.409 0.078 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000705320613 667303706 /nfs/dbraw/zinc/30/37/06/667303706.db2.gz VFHBTRZUPREZOC-INIZCTEOSA-N 2 0 318.465 0.998 10 0 DCAERP C=CCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000066245261 685065947 /nfs/dbraw/zinc/06/59/47/685065947.db2.gz CQRJHPBZYNSZMS-UHFFFAOYSA-N 2 0 302.426 0.814 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091137005 193003448 /nfs/dbraw/zinc/00/34/48/193003448.db2.gz VQRIUFHRAOLQAW-ZDUSSCGKSA-N 2 0 301.456 0.262 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC[NH+](C)C)C1 ZINC000106427530 194211663 /nfs/dbraw/zinc/21/16/63/194211663.db2.gz LFLWDOBVCBYLSZ-AWEZNQCLSA-N 2 0 317.499 0.754 10 0 DCAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000236908119 395899608 /nfs/dbraw/zinc/89/96/08/395899608.db2.gz DEWKJAABUOIQDJ-CVEARBPZSA-N 2 0 305.422 0.867 10 0 DCAERP CN1CCC(CNC(=O)[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000237159328 395905279 /nfs/dbraw/zinc/90/52/79/395905279.db2.gz WIDLISQXDHPCQQ-OAHLLOKOSA-N 2 0 308.470 0.805 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000245396371 395927200 /nfs/dbraw/zinc/92/72/00/395927200.db2.gz KZVCXDSNDSMUNJ-HUUCEWRRSA-N 2 0 314.474 0.863 10 0 DCAERP C[C@H](O)CN1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000246279193 395946447 /nfs/dbraw/zinc/94/64/47/395946447.db2.gz MKTZSDXIMWRGJG-KGLIPLIRSA-N 2 0 317.433 0.396 10 0 DCAERP C[NH2+][C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000150982235 395976664 /nfs/dbraw/zinc/97/66/64/395976664.db2.gz ZLGWKEYJMWIOFY-OAHLLOKOSA-N 2 0 317.437 0.657 10 0 DCAERP COC(=O)c1cn(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)nn1 ZINC000261731384 396060699 /nfs/dbraw/zinc/06/06/99/396060699.db2.gz HHMVBMBVGJYNCX-HNNXBMFYSA-N 2 0 307.398 0.701 10 0 DCAERP Cc1cnn(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261864324 396073225 /nfs/dbraw/zinc/07/32/25/396073225.db2.gz KRJBKPUQYOJTBS-HOTGVXAUSA-N 2 0 319.453 0.772 10 0 DCAERP O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262142549 396103691 /nfs/dbraw/zinc/10/36/91/396103691.db2.gz HHVLVEMTNHTQNS-AWEZNQCLSA-N 2 0 303.410 0.268 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C[NH3+])cn2)CC1 ZINC000262424185 396139099 /nfs/dbraw/zinc/13/90/99/396139099.db2.gz SATSDUZVZUPYAT-ZDUSSCGKSA-N 2 0 305.426 0.435 10 0 DCAERP CN(C)c1cc[nH+]cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000186391323 396349306 /nfs/dbraw/zinc/34/93/06/396349306.db2.gz UCALEKQEEVMHHB-UHFFFAOYSA-N 2 0 305.426 0.467 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000584686159 396615007 /nfs/dbraw/zinc/61/50/07/396615007.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 2 0 320.437 0.034 10 0 DCAERP C[N@H+](CCC[NH2+]C[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885020 396723061 /nfs/dbraw/zinc/72/30/61/396723061.db2.gz MJWABRXCHQACOK-SFHVURJKSA-N 2 0 321.465 0.791 10 0 DCAERP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000171899893 158387676 /nfs/dbraw/zinc/38/76/76/158387676.db2.gz UERSJSXEJMAMJS-BZUAXINKSA-N 2 0 324.469 0.975 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105193221 415633137 /nfs/dbraw/zinc/63/31/37/415633137.db2.gz KRTKDDPHFQNVKR-MRXNPFEDSA-N 2 0 324.469 0.977 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175954062 416116216 /nfs/dbraw/zinc/11/62/16/416116216.db2.gz WXKSPOBDAJHBPP-HOTGVXAUSA-N 2 0 324.469 0.834 10 0 DCAERP CC[NH+](CC)CCN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000181335880 416206335 /nfs/dbraw/zinc/20/63/35/416206335.db2.gz SJKJPSHOEZDVDQ-UHFFFAOYSA-N 2 0 310.486 0.958 10 0 DCAERP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000358681973 416267998 /nfs/dbraw/zinc/26/79/98/416267998.db2.gz QNLKGZHHWWSFOD-HZPDHXFCSA-N 2 0 324.469 0.735 10 0 DCAERP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247655 416951295 /nfs/dbraw/zinc/95/12/95/416951295.db2.gz RWVFYNNVIVKKKT-MRXNPFEDSA-N 2 0 303.454 1.123 10 0 DCAERP CSC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000188146670 261126072 /nfs/dbraw/zinc/12/60/72/261126072.db2.gz TVZKADFZKZYNML-QXULXFAOSA-N 2 0 313.511 0.953 10 0 DCAERP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000152639789 276809157 /nfs/dbraw/zinc/80/91/57/276809157.db2.gz CKXYXBDRNLUITM-DOTOQJQBSA-N 2 0 307.438 0.588 10 0 DCAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000547272805 288035318 /nfs/dbraw/zinc/03/53/18/288035318.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 0 309.458 0.183 10 0 DCAERP CCN(C)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000130379087 279015091 /nfs/dbraw/zinc/01/50/91/279015091.db2.gz AJSMUNKYXBJRIY-MRXNPFEDSA-N 2 0 310.486 0.957 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000262570222 662489966 /nfs/dbraw/zinc/48/99/66/662489966.db2.gz XKAMDYHNZWKCSC-UMPJEAMMSA-N 2 0 307.438 0.826 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000250612342 685184808 /nfs/dbraw/zinc/18/48/08/685184808.db2.gz MYXWZXVOMYAXOR-HZSPNIEDSA-N 2 0 301.456 0.484 10 0 DCAERP CN1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)([NH+]2CCCCC2)CC1 ZINC000188282060 200220803 /nfs/dbraw/zinc/22/08/03/200220803.db2.gz DQHVPYILUSVYQF-OAHLLOKOSA-N 2 0 324.469 0.041 10 0 DCAERP CC[NH+](CC)CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804948 284575963 /nfs/dbraw/zinc/57/59/63/284575963.db2.gz JCVOFGYAOJPHNN-NSHDSACASA-N 2 0 310.364 0.281 10 0 DCAERP C[NH+](C)[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134299 194078320 /nfs/dbraw/zinc/07/83/20/194078320.db2.gz HEFWXYFIUMWORG-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113604655 285011073 /nfs/dbraw/zinc/01/10/73/285011073.db2.gz MIWPVTGDVOXECP-GOEBONIOSA-N 2 0 324.469 0.975 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368642 285022055 /nfs/dbraw/zinc/02/20/55/285022055.db2.gz DRDJLPRLCMLLDD-HZPDHXFCSA-N 2 0 324.469 0.977 10 0 DCAERP C[NH+](C)CCO[C@H]1C[C@@H]2CN(c3ncc(F)cn3)CC[N@@H+]2C1 ZINC000247941492 257114441 /nfs/dbraw/zinc/11/44/41/257114441.db2.gz ADWURQGPFUTFJP-KGLIPLIRSA-N 2 0 309.389 0.457 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866568 395814781 /nfs/dbraw/zinc/81/47/81/395814781.db2.gz KISLDVHULFQJED-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000238056515 395920328 /nfs/dbraw/zinc/92/03/28/395920328.db2.gz OPJIRIMVSBRWRB-MRXNPFEDSA-N 2 0 303.406 0.887 10 0 DCAERP O=C(C[C@H]1CSCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000238085965 395921570 /nfs/dbraw/zinc/92/15/70/395921570.db2.gz VFLNJQTXMJJIBL-ZDUSSCGKSA-N 2 0 301.456 0.310 10 0 DCAERP C[C@H](CN1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247530506 395975845 /nfs/dbraw/zinc/97/58/45/395975845.db2.gz XLRFJYIGQFFMLV-KFWWJZLASA-N 2 0 310.442 0.585 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC3=[NH+]CCCN3)cn2)CC1 ZINC000066245266 396004360 /nfs/dbraw/zinc/00/43/60/396004360.db2.gz HNCWRTRLJNQYQG-UHFFFAOYSA-N 2 0 302.426 0.662 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)O1 ZINC000262045084 396093056 /nfs/dbraw/zinc/09/30/56/396093056.db2.gz QMPSNINFMZLYGD-UGUYLWEFSA-N 2 0 321.396 0.894 10 0 DCAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000262041095 396093081 /nfs/dbraw/zinc/09/30/81/396093081.db2.gz YNFMXFRSNCVQEO-TWMKSMIVSA-N 2 0 310.486 0.369 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262240180 396114689 /nfs/dbraw/zinc/11/46/89/396114689.db2.gz KUYCNBSRBWXTEG-ULQDDVLXSA-N 2 0 317.433 0.738 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262317921 396122976 /nfs/dbraw/zinc/12/29/76/396122976.db2.gz BVYCSKXHEKLBMC-LZWOXQAQSA-N 2 0 311.470 0.926 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000262416165 396137547 /nfs/dbraw/zinc/13/75/47/396137547.db2.gz ZSGRQEBFYPFXCN-IRXDYDNUSA-N 2 0 317.433 0.595 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572387 396156873 /nfs/dbraw/zinc/15/68/73/396156873.db2.gz XPTMFVOLYKRTID-VWPFQQQWSA-N 2 0 309.454 0.977 10 0 DCAERP [NH3+]C1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000262669831 396170873 /nfs/dbraw/zinc/17/08/73/396170873.db2.gz MYTQKIFFWSXPCX-UHFFFAOYSA-N 2 0 316.405 0.942 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263273784 396211121 /nfs/dbraw/zinc/21/11/21/396211121.db2.gz XRCBXBQWQVJFHT-HNNXBMFYSA-N 2 0 312.458 0.324 10 0 DCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263284646 396211376 /nfs/dbraw/zinc/21/13/76/396211376.db2.gz UUERLBAUANPKJL-OLZOCXBDSA-N 2 0 319.396 0.943 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262928103 396192465 /nfs/dbraw/zinc/19/24/65/396192465.db2.gz ZYEUCRQQUYCBHS-UKRRQHHQSA-N 2 0 317.437 0.561 10 0 DCAERP O[C@@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000263313932 396213659 /nfs/dbraw/zinc/21/36/59/396213659.db2.gz ZDVCVFQKDYMLNK-SJLPKXTDSA-N 2 0 303.450 0.863 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561013873 396628413 /nfs/dbraw/zinc/62/84/13/396628413.db2.gz SHLZECMCNFXBKI-CYBMUJFWSA-N 2 0 300.447 0.243 10 0 DCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000333727154 286093467 /nfs/dbraw/zinc/09/34/67/286093467.db2.gz VONQMPKUHHIRDE-FXUDXRNXSA-N 2 0 324.469 0.879 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262416007 158811661 /nfs/dbraw/zinc/81/16/61/158811661.db2.gz ZQCZQNBKFJNZIN-ULQDDVLXSA-N 2 0 317.433 0.595 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152398763 287041457 /nfs/dbraw/zinc/04/14/57/287041457.db2.gz MVWOUZLTUFAGMZ-GDBMZVCRSA-N 2 0 314.474 0.719 10 0 DCAERP C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000085819930 415506374 /nfs/dbraw/zinc/50/63/74/415506374.db2.gz DDXHYSFYZHUJEK-GJZGRUSLSA-N 2 0 317.499 0.932 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333385794 415631592 /nfs/dbraw/zinc/63/15/92/415631592.db2.gz ODPFOIFFCXKLHT-CQSZACIVSA-N 2 0 310.442 0.635 10 0 DCAERP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333514178 415669726 /nfs/dbraw/zinc/66/97/26/415669726.db2.gz FXRJPQJLRSOVRB-JYJNAYRXSA-N 2 0 324.469 0.758 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000333703789 415719551 /nfs/dbraw/zinc/71/95/51/415719551.db2.gz RFIHKHQRPOAPAX-INIZCTEOSA-N 2 0 324.469 0.882 10 0 DCAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000173914130 416067036 /nfs/dbraw/zinc/06/70/36/416067036.db2.gz MBNYTDSAUPIHTF-GJZGRUSLSA-N 2 0 311.474 0.215 10 0 DCAERP Cc1cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)n2ncnc2n1 ZINC000178979717 416179247 /nfs/dbraw/zinc/17/92/47/416179247.db2.gz BQTSGSSVEQQQOC-UHFFFAOYSA-N 2 0 315.425 0.554 10 0 DCAERP COCC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554763 416335440 /nfs/dbraw/zinc/33/54/40/416335440.db2.gz UMTHYCWPSXDGKL-INIZCTEOSA-N 2 0 305.422 0.955 10 0 DCAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)COC1(C)C[NH2+]C1 ZINC000381806310 417085904 /nfs/dbraw/zinc/08/59/04/417085904.db2.gz ASNSPFTWIUPDTR-UHFFFAOYSA-N 2 0 305.422 0.955 10 0 DCAERP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193475446 261142606 /nfs/dbraw/zinc/14/26/06/261142606.db2.gz XDWBAVKJWHFXOH-HOCLYGCPSA-N 2 0 324.469 0.617 10 0 DCAERP Cn1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333622761 302907890 /nfs/dbraw/zinc/90/78/90/302907890.db2.gz UPIIMSBAIKXJIQ-SUMWQHHRSA-N 2 0 317.437 0.855 10 0 DCAERP CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893055351 659709094 /nfs/dbraw/zinc/70/90/94/659709094.db2.gz BSJNEPZZXXVXPJ-CABCVRRESA-N 2 0 317.499 0.978 10 0 DCAERP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000261965094 661933780 /nfs/dbraw/zinc/93/37/80/661933780.db2.gz ASHBIBOLRIEHBH-CYBMUJFWSA-N 2 0 324.469 0.433 10 0 DCAERP C[NH+]1CCC(O)(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710857243 667446878 /nfs/dbraw/zinc/44/68/78/667446878.db2.gz SDCLYRKODGDMNC-UHFFFAOYSA-N 2 0 313.442 0.900 10 0 DCAERP O[C@@]1(C[NH2+]CCc2csc(-c3ncccn3)n2)CC[NH2+]C1 ZINC000077505526 670427196 /nfs/dbraw/zinc/42/71/96/670427196.db2.gz UFUUEQOBGZEVKJ-CQSZACIVSA-N 2 0 305.407 0.457 10 0 DCAERP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389949062 685258094 /nfs/dbraw/zinc/25/80/94/685258094.db2.gz RQDAAJHXHVBQEC-VNQPRFMTSA-N 2 0 305.422 0.987 10 0 DCAERP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072436391 191166474 /nfs/dbraw/zinc/16/64/74/191166474.db2.gz WRYKNIWXCJKXEV-LBPRGKRZSA-N 2 0 323.466 0.458 10 0 DCAERP C[C@@H]1C[C@@H](C)N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000333316051 252705221 /nfs/dbraw/zinc/70/52/21/252705221.db2.gz STKHHZVKPODGTD-RBSFLKMASA-N 2 0 319.453 0.794 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000167260666 285031864 /nfs/dbraw/zinc/03/18/64/285031864.db2.gz RWKGQKGNAFOUIW-INIZCTEOSA-N 2 0 317.433 0.710 10 0 DCAERP CC[C@@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000152002049 395998274 /nfs/dbraw/zinc/99/82/74/395998274.db2.gz BPFZYTVWIZWERT-HOTGVXAUSA-N 2 0 310.486 0.955 10 0 DCAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000247028669 395964361 /nfs/dbraw/zinc/96/43/61/395964361.db2.gz PPBSJXKPJXPRIY-CVEARBPZSA-N 2 0 323.485 0.360 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000151452118 395986018 /nfs/dbraw/zinc/98/60/18/395986018.db2.gz BMOUVFKTVBUNKT-CQSZACIVSA-N 2 0 312.458 0.569 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248602764 395990506 /nfs/dbraw/zinc/99/05/06/395990506.db2.gz JIBIIJBGPALWNF-ILXRZTDVSA-N 2 0 312.458 0.567 10 0 DCAERP C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382100 396014614 /nfs/dbraw/zinc/01/46/14/396014614.db2.gz JLCSDIDSWKMMKT-RDGKXADDSA-N 2 0 315.483 0.873 10 0 DCAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000262041093 396093174 /nfs/dbraw/zinc/09/31/74/396093174.db2.gz YNFMXFRSNCVQEO-QBPKDAKJSA-N 2 0 310.486 0.369 10 0 DCAERP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262392317 396134507 /nfs/dbraw/zinc/13/45/07/396134507.db2.gz OJGHZHHERGFZEJ-BZUAXINKSA-N 2 0 321.396 0.766 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH2+]C)cn2)CC1 ZINC000262398301 396135594 /nfs/dbraw/zinc/13/55/94/396135594.db2.gz PEDAUQHQTYNOTB-UHFFFAOYSA-N 2 0 305.426 0.449 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000262416162 396137655 /nfs/dbraw/zinc/13/76/55/396137655.db2.gz ZSGRQEBFYPFXCN-DLBZAZTESA-N 2 0 317.433 0.595 10 0 DCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881048 396074914 /nfs/dbraw/zinc/07/49/14/396074914.db2.gz UPTFUNNBDNHKCX-ZBFHGGJFSA-N 2 0 309.454 0.931 10 0 DCAERP CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000262708574 396174857 /nfs/dbraw/zinc/17/48/57/396174857.db2.gz DWMQBEUOMZVRGJ-ZIAGYGMSSA-N 2 0 305.426 0.974 10 0 DCAERP Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263286146 396211309 /nfs/dbraw/zinc/21/13/09/396211309.db2.gz VANDCXBASHLYFE-UKRRQHHQSA-N 2 0 301.394 0.554 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262928102 396192511 /nfs/dbraw/zinc/19/25/11/396192511.db2.gz ZYEUCRQQUYCBHS-HIFRSBDPSA-N 2 0 317.437 0.561 10 0 DCAERP O=C1C[C@H]([NH2+][C@H]2CCCSC2)CN1CCN1CCOCC1 ZINC000183610022 396271665 /nfs/dbraw/zinc/27/16/65/396271665.db2.gz WCXSUNSFYDEEQJ-KBPBESRZSA-N 2 0 313.467 0.405 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NCC3=CC[NH2+]CC3)ccn2)CC1 ZINC000186299392 396347420 /nfs/dbraw/zinc/34/74/20/396347420.db2.gz XPYDRWMCGWSROH-UHFFFAOYSA-N 2 0 315.421 0.483 10 0 DCAERP COCC[NH2+]CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186575956 396352724 /nfs/dbraw/zinc/35/27/24/396352724.db2.gz YHXJDUALRXGBNE-INIZCTEOSA-N 2 0 320.437 0.788 10 0 DCAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188281326 396380794 /nfs/dbraw/zinc/38/07/94/396380794.db2.gz QMQATYSCEHSYTK-CWRNSKLLSA-N 2 0 318.421 0.397 10 0 DCAERP C[C@H]1C[C@@H](N(C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000123883688 158235295 /nfs/dbraw/zinc/23/52/95/158235295.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 0 324.347 0.789 10 0 DCAERP C[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000129535098 158290215 /nfs/dbraw/zinc/29/02/15/158290215.db2.gz ZUVGQQQQLMVRCD-HNNXBMFYSA-N 2 0 312.458 0.692 10 0 DCAERP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134887677 158332133 /nfs/dbraw/zinc/33/21/33/158332133.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 2 0 323.481 0.628 10 0 DCAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000333390777 415634978 /nfs/dbraw/zinc/63/49/78/415634978.db2.gz OTLDGIZASKFXLS-GJZGRUSLSA-N 2 0 311.474 0.311 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000111857337 415698688 /nfs/dbraw/zinc/69/86/88/415698688.db2.gz NDNBZMNQVIPJRS-OAHLLOKOSA-N 2 0 312.458 0.738 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000333798047 415740968 /nfs/dbraw/zinc/74/09/68/415740968.db2.gz HIMUNBZZUYSQKC-QLFBSQMISA-N 2 0 312.458 0.615 10 0 DCAERP c1cncc(C[NH2+]CCCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423186336 416475623 /nfs/dbraw/zinc/47/56/23/416475623.db2.gz LAZJFGHZCARHPM-IAGOWNOFSA-N 2 0 304.438 0.918 10 0 DCAERP C[NH+]1CCC(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000362715594 262063576 /nfs/dbraw/zinc/06/35/76/262063576.db2.gz LCRKYCYINYYPGV-OAHLLOKOSA-N 2 0 324.469 0.422 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000179855070 277637789 /nfs/dbraw/zinc/63/77/89/277637789.db2.gz LUFBZMZZOMLUOR-DOMZBBRYSA-N 2 0 301.406 0.239 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000546566503 288018769 /nfs/dbraw/zinc/01/87/69/288018769.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 2 0 323.485 0.574 10 0 DCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117034391 279124510 /nfs/dbraw/zinc/12/45/10/279124510.db2.gz QBBKVAMZYZODLZ-CABCVRRESA-N 2 0 314.474 0.935 10 0 DCAERP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261765080 545976693 /nfs/dbraw/zinc/97/66/93/545976693.db2.gz NWKZJLGYHLJHOJ-HZPDHXFCSA-N 2 0 310.486 0.751 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261781350 545977117 /nfs/dbraw/zinc/97/71/17/545977117.db2.gz PFQBUEPTCGYOLT-HUUCEWRRSA-N 2 0 324.469 0.374 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333795005 546092714 /nfs/dbraw/zinc/09/27/14/546092714.db2.gz GVCWCZHDSZWZDI-JKSUJKDBSA-N 2 0 323.485 0.407 10 0 DCAERP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000262072037 662016676 /nfs/dbraw/zinc/01/66/76/662016676.db2.gz KBQALMRCHOAUEE-HNNXBMFYSA-N 2 0 322.453 0.143 10 0 DCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1C[NH3+] ZINC000165322091 664410179 /nfs/dbraw/zinc/41/01/79/664410179.db2.gz CMJLXTUCNXVJJG-HZSPNIEDSA-N 2 0 303.472 0.575 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000130265405 297275050 /nfs/dbraw/zinc/27/50/50/297275050.db2.gz YUBOIWUINXYGHO-UMVBOHGHSA-N 2 0 310.442 0.584 10 0 DCAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000019995074 182175534 /nfs/dbraw/zinc/17/55/34/182175534.db2.gz AVDVXQRPPHLLMX-QWHCGFSZSA-N 2 0 321.487 0.375 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000105862552 194149380 /nfs/dbraw/zinc/14/93/80/194149380.db2.gz RAJWIQOLEQAOOW-ZDUSSCGKSA-N 2 0 311.426 0.160 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866566 285033692 /nfs/dbraw/zinc/03/36/92/285033692.db2.gz KISLDVHULFQJED-GJZGRUSLSA-N 2 0 312.458 0.833 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868070 285034077 /nfs/dbraw/zinc/03/40/77/285034077.db2.gz DRDJLPRLCMLLDD-HOTGVXAUSA-N 2 0 324.469 0.977 10 0 DCAERP [NH3+]CCCCCNC(=O)CCCC(=O)NCCCCC[NH3+] ZINC000225821371 395863768 /nfs/dbraw/zinc/86/37/68/395863768.db2.gz KBHVBDRIMJTBIF-UHFFFAOYSA-N 2 0 300.447 0.647 10 0 DCAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024539 395964688 /nfs/dbraw/zinc/96/46/88/395964688.db2.gz MCBSGBMMQZHRQM-LSDHHAIUSA-N 2 0 306.410 0.951 10 0 DCAERP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970700 /nfs/dbraw/zinc/97/07/00/395970700.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 2 0 306.410 0.000 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000247597467 395976549 /nfs/dbraw/zinc/97/65/49/395976549.db2.gz SQAAFWPUKOXFFO-HOTGVXAUSA-N 2 0 324.469 0.977 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248578879 395990331 /nfs/dbraw/zinc/99/03/31/395990331.db2.gz FBAFKHARGIZZBJ-GJZGRUSLSA-N 2 0 314.474 0.815 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)O1 ZINC000261675774 396055383 /nfs/dbraw/zinc/05/53/83/396055383.db2.gz AKDKEAONSBCXKI-ZNMIVQPWSA-N 2 0 311.426 0.064 10 0 DCAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262012545 396089949 /nfs/dbraw/zinc/08/99/49/396089949.db2.gz WPEJCSQDKMWQBU-HOTGVXAUSA-N 2 0 305.422 0.867 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000262316254 396123087 /nfs/dbraw/zinc/12/30/87/396123087.db2.gz QVSZAKWSGKTOEA-CVEARBPZSA-N 2 0 319.453 0.714 10 0 DCAERP CC[NH+]1CCN(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000261873955 396074452 /nfs/dbraw/zinc/07/44/52/396074452.db2.gz SRABTBWDMZJGHN-XYPWUTKMSA-N 2 0 308.470 0.755 10 0 DCAERP CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261955377 396084094 /nfs/dbraw/zinc/08/40/94/396084094.db2.gz ABRSGHBTLJYHDN-CQSZACIVSA-N 2 0 310.442 0.045 10 0 DCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000187958076 396377008 /nfs/dbraw/zinc/37/70/08/396377008.db2.gz RLRUDCVGEQYJJD-DZGCQCFKSA-N 2 0 309.385 0.880 10 0 DCAERP CO[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530411121 396577303 /nfs/dbraw/zinc/57/73/03/396577303.db2.gz GHKRYAJYEPGKPX-KBPBESRZSA-N 2 0 300.447 0.689 10 0 DCAERP CC[N@H+](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000578521736 397447768 /nfs/dbraw/zinc/44/77/68/397447768.db2.gz KQWUTHDNYDTFLE-LSDHHAIUSA-N 2 0 320.441 0.341 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171040054 158379564 /nfs/dbraw/zinc/37/95/64/158379564.db2.gz ZMWMUGMRASCFJR-MRXNPFEDSA-N 2 0 324.469 0.979 10 0 DCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000180753369 287089799 /nfs/dbraw/zinc/08/97/99/287089799.db2.gz BOQFNTAISXRBHF-ZIAGYGMSSA-N 2 0 324.469 0.710 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000111856657 415697080 /nfs/dbraw/zinc/69/70/80/415697080.db2.gz BMEFYIZAMCHWSM-UKRRQHHQSA-N 2 0 312.458 0.879 10 0 DCAERP COCC[N@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119372825 415745482 /nfs/dbraw/zinc/74/54/82/415745482.db2.gz ZSVADVCXGJRBSH-UHFFFAOYSA-N 2 0 314.474 0.984 10 0 DCAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333947880 415768871 /nfs/dbraw/zinc/76/88/71/415768871.db2.gz VVQSGKHZZKLOLO-RDBSUJKOSA-N 2 0 312.458 0.471 10 0 DCAERP C[NH+](C)CCn1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000177551938 416148624 /nfs/dbraw/zinc/14/86/24/416148624.db2.gz VCSOOXFCOZMEJP-ZDUSSCGKSA-N 2 0 324.429 0.239 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000178781306 416172229 /nfs/dbraw/zinc/17/22/29/416172229.db2.gz CVODDERBTDKNMB-CQSZACIVSA-N 2 0 303.410 0.315 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000178781297 416172558 /nfs/dbraw/zinc/17/25/58/416172558.db2.gz CVODDERBTDKNMB-AWEZNQCLSA-N 2 0 303.410 0.315 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178886679 416175459 /nfs/dbraw/zinc/17/54/59/416175459.db2.gz QDHBSAANZQXHHN-CABCVRRESA-N 2 0 319.453 0.809 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CCC[NH2+]CC3)ccn2)CC1 ZINC000178362998 416163147 /nfs/dbraw/zinc/16/31/47/416163147.db2.gz XAORDBOOYGOIIC-UHFFFAOYSA-N 2 0 303.410 0.269 10 0 DCAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247147699 416332521 /nfs/dbraw/zinc/33/25/21/416332521.db2.gz PQXDUBWXDOWOGE-GJZGRUSLSA-N 2 0 312.458 0.690 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262540365 416337012 /nfs/dbraw/zinc/33/70/12/416337012.db2.gz QYIFJAVFXAJQJK-WFTWPBCJSA-N 2 0 307.438 0.872 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)NC1CC[NH+](C2CC2)CC1 ZINC000533812235 416490317 /nfs/dbraw/zinc/49/03/17/416490317.db2.gz QSZKOFJFLPWOOF-UHFFFAOYSA-N 2 0 303.410 0.841 10 0 DCAERP CC[NH+](CC)CC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459288977 416530138 /nfs/dbraw/zinc/53/01/38/416530138.db2.gz AETOBANSVCFULP-ZDUSSCGKSA-N 2 0 310.442 0.981 10 0 DCAERP CC(=O)N1CCN(CCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000514944741 416685447 /nfs/dbraw/zinc/68/54/47/416685447.db2.gz CEMANWKTLVZHFH-UHFFFAOYSA-N 2 0 318.421 0.082 10 0 DCAERP C[C@@H](CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC000548345529 416686649 /nfs/dbraw/zinc/68/66/49/416686649.db2.gz ZTFOYZZWQFVXOI-JSGCOSHPSA-N 2 0 305.426 1.382 10 0 DCAERP c1nc2n(n1)[C@H](C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000631829938 416758262 /nfs/dbraw/zinc/75/82/62/416758262.db2.gz FEKYOPIVBHKIHW-LSDHHAIUSA-N 2 0 305.426 0.856 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781202 417354922 /nfs/dbraw/zinc/35/49/22/417354922.db2.gz MGDJKXMGNCHZRT-OIISXLGYSA-N 2 0 317.433 0.859 10 0 DCAERP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000580477850 417705709 /nfs/dbraw/zinc/70/57/09/417705709.db2.gz GHNVEZPAETUUIT-MLGOLLRUSA-N 2 0 307.394 0.933 10 0 DCAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193475459 261142164 /nfs/dbraw/zinc/14/21/64/261142164.db2.gz XDWBAVKJWHFXOH-GDBMZVCRSA-N 2 0 324.469 0.617 10 0 DCAERP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000408381475 278447896 /nfs/dbraw/zinc/44/78/96/278447896.db2.gz KYNXIONLQRBIIU-CHWSQXEVSA-N 2 0 309.454 0.963 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000176579076 289199429 /nfs/dbraw/zinc/19/94/29/289199429.db2.gz SYWWGRFFXBAWEE-SOUVJXGZSA-N 2 0 312.458 0.831 10 0 DCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000333749243 295224430 /nfs/dbraw/zinc/22/44/30/295224430.db2.gz YTLFNIDGBKYYEC-KBMXLJTQSA-N 2 0 318.421 0.883 10 0 DCAERP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262423099 295234297 /nfs/dbraw/zinc/23/42/97/295234297.db2.gz GEDFNSMLZBSPGU-TUVASFSCSA-N 2 0 322.453 0.221 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261871564 303425418 /nfs/dbraw/zinc/42/54/18/303425418.db2.gz XWTZZIUHXOIGHM-ARFHVFGLSA-N 2 0 309.454 0.932 10 0 DCAERP CN(CCn1nc2ccccn2c1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261945075 658869968 /nfs/dbraw/zinc/86/99/68/658869968.db2.gz MFFGUWICNZIPQD-PBWFPOADSA-N 2 0 301.394 0.711 10 0 DCAERP CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893055354 659709448 /nfs/dbraw/zinc/70/94/48/659709448.db2.gz BSJNEPZZXXVXPJ-GJZGRUSLSA-N 2 0 317.499 0.978 10 0 DCAERP CN(C[C@@H]1CCc2nccn2C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897472647 662769434 /nfs/dbraw/zinc/76/94/34/662769434.db2.gz KUWQZEYSINNUJN-DZGCQCFKSA-N 2 0 318.421 0.625 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729620838 662905917 /nfs/dbraw/zinc/90/59/17/662905917.db2.gz VSYUBKDSFVXONQ-LSDHHAIUSA-N 2 0 319.409 0.078 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000193653595 395776074 /nfs/dbraw/zinc/77/60/74/395776074.db2.gz GXZRAUCKPWAJRK-GASCZTMLSA-N 2 0 308.470 0.469 10 0 DCAERP C[C@H](CN1CCOCC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194661709 395803810 /nfs/dbraw/zinc/80/38/10/395803810.db2.gz SPFHODKBWUFLCS-CQSZACIVSA-N 2 0 310.442 0.587 10 0 DCAERP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000111683910 395812123 /nfs/dbraw/zinc/81/21/23/395812123.db2.gz WHXMSGMORSBUJA-INIZCTEOSA-N 2 0 309.454 0.778 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)ccn2)CC1 ZINC000195271887 395823211 /nfs/dbraw/zinc/82/32/11/395823211.db2.gz ZAXAUPINMYSLAS-GASCZTMLSA-N 2 0 315.421 0.125 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000130265035 395922425 /nfs/dbraw/zinc/92/24/25/395922425.db2.gz YUBOIWUINXYGHO-VNHYZAJKSA-N 2 0 310.442 0.584 10 0 DCAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247599805 395976473 /nfs/dbraw/zinc/97/64/73/395976473.db2.gz UERSJSXEJMAMJS-XHSDSOJGSA-N 2 0 324.469 0.975 10 0 DCAERP CC(C)C[N@H+]1CCc2nnc([C@H]3CC[NH+](CCCO)C3)n2CC1 ZINC000257188805 396035304 /nfs/dbraw/zinc/03/53/04/396035304.db2.gz GIKNDUQHRSPMEF-HNNXBMFYSA-N 2 0 321.469 0.964 10 0 DCAERP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000262331307 396125417 /nfs/dbraw/zinc/12/54/17/396125417.db2.gz SNACIRIMYJRGOJ-CYBMUJFWSA-N 2 0 306.410 0.686 10 0 DCAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)CC[NH2+]1 ZINC000262333938 396126126 /nfs/dbraw/zinc/12/61/26/396126126.db2.gz FWHYYWFJHMLIFZ-HOCLYGCPSA-N 2 0 310.486 0.764 10 0 DCAERP [NH3+]C1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000261916398 396078616 /nfs/dbraw/zinc/07/86/16/396078616.db2.gz UKZYXHKQJULQKN-UHFFFAOYSA-N 2 0 303.406 0.669 10 0 DCAERP CC(C)[N@@H+]1CCc2nc(CNC[C@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263195626 396205288 /nfs/dbraw/zinc/20/52/88/396205288.db2.gz IJACRUYAJJJHFV-DGCLKSJQSA-N 2 0 310.467 0.580 10 0 DCAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COC(C)(C)C ZINC000182951011 396257597 /nfs/dbraw/zinc/25/75/97/396257597.db2.gz QMOGQSKSFSUBPM-OAHLLOKOSA-N 2 0 301.475 0.732 10 0 DCAERP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527751834 396548009 /nfs/dbraw/zinc/54/80/09/396548009.db2.gz CUKDPRLFLCUGPZ-LZLYRXPVSA-N 2 0 323.481 0.819 10 0 DCAERP CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309737198 396760324 /nfs/dbraw/zinc/76/03/24/396760324.db2.gz URVPEMVFXSJYTA-KRWDZBQOSA-N 2 0 316.449 0.625 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333725732 396931254 /nfs/dbraw/zinc/93/12/54/396931254.db2.gz VJICMZQVRDLOSA-LSDHHAIUSA-N 2 0 309.458 0.160 10 0 DCAERP C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000333840267 396933787 /nfs/dbraw/zinc/93/37/87/396933787.db2.gz ODKBLMPRRKGAHV-UONOGXRCSA-N 2 0 312.458 0.615 10 0 DCAERP C[NH+](C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114539396 158154439 /nfs/dbraw/zinc/15/44/39/158154439.db2.gz WFXQASRKGIJESG-UHFFFAOYSA-N 2 0 305.426 0.353 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000171498033 158383510 /nfs/dbraw/zinc/38/35/10/158383510.db2.gz CZLAICVFUQYYLC-LBPRGKRZSA-N 2 0 306.414 0.417 10 0 DCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261911004 158752308 /nfs/dbraw/zinc/75/23/08/158752308.db2.gz XOBKYOJZDLHANH-KFWWJZLASA-N 2 0 313.442 0.452 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000262080251 158770637 /nfs/dbraw/zinc/77/06/37/158770637.db2.gz CIZRCQRTADGNBQ-FPCVCCKLSA-N 2 0 319.453 0.712 10 0 DCAERP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)[C@@H](C)C[N@@H+]1C ZINC000408389745 160098122 /nfs/dbraw/zinc/09/81/22/160098122.db2.gz NSEOTCNJDFLGSP-RDBSUJKOSA-N 2 0 305.426 0.967 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333611153 415695847 /nfs/dbraw/zinc/69/58/47/415695847.db2.gz QORXESRVDBTXOT-KKUMJFAQSA-N 2 0 312.458 0.329 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000114456489 415721435 /nfs/dbraw/zinc/72/14/35/415721435.db2.gz ZTVLZGMONLOGEC-ZIAGYGMSSA-N 2 0 324.469 0.561 10 0 DCAERP CC1(C)CN(CCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCO1 ZINC000333805646 415744055 /nfs/dbraw/zinc/74/40/55/415744055.db2.gz OTJPEFMJQMKFFT-UHFFFAOYSA-N 2 0 324.469 0.882 10 0 DCAERP CN(CC[NH+](C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000119471371 415746254 /nfs/dbraw/zinc/74/62/54/415746254.db2.gz DOMFOXPPCPLKOA-UHFFFAOYSA-N 2 0 305.426 0.467 10 0 DCAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000164732007 416018792 /nfs/dbraw/zinc/01/87/92/416018792.db2.gz MCHNWPQKLYXNCV-CVEARBPZSA-N 2 0 303.406 0.621 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170826544 416034224 /nfs/dbraw/zinc/03/42/24/416034224.db2.gz KUKFNBAMSJKHMN-GJZGRUSLSA-N 2 0 312.458 0.689 10 0 DCAERP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000179043481 416181207 /nfs/dbraw/zinc/18/12/07/416181207.db2.gz ZPUVJCUQARFNSA-MRXNPFEDSA-N 2 0 317.437 0.870 10 0 DCAERP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000358681980 416268531 /nfs/dbraw/zinc/26/85/31/416268531.db2.gz QNLKGZHHWWSFOD-JKSUJKDBSA-N 2 0 324.469 0.735 10 0 DCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262276938 416336577 /nfs/dbraw/zinc/33/65/77/416336577.db2.gz JWYMBZCSFWDXQX-OWCLPIDISA-N 2 0 310.486 0.894 10 0 DCAERP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN2CCCC[C@H]2C1 ZINC000237907520 416329313 /nfs/dbraw/zinc/32/93/13/416329313.db2.gz QMPPNNUDDXKVTF-AWEZNQCLSA-N 2 0 318.425 0.513 10 0 DCAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422982094 416454954 /nfs/dbraw/zinc/45/49/54/416454954.db2.gz VMXIJLVGFVIWIB-ROUUACIJSA-N 2 0 321.465 0.967 10 0 DCAERP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247654 416952773 /nfs/dbraw/zinc/95/27/73/416952773.db2.gz RWVFYNNVIVKKKT-INIZCTEOSA-N 2 0 303.454 1.123 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455653381 417615087 /nfs/dbraw/zinc/61/50/87/417615087.db2.gz AWGLRCRTEFOTDH-CYBMUJFWSA-N 2 0 308.430 0.908 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)CCOC ZINC000177486935 279297659 /nfs/dbraw/zinc/29/76/59/279297659.db2.gz IQTKWYNBKDMTDI-CQSZACIVSA-N 2 0 300.447 0.690 10 0 DCAERP CC1(C)C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH3+] ZINC000261732405 281245249 /nfs/dbraw/zinc/24/52/49/281245249.db2.gz LIHVJPPEFWTDKR-OLZOCXBDSA-N 2 0 303.472 0.717 10 0 DCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333928415 289037891 /nfs/dbraw/zinc/03/78/91/289037891.db2.gz XGRQLZOBKVCMKS-YIDVYQOGSA-N 2 0 324.469 0.471 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000570950872 333171525 /nfs/dbraw/zinc/17/15/25/333171525.db2.gz KLNDLZJFSPEPOR-NFAWXSAZSA-N 2 0 320.437 0.034 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000246731727 524442815 /nfs/dbraw/zinc/44/28/15/524442815.db2.gz YJQCFGIABSAGKV-WCVJEAGWSA-N 2 0 308.470 0.659 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000237447117 524444389 /nfs/dbraw/zinc/44/43/89/524444389.db2.gz ORNBIUCLADJHBJ-QZWWFDLISA-N 2 0 322.497 0.907 10 0 DCAERP C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150526 525033624 /nfs/dbraw/zinc/03/36/24/525033624.db2.gz LJRDVQINSVQXPE-KBPBESRZSA-N 2 0 314.474 0.935 10 0 DCAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000189015172 545919391 /nfs/dbraw/zinc/91/93/91/545919391.db2.gz ZJTGPKDFWNFTBZ-KBXIAJHMSA-N 2 0 322.453 0.043 10 0 DCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000342084247 546117425 /nfs/dbraw/zinc/11/74/25/546117425.db2.gz BDJVEVIUTPOJSC-XQLPTFJDSA-N 2 0 312.458 0.566 10 0 DCAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1C[NH3+] ZINC000251583901 665611698 /nfs/dbraw/zinc/61/16/98/665611698.db2.gz CMJLXTUCNXVJJG-RDBSUJKOSA-N 2 0 303.472 0.575 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702407852 666954791 /nfs/dbraw/zinc/95/47/91/666954791.db2.gz GHDORISBHXJTNA-HOTGVXAUSA-N 2 0 304.438 0.514 10 0 DCAERP CS(=O)(=O)N[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702955469 667018422 /nfs/dbraw/zinc/01/84/22/667018422.db2.gz VHLORXVOWGWQOR-GSPSYOTPSA-N 2 0 301.456 0.531 10 0 DCAERP O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000390702321 685260203 /nfs/dbraw/zinc/26/02/03/685260203.db2.gz DMNDKDXKTLCZKQ-HZPDHXFCSA-N 2 0 323.462 0.932 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCC[NH+](C)C)C1 ZINC000106427527 194212318 /nfs/dbraw/zinc/21/23/18/194212318.db2.gz LFLWDOBVCBYLSZ-CQSZACIVSA-N 2 0 317.499 0.754 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866569 285021714 /nfs/dbraw/zinc/02/17/14/285021714.db2.gz KISLDVHULFQJED-CABCVRRESA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033903 395850782 /nfs/dbraw/zinc/85/07/82/395850782.db2.gz XAXUAUGEYIDPPU-UKRRQHHQSA-N 2 0 310.442 0.443 10 0 DCAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000238076079 395920411 /nfs/dbraw/zinc/92/04/11/395920411.db2.gz CYZMQJNORNKENJ-CVEARBPZSA-N 2 0 303.406 0.490 10 0 DCAERP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119679414 395873715 /nfs/dbraw/zinc/87/37/15/395873715.db2.gz KJDMMCVLIRMANV-CQSZACIVSA-N 2 0 305.488 0.236 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246456101 395950925 /nfs/dbraw/zinc/95/09/25/395950925.db2.gz YDDOESBNPQZOHR-INIZCTEOSA-N 2 0 308.470 0.755 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247366846 395972578 /nfs/dbraw/zinc/97/25/78/395972578.db2.gz OXGCUWWBWFJMGF-LSDHHAIUSA-N 2 0 314.474 0.983 10 0 DCAERP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248650700 395993026 /nfs/dbraw/zinc/99/30/26/395993026.db2.gz UTHNMNCVMJSPJW-KBPBESRZSA-N 2 0 300.447 0.425 10 0 DCAERP C[N@H+](CCC(=O)Nc1ccccc1F)CC(=O)N1CC[NH2+]CC1 ZINC000261784262 396065928 /nfs/dbraw/zinc/06/59/28/396065928.db2.gz SFLNDSMPBJTMEC-UHFFFAOYSA-N 2 0 322.384 0.518 10 0 DCAERP C[C@@H]1CN(CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276129 396005664 /nfs/dbraw/zinc/00/56/64/396005664.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 0 324.513 0.809 10 0 DCAERP C[C@@H](C(=O)N1CCCCCC1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261983823 396086558 /nfs/dbraw/zinc/08/65/58/396086558.db2.gz RTJGNODQMFFKLF-AWEZNQCLSA-N 2 0 310.442 0.141 10 0 DCAERP COc1c(C)cnc(CN(C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000261996557 396088582 /nfs/dbraw/zinc/08/85/82/396088582.db2.gz UOQWRLZEWFHZMA-UHFFFAOYSA-N 2 0 306.410 0.571 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262397165 396134963 /nfs/dbraw/zinc/13/49/63/396134963.db2.gz YJHXRFJIMFWJRC-OAGGEKHMSA-N 2 0 319.453 0.666 10 0 DCAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])COC)CC1 ZINC000262417693 396137839 /nfs/dbraw/zinc/13/78/39/396137839.db2.gz RIRVUYPQPMNOJU-CYBMUJFWSA-N 2 0 306.410 0.741 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000262429700 396138774 /nfs/dbraw/zinc/13/87/74/396138774.db2.gz FSLMVJTZNJKWQQ-KFNAQCHYSA-N 2 0 304.394 0.758 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179286185 396225257 /nfs/dbraw/zinc/22/52/57/396225257.db2.gz ODYFGJBINNSRFF-OAHLLOKOSA-N 2 0 311.474 0.358 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560727449 396624223 /nfs/dbraw/zinc/62/42/23/396624223.db2.gz DMAJESLADAREJX-UHFFFAOYSA-N 2 0 312.458 0.245 10 0 DCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000309745834 396759329 /nfs/dbraw/zinc/75/93/29/396759329.db2.gz UFZZPJLTAHTZPH-OAHLLOKOSA-N 2 0 304.438 0.528 10 0 DCAERP CCOC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182624736 286141919 /nfs/dbraw/zinc/14/19/19/286141919.db2.gz SPCDBKPSBOZUQM-WFVVYAPDSA-N 2 0 311.470 0.627 10 0 DCAERP C[C@@H](Cn1cccn1)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000069453231 158045159 /nfs/dbraw/zinc/04/51/59/158045159.db2.gz ASFPMJDDRMGDRX-ZDUSSCGKSA-N 2 0 305.426 0.604 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117031563 158170496 /nfs/dbraw/zinc/17/04/96/158170496.db2.gz FVEVBMZAZYFUOU-KGLIPLIRSA-N 2 0 300.447 0.689 10 0 DCAERP CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000125157763 158252397 /nfs/dbraw/zinc/25/23/97/158252397.db2.gz DVJMTGSHMLZTCZ-JKSUJKDBSA-N 2 0 310.486 0.955 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000262080255 158770164 /nfs/dbraw/zinc/77/01/64/158770164.db2.gz CIZRCQRTADGNBQ-JJXSEGSLSA-N 2 0 319.453 0.712 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413636 287068913 /nfs/dbraw/zinc/06/89/13/287068913.db2.gz BPQXXHCQHSTJEI-JSGCOSHPSA-N 2 0 308.426 0.246 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)CN2CCOCC2)CC1 ZINC000180478053 287086594 /nfs/dbraw/zinc/08/65/94/287086594.db2.gz ABNNCBCQWVOVFP-HZPDHXFCSA-N 2 0 313.486 0.732 10 0 DCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248462685 287097765 /nfs/dbraw/zinc/09/77/65/287097765.db2.gz WPFOPOAVGMHBKD-ZFWWWQNUSA-N 2 0 312.458 0.567 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000333433362 415646820 /nfs/dbraw/zinc/64/68/20/415646820.db2.gz UZESQKHGRIOXCY-BZPMIXESSA-N 2 0 300.472 0.721 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000173397547 416057701 /nfs/dbraw/zinc/05/77/01/416057701.db2.gz WCKUSXMAPAKUDE-MRXNPFEDSA-N 2 0 322.453 0.753 10 0 DCAERP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178889343 416175607 /nfs/dbraw/zinc/17/56/07/416175607.db2.gz YPJHRZWPTXCHPD-HOCLYGCPSA-N 2 0 320.437 0.644 10 0 DCAERP CN1CCC(CNC(=O)[C@@H]2COCCN2)([NH+]2CCCCC2)CC1 ZINC000178891044 416175742 /nfs/dbraw/zinc/17/57/42/416175742.db2.gz WITWOSXRXGVINV-HNNXBMFYSA-N 3 0 324.469 0.041 10 0 DCAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000179855085 416191652 /nfs/dbraw/zinc/19/16/52/416191652.db2.gz LUFBZMZZOMLUOR-SWLSCSKDSA-N 2 0 301.406 0.239 10 0 DCAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262389431 416336838 /nfs/dbraw/zinc/33/68/38/416336838.db2.gz XTHIXWVBPQOGHT-CVEARBPZSA-N 2 0 319.453 0.523 10 0 DCAERP CC1=CC[NH+](CCNC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000361568062 416451893 /nfs/dbraw/zinc/45/18/93/416451893.db2.gz WWNLAJRHGVZVEN-UHFFFAOYSA-N 2 0 324.469 0.737 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCCOCC2)CC1 ZINC000446653775 416938988 /nfs/dbraw/zinc/93/89/88/416938988.db2.gz OBFSEKFDGKJVMD-UHFFFAOYSA-N 2 0 310.442 0.660 10 0 DCAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638802732 417561335 /nfs/dbraw/zinc/56/13/35/417561335.db2.gz BZAZVWGEKGDMLI-SJORKVTESA-N 2 0 317.433 0.861 10 0 DCAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638802730 417562880 /nfs/dbraw/zinc/56/28/80/417562880.db2.gz BZAZVWGEKGDMLI-IAGOWNOFSA-N 2 0 317.433 0.861 10 0 DCAERP C[NH+](C)Cc1ccc(N2CCN(C(=O)C[NH2+]C3CC3)CC2)nc1 ZINC000182167329 261115568 /nfs/dbraw/zinc/11/55/68/261115568.db2.gz POEOIDJJXZMTGF-UHFFFAOYSA-N 2 0 317.437 0.544 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000358660296 271065228 /nfs/dbraw/zinc/06/52/28/271065228.db2.gz GDXYWCVFOYBCSM-INIZCTEOSA-N 2 0 324.469 0.784 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000546566502 288018852 /nfs/dbraw/zinc/01/88/52/288018852.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 2 0 323.485 0.574 10 0 DCAERP CCC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000157860010 520972838 /nfs/dbraw/zinc/97/28/38/520972838.db2.gz MIIGKHBETGPXBJ-HUUCEWRRSA-N 2 0 324.469 0.482 10 0 DCAERP C[NH+]1CCC(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000105134367 194077779 /nfs/dbraw/zinc/07/77/79/194077779.db2.gz JSPUZDYBIKIQGQ-UHFFFAOYSA-N 2 0 312.458 0.740 10 0 DCAERP C[C@@H]1C[C@@H](C)N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000333315641 252705449 /nfs/dbraw/zinc/70/54/49/252705449.db2.gz STKHHZVKPODGTD-KFWWJZLASA-N 2 0 319.453 0.794 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044234 395850375 /nfs/dbraw/zinc/85/03/75/395850375.db2.gz BYQGSELYXPHLEQ-UONOGXRCSA-N 2 0 300.447 0.689 10 0 DCAERP C[NH+](C)CCOc1ccccc1C(=O)NCCN1CC[NH2+]CC1 ZINC000237185201 395905893 /nfs/dbraw/zinc/90/58/93/395905893.db2.gz WSUMADUTPJAHMH-UHFFFAOYSA-N 2 0 320.437 0.262 10 0 DCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058295846 395952375 /nfs/dbraw/zinc/95/23/75/395952375.db2.gz DACNQOPOLHHJDZ-CQSZACIVSA-N 2 0 306.458 0.540 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246935164 395961658 /nfs/dbraw/zinc/96/16/58/395961658.db2.gz BYQGSELYXPHLEQ-KGLIPLIRSA-N 2 0 300.447 0.689 10 0 DCAERP O=C(C[N@H+]1CCCC[C@@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000069249463 396073829 /nfs/dbraw/zinc/07/38/29/396073829.db2.gz IPIOYUMLSXXFGC-OAHLLOKOSA-N 2 0 309.454 0.966 10 0 DCAERP O=c1n2ccccc2nn1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261696149 396057812 /nfs/dbraw/zinc/05/78/12/396057812.db2.gz JMZCCLLLEZUXBS-OAHLLOKOSA-N 2 0 315.421 0.960 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262400492 396135528 /nfs/dbraw/zinc/13/55/28/396135528.db2.gz YNCPHCITUHMNRF-YUELXQCFSA-N 2 0 307.442 0.570 10 0 DCAERP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261938944 396081968 /nfs/dbraw/zinc/08/19/68/396081968.db2.gz KZFCZTLKUADQEP-XHSDSOJGSA-N 2 0 308.470 0.661 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000263237838 396208640 /nfs/dbraw/zinc/20/86/40/396208640.db2.gz KENSHFVBPCUPMY-HNNXBMFYSA-N 2 0 312.458 0.467 10 0 DCAERP CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000262708570 396174195 /nfs/dbraw/zinc/17/41/95/396174195.db2.gz DWMQBEUOMZVRGJ-KGLIPLIRSA-N 2 0 305.426 0.974 10 0 DCAERP COC[C@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187215261 396365177 /nfs/dbraw/zinc/36/51/77/396365177.db2.gz XLYVADKZJPVUBC-IAGOWNOFSA-N 2 0 313.486 0.996 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189431294 396395768 /nfs/dbraw/zinc/39/57/68/396395768.db2.gz OPUYDQZCKOKNHS-ZIAGYGMSSA-N 2 0 301.456 0.581 10 0 DCAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117034386 158170726 /nfs/dbraw/zinc/17/07/26/158170726.db2.gz QBBKVAMZYZODLZ-HUUCEWRRSA-N 2 0 314.474 0.935 10 0 DCAERP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cn2)CC1 ZINC000262648947 158832628 /nfs/dbraw/zinc/83/26/28/158832628.db2.gz PZNMYGHXGASJAF-CABCVRRESA-N 2 0 317.437 0.577 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000367242410 159324032 /nfs/dbraw/zinc/32/40/32/159324032.db2.gz AAMDLNBSXJMIOX-KRWDZBQOSA-N 2 0 310.486 0.419 10 0 DCAERP CN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333514185 415670851 /nfs/dbraw/zinc/67/08/51/415670851.db2.gz FXRJPQJLRSOVRB-PMPSAXMXSA-N 2 0 324.469 0.758 10 0 DCAERP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+]1CCOC)C1CC1 ZINC000111849974 415698479 /nfs/dbraw/zinc/69/84/79/415698479.db2.gz YZUBODDWFPXXGG-OAHLLOKOSA-N 2 0 312.458 0.881 10 0 DCAERP CC[N@H+](CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000175744542 416113026 /nfs/dbraw/zinc/11/30/26/416113026.db2.gz HAVXLAOQVMEVEV-GOEBONIOSA-N 2 0 324.469 0.833 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000192546503 416308340 /nfs/dbraw/zinc/30/83/40/416308340.db2.gz DJVXDWZNHPPFKX-OAHLLOKOSA-N 2 0 315.483 0.972 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262540363 416337005 /nfs/dbraw/zinc/33/70/05/416337005.db2.gz QYIFJAVFXAJQJK-DPYKFYPSSA-N 2 0 307.438 0.872 10 0 DCAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000237931906 416329118 /nfs/dbraw/zinc/32/91/18/416329118.db2.gz CAZPWSSLWIYRAJ-CVEARBPZSA-N 2 0 321.465 0.947 10 0 DCAERP OC1(CNC2=[NH+]CCCN2)CC[NH+](Cc2ccccc2)CC1 ZINC000397687397 262163972 /nfs/dbraw/zinc/16/39/72/262163972.db2.gz OLXHFMLVTMXTBO-UHFFFAOYSA-N 2 0 302.422 0.952 10 0 DCAERP CO[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530411123 287747583 /nfs/dbraw/zinc/74/75/83/287747583.db2.gz GHKRYAJYEPGKPX-UONOGXRCSA-N 2 0 300.447 0.689 10 0 DCAERP CC(=O)NCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182560240 278100096 /nfs/dbraw/zinc/10/00/96/278100096.db2.gz WAQIYUIJNBPTRZ-SJPCQFCGSA-N 2 0 308.470 0.755 10 0 DCAERP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333121571 279358285 /nfs/dbraw/zinc/35/82/85/279358285.db2.gz ANTRMYPZXHSQHB-GJZGRUSLSA-N 2 0 311.474 0.263 10 0 DCAERP C[C@@]1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCCC[NH2+]1 ZINC000333564390 289139368 /nfs/dbraw/zinc/13/93/68/289139368.db2.gz LSJBXPZFNXFMCL-DQPZFDDXSA-N 2 0 308.470 0.851 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000247141370 289198666 /nfs/dbraw/zinc/19/86/66/289198666.db2.gz SYWWGRFFXBAWEE-RBSFLKMASA-N 2 0 312.458 0.831 10 0 DCAERP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237911117 295234371 /nfs/dbraw/zinc/23/43/71/295234371.db2.gz GEDFNSMLZBSPGU-XGUBFFRZSA-N 2 0 322.453 0.221 10 0 DCAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000238007447 303483810 /nfs/dbraw/zinc/48/38/10/303483810.db2.gz OUOBTXJZMVQBLZ-CABCVRRESA-N 2 0 322.453 0.271 10 0 DCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186956181 528290117 /nfs/dbraw/zinc/29/01/17/528290117.db2.gz IJRQCVNROZRRNO-HNNXBMFYSA-N 2 0 314.474 0.984 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333795003 546092767 /nfs/dbraw/zinc/09/27/67/546092767.db2.gz GVCWCZHDSZWZDI-HOTGVXAUSA-N 2 0 323.485 0.407 10 0 DCAERP C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000725272102 548750203 /nfs/dbraw/zinc/75/02/03/548750203.db2.gz MLHKMAOZCUZOON-ZYHUDNBSSA-N 2 0 311.455 0.614 10 0 DCAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C ZINC000888097299 661176319 /nfs/dbraw/zinc/17/63/19/661176319.db2.gz HCWGWTZUZRMNHI-FPCVCCKLSA-N 2 0 307.442 0.775 10 0 DCAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3nc4ccccn4c3=O)C[C@H]21 ZINC000262353688 657741120 /nfs/dbraw/zinc/74/11/20/657741120.db2.gz VPKPGFUQOPZBAZ-BFHYXJOUSA-N 2 0 301.394 0.555 10 0 DCAERP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245628 685066012 /nfs/dbraw/zinc/06/60/12/685066012.db2.gz ZBMWXSBUSXSCQE-CABCVRRESA-N 2 0 311.474 0.343 10 0 DCAERP C[NH+]1CCN(CCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000385803792 685247425 /nfs/dbraw/zinc/24/74/25/685247425.db2.gz KZNPRCANAZARRV-UHFFFAOYSA-N 2 0 316.247 0.899 10 0 DCAERP O=S(=O)(N[C@H]1CCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000405149845 774151767 /nfs/dbraw/zinc/15/17/67/774151767.db2.gz AEUXYDHGDRRCJY-AWEZNQCLSA-N 2 0 309.435 0.542 10 0 DCAERP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424815 191159556 /nfs/dbraw/zinc/15/95/56/191159556.db2.gz ISKRRNZOCAMKAH-CQSZACIVSA-N 2 0 305.426 0.463 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171908290 285022132 /nfs/dbraw/zinc/02/21/32/285022132.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 2 0 310.442 0.587 10 0 DCAERP CN1[C@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000248037410 257111067 /nfs/dbraw/zinc/11/10/67/257111067.db2.gz UXYKIPCDHQJOIJ-CWRNSKLLSA-N 2 0 320.437 0.462 10 0 DCAERP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC(=O)N3CC[NH+](C)C)cn1 ZINC000248026357 257111731 /nfs/dbraw/zinc/11/17/31/257111731.db2.gz SKELPEWNWVNPKB-LSDHHAIUSA-N 2 0 305.426 0.547 10 0 DCAERP Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000119896573 132137664 /nfs/dbraw/zinc/13/76/64/132137664.db2.gz ZWLOLUHAPIMQBL-UONOGXRCSA-N 2 0 306.410 0.532 10 0 DCAERP C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000108466607 395789819 /nfs/dbraw/zinc/78/98/19/395789819.db2.gz SYXGBRZPPOHVSK-CQSZACIVSA-N 2 0 310.442 0.444 10 0 DCAERP [NH3+]C1(C(=O)N2CCN(Cc3ccsc3)CC2)CCOCC1 ZINC000132162306 395926908 /nfs/dbraw/zinc/92/69/08/395926908.db2.gz SFQIFHSVBBEZRC-UHFFFAOYSA-N 2 0 309.435 0.900 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248614416 395991216 /nfs/dbraw/zinc/99/12/16/395991216.db2.gz LPFUMDZXSRFRER-ZNMIVQPWSA-N 2 0 314.474 0.813 10 0 DCAERP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000261802905 396067833 /nfs/dbraw/zinc/06/78/33/396067833.db2.gz LGLBKFZVSNTSAD-JKSUJKDBSA-N 2 0 309.454 0.947 10 0 DCAERP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261984682 396087798 /nfs/dbraw/zinc/08/77/98/396087798.db2.gz CHWXCCVAQSSUQA-YOEHRIQHSA-N 2 0 311.470 0.975 10 0 DCAERP C[C@@H]1C[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000262142324 396103525 /nfs/dbraw/zinc/10/35/25/396103525.db2.gz HFQYCNLUZBALRZ-CABCVRRESA-N 2 0 319.453 0.903 10 0 DCAERP CN1CC[NH+](CCCCNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071699795 396114101 /nfs/dbraw/zinc/11/41/01/396114101.db2.gz HDRGQLBXYVBSMT-UHFFFAOYSA-N 2 0 304.438 0.903 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262647224 396167801 /nfs/dbraw/zinc/16/78/01/396167801.db2.gz ORNBIUCLADJHBJ-NCOADZHNSA-N 2 0 322.497 0.907 10 0 DCAERP C[C@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262940085 396193188 /nfs/dbraw/zinc/19/31/88/396193188.db2.gz UJXGEZBAZLNGAG-ZFWWWQNUSA-N 2 0 317.437 0.704 10 0 DCAERP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263171330 396204440 /nfs/dbraw/zinc/20/44/40/396204440.db2.gz FTRYYWDCZHPXOZ-CABCVRRESA-N 2 0 322.405 0.525 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000584686158 396614947 /nfs/dbraw/zinc/61/49/47/396614947.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 2 0 320.437 0.034 10 0 DCAERP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262084082 158771618 /nfs/dbraw/zinc/77/16/18/158771618.db2.gz CNUPVYUWFNMWQX-XHSDSOJGSA-N 2 0 317.437 0.418 10 0 DCAERP COC[C@@](C)(CCO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192755654 287059657 /nfs/dbraw/zinc/05/96/57/287059657.db2.gz PEKOITBYONNDEH-MRXNPFEDSA-N 2 0 301.475 0.780 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012711 287075340 /nfs/dbraw/zinc/07/53/40/287075340.db2.gz KUKFNBAMSJKHMN-HUUCEWRRSA-N 2 0 312.458 0.689 10 0 DCAERP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246514994 287084881 /nfs/dbraw/zinc/08/48/81/287084881.db2.gz BNVQPJAINAZLDJ-FVQBIDKESA-N 2 0 324.469 0.528 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCO[C@@H](C)C2)CC1 ZINC000248948855 287103772 /nfs/dbraw/zinc/10/37/72/287103772.db2.gz CUEXXEKXHJBHSK-HOTGVXAUSA-N 2 0 313.486 0.732 10 0 DCAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505447 416060065 /nfs/dbraw/zinc/06/00/65/416060065.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 2 0 323.485 0.360 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000174623811 416080632 /nfs/dbraw/zinc/08/06/32/416080632.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 2 0 300.447 0.689 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178886826 416175857 /nfs/dbraw/zinc/17/58/57/416175857.db2.gz IYDCKRGBRFWLRD-UHFFFAOYSA-N 2 0 307.442 0.809 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178886690 416176219 /nfs/dbraw/zinc/17/62/19/416176219.db2.gz QDHBSAANZQXHHN-GJZGRUSLSA-N 2 0 319.453 0.809 10 0 DCAERP Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839159 416201543 /nfs/dbraw/zinc/20/15/43/416201543.db2.gz NLGWVWRQJDYNCW-OAHLLOKOSA-N 2 0 319.453 0.449 10 0 DCAERP C[C@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000535265170 416519637 /nfs/dbraw/zinc/51/96/37/416519637.db2.gz WKTAFHNFKHGGON-GXTWGEPZSA-N 2 0 303.410 0.840 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638837542 417565940 /nfs/dbraw/zinc/56/59/40/417565940.db2.gz ZPDROMBBANKNPG-IMJJTQAJSA-N 2 0 305.422 0.844 10 0 DCAERP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649268405 418217532 /nfs/dbraw/zinc/21/75/32/418217532.db2.gz BGUVQZRVUYFZTR-QGZVFWFLSA-N 2 0 317.433 0.957 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000358660299 271064973 /nfs/dbraw/zinc/06/49/73/271064973.db2.gz GDXYWCVFOYBCSM-MRXNPFEDSA-N 2 0 324.469 0.784 10 0 DCAERP CC1(C)C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH3+] ZINC000261732402 276133414 /nfs/dbraw/zinc/13/34/14/276133414.db2.gz LIHVJPPEFWTDKR-CHWSQXEVSA-N 2 0 303.472 0.717 10 0 DCAERP CN1CC[NH2+]C[C@@H]1[C@@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584651626 337381007 /nfs/dbraw/zinc/38/10/07/337381007.db2.gz JNUFTHDWRCDGDE-DLBZAZTESA-N 2 0 306.429 0.718 10 0 DCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795511 546023383 /nfs/dbraw/zinc/02/33/83/546023383.db2.gz IODOPZGHOKMNRH-ZDUSSCGKSA-N 2 0 316.409 0.487 10 0 DCAERP O=C(CC[N@@H+]1CCS[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000721485390 657945288 /nfs/dbraw/zinc/94/52/88/657945288.db2.gz JPGJWTWDIGCSIJ-JTQLQIEISA-N 2 0 311.373 0.788 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702390982 666947582 /nfs/dbraw/zinc/94/75/82/666947582.db2.gz KNVPDXUMXYORAA-HYVNUMGLSA-N 2 0 318.465 0.902 10 0 DCAERP O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000390702324 685260689 /nfs/dbraw/zinc/26/06/89/685260689.db2.gz DMNDKDXKTLCZKQ-JKSUJKDBSA-N 2 0 323.462 0.932 10 0 DCAERP CC[NH+]1CCN(CCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699820 1173831708 /nfs/dbraw/zinc/83/17/08/1173831708.db2.gz VBTQRPHMOYOZBU-UHFFFAOYSA-N 2 0 304.438 0.903 10 0 DCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117032133 295903950 /nfs/dbraw/zinc/90/39/50/295903950.db2.gz HLEZSQBVHPXRAQ-GJZGRUSLSA-N 2 0 312.458 0.833 10 0 DCAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024519 395964558 /nfs/dbraw/zinc/96/45/58/395964558.db2.gz MCBSGBMMQZHRQM-HUUCEWRRSA-N 2 0 306.410 0.951 10 0 DCAERP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@@H](C)O1 ZINC000261660674 396053142 /nfs/dbraw/zinc/05/31/42/396053142.db2.gz FSDVAUCYQNSXNN-NFAWXSAZSA-N 2 0 313.442 0.356 10 0 DCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241843 396114763 /nfs/dbraw/zinc/11/47/63/396114763.db2.gz KYQNNIUVPABEDH-OAGGEKHMSA-N 2 0 319.453 0.714 10 0 DCAERP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000262271068 396116497 /nfs/dbraw/zinc/11/64/97/396116497.db2.gz NAOCALQXINXXMN-UONOGXRCSA-N 2 0 313.442 0.046 10 0 DCAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261948832 396082405 /nfs/dbraw/zinc/08/24/05/396082405.db2.gz NWUPNTLXDRMUCZ-KSZLIROESA-N 3 0 324.513 0.759 10 0 DCAERP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178319347 396194172 /nfs/dbraw/zinc/19/41/72/396194172.db2.gz ZTNDHAGXNONARG-CYBMUJFWSA-N 2 0 307.398 0.892 10 0 DCAERP COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263171332 396204496 /nfs/dbraw/zinc/20/44/96/396204496.db2.gz FTRYYWDCZHPXOZ-GJZGRUSLSA-N 2 0 322.405 0.525 10 0 DCAERP O=C1NCC[C@@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179067535 396220778 /nfs/dbraw/zinc/22/07/78/396220778.db2.gz QWNHBUMBWDZQJC-DLBZAZTESA-N 2 0 317.433 0.910 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000584686160 396614608 /nfs/dbraw/zinc/61/46/08/396614608.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 2 0 320.437 0.034 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000572202522 397033473 /nfs/dbraw/zinc/03/34/73/397033473.db2.gz BDULJLJHBLGCQS-UHFFFAOYSA-N 2 0 313.490 0.606 10 0 DCAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452224 158187536 /nfs/dbraw/zinc/18/75/36/158187536.db2.gz GHCIERDEEQAPGJ-INIZCTEOSA-N 2 0 308.470 0.711 10 0 DCAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000368212062 159381822 /nfs/dbraw/zinc/38/18/22/159381822.db2.gz LAFFLIBFYBRLBC-MRXNPFEDSA-N 2 0 309.454 0.899 10 0 DCAERP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134905602 287018988 /nfs/dbraw/zinc/01/89/88/287018988.db2.gz GZGKTXXEEMSEAH-UKRRQHHQSA-N 2 0 315.483 0.874 10 0 DCAERP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333758272 415730050 /nfs/dbraw/zinc/73/00/50/415730050.db2.gz ADJIWQMRNICSHZ-CABCVRRESA-N 2 0 311.474 0.454 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111836844 415698155 /nfs/dbraw/zinc/69/81/55/415698155.db2.gz ZNVUOPLSUXUDKZ-OAHLLOKOSA-N 2 0 312.458 0.474 10 0 DCAERP C[C@H]1C[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123854506 415846012 /nfs/dbraw/zinc/84/60/12/415846012.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 0 310.442 0.140 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000175760921 416112423 /nfs/dbraw/zinc/11/24/23/416112423.db2.gz IMCBFYXQXOANOS-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000263108274 416337526 /nfs/dbraw/zinc/33/75/26/416337526.db2.gz DFMQYIDNYFJNBF-GUTXKFCHSA-N 2 0 312.458 0.465 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000246744488 297274962 /nfs/dbraw/zinc/27/49/62/297274962.db2.gz YUBOIWUINXYGHO-NFAWXSAZSA-N 2 0 310.442 0.584 10 0 DCAERP C[C@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]cc2C(N)=O)CC1 ZINC000302011789 534077641 /nfs/dbraw/zinc/07/76/41/534077641.db2.gz CRPPUNVNHLORFQ-LBPRGKRZSA-N 2 0 306.410 0.710 10 0 DCAERP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949046 685258138 /nfs/dbraw/zinc/25/81/38/685258138.db2.gz RQDAAJHXHVBQEC-CWRNSKLLSA-N 2 0 305.422 0.987 10 0 DCAERP Cn1ncc(C[NH3+])c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000719301514 685309426 /nfs/dbraw/zinc/30/94/26/685309426.db2.gz HLNKQZKXZUVSNP-UHFFFAOYSA-N 2 0 301.394 0.741 10 0 DCAERP COC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720821980 685315859 /nfs/dbraw/zinc/31/58/59/685315859.db2.gz HLMDTVUEDWTYQQ-LZLYRXPVSA-N 2 0 317.433 0.941 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236840056 202034435 /nfs/dbraw/zinc/03/44/35/202034435.db2.gz OCDLFWPOBRCCSZ-CABCVRRESA-N 2 0 324.469 0.517 10 0 DCAERP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000333749247 252759234 /nfs/dbraw/zinc/75/92/34/252759234.db2.gz YTLFNIDGBKYYEC-VNQPRFMTSA-N 2 0 318.421 0.883 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000261633998 396051091 /nfs/dbraw/zinc/05/10/91/396051091.db2.gz CJECHFZIPCIBFR-KRWDZBQOSA-N 2 0 317.433 0.882 10 0 DCAERP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@@H](C)O1 ZINC000261660675 396053297 /nfs/dbraw/zinc/05/32/97/396053297.db2.gz FSDVAUCYQNSXNN-UMVBOHGHSA-N 2 0 313.442 0.356 10 0 DCAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261778370 396064992 /nfs/dbraw/zinc/06/49/92/396064992.db2.gz MULOIMCPTKNRBZ-KBPBESRZSA-N 2 0 301.431 0.213 10 0 DCAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261802896 396068116 /nfs/dbraw/zinc/06/81/16/396068116.db2.gz LGLBKFZVSNTSAD-CVEARBPZSA-N 2 0 309.454 0.947 10 0 DCAERP COc1cccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+](C)C)c1 ZINC000261827520 396070545 /nfs/dbraw/zinc/07/05/45/396070545.db2.gz XFFGMQHUHONRFU-OAHLLOKOSA-N 2 0 321.421 0.922 10 0 DCAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261982929 396086921 /nfs/dbraw/zinc/08/69/21/396086921.db2.gz RSZWHRNYWAJCJF-TWMKSMIVSA-N 2 0 311.470 0.844 10 0 DCAERP CCN(CC)C(=O)C[N@@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262089374 396098091 /nfs/dbraw/zinc/09/80/91/396098091.db2.gz URRWLRNKOCYFFV-KRWDZBQOSA-N 2 0 310.486 0.862 10 0 DCAERP COCC[NH2+]CC(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000261944735 396082806 /nfs/dbraw/zinc/08/28/06/396082806.db2.gz KYPQSTPLFFBCNF-AWEZNQCLSA-N 2 0 307.394 0.404 10 0 DCAERP Cc1cccc(N2CC[NH+](CCCNC(=O)C3C[NH2+]C3)CC2)c1 ZINC000263246412 396208308 /nfs/dbraw/zinc/20/83/08/396208308.db2.gz DDGYHLLPDYAZTH-UHFFFAOYSA-N 2 0 316.449 0.843 10 0 DCAERP C[C@H](CNC(=O)[C@H]1CCCn2ccnc21)C[NH+]1CCN(C)CC1 ZINC000176299003 396153656 /nfs/dbraw/zinc/15/36/56/396153656.db2.gz CWKJCDGZIONOBB-CABCVRRESA-N 2 0 319.453 0.760 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262638840 396165852 /nfs/dbraw/zinc/16/58/52/396165852.db2.gz JKMKDIBSBLKSGD-JKSUJKDBSA-N 2 0 305.422 0.783 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179286175 396225246 /nfs/dbraw/zinc/22/52/46/396225246.db2.gz ODYFGJBINNSRFF-HNNXBMFYSA-N 2 0 311.474 0.358 10 0 DCAERP c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522603 396775297 /nfs/dbraw/zinc/77/52/97/396775297.db2.gz DNZANONNUGYFOR-STQMWFEESA-N 2 0 301.398 0.435 10 0 DCAERP c1c(C[NH2+]CCCC[NH+]2CCOCC2)nnn1C[C@@H]1CCOC1 ZINC000631042982 397159707 /nfs/dbraw/zinc/15/97/07/397159707.db2.gz PAJMTHIKMDIUFR-HNNXBMFYSA-N 2 0 323.441 0.517 10 0 DCAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCCCO)CC2)C1 ZINC000105915157 158132477 /nfs/dbraw/zinc/13/24/77/158132477.db2.gz CWRVKNBZVAGSOV-QGZVFWFLSA-N 2 0 313.486 0.876 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000124518560 158243858 /nfs/dbraw/zinc/24/38/58/158243858.db2.gz ZLTKJCDDDNCLBG-MRXNPFEDSA-N 2 0 314.474 0.720 10 0 DCAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000164731781 416019422 /nfs/dbraw/zinc/01/94/22/416019422.db2.gz MCHNWPQKLYXNCV-HOTGVXAUSA-N 2 0 303.406 0.621 10 0 DCAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176003465 416119176 /nfs/dbraw/zinc/11/91/76/416119176.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 2 0 310.486 0.955 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1 ZINC000458665615 416487395 /nfs/dbraw/zinc/48/73/95/416487395.db2.gz QVDNPDAUCXHVRO-INIZCTEOSA-N 2 0 324.469 0.784 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000543685293 416643746 /nfs/dbraw/zinc/64/37/46/416643746.db2.gz ZVUPPZBYJJQXLW-UHFFFAOYSA-N 2 0 313.490 0.607 10 0 DCAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643774155 417347646 /nfs/dbraw/zinc/34/76/46/417347646.db2.gz NNOAZCKTEBNXTQ-INIZCTEOSA-N 2 0 305.422 0.813 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649332189 418240732 /nfs/dbraw/zinc/24/07/32/418240732.db2.gz DQJBONLDFPRLPJ-GDBMZVCRSA-N 2 0 305.422 0.859 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488720230 272048255 /nfs/dbraw/zinc/04/82/55/272048255.db2.gz PHLBBTNYUSHDHL-SYMSYNOKSA-N 2 0 300.443 0.408 10 0 DCAERP CC1(C)C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH3+] ZINC000261732410 276132930 /nfs/dbraw/zinc/13/29/30/276132930.db2.gz LIHVJPPEFWTDKR-STQMWFEESA-N 2 0 303.472 0.717 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)CCOC ZINC000177486954 279325707 /nfs/dbraw/zinc/32/57/07/279325707.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 2 0 300.447 0.690 10 0 DCAERP [NH3+]Cc1nnn(C2CC[NH2+]CC2)c1I ZINC000675051878 547657927 /nfs/dbraw/zinc/65/79/27/547657927.db2.gz VYZNJJXFTODBAV-UHFFFAOYSA-N 2 0 307.139 0.266 10 0 DCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430609 666956556 /nfs/dbraw/zinc/95/65/56/666956556.db2.gz NQUGRPBFNKGDNZ-SJORKVTESA-N 2 0 318.465 0.856 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748771 685185787 /nfs/dbraw/zinc/18/57/87/685185787.db2.gz LFLCKFOIRIGAGY-OCCSQVGLSA-N 2 0 301.456 0.484 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000116789235 282138819 /nfs/dbraw/zinc/13/88/19/282138819.db2.gz NMESUXGALDSEJF-IRXDYDNUSA-N 2 0 319.449 0.948 10 0 DCAERP CCC[NH2+]CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000236851907 202037773 /nfs/dbraw/zinc/03/77/73/202037773.db2.gz KCSVPEFTCOKUEK-UHFFFAOYSA-N 2 0 305.426 0.563 10 0 DCAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000180753387 237259785 /nfs/dbraw/zinc/25/97/85/237259785.db2.gz BOQFNTAISXRBHF-UONOGXRCSA-N 2 0 324.469 0.710 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000180478031 296181924 /nfs/dbraw/zinc/18/19/24/296181924.db2.gz ABNNCBCQWVOVFP-JKSUJKDBSA-N 2 0 313.486 0.732 10 0 DCAERP Cn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333589170 252740978 /nfs/dbraw/zinc/74/09/78/252740978.db2.gz OVKRXJHNEKDGCE-CHWSQXEVSA-N 2 0 305.426 0.663 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033900 395850123 /nfs/dbraw/zinc/85/01/23/395850123.db2.gz XAXUAUGEYIDPPU-ZFWWWQNUSA-N 2 0 310.442 0.443 10 0 DCAERP OCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2CCO)CC1 ZINC000257188636 396034866 /nfs/dbraw/zinc/03/48/66/396034866.db2.gz FYEPDYDRVRMXDZ-OAHLLOKOSA-N 2 0 308.426 0.327 10 0 DCAERP COCC[N@@H+]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000261841788 396072053 /nfs/dbraw/zinc/07/20/53/396072053.db2.gz CPIVFUUVWTZYNX-INIZCTEOSA-N 2 0 305.422 0.910 10 0 DCAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261982932 396086655 /nfs/dbraw/zinc/08/66/55/396086655.db2.gz RSZWHRNYWAJCJF-YYIAUSFCSA-N 2 0 311.470 0.844 10 0 DCAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000262041097 396093239 /nfs/dbraw/zinc/09/32/39/396093239.db2.gz YNFMXFRSNCVQEO-VQHPVUNQSA-N 2 0 310.486 0.369 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170828687 396098884 /nfs/dbraw/zinc/09/88/84/396098884.db2.gz UQTFCLZKZBOZCB-HNNXBMFYSA-N 2 0 311.474 0.358 10 0 DCAERP CC[NH+]1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000262135727 396102902 /nfs/dbraw/zinc/10/29/02/396102902.db2.gz DLFYVXMHZHRTGF-DLBZAZTESA-N 2 0 316.449 0.577 10 0 DCAERP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262392324 396133975 /nfs/dbraw/zinc/13/39/75/396133975.db2.gz OJGHZHHERGFZEJ-OAGGEKHMSA-N 2 0 321.396 0.766 10 0 DCAERP CC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263200585 396206228 /nfs/dbraw/zinc/20/62/28/396206228.db2.gz IYKGHKPFNBXOJY-FUHWJXTLSA-N 2 0 318.465 0.498 10 0 DCAERP c1nnc2ccc(N3CC[C@H]([NH2+]CC4CC[NH2+]CC4)C3)nn12 ZINC000629653009 396814707 /nfs/dbraw/zinc/81/47/07/396814707.db2.gz DOQUYQMJZVRVNA-ZDUSSCGKSA-N 2 0 301.398 0.292 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107283072 158134815 /nfs/dbraw/zinc/13/48/15/158134815.db2.gz UIPDXOFVIRTFLV-MRXNPFEDSA-N 2 0 310.486 0.957 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NCC[NH+]3CCCC3)ccn2)CC1 ZINC000171856000 158387782 /nfs/dbraw/zinc/38/77/82/158387782.db2.gz LZUGPFIZUBHLPN-UHFFFAOYSA-N 2 0 317.437 0.659 10 0 DCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCN1C1CC[NH+](C)CC1 ZINC000329079033 159058791 /nfs/dbraw/zinc/05/87/91/159058791.db2.gz BVKLZZBKUHSTQJ-OCCSQVGLSA-N 2 0 308.426 0.732 10 0 DCAERP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000408381477 160095732 /nfs/dbraw/zinc/09/57/32/160095732.db2.gz KYNXIONLQRBIIU-YWVIFJGQSA-N 2 0 309.454 0.963 10 0 DCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000245469769 287069854 /nfs/dbraw/zinc/06/98/54/287069854.db2.gz VPIHVTVWVYKHIO-GJZGRUSLSA-N 2 0 324.469 0.387 10 0 DCAERP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105282319 415629146 /nfs/dbraw/zinc/62/91/46/415629146.db2.gz HXPXFFFVYRECIW-CQSZACIVSA-N 2 0 300.447 0.546 10 0 DCAERP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333611594 415694387 /nfs/dbraw/zinc/69/43/87/415694387.db2.gz SAOXBHBFOIRUNZ-AWEZNQCLSA-N 2 0 312.458 0.881 10 0 DCAERP Cc1cc(N2CC[C@H](N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318508 /nfs/dbraw/zinc/31/85/08/416318508.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 0 303.410 0.327 10 0 DCAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000237900289 416329169 /nfs/dbraw/zinc/32/91/69/416329169.db2.gz HRMYWUPUZOBLAR-HOTGVXAUSA-N 2 0 303.406 0.756 10 0 DCAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559780741 416825031 /nfs/dbraw/zinc/82/50/31/416825031.db2.gz IFKXAQGFFYFFFX-CQSZACIVSA-N 2 0 312.458 0.387 10 0 DCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788143 417361903 /nfs/dbraw/zinc/36/19/03/417361903.db2.gz QTQQCEORFYRTOG-GDBMZVCRSA-N 2 0 305.422 0.859 10 0 DCAERP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248650702 279105654 /nfs/dbraw/zinc/10/56/54/279105654.db2.gz UTHNMNCVMJSPJW-KGLIPLIRSA-N 2 0 300.447 0.425 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000117046379 289215505 /nfs/dbraw/zinc/21/55/05/289215505.db2.gz KVANUWLZZMLTTP-HNNXBMFYSA-N 2 0 312.458 0.833 10 0 DCAERP C[C@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000702381030 666946814 /nfs/dbraw/zinc/94/68/14/666946814.db2.gz AIELTTKQGGLOHD-ZBFHGGJFSA-N 2 0 306.454 0.902 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702407851 666954855 /nfs/dbraw/zinc/95/48/55/666954855.db2.gz GHDORISBHXJTNA-CVEARBPZSA-N 2 0 304.438 0.514 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000705322843 667304382 /nfs/dbraw/zinc/30/43/82/667304382.db2.gz APGIHGBCIXHFHI-HOTGVXAUSA-N 2 0 304.438 0.656 10 0 DCAERP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719293299 685309492 /nfs/dbraw/zinc/30/94/92/685309492.db2.gz IULQDQSQYZPTIZ-OAHLLOKOSA-N 2 0 313.405 0.883 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000262390265 291038912 /nfs/dbraw/zinc/03/89/12/291038912.db2.gz PHAOXKBBIRDCAO-KKUMJFAQSA-N 2 0 322.453 0.140 10 0 DCAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC(N)=O ZINC000179388334 199026962 /nfs/dbraw/zinc/02/69/62/199026962.db2.gz LANUCNKSYVJJKI-UHFFFAOYSA-N 2 0 319.409 0.815 10 0 DCAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000333121572 285320917 /nfs/dbraw/zinc/32/09/17/285320917.db2.gz ANTRMYPZXHSQHB-HUUCEWRRSA-N 2 0 311.474 0.263 10 0 DCAERP c1cc2c(c(CCN3CC[NH2+]CCNCC[NH2+]CC3)c1)NCC2 ZINC000089210572 395708735 /nfs/dbraw/zinc/70/87/35/395708735.db2.gz USQKBEZGGXDBJF-UHFFFAOYSA-N 2 0 317.481 0.282 10 0 DCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237510753 395914097 /nfs/dbraw/zinc/91/40/97/395914097.db2.gz QGHCAHPJEZRUAV-ZDUSSCGKSA-N 2 0 320.441 0.807 10 0 DCAERP CCOC(=O)c1nn(C)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000186310691 396347594 /nfs/dbraw/zinc/34/75/94/396347594.db2.gz AODCXUGJIQCKLZ-UHFFFAOYSA-N 2 0 324.425 0.799 10 0 DCAERP CO[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530411124 396577150 /nfs/dbraw/zinc/57/71/50/396577150.db2.gz GHKRYAJYEPGKPX-ZIAGYGMSSA-N 2 0 300.447 0.689 10 0 DCAERP c1nc(N2CCOCC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000634813008 396921531 /nfs/dbraw/zinc/92/15/31/396921531.db2.gz WWCSIRMKWARNNL-KGLIPLIRSA-N 2 0 303.410 0.892 10 0 DCAERP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246515013 287084827 /nfs/dbraw/zinc/08/48/27/287084827.db2.gz BNVQPJAINAZLDJ-NUEKZKHPSA-N 2 0 324.469 0.528 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090665 /nfs/dbraw/zinc/09/06/65/287090665.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 0 324.469 0.339 10 0 DCAERP COC[C@@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000249969668 287118682 /nfs/dbraw/zinc/11/86/82/287118682.db2.gz XLYVADKZJPVUBC-IRXDYDNUSA-N 2 0 313.486 0.996 10 0 DCAERP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085819932 415504526 /nfs/dbraw/zinc/50/45/26/415504526.db2.gz DDXHYSFYZHUJEK-CABCVRRESA-N 2 0 317.499 0.932 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105281629 415630719 /nfs/dbraw/zinc/63/07/19/415630719.db2.gz IUQMKAWSOPPUTA-MRXNPFEDSA-N 2 0 324.469 0.834 10 0 DCAERP C[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333385792 415631173 /nfs/dbraw/zinc/63/11/73/415631173.db2.gz ODPFOIFFCXKLHT-AWEZNQCLSA-N 2 0 310.442 0.635 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333417903 415645524 /nfs/dbraw/zinc/64/55/24/415645524.db2.gz SCXQKDPQFKAZHC-VNQPRFMTSA-N 2 0 324.469 0.758 10 0 DCAERP C[C@@H]1CCC[C@](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)([NH+](C)C)C1 ZINC000333793903 415740143 /nfs/dbraw/zinc/74/01/43/415740143.db2.gz MWDJQJYAFKYCQH-HOSILWTGSA-N 2 0 312.458 0.471 10 0 DCAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816630 415746609 /nfs/dbraw/zinc/74/66/09/415746609.db2.gz QKOVQKRQHVUHLA-UGUYLWEFSA-N 2 0 318.421 0.406 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000171896211 416042515 /nfs/dbraw/zinc/04/25/15/416042515.db2.gz VDZJQWQMQZPXQS-HNNXBMFYSA-N 2 0 312.458 0.882 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000173891355 416068099 /nfs/dbraw/zinc/06/80/99/416068099.db2.gz YRNYREFRUBERQN-HNNXBMFYSA-N 2 0 312.458 0.882 10 0 DCAERP CN(C(=O)CN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179057821 416181234 /nfs/dbraw/zinc/18/12/34/416181234.db2.gz KWFFEDLBGXZKDP-QGZVFWFLSA-N 2 0 316.449 0.625 10 0 DCAERP CC[NH+]1CCC([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527943346 417288261 /nfs/dbraw/zinc/28/82/61/417288261.db2.gz BKQIOGYGGMNRRZ-QGZVFWFLSA-N 2 0 311.470 0.676 10 0 DCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649279144 418219188 /nfs/dbraw/zinc/21/91/88/418219188.db2.gz ZGCIMZGVIYOIJD-CVEARBPZSA-N 2 0 303.406 0.613 10 0 DCAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193475429 261142314 /nfs/dbraw/zinc/14/23/14/261142314.db2.gz XDWBAVKJWHFXOH-GOEBONIOSA-N 2 0 324.469 0.617 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@@H](CO)[C@@H]2C)COC1 ZINC000488742613 272050059 /nfs/dbraw/zinc/05/00/59/272050059.db2.gz FUFNFCNJIJRJDG-FZKCQIBNSA-N 2 0 312.454 0.408 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690909 276225557 /nfs/dbraw/zinc/22/55/57/276225557.db2.gz BKKDFDBCEIPETG-JSGCOSHPSA-N 2 0 308.426 0.246 10 0 DCAERP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185188821 279105836 /nfs/dbraw/zinc/10/58/36/279105836.db2.gz UTHNMNCVMJSPJW-UONOGXRCSA-N 2 0 300.447 0.425 10 0 DCAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000261675231 295232521 /nfs/dbraw/zinc/23/25/21/295232521.db2.gz GXWOXQRPOLWJAR-INIZCTEOSA-N 2 0 305.422 0.785 10 0 DCAERP COC[C@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)C[NH2+]CCO1 ZINC000710821796 667446256 /nfs/dbraw/zinc/44/62/56/667446256.db2.gz GROIOIYLOYMKTP-KRWDZBQOSA-N 2 0 321.421 0.240 10 0 DCAERP O=C1CC[NH+](CCCCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000105570199 296322848 /nfs/dbraw/zinc/32/28/48/296322848.db2.gz RKWBKMICWIISAF-UHFFFAOYSA-N 2 0 310.442 0.191 10 0 DCAERP NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103286448 395773164 /nfs/dbraw/zinc/77/31/64/395773164.db2.gz LYPXDRMPEWXHFC-OAHLLOKOSA-N 2 0 322.453 0.459 10 0 DCAERP C[NH+]1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194696869 395804903 /nfs/dbraw/zinc/80/49/03/395804903.db2.gz DUVMZDQNNDMIMT-GJZGRUSLSA-N 2 0 324.469 0.578 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113604652 395831404 /nfs/dbraw/zinc/83/14/04/395831404.db2.gz MIWPVTGDVOXECP-GDBMZVCRSA-N 2 0 324.469 0.975 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247366834 395972270 /nfs/dbraw/zinc/97/22/70/395972270.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 2 0 314.474 0.983 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262240176 396114339 /nfs/dbraw/zinc/11/43/39/396114339.db2.gz KUYCNBSRBWXTEG-BBWFWOEESA-N 2 0 317.433 0.738 10 0 DCAERP C[NH+](C)Cc1cc(CNC(=O)C[C@H]2COCC[NH2+]2)ccc1F ZINC000262437440 396139907 /nfs/dbraw/zinc/13/99/07/396139907.db2.gz UNDYPDWLFIRCLW-AWEZNQCLSA-N 2 0 309.385 0.882 10 0 DCAERP CC(C)[N@@H+]1CCc2nc(CNC[C@@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263195624 396205236 /nfs/dbraw/zinc/20/52/36/396205236.db2.gz IJACRUYAJJJHFV-AAEUAGOBSA-N 2 0 310.467 0.580 10 0 DCAERP CC(C)OCCN1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262737710 396177396 /nfs/dbraw/zinc/17/73/96/396177396.db2.gz CHDAEWHHUYMWMH-GFCCVEGCSA-N 2 0 305.369 0.553 10 0 DCAERP C[C@H]1[NH2+]CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000262789596 396182436 /nfs/dbraw/zinc/18/24/36/396182436.db2.gz MYAYKJJUNGIKQD-KGLIPLIRSA-N 2 0 317.437 0.656 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000186360342 396348781 /nfs/dbraw/zinc/34/87/81/396348781.db2.gz SHPDTQWELXWOHH-HUUCEWRRSA-N 2 0 314.474 0.815 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479603 396419723 /nfs/dbraw/zinc/41/97/23/396419723.db2.gz MWXAROWNONMJJS-HZPDHXFCSA-N 2 0 310.486 0.988 10 0 DCAERP CN(C(=O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000109753470 158138273 /nfs/dbraw/zinc/13/82/73/158138273.db2.gz FIERNPGUNAUPBE-MRXNPFEDSA-N 2 0 308.470 0.709 10 0 DCAERP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000166561367 158366784 /nfs/dbraw/zinc/36/67/84/158366784.db2.gz XUBCOPFIXWWESR-HOTGVXAUSA-N 2 0 308.470 0.789 10 0 DCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907912 158388204 /nfs/dbraw/zinc/38/82/04/158388204.db2.gz ZAIUQPGQNXJTGP-LSDHHAIUSA-N 2 0 309.458 0.112 10 0 DCAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261843225 158745197 /nfs/dbraw/zinc/74/51/97/158745197.db2.gz PKDZPPLLFJWESQ-UONOGXRCSA-N 2 0 317.437 0.643 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000179855103 287085428 /nfs/dbraw/zinc/08/54/28/287085428.db2.gz LUFBZMZZOMLUOR-IUODEOHRSA-N 2 0 301.406 0.239 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C(C)C ZINC000111849904 415698361 /nfs/dbraw/zinc/69/83/61/415698361.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 2 0 300.447 0.737 10 0 DCAERP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)[NH+](C)C ZINC000164436600 416017848 /nfs/dbraw/zinc/01/78/48/416017848.db2.gz GLFQSSBQZQHRDR-CHWSQXEVSA-N 2 0 320.441 0.944 10 0 DCAERP CN1CCC(CNC(=O)[C@H]2COCCN2)([NH+]2CCCCC2)CC1 ZINC000178891056 416176742 /nfs/dbraw/zinc/17/67/42/416176742.db2.gz WITWOSXRXGVINV-OAHLLOKOSA-N 3 0 324.469 0.041 10 0 DCAERP CN1CCN(C(=O)CN2CCC(Nc3cccnn3)CC2)CC1 ZINC000180476150 416198385 /nfs/dbraw/zinc/19/83/85/416198385.db2.gz KBHNZXFKJMNDFW-UHFFFAOYSA-N 2 0 318.425 0.127 10 0 DCAERP C[N@H+](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000395345123 417106675 /nfs/dbraw/zinc/10/66/75/417106675.db2.gz IJWJQYUZPMEERH-UHFFFAOYSA-N 2 0 318.465 0.918 10 0 DCAERP CCn1nccc1CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000621776260 417294492 /nfs/dbraw/zinc/29/44/92/417294492.db2.gz HGCIHPRATHNREX-HNNXBMFYSA-N 2 0 303.414 0.833 10 0 DCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788146 417360082 /nfs/dbraw/zinc/36/00/82/417360082.db2.gz QTQQCEORFYRTOG-ZBFHGGJFSA-N 2 0 305.422 0.859 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638274381 417399691 /nfs/dbraw/zinc/39/96/91/417399691.db2.gz HTQJKUPGKYBKJB-HZPDHXFCSA-N 2 0 304.438 0.608 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)C(C)C)C1 ZINC000156313483 519729881 /nfs/dbraw/zinc/72/98/81/519729881.db2.gz GOYZFTOGCDPLQC-HUUCEWRRSA-N 2 0 315.458 0.066 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)C(C)C)C1 ZINC000156313612 519729912 /nfs/dbraw/zinc/72/99/12/519729912.db2.gz GOYZFTOGCDPLQC-LSDHHAIUSA-N 2 0 315.458 0.066 10 0 DCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1C[NH3+] ZINC000251583886 665611753 /nfs/dbraw/zinc/61/17/53/665611753.db2.gz CMJLXTUCNXVJJG-MGPQQGTHSA-N 2 0 303.472 0.575 10 0 DCAERP CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCS(=O)(=O)C1 ZINC000721257513 663091009 /nfs/dbraw/zinc/09/10/09/663091009.db2.gz DDWIWOQNGWTFEK-RQJABVFESA-N 2 0 302.440 0.168 10 0 DCAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086893 666913945 /nfs/dbraw/zinc/91/39/45/666913945.db2.gz OQUBOSXMZIKGKW-HZSPNIEDSA-N 2 0 301.456 0.199 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000702391732 666947323 /nfs/dbraw/zinc/94/73/23/666947323.db2.gz PNOSNTOUOSEKCN-INIZCTEOSA-N 2 0 304.438 0.610 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000702422014 666955258 /nfs/dbraw/zinc/95/52/58/666955258.db2.gz CBCUFCPGWONBLY-KRWDZBQOSA-N 2 0 318.465 0.904 10 0 DCAERP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(Br)n1 ZINC000712410161 670149031 /nfs/dbraw/zinc/14/90/31/670149031.db2.gz YYQDSJYEQRFVJF-UHFFFAOYSA-N 2 0 317.231 0.729 10 0 DCAERP CN1[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C[C@H]1C(=O)NCC[NH+](C)C ZINC000248037412 257111202 /nfs/dbraw/zinc/11/12/02/257111202.db2.gz UXYKIPCDHQJOIJ-KBMXLJTQSA-N 2 0 320.437 0.462 10 0 DCAERP Cn1c2ccccc2cc(C[NH2+]CCN2CC[NH+](C)CC2)c1=O ZINC000039287334 395732614 /nfs/dbraw/zinc/73/26/14/395732614.db2.gz LDOHUKQKSWHIED-UHFFFAOYSA-N 2 0 314.433 0.876 10 0 DCAERP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000245540312 395931731 /nfs/dbraw/zinc/93/17/31/395931731.db2.gz KAVDXRNBKNEWKP-SOUVJXGZSA-N 2 0 322.453 0.093 10 0 DCAERP C[N@H+](CCC(=O)Nc1cccc(F)c1)CC(=O)N1CC[NH2+]CC1 ZINC000261619558 396049838 /nfs/dbraw/zinc/04/98/38/396049838.db2.gz AORBLPUFCQSIBX-UHFFFAOYSA-N 2 0 322.384 0.518 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261816188 396068533 /nfs/dbraw/zinc/06/85/33/396068533.db2.gz AFIGBZMUESRWFA-HEHGZKQESA-N 2 0 313.442 0.213 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)O1 ZINC000262045082 396093139 /nfs/dbraw/zinc/09/31/39/396093139.db2.gz QMPSNINFMZLYGD-FPCVCCKLSA-N 2 0 321.396 0.894 10 0 DCAERP CC(C)[NH+](CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C(C)C ZINC000262323961 396124748 /nfs/dbraw/zinc/12/47/48/396124748.db2.gz RQTQCQAOKSLNJE-CVEARBPZSA-N 2 0 321.469 0.958 10 0 DCAERP CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000262708572 396175323 /nfs/dbraw/zinc/17/53/23/396175323.db2.gz DWMQBEUOMZVRGJ-UONOGXRCSA-N 2 0 305.426 0.974 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000262942541 396193263 /nfs/dbraw/zinc/19/32/63/396193263.db2.gz ADCHPSPCRWBPQT-YDHLFZDLSA-N 2 0 312.458 0.275 10 0 DCAERP CO[C@H]1C[C@@H](CN(C)c2ncnc3c2CN(C)CC3)[N@H+](C)C1 ZINC000284582357 396345431 /nfs/dbraw/zinc/34/54/31/396345431.db2.gz PKAOAERCKVEXNO-STQMWFEESA-N 2 0 305.426 0.620 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140900 396342483 /nfs/dbraw/zinc/34/24/83/396342483.db2.gz UYDABBGONWJUAV-AWEZNQCLSA-N 2 0 300.447 0.690 10 0 DCAERP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000189367030 396394062 /nfs/dbraw/zinc/39/40/62/396394062.db2.gz CBJXYZJAZUHGAW-AWEZNQCLSA-N 2 0 300.447 0.690 10 0 DCAERP c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522600 396775455 /nfs/dbraw/zinc/77/54/55/396775455.db2.gz DNZANONNUGYFOR-CHWSQXEVSA-N 2 0 301.398 0.435 10 0 DCAERP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123627825 158232126 /nfs/dbraw/zinc/23/21/26/158232126.db2.gz CKWWKFWJMMHFDA-LBPRGKRZSA-N 2 0 307.398 0.520 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171750176 158386453 /nfs/dbraw/zinc/38/64/53/158386453.db2.gz HLLFEHPFVFNCQD-OAHLLOKOSA-N 2 0 323.485 0.502 10 0 DCAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000245469768 287069879 /nfs/dbraw/zinc/06/98/79/287069879.db2.gz VPIHVTVWVYKHIO-CABCVRRESA-N 2 0 324.469 0.387 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333611149 415695812 /nfs/dbraw/zinc/69/58/12/415695812.db2.gz QORXESRVDBTXOT-ILXRZTDVSA-N 2 0 312.458 0.329 10 0 DCAERP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810503 415744286 /nfs/dbraw/zinc/74/42/86/415744286.db2.gz POOVKPXGPNEXJX-AWEZNQCLSA-N 2 0 311.474 0.454 10 0 DCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170844697 416033919 /nfs/dbraw/zinc/03/39/19/416033919.db2.gz VHKZMBAKBXIATH-HNNXBMFYSA-N 2 0 318.421 0.849 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000174623578 416080942 /nfs/dbraw/zinc/08/09/42/416080942.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 2 0 312.458 0.833 10 0 DCAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000237953897 416329316 /nfs/dbraw/zinc/32/93/16/416329316.db2.gz DWHHYEREKXRLMX-LSDHHAIUSA-N 2 0 322.453 0.271 10 0 DCAERP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCC1 ZINC000560016244 416831397 /nfs/dbraw/zinc/83/13/97/416831397.db2.gz OGYLKYXHOFNYRG-AWEZNQCLSA-N 2 0 312.458 0.245 10 0 DCAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643774156 417348776 /nfs/dbraw/zinc/34/87/76/417348776.db2.gz NNOAZCKTEBNXTQ-MRXNPFEDSA-N 2 0 305.422 0.813 10 0 DCAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638802729 417562098 /nfs/dbraw/zinc/56/20/98/417562098.db2.gz BZAZVWGEKGDMLI-DLBZAZTESA-N 2 0 317.433 0.861 10 0 DCAERP CC(C)[NH+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C(C)C ZINC000550348234 288215510 /nfs/dbraw/zinc/21/55/10/288215510.db2.gz FZGFCWADMOTGKM-UHFFFAOYSA-N 2 0 314.474 0.632 10 0 DCAERP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551657583 288232292 /nfs/dbraw/zinc/23/22/92/288232292.db2.gz LBHJCNIJANHBIL-ZDUSSCGKSA-N 2 0 300.447 0.243 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333485085 288317076 /nfs/dbraw/zinc/31/70/76/288317076.db2.gz CNSUIMOQTRGBEG-WLYUNCDWSA-N 2 0 309.458 0.206 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000117046377 289198153 /nfs/dbraw/zinc/19/81/53/289198153.db2.gz KVANUWLZZMLTTP-OAHLLOKOSA-N 2 0 312.458 0.833 10 0 DCAERP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000333749238 295250155 /nfs/dbraw/zinc/25/01/55/295250155.db2.gz YTLFNIDGBKYYEC-FVQBIDKESA-N 2 0 318.421 0.883 10 0 DCAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262182758 545980450 /nfs/dbraw/zinc/98/04/50/545980450.db2.gz WXYNDANWQZWRQI-KBMXLJTQSA-N 2 0 305.422 0.294 10 0 DCAERP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262365915 545984676 /nfs/dbraw/zinc/98/46/76/545984676.db2.gz VQZLGLNEHZJDOD-HZPDHXFCSA-N 2 0 303.406 0.593 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000702432250 666956340 /nfs/dbraw/zinc/95/63/40/666956340.db2.gz VOYMYBPHBVTMNL-HOTGVXAUSA-N 2 0 304.438 0.656 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236840099 202034427 /nfs/dbraw/zinc/03/44/27/202034427.db2.gz VUCMVBWSZPQXFA-ZIAGYGMSSA-N 2 0 310.442 0.126 10 0 DCAERP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000111790269 395813367 /nfs/dbraw/zinc/81/33/67/395813367.db2.gz MVJSOXSDFSRXOM-CQSZACIVSA-N 2 0 300.447 0.738 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247309317 395971408 /nfs/dbraw/zinc/97/14/08/395971408.db2.gz NXQDKLBXTFTMLT-BZUAXINKSA-N 2 0 323.485 0.500 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000262474901 396144511 /nfs/dbraw/zinc/14/45/11/396144511.db2.gz XFIKJOYKVOXRIR-HOCLYGCPSA-N 2 0 309.454 0.945 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572388 396156679 /nfs/dbraw/zinc/15/66/79/396156679.db2.gz XPTMFVOLYKRTID-XJIUQZFPSA-N 2 0 309.454 0.977 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262641572 396167118 /nfs/dbraw/zinc/16/71/18/396167118.db2.gz KXVSYHROUGFFMO-WCVJEAGWSA-N 2 0 308.470 0.659 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140916 396342771 /nfs/dbraw/zinc/34/27/71/396342771.db2.gz UYDABBGONWJUAV-CQSZACIVSA-N 2 0 300.447 0.690 10 0 DCAERP CCOCCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C ZINC000188762256 396385907 /nfs/dbraw/zinc/38/59/07/396385907.db2.gz QJVLVNIIKUXEDM-GFCCVEGCSA-N 2 0 321.425 0.238 10 0 DCAERP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000606699485 397686979 /nfs/dbraw/zinc/68/69/79/397686979.db2.gz OOPDQUFZNJKOGH-CYBMUJFWSA-N 2 0 305.426 0.945 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000130151476 158293867 /nfs/dbraw/zinc/29/38/67/158293867.db2.gz IPJMHGRVPDPATB-CQSZACIVSA-N 2 0 317.437 0.563 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799378 415532502 /nfs/dbraw/zinc/53/25/02/415532502.db2.gz MCWPVRCDUQEYQH-RQJABVFESA-N 2 0 303.472 0.729 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333417899 415644439 /nfs/dbraw/zinc/64/44/39/415644439.db2.gz SCXQKDPQFKAZHC-FVQBIDKESA-N 2 0 324.469 0.758 10 0 DCAERP C[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616856 415698814 /nfs/dbraw/zinc/69/88/14/415698814.db2.gz REPCNJKZFFPOPI-VRKREXBASA-N 2 0 324.469 0.614 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000333895329 415762292 /nfs/dbraw/zinc/76/22/92/415762292.db2.gz YYYZAHXKQQTIIL-LSDHHAIUSA-N 2 0 310.442 0.492 10 0 DCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178204137 416158858 /nfs/dbraw/zinc/15/88/58/416158858.db2.gz WPMCJJXVFBRJHF-AWEZNQCLSA-N 2 0 324.469 0.291 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638274376 417399777 /nfs/dbraw/zinc/39/97/77/417399777.db2.gz HTQJKUPGKYBKJB-CVEARBPZSA-N 2 0 304.438 0.608 10 0 DCAERP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000580477848 417704959 /nfs/dbraw/zinc/70/49/59/417704959.db2.gz GHNVEZPAETUUIT-BLLLJJGKSA-N 2 0 307.394 0.933 10 0 DCAERP CC[NH+]1CCC(CCNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471657736 272028790 /nfs/dbraw/zinc/02/87/90/272028790.db2.gz ZEWDPNVSWVLYAZ-UHFFFAOYSA-N 2 0 314.474 0.986 10 0 DCAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000262167012 276272625 /nfs/dbraw/zinc/27/26/25/276272625.db2.gz UMXZQIIYBIRIDI-FVCCEPFGSA-N 2 0 320.380 0.914 10 0 DCAERP C[NH+]1CCC([C@@H]2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)C2)CC1 ZINC000262809873 277032966 /nfs/dbraw/zinc/03/29/66/277032966.db2.gz TYVWWCJLYYAWIJ-CYBMUJFWSA-N 2 0 317.437 0.859 10 0 DCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000342084246 278291887 /nfs/dbraw/zinc/29/18/87/278291887.db2.gz BDJVEVIUTPOJSC-LXTVHRRPSA-N 2 0 312.458 0.566 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333889028 289152994 /nfs/dbraw/zinc/15/29/94/289152994.db2.gz GMVGSMKYMRTPHH-OAHLLOKOSA-N 2 0 311.474 0.454 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003846 521718889 /nfs/dbraw/zinc/71/88/89/521718889.db2.gz RSZJBRKFJFQFGB-FZMZJTMJSA-N 2 0 305.426 0.858 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000262342179 527321653 /nfs/dbraw/zinc/32/16/53/527321653.db2.gz TWIOMFXFNJKXEX-CABCVRRESA-N 2 0 305.426 0.325 10 0 DCAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262409185 545985388 /nfs/dbraw/zinc/98/53/88/545985388.db2.gz ZDBKDWAIWFXSHX-BXUZGUMPSA-N 2 0 317.389 0.805 10 0 DCAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3nc4ccccn4c3=O)C[C@@H]21 ZINC000262353698 657740982 /nfs/dbraw/zinc/74/09/82/657740982.db2.gz VPKPGFUQOPZBAZ-MELADBBJSA-N 2 0 301.394 0.555 10 0 DCAERP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000113104655 659671087 /nfs/dbraw/zinc/67/10/87/659671087.db2.gz HUGYLBWNUBLXIY-ZIAGYGMSSA-N 2 0 301.456 0.628 10 0 DCAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)CC2 ZINC000261841401 661744767 /nfs/dbraw/zinc/74/47/67/661744767.db2.gz AJKIMEYMRPNRAB-TUVASFSCSA-N 2 0 305.426 0.648 10 0 DCAERP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405158284 774151904 /nfs/dbraw/zinc/15/19/04/774151904.db2.gz MKUHFBLPASPRQW-OAHLLOKOSA-N 2 0 323.462 0.884 10 0 DCAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000058295849 395952476 /nfs/dbraw/zinc/95/24/76/395952476.db2.gz DACNQOPOLHHJDZ-AWEZNQCLSA-N 2 0 306.458 0.540 10 0 DCAERP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247054248 395964814 /nfs/dbraw/zinc/96/48/14/395964814.db2.gz ZLKDMMXLUWMVEH-CGTJXYLNSA-N 2 0 323.481 0.628 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000261974234 396085871 /nfs/dbraw/zinc/08/58/71/396085871.db2.gz LROFFONALMSTCX-WCVJEAGWSA-N 2 0 303.406 0.694 10 0 DCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261881036 396075212 /nfs/dbraw/zinc/07/52/12/396075212.db2.gz UPTFUNNBDNHKCX-GDBMZVCRSA-N 2 0 309.454 0.931 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C[NH3+])C2CCCCC2)cn1 ZINC000261960150 396084077 /nfs/dbraw/zinc/08/40/77/396084077.db2.gz PNJHWJNJFQQHQI-OWCLPIDISA-N 2 0 319.453 0.747 10 0 DCAERP CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000262708568 396174084 /nfs/dbraw/zinc/17/40/84/396174084.db2.gz DWMQBEUOMZVRGJ-KBPBESRZSA-N 2 0 305.426 0.974 10 0 DCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184708561 396302891 /nfs/dbraw/zinc/30/28/91/396302891.db2.gz WPFOPOAVGMHBKD-UKRRQHHQSA-N 2 0 312.458 0.567 10 0 DCAERP COC[C@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187215280 396365346 /nfs/dbraw/zinc/36/53/46/396365346.db2.gz XLYVADKZJPVUBC-SJORKVTESA-N 2 0 313.486 0.996 10 0 DCAERP CCOCCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H]1C ZINC000188762234 396385660 /nfs/dbraw/zinc/38/56/60/396385660.db2.gz QJVLVNIIKUXEDM-LBPRGKRZSA-N 2 0 321.425 0.238 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@@H]21 ZINC000189732724 396398474 /nfs/dbraw/zinc/39/84/74/396398474.db2.gz NACVNLXDGONSHW-CABCVRRESA-N 2 0 315.483 0.828 10 0 DCAERP OC(C[NH+]1CC[C@H]2OCC[C@H]2C1)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366791349 397393290 /nfs/dbraw/zinc/39/32/90/397393290.db2.gz RSDAXRHZFNQEFB-XJNFMUPTSA-N 2 0 310.438 0.569 10 0 DCAERP CCOC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182624714 286171754 /nfs/dbraw/zinc/17/17/54/286171754.db2.gz SPCDBKPSBOZUQM-FCLJQHQZSA-N 2 0 311.470 0.627 10 0 DCAERP COCC(C)(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000076496260 158064454 /nfs/dbraw/zinc/06/44/54/158064454.db2.gz DVWQDFIXSJITFU-CQSZACIVSA-N 2 0 315.458 0.474 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@@H+]1C1CC1 ZINC000129037147 158285263 /nfs/dbraw/zinc/28/52/63/158285263.db2.gz JCNHUCYHZRXOQL-UKRRQHHQSA-N 2 0 324.469 0.615 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000172125090 158390901 /nfs/dbraw/zinc/39/09/01/158390901.db2.gz RONSOMFIFGCSIF-INIZCTEOSA-N 2 0 324.469 0.833 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090601 /nfs/dbraw/zinc/09/06/01/287090601.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 0 324.469 0.339 10 0 DCAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000333390779 415635686 /nfs/dbraw/zinc/63/56/86/415635686.db2.gz OTLDGIZASKFXLS-LSDHHAIUSA-N 2 0 311.474 0.311 10 0 DCAERP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333758277 415732614 /nfs/dbraw/zinc/73/26/14/415732614.db2.gz ADJIWQMRNICSHZ-HUUCEWRRSA-N 2 0 311.474 0.454 10 0 DCAERP C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000333840264 415748234 /nfs/dbraw/zinc/74/82/34/415748234.db2.gz ODKBLMPRRKGAHV-KBPBESRZSA-N 2 0 312.458 0.615 10 0 DCAERP C[C@H]1CN(CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000192737080 416310475 /nfs/dbraw/zinc/31/04/75/416310475.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 0 324.513 0.809 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696248 416335530 /nfs/dbraw/zinc/33/55/30/416335530.db2.gz JQDZIWGWTQMNPR-GXTWGEPZSA-N 2 0 318.425 0.511 10 0 DCAERP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261938943 416335950 /nfs/dbraw/zinc/33/59/50/416335950.db2.gz KZFCZTLKUADQEP-OAGGEKHMSA-N 2 0 308.470 0.661 10 0 DCAERP C[NH2+]C[C@H](O)C[C@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000536954893 416549781 /nfs/dbraw/zinc/54/97/81/416549781.db2.gz MYVSRTIEVNIYIY-DOMZBBRYSA-N 2 0 301.431 0.933 10 0 DCAERP O=C(NCCN1CC[NH2+]CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333804010 295647875 /nfs/dbraw/zinc/64/78/75/295647875.db2.gz IGNFPRPNDKDZEB-INIZCTEOSA-N 2 0 323.485 0.552 10 0 DCAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262409193 545985183 /nfs/dbraw/zinc/98/51/83/545985183.db2.gz ZDBKDWAIWFXSHX-RISCZKNCSA-N 2 0 317.389 0.805 10 0 DCAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C ZINC000888097300 661176549 /nfs/dbraw/zinc/17/65/49/661176549.db2.gz HCWGWTZUZRMNHI-KLHDSHLOSA-N 2 0 307.442 0.775 10 0 DCAERP CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893055358 659709311 /nfs/dbraw/zinc/70/93/11/659709311.db2.gz BSJNEPZZXXVXPJ-HUUCEWRRSA-N 2 0 317.499 0.978 10 0 DCAERP C[C@@H]1C[C@H](C)N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000333316050 661853667 /nfs/dbraw/zinc/85/36/67/661853667.db2.gz STKHHZVKPODGTD-QLFBSQMISA-N 2 0 319.453 0.794 10 0 DCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396594 666949557 /nfs/dbraw/zinc/94/95/57/666949557.db2.gz GOTLXFWTFQYZIV-RDJZCZTQSA-N 2 0 318.465 0.998 10 0 DCAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000193640901 670321159 /nfs/dbraw/zinc/32/11/59/670321159.db2.gz ZWWYQPYTPGLHJX-UKRRQHHQSA-N 2 0 317.437 0.704 10 0 DCAERP O=S(=O)(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405103822 774151128 /nfs/dbraw/zinc/15/11/28/774151128.db2.gz AHCMAIXWZWBWNU-OAHLLOKOSA-N 2 0 323.462 0.932 10 0 DCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261947305 284641409 /nfs/dbraw/zinc/64/14/09/284641409.db2.gz YMWNMDUPTVFLEI-CQSZACIVSA-N 2 0 313.442 0.454 10 0 DCAERP CN1CCN(Nc2[nH+]cnc(Nc3cc[nH+]cc3)c2N)CC1 ZINC000040687561 183117717 /nfs/dbraw/zinc/11/77/17/183117717.db2.gz FTUSVJKEFVTBRR-UHFFFAOYSA-N 2 0 300.370 0.772 10 0 DCAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117031560 284760370 /nfs/dbraw/zinc/76/03/70/284760370.db2.gz FVEVBMZAZYFUOU-KBPBESRZSA-N 2 0 300.447 0.689 10 0 DCAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000034437023 395718009 /nfs/dbraw/zinc/71/80/09/395718009.db2.gz ROSQXCOWODZPRU-XLAORIBOSA-N 2 0 300.402 0.848 10 0 DCAERP CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237131880 395903567 /nfs/dbraw/zinc/90/35/67/395903567.db2.gz NXULYRSCDQHTRK-QEJZJMRPSA-N 2 0 322.453 0.234 10 0 DCAERP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246864898 395959715 /nfs/dbraw/zinc/95/97/15/395959715.db2.gz PUMURBLSIDVRSL-OIISXLGYSA-N 2 0 321.465 0.918 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247649859 395977192 /nfs/dbraw/zinc/97/71/92/395977192.db2.gz WLCAHEYQJVKAIQ-JKSUJKDBSA-N 2 0 324.469 0.833 10 0 DCAERP c1ccc(C[NH+]2CCN(CCNC3=[NH+]CCCN3)CC2)cc1 ZINC000068467061 396056569 /nfs/dbraw/zinc/05/65/69/396056569.db2.gz KJHRNDUFCSSTEQ-UHFFFAOYSA-N 2 0 301.438 0.743 10 0 DCAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2noc(CN)n2)CC1 ZINC000262175598 396107131 /nfs/dbraw/zinc/10/71/31/396107131.db2.gz ICWZSYZHNWORIS-OKILXGFUSA-N 2 0 322.457 0.519 10 0 DCAERP Cc1cnn(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000175775611 396142591 /nfs/dbraw/zinc/14/25/91/396142591.db2.gz HCRRGUPAUFZDRH-UHFFFAOYSA-N 2 0 322.457 0.517 10 0 DCAERP CC(C)n1nnnc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000162193506 396079184 /nfs/dbraw/zinc/07/91/84/396079184.db2.gz WYOJPLCWOLWFPN-UHFFFAOYSA-N 2 0 309.462 0.712 10 0 DCAERP CC[NH+]1CCN(CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539195 396352156 /nfs/dbraw/zinc/35/21/56/396352156.db2.gz YAPFFASEMUEJSZ-HNNXBMFYSA-N 2 0 308.470 0.757 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948904 397004319 /nfs/dbraw/zinc/00/43/19/397004319.db2.gz FTJSSEBVAZNVHP-UONOGXRCSA-N 2 0 322.453 0.282 10 0 DCAERP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000133444330 158319500 /nfs/dbraw/zinc/31/95/00/158319500.db2.gz FAPXUORFZOBBMB-AWEZNQCLSA-N 2 0 314.455 0.985 10 0 DCAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262182756 158781949 /nfs/dbraw/zinc/78/19/49/158781949.db2.gz WXYNDANWQZWRQI-FVQBIDKESA-N 2 0 305.422 0.294 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757704 287036130 /nfs/dbraw/zinc/03/61/30/287036130.db2.gz ROUZUDNXANSHKA-ZIAGYGMSSA-N 2 0 305.488 0.978 10 0 DCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000247292628 287092747 /nfs/dbraw/zinc/09/27/47/287092747.db2.gz KWQBCYIBYSNVMW-RBSFLKMASA-N 2 0 324.469 0.241 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247197184 287091867 /nfs/dbraw/zinc/09/18/67/287091867.db2.gz WXKSPOBDAJHBPP-HZPDHXFCSA-N 2 0 324.469 0.834 10 0 DCAERP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000262100703 287150855 /nfs/dbraw/zinc/15/08/55/287150855.db2.gz UYOLDPRRMAOWRD-YUELXQCFSA-N 2 0 313.442 0.044 10 0 DCAERP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353442947 415547031 /nfs/dbraw/zinc/54/70/31/415547031.db2.gz DOJFFEWVTZROKS-GVDBMIGSSA-N 2 0 308.470 0.613 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302451 415604527 /nfs/dbraw/zinc/60/45/27/415604527.db2.gz JAYLQRJPKXRNEF-TZMCWYRMSA-N 2 0 300.472 0.865 10 0 DCAERP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000333840266 415747425 /nfs/dbraw/zinc/74/74/25/415747425.db2.gz ODKBLMPRRKGAHV-KGLIPLIRSA-N 2 0 312.458 0.615 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC2CCC2)CC1 ZINC000171746278 416040921 /nfs/dbraw/zinc/04/09/21/416040921.db2.gz HJDVCOJVGBKTQY-CQSZACIVSA-N 2 0 311.470 0.927 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000177498886 416146958 /nfs/dbraw/zinc/14/69/58/416146958.db2.gz KQYOHKOPSLVEFG-KGLIPLIRSA-N 2 0 307.398 0.388 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178887664 416176724 /nfs/dbraw/zinc/17/67/24/416176724.db2.gz GYOKDULOMWRTTN-INIZCTEOSA-N 2 0 323.416 0.383 10 0 DCAERP C[NH+](C)CCN1C[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516746 416256014 /nfs/dbraw/zinc/25/60/14/416256014.db2.gz IAGFAQCEAOHEOP-KGLIPLIRSA-N 2 0 322.453 0.140 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192591401 416308384 /nfs/dbraw/zinc/30/83/84/416308384.db2.gz TYZDBWCUSJTSOT-AWEZNQCLSA-N 2 0 301.456 0.582 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000535260887 416519534 /nfs/dbraw/zinc/51/95/34/416519534.db2.gz HYSQPENNROJVSG-CABCVRRESA-N 2 0 303.410 0.841 10 0 DCAERP C[C@H](CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC000548345531 416686508 /nfs/dbraw/zinc/68/65/08/416686508.db2.gz ZTFOYZZWQFVXOI-OCCSQVGLSA-N 2 0 305.426 1.382 10 0 DCAERP C[NH+]1CCC(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000362715593 262063848 /nfs/dbraw/zinc/06/38/48/262063848.db2.gz LCRKYCYINYYPGV-HNNXBMFYSA-N 2 0 324.469 0.422 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000358661129 271065179 /nfs/dbraw/zinc/06/51/79/271065179.db2.gz HRCJCTDCYQCPEH-UHFFFAOYSA-N 2 0 324.469 0.737 10 0 DCAERP CC[NH+](CC)CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804945 276322855 /nfs/dbraw/zinc/32/28/55/276322855.db2.gz JCVOFGYAOJPHNN-LLVKDONJSA-N 2 0 310.364 0.281 10 0 DCAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000189015194 287968792 /nfs/dbraw/zinc/96/87/92/287968792.db2.gz ZJTGPKDFWNFTBZ-KBUPBQIOSA-N 2 0 322.453 0.043 10 0 DCAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000547272634 288035352 /nfs/dbraw/zinc/03/53/52/288035352.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 0 309.458 0.183 10 0 DCAERP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000262100694 280366052 /nfs/dbraw/zinc/36/60/52/280366052.db2.gz UYOLDPRRMAOWRD-CFVMTHIKSA-N 2 0 313.442 0.044 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000262403577 294300922 /nfs/dbraw/zinc/30/09/22/294300922.db2.gz YUMBXJMQOJOXBK-XHSDSOJGSA-N 2 0 317.437 0.420 10 0 DCAERP C[C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000722257635 660511006 /nfs/dbraw/zinc/51/10/06/660511006.db2.gz QIUAIZCOCUVMNL-KGLIPLIRSA-N 2 0 303.472 0.780 10 0 DCAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)CC2 ZINC000261841397 661744536 /nfs/dbraw/zinc/74/45/36/661744536.db2.gz AJKIMEYMRPNRAB-LXTVHRRPSA-N 2 0 305.426 0.648 10 0 DCAERP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702069149 666909504 /nfs/dbraw/zinc/90/95/04/666909504.db2.gz HLMDTVUEDWTYQQ-XYJFISCASA-N 2 0 317.433 0.941 10 0 DCAERP COCCNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706008660 667395999 /nfs/dbraw/zinc/39/59/99/667395999.db2.gz PJRFSBKIKKZNBU-CHWSQXEVSA-N 2 0 302.488 0.179 10 0 DCAERP CN1CC[C@](O)(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711406799 667462919 /nfs/dbraw/zinc/46/29/19/667462919.db2.gz MDCQXFIAXLDFJC-ZENOOKHLSA-N 2 0 313.442 0.946 10 0 DCAERP C[N@@H+]1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424816 191159411 /nfs/dbraw/zinc/15/94/11/191159411.db2.gz ISKRRNZOCAMKAH-AWEZNQCLSA-N 2 0 305.426 0.463 10 0 DCAERP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261660677 396053103 /nfs/dbraw/zinc/05/31/03/396053103.db2.gz FSDVAUCYQNSXNN-VNHYZAJKSA-N 2 0 313.442 0.356 10 0 DCAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000261989164 396087739 /nfs/dbraw/zinc/08/77/39/396087739.db2.gz CQVGPKGWZKNSQN-CQSZACIVSA-N 2 0 310.442 0.141 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000262071795 396096528 /nfs/dbraw/zinc/09/65/28/396096528.db2.gz GEWZSVRHRGJAOU-GUTXKFCHSA-N 2 0 310.442 0.171 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096321 396099047 /nfs/dbraw/zinc/09/90/47/396099047.db2.gz DKSZRTOEWBSHIV-KFWWJZLASA-N 2 0 305.426 0.324 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262174911 396107345 /nfs/dbraw/zinc/10/73/45/396107345.db2.gz YTRJKDPNYRHISQ-GJZGRUSLSA-N 2 0 313.442 0.213 10 0 DCAERP NCc1nc(CN2CC[NH+](CCc3cccs3)CC2)no1 ZINC000262295967 396119943 /nfs/dbraw/zinc/11/99/43/396119943.db2.gz WTKKJHYNYNIXCI-UHFFFAOYSA-N 2 0 307.423 0.950 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262416009 396137503 /nfs/dbraw/zinc/13/75/03/396137503.db2.gz ZQCZQNBKFJNZIN-YESZJQIVSA-N 2 0 317.433 0.595 10 0 DCAERP O=C1C[C@@H]([NH2+][C@H]2CCCSC2)CN1CCN1CCOCC1 ZINC000183609985 396271716 /nfs/dbraw/zinc/27/17/16/396271716.db2.gz WCXSUNSFYDEEQJ-UONOGXRCSA-N 2 0 313.467 0.405 10 0 DCAERP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185188804 396320979 /nfs/dbraw/zinc/32/09/79/396320979.db2.gz UTHNMNCVMJSPJW-ZIAGYGMSSA-N 2 0 300.447 0.425 10 0 DCAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000333390778 396923883 /nfs/dbraw/zinc/92/38/83/396923883.db2.gz OTLDGIZASKFXLS-HUUCEWRRSA-N 2 0 311.474 0.311 10 0 DCAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000261832026 158744539 /nfs/dbraw/zinc/74/45/39/158744539.db2.gz BSWQEGDXAYJWEM-UHFFFAOYSA-N 3 0 308.470 0.616 10 0 DCAERP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246515004 287084906 /nfs/dbraw/zinc/08/49/06/287084906.db2.gz BNVQPJAINAZLDJ-IMJJTQAJSA-N 2 0 324.469 0.528 10 0 DCAERP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C1(C)C[NH2+]C1 ZINC000333287472 415602265 /nfs/dbraw/zinc/60/22/65/415602265.db2.gz NSLLUQGBSXJAFN-DZGCQCFKSA-N 2 0 319.453 0.871 10 0 DCAERP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554764 416335519 /nfs/dbraw/zinc/33/55/19/416335519.db2.gz UMTHYCWPSXDGKL-MRXNPFEDSA-N 2 0 305.422 0.955 10 0 DCAERP C(c1nnnn1CC1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565951647 417036673 /nfs/dbraw/zinc/03/66/73/417036673.db2.gz SDATWYFNIBGPIM-GASCZTMLSA-N 2 0 320.441 0.531 10 0 DCAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071684 417136046 /nfs/dbraw/zinc/13/60/46/417136046.db2.gz OOQXAAWLIBSXPH-RDBSUJKOSA-N 2 0 303.472 0.921 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488720231 272048919 /nfs/dbraw/zinc/04/89/19/272048919.db2.gz PHLBBTNYUSHDHL-WCVJEAGWSA-N 2 0 300.443 0.408 10 0 DCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187298261 529088666 /nfs/dbraw/zinc/08/86/66/529088666.db2.gz VZIZIIXLSLYVAA-CABCVRRESA-N 2 0 312.458 0.737 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000262570218 662490099 /nfs/dbraw/zinc/49/00/99/662490099.db2.gz XKAMDYHNZWKCSC-OEUWWYETSA-N 2 0 307.438 0.826 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702397259 666949105 /nfs/dbraw/zinc/94/91/05/666949105.db2.gz LUIGPBPHKZLMMQ-VNQPRFMTSA-N 2 0 304.438 0.512 10 0 DCAERP CCCS(=O)(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862674 672241458 /nfs/dbraw/zinc/24/14/58/672241458.db2.gz VRLFOWLQDIETDC-AWEZNQCLSA-N 2 0 320.499 0.836 10 0 DCAERP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209215 774153698 /nfs/dbraw/zinc/15/36/98/774153698.db2.gz AYBLOKLJMPLHDX-UKRRQHHQSA-N 2 0 323.462 0.788 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236840128 202033988 /nfs/dbraw/zinc/03/39/88/202033988.db2.gz VUCMVBWSZPQXFA-KGLIPLIRSA-N 2 0 310.442 0.126 10 0 DCAERP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000247973533 257113135 /nfs/dbraw/zinc/11/31/35/257113135.db2.gz IAAJAOXFYRHXGM-KFWWJZLASA-N 2 0 307.394 0.689 10 0 DCAERP Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000119896250 132137032 /nfs/dbraw/zinc/13/70/32/132137032.db2.gz ZWLOLUHAPIMQBL-KBPBESRZSA-N 2 0 306.410 0.532 10 0 DCAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000238076435 395920422 /nfs/dbraw/zinc/92/04/22/395920422.db2.gz CYZMQJNORNKENJ-HOTGVXAUSA-N 2 0 303.406 0.490 10 0 DCAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262071363 396096588 /nfs/dbraw/zinc/09/65/88/396096588.db2.gz BSIVKVJESLWILR-IMJJTQAJSA-N 2 0 319.453 0.714 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000171078141 396105836 /nfs/dbraw/zinc/10/58/36/396105836.db2.gz KZVCXDSNDSMUNJ-CABCVRRESA-N 2 0 314.474 0.863 10 0 DCAERP COCC[NH2+]CC(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000261944737 396082715 /nfs/dbraw/zinc/08/27/15/396082715.db2.gz KYPQSTPLFFBCNF-CQSZACIVSA-N 2 0 307.394 0.404 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccn2)CC1 ZINC000262577599 396157506 /nfs/dbraw/zinc/15/75/06/396157506.db2.gz KYKSEGZMHSDDIW-CQSZACIVSA-N 2 0 317.437 0.563 10 0 DCAERP CN(CC(C)(C)C[NH3+])C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262581046 396158539 /nfs/dbraw/zinc/15/85/39/396158539.db2.gz JMOCCSSFEPYBFZ-UHFFFAOYSA-N 2 0 319.453 0.890 10 0 DCAERP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262636338 396165915 /nfs/dbraw/zinc/16/59/15/396165915.db2.gz HTAQQUSKQPVSIU-CQSZACIVSA-N 2 0 304.438 0.901 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000606703387 397686885 /nfs/dbraw/zinc/68/68/85/397686885.db2.gz UBIJTNJHCAMLRS-HNNXBMFYSA-N 2 0 303.410 0.699 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000113592936 158148908 /nfs/dbraw/zinc/14/89/08/158148908.db2.gz LFRMMPDOIJAPDC-JKSUJKDBSA-N 2 0 324.469 0.977 10 0 DCAERP CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000125157525 158252634 /nfs/dbraw/zinc/25/26/34/158252634.db2.gz DVJMTGSHMLZTCZ-HOTGVXAUSA-N 2 0 310.486 0.955 10 0 DCAERP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CCOCC1 ZINC000136811530 158344416 /nfs/dbraw/zinc/34/44/16/158344416.db2.gz UTFWBQKLLXNPSI-OAGGEKHMSA-N 2 0 324.469 0.833 10 0 DCAERP CSC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000249474693 287111482 /nfs/dbraw/zinc/11/14/82/287111482.db2.gz TVZKADFZKZYNML-VFSICIBPSA-N 2 0 313.511 0.953 10 0 DCAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333657030 415708029 /nfs/dbraw/zinc/70/80/29/415708029.db2.gz KXBNHYCTBAQUKX-HOCLYGCPSA-N 2 0 324.469 0.738 10 0 DCAERP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816627 415745543 /nfs/dbraw/zinc/74/55/43/415745543.db2.gz QKOVQKRQHVUHLA-FXUDXRNXSA-N 2 0 318.421 0.406 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000119793304 415749613 /nfs/dbraw/zinc/74/96/13/415749613.db2.gz DPPRNUZMXDKMOH-KBPBESRZSA-N 2 0 300.447 0.593 10 0 DCAERP CN(C)c1cc[nH+]cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000183854028 416251024 /nfs/dbraw/zinc/25/10/24/416251024.db2.gz WZEDPLZDTLRLCR-UHFFFAOYSA-N 2 0 319.453 0.903 10 0 DCAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186706078 416257944 /nfs/dbraw/zinc/25/79/44/416257944.db2.gz YYKCRFGXAAGMPT-HIFRSBDPSA-N 2 0 317.437 0.561 10 0 DCAERP C[C@@H]1C(=O)NCCC[NH+]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249030133 416334241 /nfs/dbraw/zinc/33/42/41/416334241.db2.gz LOISBZRSOMLXDQ-ZIAGYGMSSA-N 2 0 310.442 0.187 10 0 DCAERP C[NH+](C)CC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000524370546 417104360 /nfs/dbraw/zinc/10/43/60/417104360.db2.gz RAWWMOXZPFNHGM-JKSUJKDBSA-N 2 0 300.443 0.817 10 0 DCAERP C(CN1CCOCC1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240512 417556858 /nfs/dbraw/zinc/55/68/58/417556858.db2.gz MLDGLSWONFNMPP-QGZVFWFLSA-N 2 0 311.470 0.799 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000577239805 417676636 /nfs/dbraw/zinc/67/66/36/417676636.db2.gz RMPUIXUOSOTDEP-DKUMPPAJSA-N 2 0 322.453 0.280 10 0 DCAERP C[NH+]1CCC(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000362389279 262028572 /nfs/dbraw/zinc/02/85/72/262028572.db2.gz NHSHYKJPGAISER-UHFFFAOYSA-N 2 0 322.497 0.958 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000358657322 271065249 /nfs/dbraw/zinc/06/52/49/271065249.db2.gz CJINETSZHFPUKC-UHFFFAOYSA-N 2 0 303.410 0.867 10 0 DCAERP CCC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000157859861 520582565 /nfs/dbraw/zinc/58/25/65/520582565.db2.gz MIIGKHBETGPXBJ-LSDHHAIUSA-N 2 0 324.469 0.482 10 0 DCAERP CCC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000157859729 520972419 /nfs/dbraw/zinc/97/24/19/520972419.db2.gz MIIGKHBETGPXBJ-CABCVRRESA-N 2 0 324.469 0.482 10 0 DCAERP O=C(CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000721485392 657944867 /nfs/dbraw/zinc/94/48/67/657944867.db2.gz JPGJWTWDIGCSIJ-SNVBAGLBSA-N 2 0 311.373 0.788 10 0 DCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1C[NH3+] ZINC000251583879 665611862 /nfs/dbraw/zinc/61/18/62/665611862.db2.gz CMJLXTUCNXVJJG-MCIONIFRSA-N 2 0 303.472 0.575 10 0 DCAERP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245627 685065636 /nfs/dbraw/zinc/06/56/36/685065636.db2.gz ZBMWXSBUSXSCQE-GJZGRUSLSA-N 2 0 311.474 0.343 10 0 DCAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106529886 395782972 /nfs/dbraw/zinc/78/29/72/395782972.db2.gz NVJNQPGRFGGRQM-CABCVRRESA-N 2 0 313.490 0.652 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]([NH3+])C3CC3)ccn2)CC1 ZINC000237237079 395907765 /nfs/dbraw/zinc/90/77/65/395907765.db2.gz ICTPKTVPAZTKSV-CQSZACIVSA-N 2 0 303.410 0.301 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000247597464 395976566 /nfs/dbraw/zinc/97/65/66/395976566.db2.gz SQAAFWPUKOXFFO-CVEARBPZSA-N 2 0 324.469 0.977 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247649856 395977224 /nfs/dbraw/zinc/97/72/24/395977224.db2.gz WLCAHEYQJVKAIQ-HOTGVXAUSA-N 2 0 324.469 0.833 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000262101988 396098795 /nfs/dbraw/zinc/09/87/95/396098795.db2.gz DUCCGROIRCRIHU-CVEARBPZSA-N 2 0 317.437 0.277 10 0 DCAERP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000262119100 396101485 /nfs/dbraw/zinc/10/14/85/396101485.db2.gz FSWPGCLJJWUJQX-YUDUHTQSSA-N 2 0 317.437 0.465 10 0 DCAERP C[C@@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000262142326 396103734 /nfs/dbraw/zinc/10/37/34/396103734.db2.gz HFQYCNLUZBALRZ-HUUCEWRRSA-N 2 0 319.453 0.903 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000262321093 396123798 /nfs/dbraw/zinc/12/37/98/396123798.db2.gz CSDGOHBQNLLXOH-JYJNAYRXSA-N 2 0 309.454 0.945 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262416001 396137534 /nfs/dbraw/zinc/13/75/34/396137534.db2.gz ZQCZQNBKFJNZIN-IKGGRYGDSA-N 2 0 317.433 0.595 10 0 DCAERP O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000262416164 396137651 /nfs/dbraw/zinc/13/76/51/396137651.db2.gz ZSGRQEBFYPFXCN-IAGOWNOFSA-N 2 0 317.433 0.595 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176098589 396149881 /nfs/dbraw/zinc/14/98/81/396149881.db2.gz YRUWDHOMCNSFRB-OAHLLOKOSA-N 2 0 323.441 0.944 10 0 DCAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313622 396193703 /nfs/dbraw/zinc/19/37/03/396193703.db2.gz MCBSGBMMQZHRQM-GJZGRUSLSA-N 2 0 306.410 0.951 10 0 DCAERP CC(C)[NH+]1CCN(CCCN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000192736126 396436887 /nfs/dbraw/zinc/43/68/87/396436887.db2.gz DVIZCNXUISSNPC-KRWDZBQOSA-N 2 0 312.502 0.665 10 0 DCAERP c1nc(N2CCOCC2)cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000634813007 396921914 /nfs/dbraw/zinc/92/19/14/396921914.db2.gz WWCSIRMKWARNNL-KBPBESRZSA-N 2 0 303.410 0.892 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948905 397004360 /nfs/dbraw/zinc/00/43/60/397004360.db2.gz FTJSSEBVAZNVHP-ZIAGYGMSSA-N 2 0 322.453 0.282 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000173504542 292335990 /nfs/dbraw/zinc/33/59/90/292335990.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC[C@@H](C)O)C1 ZINC000075781847 158063425 /nfs/dbraw/zinc/06/34/25/158063425.db2.gz IQRSGDLLVDSTNV-HUUCEWRRSA-N 2 0 315.458 0.162 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000079999385 158079989 /nfs/dbraw/zinc/07/99/89/158079989.db2.gz XENMATAWZQCORZ-UHFFFAOYSA-N 2 0 324.469 0.836 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC3CCC([NH3+])CC3)ccn2)CC1 ZINC000131901988 158307088 /nfs/dbraw/zinc/30/70/88/158307088.db2.gz JUETWVRMHGKUDR-UHFFFAOYSA-N 2 0 317.437 0.833 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171040057 158379528 /nfs/dbraw/zinc/37/95/28/158379528.db2.gz ZMWMUGMRASCFJR-INIZCTEOSA-N 2 0 324.469 0.979 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171904765 158388460 /nfs/dbraw/zinc/38/84/60/158388460.db2.gz LYTBLVPBSGEJDH-HNNXBMFYSA-N 2 0 310.442 0.587 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000111867933 415701879 /nfs/dbraw/zinc/70/18/79/415701879.db2.gz SIYHOWKVFGCJLV-MRXNPFEDSA-N 2 0 324.469 0.834 10 0 DCAERP C[C@H]1CCC[C@](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)([NH+](C)C)C1 ZINC000333793908 415741955 /nfs/dbraw/zinc/74/19/55/415741955.db2.gz MWDJQJYAFKYCQH-YXWQFLTLSA-N 2 0 312.458 0.471 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173985918 416070199 /nfs/dbraw/zinc/07/01/99/416070199.db2.gz JVZWFGAEKFOWFM-OAHLLOKOSA-N 2 0 310.442 0.610 10 0 DCAERP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357973151 416163521 /nfs/dbraw/zinc/16/35/21/416163521.db2.gz KMFAEVCUTANZKO-UHFFFAOYSA-N 2 0 324.469 0.603 10 0 DCAERP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000190683360 416280459 /nfs/dbraw/zinc/28/04/59/416280459.db2.gz GATSDPABCOLERS-OUCADQQQSA-N 2 0 303.472 0.586 10 0 DCAERP Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263286144 416337541 /nfs/dbraw/zinc/33/75/41/416337541.db2.gz VANDCXBASHLYFE-DZGCQCFKSA-N 2 0 301.394 0.554 10 0 DCAERP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CC[N@H+](C)CC1 ZINC000541893969 416617387 /nfs/dbraw/zinc/61/73/87/416617387.db2.gz SFWYJHWRUQLYQD-ZDUSSCGKSA-N 2 0 303.410 0.865 10 0 DCAERP c1nc2n(n1)[C@@H](C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000631829937 416756821 /nfs/dbraw/zinc/75/68/21/416756821.db2.gz FEKYOPIVBHKIHW-HUUCEWRRSA-N 2 0 305.426 0.856 10 0 DCAERP CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000633613961 417463521 /nfs/dbraw/zinc/46/35/21/417463521.db2.gz IXWXKTGRCADSIN-DZGCQCFKSA-N 2 0 312.458 0.386 10 0 DCAERP O=C([C@H]1C[NH2+]CCOC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649268404 418215922 /nfs/dbraw/zinc/21/59/22/418215922.db2.gz BGUVQZRVUYFZTR-KRWDZBQOSA-N 2 0 317.433 0.957 10 0 DCAERP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CCOC1 ZINC000363990448 262138318 /nfs/dbraw/zinc/13/83/18/262138318.db2.gz JBYLLDSNQAKRJN-AWEZNQCLSA-N 2 0 307.442 0.749 10 0 DCAERP CC1(C)C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH3+] ZINC000261732407 278334616 /nfs/dbraw/zinc/33/46/16/278334616.db2.gz LIHVJPPEFWTDKR-QWHCGFSZSA-N 2 0 303.472 0.717 10 0 DCAERP CC1CC[NH+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000556085372 288369435 /nfs/dbraw/zinc/36/94/35/288369435.db2.gz VRXDYOQAEUCBMH-UHFFFAOYSA-N 2 0 312.458 0.245 10 0 DCAERP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262115657 545979659 /nfs/dbraw/zinc/97/96/59/545979659.db2.gz FPUWOYUNIQUAGQ-OAGGEKHMSA-N 2 0 305.422 0.766 10 0 DCAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090592 662054695 /nfs/dbraw/zinc/05/46/95/662054695.db2.gz UTJIZNJLMFRHBQ-QZTJIDSGSA-N 2 0 324.513 0.713 10 0 DCAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1)[NH2+]2 ZINC000709312046 667444927 /nfs/dbraw/zinc/44/49/27/667444927.db2.gz HKPKCHKOTJUTNS-CABNGKKXSA-N 2 0 301.456 0.529 10 0 DCAERP CC[NH+]1CCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000261932308 685189033 /nfs/dbraw/zinc/18/90/33/685189033.db2.gz LLXQDINTTNUSDZ-UHFFFAOYSA-N 2 0 302.422 0.778 10 0 DCAERP O=S(=O)(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152100 774151758 /nfs/dbraw/zinc/15/17/58/774151758.db2.gz HQAHXTGQXIBGGT-AWEZNQCLSA-N 2 0 309.435 0.542 10 0 DCAERP O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000405149849 774151818 /nfs/dbraw/zinc/15/18/18/774151818.db2.gz AEUXYDHGDRRCJY-CQSZACIVSA-N 2 0 309.435 0.542 10 0 DCAERP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236946549 202086982 /nfs/dbraw/zinc/08/69/82/202086982.db2.gz ZDWWCXFBUFGPNI-PMPSAXMXSA-N 2 0 308.470 0.661 10 0 DCAERP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246735034 533018762 /nfs/dbraw/zinc/01/87/62/533018762.db2.gz YPJHRZWPTXCHPD-GDBMZVCRSA-N 2 0 320.437 0.644 10 0 DCAERP Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000194696431 395804554 /nfs/dbraw/zinc/80/45/54/395804554.db2.gz GXHSXGCWWQQNMA-HNNXBMFYSA-N 2 0 319.453 0.843 10 0 DCAERP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000195519114 395830916 /nfs/dbraw/zinc/83/09/16/395830916.db2.gz ITAAQMQPNAQLNM-UHFFFAOYSA-N 2 0 312.458 0.291 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033906 395850775 /nfs/dbraw/zinc/85/07/75/395850775.db2.gz XAXUAUGEYIDPPU-HIFRSBDPSA-N 2 0 310.442 0.443 10 0 DCAERP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCN(C)CC1 ZINC000245713684 395935081 /nfs/dbraw/zinc/93/50/81/395935081.db2.gz ZXEGTJHHRNIGOI-KFWWJZLASA-N 2 0 323.437 0.567 10 0 DCAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169789570 396093586 /nfs/dbraw/zinc/09/35/86/396093586.db2.gz MWUIRNRDQDACNO-OAHLLOKOSA-N 2 0 312.454 0.818 10 0 DCAERP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584734925 396619981 /nfs/dbraw/zinc/61/99/81/396619981.db2.gz LZZJTCFARWJHPD-UHFFFAOYSA-N 2 0 312.458 0.245 10 0 DCAERP CC[C@@](C)(O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000123543532 158232044 /nfs/dbraw/zinc/23/20/44/158232044.db2.gz HEWYDQGANNGFBK-IAGOWNOFSA-N 2 0 313.486 0.874 10 0 DCAERP CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000408106583 160037182 /nfs/dbraw/zinc/03/71/82/160037182.db2.gz TYCFPKRADXWHRQ-KBPBESRZSA-N 2 0 312.458 0.567 10 0 DCAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000131898050 287002553 /nfs/dbraw/zinc/00/25/53/287002553.db2.gz OGJHBQZJMMZFIW-ZBCRRDGASA-N 2 0 314.474 0.719 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000245517711 287070154 /nfs/dbraw/zinc/07/01/54/287070154.db2.gz ROUZUDNXANSHKA-KBPBESRZSA-N 2 0 305.488 0.978 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000245517713 287070195 /nfs/dbraw/zinc/07/01/95/287070195.db2.gz ROUZUDNXANSHKA-UONOGXRCSA-N 2 0 305.488 0.978 10 0 DCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879658 287088564 /nfs/dbraw/zinc/08/85/64/287088564.db2.gz FTNLQCQRRIPUAW-KBXIAJHMSA-N 2 0 324.469 0.548 10 0 DCAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000247292602 287092468 /nfs/dbraw/zinc/09/24/68/287092468.db2.gz KWQBCYIBYSNVMW-ILXRZTDVSA-N 2 0 324.469 0.241 10 0 DCAERP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333611596 415694607 /nfs/dbraw/zinc/69/46/07/415694607.db2.gz SAOXBHBFOIRUNZ-CQSZACIVSA-N 2 0 312.458 0.881 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000111857335 415698615 /nfs/dbraw/zinc/69/86/15/415698615.db2.gz NDNBZMNQVIPJRS-HNNXBMFYSA-N 2 0 312.458 0.738 10 0 DCAERP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358186397 416207981 /nfs/dbraw/zinc/20/79/81/416207981.db2.gz JAJBTLTXBOIDTF-HNNXBMFYSA-N 2 0 310.442 0.658 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261816194 416335795 /nfs/dbraw/zinc/33/57/95/416335795.db2.gz AFIGBZMUESRWFA-WOSRLPQWSA-N 2 0 313.442 0.213 10 0 DCAERP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000638109472 417335193 /nfs/dbraw/zinc/33/51/93/417335193.db2.gz VOJYHKRERLDNEN-SJORKVTESA-N 2 0 316.449 0.752 10 0 DCAERP CC[NH+]1CCC(CC[NH2+]Cc2cn(CC(=O)OC)nn2)CC1 ZINC000449172618 271843855 /nfs/dbraw/zinc/84/38/55/271843855.db2.gz VXPFFDKWHJPCRC-UHFFFAOYSA-N 2 0 309.414 0.663 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NCC[NH2+]C3CC3)ccn2)CC1 ZINC000151575919 545818706 /nfs/dbraw/zinc/81/87/06/545818706.db2.gz WILPNUGVWSMYET-UHFFFAOYSA-N 2 0 303.410 0.315 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262365917 545984480 /nfs/dbraw/zinc/98/44/80/545984480.db2.gz VQZLGLNEHZJDOD-JKSUJKDBSA-N 2 0 303.406 0.593 10 0 DCAERP C[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000725272101 548750181 /nfs/dbraw/zinc/75/01/81/548750181.db2.gz MLHKMAOZCUZOON-PWSUYJOCSA-N 2 0 311.455 0.614 10 0 DCAERP CO[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCS(=O)(=O)C1 ZINC000721257509 663091054 /nfs/dbraw/zinc/09/10/54/663091054.db2.gz DDWIWOQNGWTFEK-DGAVXFQQSA-N 2 0 302.440 0.168 10 0 DCAERP CN(CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386896741 685250905 /nfs/dbraw/zinc/25/09/05/685250905.db2.gz OGAZDXVAEXUQOG-HNNXBMFYSA-N 2 0 311.451 0.790 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333889027 282098898 /nfs/dbraw/zinc/09/88/98/282098898.db2.gz GMVGSMKYMRTPHH-HNNXBMFYSA-N 2 0 311.474 0.454 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCSC1 ZINC000261901808 282230129 /nfs/dbraw/zinc/23/01/29/282230129.db2.gz WNRIROSBOSRODA-GXTWGEPZSA-N 2 0 301.456 0.294 10 0 DCAERP CN1CCN(C(=O)CC2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178980471 282891783 /nfs/dbraw/zinc/89/17/83/282891783.db2.gz AJOYAOAJTSUFHL-UHFFFAOYSA-N 2 0 322.497 0.862 10 0 DCAERP CN(C)C(=O)[C@H]1CCCN1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000157377806 291228328 /nfs/dbraw/zinc/22/83/28/291228328.db2.gz HYWMOMGXWNGUJP-GASCZTMLSA-N 2 0 324.469 0.482 10 0 DCAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000019995063 182175590 /nfs/dbraw/zinc/17/55/90/182175590.db2.gz AVDVXQRPPHLLMX-OLZOCXBDSA-N 2 0 321.487 0.375 10 0 DCAERP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119679264 195015574 /nfs/dbraw/zinc/01/55/74/195015574.db2.gz KJDMMCVLIRMANV-AWEZNQCLSA-N 2 0 305.488 0.236 10 0 DCAERP CC(C)NC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519269 395831847 /nfs/dbraw/zinc/83/18/47/395831847.db2.gz VJOIHMDVAQZTBI-UHFFFAOYSA-N 2 0 312.458 0.291 10 0 DCAERP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246864874 395959537 /nfs/dbraw/zinc/95/95/37/395959537.db2.gz PUMURBLSIDVRSL-DJIMGWMZSA-N 2 0 321.465 0.918 10 0 DCAERP C[C@H](CN1CCOCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247530498 395975710 /nfs/dbraw/zinc/97/57/10/395975710.db2.gz XLRFJYIGQFFMLV-ILXRZTDVSA-N 2 0 310.442 0.585 10 0 DCAERP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000247599798 395976682 /nfs/dbraw/zinc/97/66/82/395976682.db2.gz UERSJSXEJMAMJS-OAGGEKHMSA-N 2 0 324.469 0.975 10 0 DCAERP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247658081 395977306 /nfs/dbraw/zinc/97/73/06/395977306.db2.gz ZAIUQPGQNXJTGP-GJZGRUSLSA-N 2 0 309.458 0.112 10 0 DCAERP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261984673 396087381 /nfs/dbraw/zinc/08/73/81/396087381.db2.gz CHWXCCVAQSSUQA-RHSMWYFYSA-N 2 0 311.470 0.975 10 0 DCAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000262015347 396090052 /nfs/dbraw/zinc/09/00/52/396090052.db2.gz WWAILRIOPUOBIX-ZDUSSCGKSA-N 2 0 310.442 0.222 10 0 DCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262636337 396166222 /nfs/dbraw/zinc/16/62/22/396166222.db2.gz HTAQQUSKQPVSIU-AWEZNQCLSA-N 2 0 304.438 0.901 10 0 DCAERP [NH3+]CCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262664807 396170130 /nfs/dbraw/zinc/17/01/30/396170130.db2.gz IWRFRMDHGFOTHG-UHFFFAOYSA-N 2 0 304.394 0.800 10 0 DCAERP O=C1C[C@H]([NH2+][C@@H]2CCCSC2)CN1CCN1CCOCC1 ZINC000183610042 396271786 /nfs/dbraw/zinc/27/17/86/396271786.db2.gz WCXSUNSFYDEEQJ-KGLIPLIRSA-N 2 0 313.467 0.405 10 0 DCAERP C[NH+]1CCN(Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)CC1 ZINC000263345024 396214748 /nfs/dbraw/zinc/21/47/48/396214748.db2.gz YUHYPFBGCPJWOW-UHFFFAOYSA-N 2 0 302.422 0.270 10 0 DCAERP Nc1nc(-n2cccn2)cc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000179886915 396229747 /nfs/dbraw/zinc/22/97/47/396229747.db2.gz SKDKYGKGFYKXDI-GFCCVEGCSA-N 2 0 317.397 0.503 10 0 DCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333928413 396935699 /nfs/dbraw/zinc/93/56/99/396935699.db2.gz XGRQLZOBKVCMKS-LYYZXLFJSA-N 2 0 324.469 0.471 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000114456488 158153090 /nfs/dbraw/zinc/15/30/90/158153090.db2.gz ZTVLZGMONLOGEC-KBPBESRZSA-N 2 0 324.469 0.561 10 0 DCAERP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CC[NH+](C)CC1 ZINC000183570859 286875184 /nfs/dbraw/zinc/87/51/84/286875184.db2.gz BCKCTPZDWZFFEV-ZDUSSCGKSA-N 2 0 305.426 0.513 10 0 DCAERP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000245540311 287070431 /nfs/dbraw/zinc/07/04/31/287070431.db2.gz KAVDXRNBKNEWKP-RRFJBIMHSA-N 2 0 322.453 0.093 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000246446069 287083749 /nfs/dbraw/zinc/08/37/49/287083749.db2.gz NWSGOMCEUHGQGR-LSDHHAIUSA-N 2 0 314.474 0.936 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247775196 287095224 /nfs/dbraw/zinc/09/52/24/287095224.db2.gz QJAUTGJDSOGNFX-CABCVRRESA-N 2 0 311.474 0.406 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000333142776 415569695 /nfs/dbraw/zinc/56/96/95/415569695.db2.gz DGALGQMZIOVIRJ-CABCVRRESA-N 2 0 312.458 0.866 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000153601379 415984721 /nfs/dbraw/zinc/98/47/21/415984721.db2.gz AYAQZAARJATECF-ZBFHGGJFSA-N 2 0 324.469 0.833 10 0 DCAERP CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060392 /nfs/dbraw/zinc/06/03/92/416060392.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 0 310.442 0.092 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)NCc1cccnc1N(C)C ZINC000175079835 416095922 /nfs/dbraw/zinc/09/59/22/416095922.db2.gz FFPZAYYOYDEWLC-UHFFFAOYSA-N 2 0 323.441 0.915 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178263147 416160690 /nfs/dbraw/zinc/16/06/90/416160690.db2.gz PYUOQUVCSOPKDP-VNHYZAJKSA-N 2 0 317.499 0.976 10 0 DCAERP CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643774024 417348234 /nfs/dbraw/zinc/34/82/34/417348234.db2.gz FQJJZYOFXIOLDA-SJORKVTESA-N 2 0 317.433 0.955 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638274384 417400517 /nfs/dbraw/zinc/40/05/17/417400517.db2.gz HTQJKUPGKYBKJB-JKSUJKDBSA-N 2 0 304.438 0.608 10 0 DCAERP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000187379967 261124136 /nfs/dbraw/zinc/12/41/36/261124136.db2.gz WILQVDVBERHFFH-OAHLLOKOSA-N 2 0 314.474 0.720 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000263108276 280274505 /nfs/dbraw/zinc/27/45/05/280274505.db2.gz DFMQYIDNYFJNBF-YDHLFZDLSA-N 2 0 312.458 0.465 10 0 DCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000333727157 294610481 /nfs/dbraw/zinc/61/04/81/294610481.db2.gz VONQMPKUHHIRDE-YHUYYLMFSA-N 2 0 324.469 0.879 10 0 DCAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@@H]1C(C)C ZINC000888097307 661176335 /nfs/dbraw/zinc/17/63/35/661176335.db2.gz HCWGWTZUZRMNHI-WCVJEAGWSA-N 2 0 307.442 0.775 10 0 DCAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@@H]1C(C)C ZINC000888097305 661176447 /nfs/dbraw/zinc/17/64/47/661176447.db2.gz HCWGWTZUZRMNHI-LVQVYYBASA-N 2 0 307.442 0.775 10 0 DCAERP CCOc1ccccc1OCCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261808222 661710675 /nfs/dbraw/zinc/71/06/75/661710675.db2.gz VNAPENWJAQHYIS-UHFFFAOYSA-N 2 0 321.421 0.828 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236840666 202033710 /nfs/dbraw/zinc/03/37/10/202033710.db2.gz VUCMVBWSZPQXFA-KBPBESRZSA-N 2 0 310.442 0.126 10 0 DCAERP CNCC(=O)C[NH2+]CCCCCCCC[NH2+]CC(=O)CNC ZINC000026489814 182442948 /nfs/dbraw/zinc/44/29/48/182442948.db2.gz OSMJTHRJOVJSPU-UHFFFAOYSA-N 2 0 314.474 0.083 10 0 DCAERP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+](C)C1CC1 ZINC000105267469 194090477 /nfs/dbraw/zinc/09/04/77/194090477.db2.gz VJMWESOKVLFJTK-HIFRSBDPSA-N 2 0 312.458 0.615 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171908498 285021278 /nfs/dbraw/zinc/02/12/78/285021278.db2.gz YYTZRPKWUMVGAI-MRXNPFEDSA-N 2 0 324.469 0.977 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171908291 285033419 /nfs/dbraw/zinc/03/34/19/285033419.db2.gz LCBHCPFVVGGJBR-LSDHHAIUSA-N 2 0 310.442 0.587 10 0 DCAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283420 395772925 /nfs/dbraw/zinc/77/29/25/395772925.db2.gz FOHKFAIIQUIRNO-CHWSQXEVSA-N 2 0 322.453 0.315 10 0 DCAERP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000122171723 395886472 /nfs/dbraw/zinc/88/64/72/395886472.db2.gz KAVDXRNBKNEWKP-KKUMJFAQSA-N 2 0 322.453 0.093 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246755598 395957184 /nfs/dbraw/zinc/95/71/84/395957184.db2.gz AHSDHNYZPJZMQT-OAGGEKHMSA-N 2 0 324.469 0.975 10 0 DCAERP C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247530518 395976174 /nfs/dbraw/zinc/97/61/74/395976174.db2.gz XLRFJYIGQFFMLV-RBSFLKMASA-N 2 0 310.442 0.585 10 0 DCAERP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261984669 396087660 /nfs/dbraw/zinc/08/76/60/396087660.db2.gz CHWXCCVAQSSUQA-PBHICJAKSA-N 2 0 311.470 0.975 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262240177 396114413 /nfs/dbraw/zinc/11/44/13/396114413.db2.gz KUYCNBSRBWXTEG-GVDBMIGSSA-N 2 0 317.433 0.738 10 0 DCAERP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262363577 396130048 /nfs/dbraw/zinc/13/00/48/396130048.db2.gz VJQFOYSJDUJNGQ-IMJJTQAJSA-N 2 0 319.453 0.571 10 0 DCAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000173914145 396136076 /nfs/dbraw/zinc/13/60/76/396136076.db2.gz MBNYTDSAUPIHTF-CABCVRRESA-N 2 0 311.474 0.215 10 0 DCAERP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000261927699 396080455 /nfs/dbraw/zinc/08/04/55/396080455.db2.gz ZPCYIKVVLOVZOH-IYBDPMFKSA-N 2 0 308.470 0.472 10 0 DCAERP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662577 396170139 /nfs/dbraw/zinc/17/01/39/396170139.db2.gz ZDWWCXFBUFGPNI-XHSDSOJGSA-N 2 0 308.470 0.661 10 0 DCAERP Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263286148 396211372 /nfs/dbraw/zinc/21/13/72/396211372.db2.gz VANDCXBASHLYFE-ZFWWWQNUSA-N 2 0 301.394 0.554 10 0 DCAERP CC(C)[NH2+]CCN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000193437931 396451440 /nfs/dbraw/zinc/45/14/40/396451440.db2.gz YMNMGUGCFMEDDZ-KRWDZBQOSA-N 2 0 312.502 0.711 10 0 DCAERP CC[NH+](CC)CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000096780321 158124404 /nfs/dbraw/zinc/12/44/04/158124404.db2.gz IXBQNSXFYPIRJG-UHFFFAOYSA-N 2 0 319.453 0.905 10 0 DCAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117034389 158169744 /nfs/dbraw/zinc/16/97/44/158169744.db2.gz QBBKVAMZYZODLZ-GJZGRUSLSA-N 2 0 314.474 0.935 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901094 158387621 /nfs/dbraw/zinc/38/76/21/158387621.db2.gz ZIDMGUNGKOFHRZ-HNNXBMFYSA-N 2 0 310.442 0.588 10 0 DCAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000172248040 158391862 /nfs/dbraw/zinc/39/18/62/158391862.db2.gz YDDOESBNPQZOHR-MRXNPFEDSA-N 2 0 308.470 0.755 10 0 DCAERP CN1CCN(C(=O)Cc2noc(CC3CC[NH+](C)CC3)n2)CC1 ZINC000329761289 159118242 /nfs/dbraw/zinc/11/82/42/159118242.db2.gz RFIKJZUEHIJITJ-UHFFFAOYSA-N 2 0 321.425 0.270 10 0 DCAERP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408214679 160061833 /nfs/dbraw/zinc/06/18/33/160061833.db2.gz OQMKKEZZXFFUSX-KBPBESRZSA-N 2 0 319.471 0.063 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799380 415531330 /nfs/dbraw/zinc/53/13/30/415531330.db2.gz MCWPVRCDUQEYQH-XJFOESAGSA-N 2 0 303.472 0.729 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106541525 415645068 /nfs/dbraw/zinc/64/50/68/415645068.db2.gz QJAUTGJDSOGNFX-LSDHHAIUSA-N 2 0 311.474 0.406 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000111856653 415699322 /nfs/dbraw/zinc/69/93/22/415699322.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 2 0 312.458 0.879 10 0 DCAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816631 415745843 /nfs/dbraw/zinc/74/58/43/415745843.db2.gz QKOVQKRQHVUHLA-VGWMRTNUSA-N 2 0 318.421 0.406 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128944004 415903980 /nfs/dbraw/zinc/90/39/80/415903980.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 2 0 314.474 0.936 10 0 DCAERP CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173526809 416060735 /nfs/dbraw/zinc/06/07/35/416060735.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 0 312.458 0.386 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN1CCOCC1 ZINC000176131522 416120109 /nfs/dbraw/zinc/12/01/09/416120109.db2.gz XLRGOIJGQVDVDU-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178204128 416159402 /nfs/dbraw/zinc/15/94/02/416159402.db2.gz WPMCJJXVFBRJHF-CQSZACIVSA-N 2 0 324.469 0.291 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192591415 416308139 /nfs/dbraw/zinc/30/81/39/416308139.db2.gz TYZDBWCUSJTSOT-CQSZACIVSA-N 2 0 301.456 0.582 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000111836839 276177405 /nfs/dbraw/zinc/17/74/05/276177405.db2.gz DNQYYWNJAVKHRX-GJZGRUSLSA-N 2 0 312.458 0.881 10 0 DCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247039824 279270017 /nfs/dbraw/zinc/27/00/17/279270017.db2.gz IWMZELHDAHVBNB-CABCVRRESA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000117029050 289198130 /nfs/dbraw/zinc/19/81/30/289198130.db2.gz JZKXZORBJNKXIM-OAHLLOKOSA-N 2 0 310.442 0.585 10 0 DCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000342084245 290100308 /nfs/dbraw/zinc/10/03/08/290100308.db2.gz BDJVEVIUTPOJSC-BYNSBNAKSA-N 2 0 312.458 0.566 10 0 DCAERP C[NH2+]C[C@H](O)C[C@@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000536954910 337868474 /nfs/dbraw/zinc/86/84/74/337868474.db2.gz MYVSRTIEVNIYIY-IUODEOHRSA-N 2 0 301.431 0.933 10 0 DCAERP CN(C(=O)[C@@H](N)C[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000702330218 666943046 /nfs/dbraw/zinc/94/30/46/666943046.db2.gz RBNNLRAFYIUHJW-KRWDZBQOSA-N 2 0 318.465 0.998 10 0 DCAERP C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000702398257 666944723 /nfs/dbraw/zinc/94/47/23/666944723.db2.gz XJOBYLQNYJQMFC-RDJZCZTQSA-N 2 0 318.465 0.998 10 0 DCAERP O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000405223671 774153815 /nfs/dbraw/zinc/15/38/15/774153815.db2.gz OBPVCOSSXVSAQG-UHFFFAOYSA-N 2 0 309.435 0.542 10 0 DCAERP C[C@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209213 774153889 /nfs/dbraw/zinc/15/38/89/774153889.db2.gz AYBLOKLJMPLHDX-DZGCQCFKSA-N 2 0 323.462 0.788 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117024077 284597989 /nfs/dbraw/zinc/59/79/89/284597989.db2.gz FPJLXEYTMZFKJZ-AWEZNQCLSA-N 2 0 300.447 0.690 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000333142777 252685588 /nfs/dbraw/zinc/68/55/88/252685588.db2.gz DGALGQMZIOVIRJ-HUUCEWRRSA-N 2 0 312.458 0.866 10 0 DCAERP Cn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333589174 252741371 /nfs/dbraw/zinc/74/13/71/252741371.db2.gz OVKRXJHNEKDGCE-QWHCGFSZSA-N 2 0 305.426 0.663 10 0 DCAERP NC(=O)c1ccc[n+](CCCCC[n+]2cccc(C(N)=O)c2)c1 ZINC000001955639 395681273 /nfs/dbraw/zinc/68/12/73/395681273.db2.gz PPRXEWGMLGLHAG-UHFFFAOYSA-P 2 0 314.389 0.330 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)CS(C)(=O)=O)CC1 ZINC000246408960 395949100 /nfs/dbraw/zinc/94/91/00/395949100.db2.gz BBKIBBMXHZGOGG-KBPBESRZSA-N 2 0 320.499 0.692 10 0 DCAERP CN(C)[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)c1ccco1 ZINC000246514139 395952107 /nfs/dbraw/zinc/95/21/07/395952107.db2.gz UYEBTHLLYIJYFZ-CHWSQXEVSA-N 2 0 310.398 0.512 10 0 DCAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505460 396135301 /nfs/dbraw/zinc/13/53/01/396135301.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 2 0 323.485 0.360 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000262429702 396139208 /nfs/dbraw/zinc/13/92/08/396139208.db2.gz FSLMVJTZNJKWQQ-NORZTCDRSA-N 2 0 304.394 0.758 10 0 DCAERP C[C@H]1[NH2+]CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000262789604 396182233 /nfs/dbraw/zinc/18/22/33/396182233.db2.gz MYAYKJJUNGIKQD-ZIAGYGMSSA-N 2 0 317.437 0.656 10 0 DCAERP Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471843 396224283 /nfs/dbraw/zinc/22/42/83/396224283.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 2 0 319.453 0.639 10 0 DCAERP CC[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1CCOC ZINC000188762368 396385736 /nfs/dbraw/zinc/38/57/36/396385736.db2.gz OTMBHPRYOQPSBI-LBPRGKRZSA-N 2 0 321.425 0.238 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000172117488 158391231 /nfs/dbraw/zinc/39/12/31/158391231.db2.gz ZDSDQLXEVBOKKX-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000248462684 287097738 /nfs/dbraw/zinc/09/77/38/287097738.db2.gz WPFOPOAVGMHBKD-DZGCQCFKSA-N 2 0 312.458 0.567 10 0 DCAERP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CCOC)C1CC1 ZINC000111849972 415698223 /nfs/dbraw/zinc/69/82/23/415698223.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 2 0 312.458 0.881 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000333798049 415740271 /nfs/dbraw/zinc/74/02/71/415740271.db2.gz HIMUNBZZUYSQKC-RBSFLKMASA-N 2 0 312.458 0.615 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000171896210 416042783 /nfs/dbraw/zinc/04/27/83/416042783.db2.gz VDZJQWQMQZPXQS-OAHLLOKOSA-N 2 0 312.458 0.882 10 0 DCAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000173914150 416067192 /nfs/dbraw/zinc/06/71/92/416067192.db2.gz MBNYTDSAUPIHTF-LSDHHAIUSA-N 2 0 311.474 0.215 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178887677 416175883 /nfs/dbraw/zinc/17/58/83/416175883.db2.gz GYOKDULOMWRTTN-MRXNPFEDSA-N 2 0 323.416 0.383 10 0 DCAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COC(C)(C)C ZINC000182951028 416234858 /nfs/dbraw/zinc/23/48/58/416234858.db2.gz QMOGQSKSFSUBPM-HNNXBMFYSA-N 2 0 301.475 0.732 10 0 DCAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000186706096 416258301 /nfs/dbraw/zinc/25/83/01/416258301.db2.gz YYKCRFGXAAGMPT-ZFWWWQNUSA-N 2 0 317.437 0.561 10 0 DCAERP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CC[N@H+](C)CC1 ZINC000541893968 416617211 /nfs/dbraw/zinc/61/72/11/416617211.db2.gz SFWYJHWRUQLYQD-CYBMUJFWSA-N 2 0 303.410 0.865 10 0 DCAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408071682 417137877 /nfs/dbraw/zinc/13/78/77/417137877.db2.gz OOQXAAWLIBSXPH-MGPQQGTHSA-N 2 0 303.472 0.921 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106529884 279158838 /nfs/dbraw/zinc/15/88/38/279158838.db2.gz NVJNQPGRFGGRQM-LSDHHAIUSA-N 2 0 313.490 0.652 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000333798052 280362151 /nfs/dbraw/zinc/36/21/51/280362151.db2.gz HIMUNBZZUYSQKC-SOUVJXGZSA-N 2 0 312.458 0.615 10 0 DCAERP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000117035710 289651648 /nfs/dbraw/zinc/65/16/48/289651648.db2.gz ISSFKUVPLPHHKO-CABCVRRESA-N 2 0 312.458 0.690 10 0 DCAERP C[NH2+][C@H](C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390876015 336949119 /nfs/dbraw/zinc/94/91/19/336949119.db2.gz HUCLNSSCVJDGPW-OAHLLOKOSA-N 2 0 304.438 0.528 10 0 DCAERP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333719416 546089338 /nfs/dbraw/zinc/08/93/38/546089338.db2.gz UIEIJLIJDSAMRH-LTIDMASMSA-N 2 0 314.433 0.993 10 0 DCAERP CS(=O)(=O)NC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000703006125 667029316 /nfs/dbraw/zinc/02/93/16/667029316.db2.gz JWXCTYDVCQJONO-QXMXGUDHSA-N 2 0 301.456 0.531 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCS2(=O)=O)CC1 ZINC000929556564 668703002 /nfs/dbraw/zinc/70/30/02/668703002.db2.gz XYDYLXQLANHOEX-DZGCQCFKSA-N 2 0 318.483 0.588 10 0 DCAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000405181172 774152780 /nfs/dbraw/zinc/15/27/80/774152780.db2.gz WKRHHEPGSGUAIE-AWEZNQCLSA-N 2 0 323.462 0.884 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000405181173 774152892 /nfs/dbraw/zinc/15/28/92/774152892.db2.gz WKRHHEPGSGUAIE-CQSZACIVSA-N 2 0 323.462 0.884 10 0 DCAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000129610272 282270051 /nfs/dbraw/zinc/27/00/51/282270051.db2.gz HNIWPWGNSBXMFO-KBPBESRZSA-N 2 0 312.458 0.567 10 0 DCAERP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000067981986 283418495 /nfs/dbraw/zinc/41/84/95/283418495.db2.gz PIVVOAXHNFDEQJ-HIFRSBDPSA-N 2 0 322.478 0.992 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105134372 194077524 /nfs/dbraw/zinc/07/75/24/194077524.db2.gz IDQQDMSVSSAHDS-INIZCTEOSA-N 2 0 324.469 0.979 10 0 DCAERP [NH3+]C[C@@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000238063167 395920942 /nfs/dbraw/zinc/92/09/42/395920942.db2.gz YFVVLLQMKFRUBU-QGZVFWFLSA-N 2 0 316.449 0.658 10 0 DCAERP C(CN1CC[NH+]2CCC[C@H]2C1)OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246891311 395960429 /nfs/dbraw/zinc/96/04/29/395960429.db2.gz FCIWWMPXPPAFDK-ROUUACIJSA-N 2 0 322.497 0.563 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247658074 395977347 /nfs/dbraw/zinc/97/73/47/395977347.db2.gz ZAIUQPGQNXJTGP-CABCVRRESA-N 2 0 309.458 0.112 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000262071832 396096614 /nfs/dbraw/zinc/09/66/14/396096614.db2.gz GEWZSVRHRGJAOU-YDHLFZDLSA-N 2 0 310.442 0.171 10 0 DCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881043 396075233 /nfs/dbraw/zinc/07/52/33/396075233.db2.gz UPTFUNNBDNHKCX-HOCLYGCPSA-N 2 0 309.454 0.931 10 0 DCAERP CC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200587 396205920 /nfs/dbraw/zinc/20/59/20/396205920.db2.gz IYKGHKPFNBXOJY-WMZOPIPTSA-N 2 0 318.465 0.498 10 0 DCAERP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263321872 396214441 /nfs/dbraw/zinc/21/44/41/396214441.db2.gz ROURCZCTKIKJMX-UHFFFAOYSA-N 2 0 316.449 0.530 10 0 DCAERP O=C1NCC[C@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179067512 396220321 /nfs/dbraw/zinc/22/03/21/396220321.db2.gz QWNHBUMBWDZQJC-IAGOWNOFSA-N 2 0 317.433 0.910 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185592108 396331241 /nfs/dbraw/zinc/33/12/41/396331241.db2.gz JIBIIJBGPALWNF-KFWWJZLASA-N 2 0 312.458 0.567 10 0 DCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000309731892 396757851 /nfs/dbraw/zinc/75/78/51/396757851.db2.gz PKZVPCZLWDSGNU-CQSZACIVSA-N 2 0 318.421 0.055 10 0 DCAERP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261644906 158725193 /nfs/dbraw/zinc/72/51/93/158725193.db2.gz AZIJBRWWXIHSAJ-MGPQQGTHSA-N 2 0 310.442 0.208 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000359250343 159256676 /nfs/dbraw/zinc/25/66/76/159256676.db2.gz KGWLYURPUYHGSM-HNNXBMFYSA-N 2 0 324.469 0.601 10 0 DCAERP CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000408106586 160037206 /nfs/dbraw/zinc/03/72/06/160037206.db2.gz TYCFPKRADXWHRQ-UONOGXRCSA-N 2 0 312.458 0.567 10 0 DCAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130937 287003890 /nfs/dbraw/zinc/00/38/90/287003890.db2.gz OGFFBASIDYIQJT-LSDHHAIUSA-N 2 0 317.499 0.932 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333725729 415724716 /nfs/dbraw/zinc/72/47/16/415724716.db2.gz VJICMZQVRDLOSA-CABCVRRESA-N 2 0 309.458 0.160 10 0 DCAERP CC(C)c1nccn1CCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000178971375 416178683 /nfs/dbraw/zinc/17/86/83/416178683.db2.gz ACRKDJTTZTUXJW-AWEZNQCLSA-N 2 0 305.426 0.513 10 0 DCAERP C[NH+](C)CCN1C[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516805 416256909 /nfs/dbraw/zinc/25/69/09/416256909.db2.gz IAGFAQCEAOHEOP-UONOGXRCSA-N 2 0 322.453 0.140 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000194152083 261144895 /nfs/dbraw/zinc/14/48/95/261144895.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 2 0 300.447 0.738 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@H](CO)[C@H]2C)COC1 ZINC000488742612 272050177 /nfs/dbraw/zinc/05/01/77/272050177.db2.gz FUFNFCNJIJRJDG-FPCVCCKLSA-N 2 0 312.454 0.408 10 0 DCAERP C[NH2+]CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000262008684 277266066 /nfs/dbraw/zinc/26/60/66/277266066.db2.gz WALRFDXSUUDBJY-CQSZACIVSA-N 2 0 310.442 0.032 10 0 DCAERP C[NH+](C)C1CCN(CC(O)CN2CCC([NH+](C)C)CC2)CC1 ZINC000194417496 282050852 /nfs/dbraw/zinc/05/08/52/282050852.db2.gz DAMGHBRJNWPPMQ-UHFFFAOYSA-N 2 0 312.502 0.399 10 0 DCAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000129610061 289388306 /nfs/dbraw/zinc/38/83/06/289388306.db2.gz HNIWPWGNSBXMFO-KGLIPLIRSA-N 2 0 312.458 0.567 10 0 DCAERP C[C@H]1C(=O)NCCC[NH+]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189315706 290306359 /nfs/dbraw/zinc/30/63/59/290306359.db2.gz LOISBZRSOMLXDQ-KBPBESRZSA-N 2 0 310.442 0.187 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000262320158 524046212 /nfs/dbraw/zinc/04/62/12/524046212.db2.gz REWQCNGQNALCBC-KGLIPLIRSA-N 2 0 307.442 0.427 10 0 DCAERP CC(C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000333887520 546095015 /nfs/dbraw/zinc/09/50/15/546095015.db2.gz GDWUZYPIPHFXFD-LSDHHAIUSA-N 2 0 311.474 0.262 10 0 DCAERP CC(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000066245104 685065492 /nfs/dbraw/zinc/06/54/92/685065492.db2.gz ZKYRDDZJJQTGTD-GJZGRUSLSA-N 2 0 311.474 0.342 10 0 DCAERP CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405158283 774152010 /nfs/dbraw/zinc/15/20/10/774152010.db2.gz MKUHFBLPASPRQW-HNNXBMFYSA-N 2 0 323.462 0.884 10 0 DCAERP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+](C)C1CC1 ZINC000105267472 194090488 /nfs/dbraw/zinc/09/04/88/194090488.db2.gz VJMWESOKVLFJTK-DZGCQCFKSA-N 2 0 312.458 0.615 10 0 DCAERP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCN(C)CC1 ZINC000245713687 395935435 /nfs/dbraw/zinc/93/54/35/395935435.db2.gz ZXEGTJHHRNIGOI-KKUMJFAQSA-N 2 0 323.437 0.567 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000246755583 395957070 /nfs/dbraw/zinc/95/70/70/395957070.db2.gz AHSDHNYZPJZMQT-BZUAXINKSA-N 2 0 324.469 0.975 10 0 DCAERP OCC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2CCO)CC1 ZINC000257188635 396034834 /nfs/dbraw/zinc/03/48/34/396034834.db2.gz FYEPDYDRVRMXDZ-HNNXBMFYSA-N 2 0 308.426 0.327 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000171078144 396105815 /nfs/dbraw/zinc/10/58/15/396105815.db2.gz KZVCXDSNDSMUNJ-GJZGRUSLSA-N 2 0 314.474 0.863 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262240181 396114210 /nfs/dbraw/zinc/11/42/10/396114210.db2.gz KUYCNBSRBWXTEG-YESZJQIVSA-N 2 0 317.433 0.738 10 0 DCAERP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000262367489 396130950 /nfs/dbraw/zinc/13/09/50/396130950.db2.gz LJEZERCHPHBTGB-JYJNAYRXSA-N 2 0 310.486 0.763 10 0 DCAERP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000263234399 396207552 /nfs/dbraw/zinc/20/75/52/396207552.db2.gz BKITWPBMRSPEPP-UHFFFAOYSA-N 2 0 316.449 0.924 10 0 DCAERP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cn2)CC1 ZINC000262648949 396167539 /nfs/dbraw/zinc/16/75/39/396167539.db2.gz PZNMYGHXGASJAF-HUUCEWRRSA-N 2 0 317.437 0.577 10 0 DCAERP COc1ccc(C[N@@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cc1 ZINC000263314839 396213594 /nfs/dbraw/zinc/21/35/94/396213594.db2.gz QBRQESOEQQEILQ-UHFFFAOYSA-N 2 0 303.406 0.949 10 0 DCAERP CC[NH+]1CCN(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000586756861 396662186 /nfs/dbraw/zinc/66/21/86/396662186.db2.gz NXGLIXFVDRQTQT-UHFFFAOYSA-N 2 0 322.457 0.411 10 0 DCAERP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333928414 396935666 /nfs/dbraw/zinc/93/56/66/396935666.db2.gz XGRQLZOBKVCMKS-OXGONZEZSA-N 2 0 324.469 0.471 10 0 DCAERP c1c(C[NH2+]CCCC[NH+]2CCOCC2)nnn1C[C@H]1CCOC1 ZINC000631042988 397159988 /nfs/dbraw/zinc/15/99/88/397159988.db2.gz PAJMTHIKMDIUFR-OAHLLOKOSA-N 2 0 323.441 0.517 10 0 DCAERP CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000125485336 158256751 /nfs/dbraw/zinc/25/67/51/158256751.db2.gz LASLNBXFKSTBLK-UHFFFAOYSA-N 2 0 317.437 0.657 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC000129078580 158284646 /nfs/dbraw/zinc/28/46/46/158284646.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 0 312.458 0.689 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C3CC3)CC2)C1 ZINC000171593108 158384806 /nfs/dbraw/zinc/38/48/06/158384806.db2.gz JONFVZNMFQDQOO-MRXNPFEDSA-N 2 0 324.469 0.833 10 0 DCAERP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)cn2)CC1 ZINC000262648948 158832557 /nfs/dbraw/zinc/83/25/57/158832557.db2.gz PZNMYGHXGASJAF-GJZGRUSLSA-N 2 0 317.437 0.577 10 0 DCAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355161 287081902 /nfs/dbraw/zinc/08/19/02/287081902.db2.gz PLPNSAULLQDFEM-KGLIPLIRSA-N 2 0 303.472 0.542 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000105278801 415632540 /nfs/dbraw/zinc/63/25/40/415632540.db2.gz OSDHDFMTUWFLCK-OAHLLOKOSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333947879 415769082 /nfs/dbraw/zinc/76/90/82/415769082.db2.gz VVQSGKHZZKLOLO-IHRRRGAJSA-N 2 0 312.458 0.471 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175954078 416116936 /nfs/dbraw/zinc/11/69/36/416116936.db2.gz WXKSPOBDAJHBPP-JKSUJKDBSA-N 2 0 324.469 0.834 10 0 DCAERP Nc1nc(-n2cccn2)cc(NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000179886903 416192669 /nfs/dbraw/zinc/19/26/69/416192669.db2.gz SKDKYGKGFYKXDI-LBPRGKRZSA-N 2 0 317.397 0.503 10 0 DCAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000182853325 416232688 /nfs/dbraw/zinc/23/26/88/416232688.db2.gz FFNXCQSIMVUGSI-JYJNAYRXSA-N 2 0 305.422 0.865 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000191414986 416287499 /nfs/dbraw/zinc/28/74/99/416287499.db2.gz YGLABNULMUVXSO-MRXNPFEDSA-N 2 0 310.486 0.955 10 0 DCAERP COc1ccccc1CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262264608 416336397 /nfs/dbraw/zinc/33/63/97/416336397.db2.gz XYVQCVRMYJKXFE-UHFFFAOYSA-N 2 0 305.422 0.991 10 0 DCAERP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262367029 416336680 /nfs/dbraw/zinc/33/66/80/416336680.db2.gz VUQNUYXUIRQPTE-OAHLLOKOSA-N 2 0 317.437 0.657 10 0 DCAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000237934059 416329306 /nfs/dbraw/zinc/32/93/06/416329306.db2.gz DWHHYEREKXRLMX-HUUCEWRRSA-N 2 0 322.453 0.271 10 0 DCAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071681 417135739 /nfs/dbraw/zinc/13/57/39/417135739.db2.gz OOQXAAWLIBSXPH-MCIONIFRSA-N 2 0 303.472 0.921 10 0 DCAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455653382 417614306 /nfs/dbraw/zinc/61/43/06/417614306.db2.gz AWGLRCRTEFOTDH-ZDUSSCGKSA-N 2 0 308.430 0.908 10 0 DCAERP CN(CCC[NH+]1CCCC1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000532212706 417667311 /nfs/dbraw/zinc/66/73/11/417667311.db2.gz CJDBKIZHGZGQJY-HZPDHXFCSA-N 2 0 300.443 0.961 10 0 DCAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000524370543 272565559 /nfs/dbraw/zinc/56/55/59/272565559.db2.gz RAWWMOXZPFNHGM-CVEARBPZSA-N 2 0 300.443 0.817 10 0 DCAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000580201223 333002559 /nfs/dbraw/zinc/00/25/59/333002559.db2.gz CBUTWWGEMMXACJ-HZPDHXFCSA-N 2 0 321.421 0.620 10 0 DCAERP Cn1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333622758 659778493 /nfs/dbraw/zinc/77/84/93/659778493.db2.gz UPIIMSBAIKXJIQ-GUYCJALGSA-N 2 0 317.437 0.855 10 0 DCAERP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261829389 661734610 /nfs/dbraw/zinc/73/46/10/661734610.db2.gz KVSWITFIIHWKSC-GJZGRUSLSA-N 2 0 322.453 0.189 10 0 DCAERP O=C(C[NH2+]C1CC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000154653425 665158519 /nfs/dbraw/zinc/15/85/19/665158519.db2.gz NSXRYDMMIOEZJS-MRXNPFEDSA-N 2 0 303.406 0.616 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC3CC[NH2+]CC3)ccn2)CC1 ZINC000262522401 529776510 /nfs/dbraw/zinc/77/65/10/529776510.db2.gz YEPRCIGNHLKZKH-UHFFFAOYSA-N 2 0 303.410 0.315 10 0 DCAERP C[N@H+](CCO)C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000272186010 395875695 /nfs/dbraw/zinc/87/56/95/395875695.db2.gz JUXRIIFKVUDYRG-UHFFFAOYSA-N 2 0 317.397 0.137 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247486249 395973811 /nfs/dbraw/zinc/97/38/11/395973811.db2.gz KTFJNRABFYPQEZ-GDBMZVCRSA-N 2 0 324.469 0.881 10 0 DCAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261841434 396071763 /nfs/dbraw/zinc/07/17/63/396071763.db2.gz ITKPVYVPGGETLR-UONOGXRCSA-N 2 0 324.469 0.481 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696253 396057670 /nfs/dbraw/zinc/05/76/70/396057670.db2.gz JQDZIWGWTQMNPR-JSGCOSHPSA-N 2 0 318.425 0.511 10 0 DCAERP O=c1n2ccccc2nn1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261696143 396057982 /nfs/dbraw/zinc/05/79/82/396057982.db2.gz JMZCCLLLEZUXBS-HNNXBMFYSA-N 2 0 315.421 0.960 10 0 DCAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000262015337 396090202 /nfs/dbraw/zinc/09/02/02/396090202.db2.gz WWAILRIOPUOBIX-CYBMUJFWSA-N 2 0 310.442 0.222 10 0 DCAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000262041099 396093338 /nfs/dbraw/zinc/09/33/38/396093338.db2.gz YNFMXFRSNCVQEO-YYIAUSFCSA-N 2 0 310.486 0.369 10 0 DCAERP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cn2)CC1 ZINC000262648950 396167878 /nfs/dbraw/zinc/16/78/78/396167878.db2.gz PZNMYGHXGASJAF-LSDHHAIUSA-N 2 0 317.437 0.577 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000181888368 396243224 /nfs/dbraw/zinc/24/32/24/396243224.db2.gz FZVHIWNRGPXEEH-HNNXBMFYSA-N 2 0 314.474 0.816 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185214898 396321672 /nfs/dbraw/zinc/32/16/72/396321672.db2.gz FBAFKHARGIZZBJ-HUUCEWRRSA-N 2 0 314.474 0.815 10 0 DCAERP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000332987790 396912542 /nfs/dbraw/zinc/91/25/42/396912542.db2.gz ZVBBFCTVYGNFDW-KNCOVGOOSA-N 2 0 324.469 0.708 10 0 DCAERP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000154200872 286625937 /nfs/dbraw/zinc/62/59/37/286625937.db2.gz ZYKRVXACYHFUQU-HUUCEWRRSA-N 2 0 318.483 0.636 10 0 DCAERP C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@@H+]1C1CC1 ZINC000129036903 158284730 /nfs/dbraw/zinc/28/47/30/158284730.db2.gz JCNHUCYHZRXOQL-ZFWWWQNUSA-N 2 0 324.469 0.615 10 0 DCAERP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615229 158384625 /nfs/dbraw/zinc/38/46/25/158384625.db2.gz GQQKRZHASZOBRD-GJZGRUSLSA-N 2 0 320.441 0.468 10 0 DCAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000247292614 287092597 /nfs/dbraw/zinc/09/25/97/287092597.db2.gz KWQBCYIBYSNVMW-QLFBSQMISA-N 2 0 324.469 0.241 10 0 DCAERP CN1CCO[C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000105278804 415629393 /nfs/dbraw/zinc/62/93/93/415629393.db2.gz OSDHDFMTUWFLCK-HNNXBMFYSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000333840269 415748571 /nfs/dbraw/zinc/74/85/71/415748571.db2.gz ODKBLMPRRKGAHV-ZIAGYGMSSA-N 2 0 312.458 0.615 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000173891338 416068232 /nfs/dbraw/zinc/06/82/32/416068232.db2.gz YRNYREFRUBERQN-OAHLLOKOSA-N 2 0 312.458 0.882 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000174232034 416076104 /nfs/dbraw/zinc/07/61/04/416076104.db2.gz ZGZKZPAXOPOFNF-CQSZACIVSA-N 2 0 300.447 0.738 10 0 DCAERP C[C@@H](CNC(=O)[C@@H]1CCCn2ccnc21)C[NH+]1CCN(C)CC1 ZINC000176298957 416123819 /nfs/dbraw/zinc/12/38/19/416123819.db2.gz CWKJCDGZIONOBB-LSDHHAIUSA-N 2 0 319.453 0.760 10 0 DCAERP CCNC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182572132 416226672 /nfs/dbraw/zinc/22/66/72/416226672.db2.gz ORJUUEBERHCCNC-XYPWUTKMSA-N 2 0 308.470 0.755 10 0 DCAERP CC(C)([NH3+])CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000178266749 416160588 /nfs/dbraw/zinc/16/05/88/416160588.db2.gz QNTPHSYZUUQERA-UHFFFAOYSA-N 2 0 304.438 0.658 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000245936382 416331411 /nfs/dbraw/zinc/33/14/11/416331411.db2.gz ABNNCBCQWVOVFP-HOTGVXAUSA-N 2 0 313.486 0.732 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCSC1 ZINC000360743901 416407300 /nfs/dbraw/zinc/40/73/00/416407300.db2.gz GWMXDPMHZYDIQH-HNNXBMFYSA-N 2 0 323.466 0.652 10 0 DCAERP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000583618989 416478430 /nfs/dbraw/zinc/47/84/30/416478430.db2.gz QHRRAYGRSGABAB-GJZGRUSLSA-N 2 0 321.421 0.620 10 0 DCAERP CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000633613962 417464472 /nfs/dbraw/zinc/46/44/72/417464472.db2.gz IXWXKTGRCADSIN-ZFWWWQNUSA-N 2 0 312.458 0.386 10 0 DCAERP C[NH+](C)CCn1nccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000455662891 417614611 /nfs/dbraw/zinc/61/46/11/417614611.db2.gz WOQMACMYJPJROG-UHFFFAOYSA-N 2 0 317.397 0.495 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195123090 261150546 /nfs/dbraw/zinc/15/05/46/261150546.db2.gz HGKPBTAXMOUWKC-GJZGRUSLSA-N 2 0 312.458 0.737 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@H](CO)[C@@H]2C)COC1 ZINC000488742614 272050100 /nfs/dbraw/zinc/05/01/00/272050100.db2.gz FUFNFCNJIJRJDG-SYMSYNOKSA-N 2 0 312.454 0.408 10 0 DCAERP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333364689 281759775 /nfs/dbraw/zinc/75/97/75/281759775.db2.gz LQSSGZLXRUWWCZ-GJZGRUSLSA-N 2 0 310.442 0.368 10 0 DCAERP CC1CC[NH+](CCCNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722216996 659370573 /nfs/dbraw/zinc/37/05/73/659370573.db2.gz STNMYGVYOIWGKJ-AWEZNQCLSA-N 2 0 303.472 0.780 10 0 DCAERP CCC[NH+]1CCC(N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722238927 659401024 /nfs/dbraw/zinc/40/10/24/659401024.db2.gz HUNLZKYWLUOKBO-CQSZACIVSA-N 2 0 303.472 0.874 10 0 DCAERP C[NH+]1CCN(Cc2ccc(CNC3=[NH+]CCCN3)cc2)CC1 ZINC000261747753 661610833 /nfs/dbraw/zinc/61/08/33/661610833.db2.gz JGGBUMKKFCGDIA-UHFFFAOYSA-N 2 0 301.438 0.873 10 0 DCAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000262167016 662131691 /nfs/dbraw/zinc/13/16/91/662131691.db2.gz UMXZQIIYBIRIDI-QNWHQSFQSA-N 2 0 320.380 0.914 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000262570223 662490033 /nfs/dbraw/zinc/49/00/33/662490033.db2.gz XKAMDYHNZWKCSC-ZJOBFFGXSA-N 2 0 307.438 0.826 10 0 DCAERP CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779692 664960607 /nfs/dbraw/zinc/96/06/07/664960607.db2.gz YTLQPVJFNMRBIN-GFCCVEGCSA-N 2 0 305.426 0.870 10 0 DCAERP C[NH2+]C[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000237312047 290705780 /nfs/dbraw/zinc/70/57/80/290705780.db2.gz BGEKTDVZYZURRA-HNNXBMFYSA-N 2 0 310.486 0.908 10 0 DCAERP C[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262520076 530049358 /nfs/dbraw/zinc/04/93/58/530049358.db2.gz NYUANYJAFZLQFG-JJRVBVJISA-N 2 0 309.454 0.977 10 0 DCAERP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072436389 191166575 /nfs/dbraw/zinc/16/65/75/191166575.db2.gz WRYKNIWXCJKXEV-GFCCVEGCSA-N 2 0 323.466 0.458 10 0 DCAERP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@H]([NH3+])[C@@H]3O5 ZINC000029396011 395698261 /nfs/dbraw/zinc/69/82/61/395698261.db2.gz KMVAXAKRXABEMD-NZQXGWJPSA-N 2 0 302.374 0.503 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000151452039 395986105 /nfs/dbraw/zinc/98/61/05/395986105.db2.gz BMOUVFKTVBUNKT-AWEZNQCLSA-N 2 0 312.458 0.569 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248578875 395990097 /nfs/dbraw/zinc/99/00/97/395990097.db2.gz FBAFKHARGIZZBJ-CABCVRRESA-N 2 0 314.474 0.815 10 0 DCAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000249080943 396001883 /nfs/dbraw/zinc/00/18/83/396001883.db2.gz QMQATYSCEHSYTK-NUEKZKHPSA-N 2 0 318.421 0.397 10 0 DCAERP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000154200623 396033862 /nfs/dbraw/zinc/03/38/62/396033862.db2.gz ZYKRVXACYHFUQU-LSDHHAIUSA-N 2 0 318.483 0.636 10 0 DCAERP COC(=O)c1cn([C@@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984062 396086739 /nfs/dbraw/zinc/08/67/39/396086739.db2.gz JMMIQLFHQPPHFL-DOMZBBRYSA-N 2 0 307.398 0.701 10 0 DCAERP CCN(CC)C(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261993552 396088015 /nfs/dbraw/zinc/08/80/15/396088015.db2.gz CZTVXXQUWZSRMV-UHFFFAOYSA-N 2 0 324.469 0.389 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262174914 396106825 /nfs/dbraw/zinc/10/68/25/396106825.db2.gz YTRJKDPNYRHISQ-LSDHHAIUSA-N 2 0 313.442 0.213 10 0 DCAERP CCc1ccc(CN2CCN(C(=O)[C@@H]([NH3+])COC)CC2)s1 ZINC000262228689 396113057 /nfs/dbraw/zinc/11/30/57/396113057.db2.gz GNVNMKTWTKQSOJ-AWEZNQCLSA-N 2 0 311.451 0.928 10 0 DCAERP C[NH2+]CCC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000262388406 396134245 /nfs/dbraw/zinc/13/42/45/396134245.db2.gz ZLPSZZNNJAWATR-UHFFFAOYSA-N 2 0 303.410 0.818 10 0 DCAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261881039 396074968 /nfs/dbraw/zinc/07/49/68/396074968.db2.gz UPTFUNNBDNHKCX-GOEBONIOSA-N 2 0 309.454 0.931 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572385 396156602 /nfs/dbraw/zinc/15/66/02/396156602.db2.gz XPTMFVOLYKRTID-UMPJEAMMSA-N 2 0 309.454 0.977 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188938059 396389144 /nfs/dbraw/zinc/38/91/44/396389144.db2.gz MPGFUNJHZRVXBK-VXGBXAGGSA-N 2 0 303.410 0.754 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189438535 396395487 /nfs/dbraw/zinc/39/54/87/396395487.db2.gz CCFYBFHAJPXKIW-HUUCEWRRSA-N 2 0 315.483 0.971 10 0 DCAERP C[NH2+]CCOCC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000629569044 396791102 /nfs/dbraw/zinc/79/11/02/396791102.db2.gz UMSHMGNBFVDYEE-UHFFFAOYSA-N 2 0 305.378 0.450 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309704603 396757619 /nfs/dbraw/zinc/75/76/19/396757619.db2.gz HGLXVLDYGSACCZ-HOTGVXAUSA-N 2 0 305.422 0.989 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000247486020 287094272 /nfs/dbraw/zinc/09/42/72/287094272.db2.gz KROUWOYXADONPY-HUUCEWRRSA-N 2 0 312.458 0.738 10 0 DCAERP COC[C@@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000249969655 287118661 /nfs/dbraw/zinc/11/86/61/287118661.db2.gz XLYVADKZJPVUBC-DLBZAZTESA-N 2 0 313.486 0.996 10 0 DCAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000333433365 415646587 /nfs/dbraw/zinc/64/65/87/415646587.db2.gz UZESQKHGRIOXCY-MBNYWOFBSA-N 2 0 300.472 0.721 10 0 DCAERP CC(C)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000333887519 415758830 /nfs/dbraw/zinc/75/88/30/415758830.db2.gz GDWUZYPIPHFXFD-HUUCEWRRSA-N 2 0 311.474 0.262 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000174623567 416082344 /nfs/dbraw/zinc/08/23/44/416082344.db2.gz HNEJYENOJPFXLD-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175737080 416113223 /nfs/dbraw/zinc/11/32/23/416113223.db2.gz VILYSAMYRIGLIX-HNNXBMFYSA-N 2 0 310.442 0.610 10 0 DCAERP c1cc(CN2CCN(c3nccnn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000628389636 417615916 /nfs/dbraw/zinc/61/59/16/417615916.db2.gz RSGHPRITQOHFIF-UHFFFAOYSA-N 2 0 322.376 0.775 10 0 DCAERP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000580477851 417705540 /nfs/dbraw/zinc/70/55/40/417705540.db2.gz GHNVEZPAETUUIT-WBMJQRKESA-N 2 0 307.394 0.933 10 0 DCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000309731891 274212529 /nfs/dbraw/zinc/21/25/29/274212529.db2.gz PKZVPCZLWDSGNU-AWEZNQCLSA-N 2 0 318.421 0.055 10 0 DCAERP C[NH+](C)CCOC[C@H]1Cn2nccc2CN(CC[NH+](C)C)C1 ZINC000096067258 289170891 /nfs/dbraw/zinc/17/08/91/289170891.db2.gz NITJWZFJFQLXQY-OAHLLOKOSA-N 2 0 309.458 0.455 10 0 DCAERP C[NH2+]C[C@H](O)CC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000536955273 337868467 /nfs/dbraw/zinc/86/84/67/337868467.db2.gz OPBWQGJIQHMAEH-GFCCVEGCSA-N 2 0 301.431 0.933 10 0 DCAERP CCCC[NH+]1CCC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722233778 659396144 /nfs/dbraw/zinc/39/61/44/659396144.db2.gz NSFJSENVIDSNIU-AWEZNQCLSA-N 2 0 303.472 0.922 10 0 DCAERP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000166718369 664467584 /nfs/dbraw/zinc/46/75/84/664467584.db2.gz MYXWZXVOMYAXOR-MCIONIFRSA-N 2 0 301.456 0.484 10 0 DCAERP CS(=O)(=O)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000703152971 667054149 /nfs/dbraw/zinc/05/41/49/667054149.db2.gz QZVFYUYRKZCZOT-AGUYFDCRSA-N 2 0 301.456 0.484 10 0 DCAERP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236887856 202053077 /nfs/dbraw/zinc/05/30/77/202053077.db2.gz UCZPIVRWAVHPHI-HNNXBMFYSA-N 2 0 319.453 0.967 10 0 DCAERP O=C1NCC[C@@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179067548 284893273 /nfs/dbraw/zinc/89/32/73/284893273.db2.gz QWNHBUMBWDZQJC-IRXDYDNUSA-N 2 0 317.433 0.910 10 0 DCAERP Cn1ccnc1CN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000194696451 395804677 /nfs/dbraw/zinc/80/46/77/395804677.db2.gz GXHSXGCWWQQNMA-OAHLLOKOSA-N 2 0 319.453 0.843 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237236621 395907836 /nfs/dbraw/zinc/90/78/36/395907836.db2.gz BBNASNIXWAFFBG-HNNXBMFYSA-N 2 0 317.437 0.787 10 0 DCAERP C[NH2+]C[C@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237271318 395908842 /nfs/dbraw/zinc/90/88/42/395908842.db2.gz XDDHIFNNFILSCD-OAHLLOKOSA-N 2 0 317.437 0.657 10 0 DCAERP C[C@]([NH3+])(C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000237659093 395917827 /nfs/dbraw/zinc/91/78/27/395917827.db2.gz RLMXRFMCLOOUBJ-DOTOQJQBSA-N 2 0 303.406 0.794 10 0 DCAERP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000247222208 395969907 /nfs/dbraw/zinc/96/99/07/395969907.db2.gz CBDGAWAJWLKPRG-ZNMIVQPWSA-N 2 0 310.442 0.585 10 0 DCAERP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000154200943 396033572 /nfs/dbraw/zinc/03/35/72/396033572.db2.gz ZYKRVXACYHFUQU-CABCVRRESA-N 2 0 318.483 0.636 10 0 DCAERP CN(C(=O)C[NH2+]C1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000154681617 396041409 /nfs/dbraw/zinc/04/14/09/396041409.db2.gz ZNZAOQOEZVPUKF-UHFFFAOYSA-N 2 0 305.426 0.558 10 0 DCAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000261802902 396067731 /nfs/dbraw/zinc/06/77/31/396067731.db2.gz LGLBKFZVSNTSAD-HZPDHXFCSA-N 2 0 309.454 0.947 10 0 DCAERP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000262056028 396094792 /nfs/dbraw/zinc/09/47/92/396094792.db2.gz AMUWFVYJFVYWLC-YUELXQCFSA-N 2 0 321.469 0.816 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000170859998 396099370 /nfs/dbraw/zinc/09/93/70/396099370.db2.gz FUNFSKNGJHZTKP-HUUCEWRRSA-N 2 0 324.469 0.482 10 0 DCAERP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262387110 396134326 /nfs/dbraw/zinc/13/43/26/396134326.db2.gz MFYFYLRCUQCEEP-HZPDHXFCSA-N 2 0 303.406 0.986 10 0 DCAERP CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262430614 396139176 /nfs/dbraw/zinc/13/91/76/396139176.db2.gz RPQUMKZHDQRXQH-GJZGRUSLSA-N 2 0 324.469 0.387 10 0 DCAERP O[C@@H](CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080267 396443727 /nfs/dbraw/zinc/44/37/27/396443727.db2.gz JCLQXZIPPLSQEX-QGZVFWFLSA-N 2 0 311.470 0.487 10 0 DCAERP CC[NH+]1CCC(CNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000581206723 396534887 /nfs/dbraw/zinc/53/48/87/396534887.db2.gz COYRSJLXSCEFLF-UHFFFAOYSA-N 2 0 305.426 0.947 10 0 DCAERP CC[NH+](CC)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000096781017 158124435 /nfs/dbraw/zinc/12/44/35/158124435.db2.gz RPDIBTWJHONFQZ-UHFFFAOYSA-N 2 0 319.453 0.905 10 0 DCAERP CN(C(=O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000109753473 158138440 /nfs/dbraw/zinc/13/84/40/158138440.db2.gz FIERNPGUNAUPBE-INIZCTEOSA-N 2 0 308.470 0.709 10 0 DCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117038215 158170331 /nfs/dbraw/zinc/17/03/31/158170331.db2.gz GQSZHEPGXJRJQU-LSDHHAIUSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@@H+]1C1CC1 ZINC000129037376 158284819 /nfs/dbraw/zinc/28/48/19/158284819.db2.gz JCNHUCYHZRXOQL-DZGCQCFKSA-N 2 0 324.469 0.615 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@@H+]1C1CC1 ZINC000129036663 158285022 /nfs/dbraw/zinc/28/50/22/158285022.db2.gz JCNHUCYHZRXOQL-HIFRSBDPSA-N 2 0 324.469 0.615 10 0 DCAERP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000261965096 158759504 /nfs/dbraw/zinc/75/95/04/158759504.db2.gz ASHBIBOLRIEHBH-ZDUSSCGKSA-N 2 0 324.469 0.433 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757612 287036177 /nfs/dbraw/zinc/03/61/77/287036177.db2.gz ROUZUDNXANSHKA-KGLIPLIRSA-N 2 0 305.488 0.978 10 0 DCAERP CC(C)[N@H+](C)CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107281150 415662378 /nfs/dbraw/zinc/66/23/78/415662378.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 2 0 310.486 0.955 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111836843 415696922 /nfs/dbraw/zinc/69/69/22/415696922.db2.gz ZNVUOPLSUXUDKZ-HNNXBMFYSA-N 2 0 312.458 0.474 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112286258 415710596 /nfs/dbraw/zinc/71/05/96/415710596.db2.gz NPOOKKWLZPSEOQ-OAHLLOKOSA-N 2 0 317.437 0.610 10 0 DCAERP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177486468 416145467 /nfs/dbraw/zinc/14/54/67/416145467.db2.gz FHTSVNWKQQFNLT-CQSZACIVSA-N 2 0 309.414 0.635 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000358470802 416243495 /nfs/dbraw/zinc/24/34/95/416243495.db2.gz TYKIUCZJQJYCKF-UHFFFAOYSA-N 2 0 320.441 1.218 10 0 DCAERP C[C@@H](O)CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000194690709 416324217 /nfs/dbraw/zinc/32/42/17/416324217.db2.gz PDKZIOGLKHPIGE-UONOGXRCSA-N 2 0 309.454 0.774 10 0 DCAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000238034520 416329422 /nfs/dbraw/zinc/32/94/22/416329422.db2.gz OUOBTXJZMVQBLZ-GJZGRUSLSA-N 2 0 322.453 0.271 10 0 DCAERP C[NH2+]C[C@@H](O)C[C@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000536954912 416549693 /nfs/dbraw/zinc/54/96/93/416549693.db2.gz MYVSRTIEVNIYIY-WFASDCNBSA-N 2 0 301.431 0.933 10 0 DCAERP C[C@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000535265191 416519770 /nfs/dbraw/zinc/51/97/70/416519770.db2.gz WKTAFHNFKHGGON-JSGCOSHPSA-N 2 0 303.410 0.840 10 0 DCAERP CC[NH+]1CCC([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527943344 417285753 /nfs/dbraw/zinc/28/57/53/417285753.db2.gz BKQIOGYGGMNRRZ-KRWDZBQOSA-N 2 0 311.470 0.676 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556249468 288373173 /nfs/dbraw/zinc/37/31/73/288373173.db2.gz XCDLVIHGEKSEEO-UHFFFAOYSA-N 2 0 324.469 0.387 10 0 DCAERP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000333727156 294611640 /nfs/dbraw/zinc/61/16/40/294611640.db2.gz VONQMPKUHHIRDE-VGWMRTNUSA-N 2 0 324.469 0.879 10 0 DCAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262409196 545985338 /nfs/dbraw/zinc/98/53/38/545985338.db2.gz ZDBKDWAIWFXSHX-SMDDNHRTSA-N 2 0 317.389 0.805 10 0 DCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368109 546078785 /nfs/dbraw/zinc/07/87/85/546078785.db2.gz FCWJBJCIQCYBDG-IPYPFGDCSA-N 2 0 318.425 0.369 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000708570103 667444252 /nfs/dbraw/zinc/44/42/52/667444252.db2.gz GDCHTSNDRGHILQ-OIISXLGYSA-N 2 0 318.465 0.760 10 0 DCAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1)[NH2+]2 ZINC000709312058 667444948 /nfs/dbraw/zinc/44/49/48/667444948.db2.gz HKPKCHKOTJUTNS-YXCITZCRSA-N 2 0 301.456 0.529 10 0 DCAERP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000405094991 774149104 /nfs/dbraw/zinc/14/91/04/774149104.db2.gz ADIIYVRFNWQFKD-DZGCQCFKSA-N 2 0 323.462 0.931 10 0 DCAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797445 282135941 /nfs/dbraw/zinc/13/59/41/282135941.db2.gz PLPNSAULLQDFEM-UONOGXRCSA-N 2 0 303.472 0.542 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639541 193279724 /nfs/dbraw/zinc/27/97/24/193279724.db2.gz BKKDFDBCEIPETG-OCCSQVGLSA-N 2 0 308.426 0.246 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833801 395809437 /nfs/dbraw/zinc/80/94/37/395809437.db2.gz JJXNQGVUXUZVMF-NSHDSACASA-N 2 0 312.439 0.485 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117024073 395850654 /nfs/dbraw/zinc/85/06/54/395850654.db2.gz FPJLXEYTMZFKJZ-CQSZACIVSA-N 2 0 300.447 0.690 10 0 DCAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000237047580 395901497 /nfs/dbraw/zinc/90/14/97/395901497.db2.gz MUYWQDSGXJQVFI-MELADBBJSA-N 2 0 310.442 0.125 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246574697 395953519 /nfs/dbraw/zinc/95/35/19/395953519.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 0 310.442 0.585 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC[C@H](C)O)C1 ZINC000247464173 395973947 /nfs/dbraw/zinc/97/39/47/395973947.db2.gz IQRSGDLLVDSTNV-LSDHHAIUSA-N 2 0 315.458 0.162 10 0 DCAERP Cc1cnn(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261864321 396073702 /nfs/dbraw/zinc/07/37/02/396073702.db2.gz KRJBKPUQYOJTBS-CVEARBPZSA-N 2 0 319.453 0.772 10 0 DCAERP C[N@H+](CCc1ccc2c(c1)CCO2)CC(=O)N1CC[NH2+]CC1 ZINC000261828050 396070428 /nfs/dbraw/zinc/07/04/28/396070428.db2.gz BDNQXHKGDDRTMB-UHFFFAOYSA-N 2 0 303.406 0.528 10 0 DCAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262012544 396089967 /nfs/dbraw/zinc/08/99/67/396089967.db2.gz WPEJCSQDKMWQBU-CVEARBPZSA-N 2 0 305.422 0.867 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000262119091 396100970 /nfs/dbraw/zinc/10/09/70/396100970.db2.gz FSWPGCLJJWUJQX-CUBALJKWSA-N 2 0 317.437 0.465 10 0 DCAERP O=C(C[C@@H]1COCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000262143673 396103661 /nfs/dbraw/zinc/10/36/61/396103661.db2.gz MPUZJBOILOFZEA-CQSZACIVSA-N 2 0 304.394 0.545 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262174912 396107322 /nfs/dbraw/zinc/10/73/22/396107322.db2.gz YTRJKDPNYRHISQ-HUUCEWRRSA-N 2 0 313.442 0.213 10 0 DCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241845 396114755 /nfs/dbraw/zinc/11/47/55/396114755.db2.gz KYQNNIUVPABEDH-XHSDSOJGSA-N 2 0 319.453 0.714 10 0 DCAERP CC[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CCN1CCOC ZINC000188762349 396385484 /nfs/dbraw/zinc/38/54/84/396385484.db2.gz OTMBHPRYOQPSBI-GFCCVEGCSA-N 2 0 321.425 0.238 10 0 DCAERP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cn2)CC1 ZINC000188847650 396387259 /nfs/dbraw/zinc/38/72/59/396387259.db2.gz NYPJOOJXCZRXFK-WCQYABFASA-N 2 0 307.373 0.472 10 0 DCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000189315446 396393445 /nfs/dbraw/zinc/39/34/45/396393445.db2.gz XXKMAXDKNLJTGL-UONOGXRCSA-N 2 0 322.409 0.015 10 0 DCAERP COCCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000121744346 158214344 /nfs/dbraw/zinc/21/43/44/158214344.db2.gz OXGCUWWBWFJMGF-CABCVRRESA-N 2 0 314.474 0.983 10 0 DCAERP COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123621350 158231386 /nfs/dbraw/zinc/23/13/86/158231386.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 0 314.430 0.262 10 0 DCAERP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000408070602 160028241 /nfs/dbraw/zinc/02/82/41/160028241.db2.gz JYMXAZXESLESQL-UONOGXRCSA-N 2 0 303.472 0.922 10 0 DCAERP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000262100699 287165008 /nfs/dbraw/zinc/16/50/08/287165008.db2.gz UYOLDPRRMAOWRD-NWANDNLSSA-N 2 0 313.442 0.044 10 0 DCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072956143 415419168 /nfs/dbraw/zinc/41/91/68/415419168.db2.gz VPIHVTVWVYKHIO-LSDHHAIUSA-N 2 0 324.469 0.387 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799377 415530828 /nfs/dbraw/zinc/53/08/28/415530828.db2.gz MCWPVRCDUQEYQH-SYQHCUMBSA-N 2 0 303.472 0.729 10 0 DCAERP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000105283351 415630578 /nfs/dbraw/zinc/63/05/78/415630578.db2.gz ANHOEXBSNKRTHO-OAHLLOKOSA-N 2 0 312.458 0.833 10 0 DCAERP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105282320 415631750 /nfs/dbraw/zinc/63/17/50/415631750.db2.gz HXPXFFFVYRECIW-AWEZNQCLSA-N 2 0 300.447 0.546 10 0 DCAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccccc1 ZINC000333599171 415693718 /nfs/dbraw/zinc/69/37/18/415693718.db2.gz PJMKGWTVZWRLLR-LEOABGAYSA-N 2 0 300.406 0.949 10 0 DCAERP CC1CC[NH+](CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117031885 415733061 /nfs/dbraw/zinc/73/30/61/415733061.db2.gz OJEMLXGZGZWBSR-HNNXBMFYSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333809339 415744248 /nfs/dbraw/zinc/74/42/48/415744248.db2.gz IYWJYFSIHBLFQM-KBPBESRZSA-N 2 0 312.458 0.615 10 0 DCAERP C[C@H]1C[C@@H](N(C)CC(=O)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC000123855006 415844472 /nfs/dbraw/zinc/84/44/72/415844472.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 0 310.442 0.140 10 0 DCAERP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1)[NH+](C)C ZINC000164436494 416017503 /nfs/dbraw/zinc/01/75/03/416017503.db2.gz GLFQSSBQZQHRDR-OLZOCXBDSA-N 2 0 320.441 0.944 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170826541 416033647 /nfs/dbraw/zinc/03/36/47/416033647.db2.gz KUKFNBAMSJKHMN-LSDHHAIUSA-N 2 0 312.458 0.689 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176257239 416122964 /nfs/dbraw/zinc/12/29/64/416122964.db2.gz XHZXFEFBMOWZPQ-HNNXBMFYSA-N 2 0 324.469 0.977 10 0 DCAERP C[C@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@@H+]1C ZINC000262142327 416336294 /nfs/dbraw/zinc/33/62/94/416336294.db2.gz HFQYCNLUZBALRZ-LSDHHAIUSA-N 2 0 319.453 0.903 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781201 417353710 /nfs/dbraw/zinc/35/37/10/417353710.db2.gz MGDJKXMGNCHZRT-HYVNUMGLSA-N 2 0 317.433 0.859 10 0 DCAERP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820465 277248092 /nfs/dbraw/zinc/24/80/92/277248092.db2.gz HKOATGFPDQMQIT-JKSUJKDBSA-N 2 0 300.443 0.864 10 0 DCAERP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353442952 278040865 /nfs/dbraw/zinc/04/08/65/278040865.db2.gz DOJFFEWVTZROKS-ZACQAIPSSA-N 2 0 308.470 0.613 10 0 DCAERP C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333628074 288151239 /nfs/dbraw/zinc/15/12/39/288151239.db2.gz GECMSJGRQNHFEW-IJEWVQPXSA-N 2 0 324.469 0.879 10 0 DCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000553023428 288284719 /nfs/dbraw/zinc/28/47/19/288284719.db2.gz RAPQPVYJUAZQGD-CQSZACIVSA-N 2 0 312.458 0.387 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262060701 297095501 /nfs/dbraw/zinc/09/55/01/297095501.db2.gz AVDISPJCMHHCDT-MIGQKNRLSA-N 2 0 317.437 0.418 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000192546521 304742895 /nfs/dbraw/zinc/74/28/95/304742895.db2.gz DJVXDWZNHPPFKX-HNNXBMFYSA-N 2 0 315.483 0.972 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000570950871 333171437 /nfs/dbraw/zinc/17/14/37/333171437.db2.gz KLNDLZJFSPEPOR-IPYPFGDCSA-N 2 0 320.437 0.034 10 0 DCAERP Nc1cccc2nc(N3CC[NH2+]CC3)c(N3CC[NH2+]CC3)nc12 ZINC000584639325 337379797 /nfs/dbraw/zinc/37/97/97/337379797.db2.gz PUORDVNTHLXWPG-UHFFFAOYSA-N 2 0 313.409 0.031 10 0 DCAERP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262497099 527337809 /nfs/dbraw/zinc/33/78/09/527337809.db2.gz KDAVSECSUCVWPI-GJZGRUSLSA-N 2 0 321.446 0.897 10 0 DCAERP C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2noc(CN)n2)C[C@@H](C)O1 ZINC000262146315 662112259 /nfs/dbraw/zinc/11/22/59/662112259.db2.gz FMVJWXXZAIKICI-UPJWGTAASA-N 2 0 309.414 0.602 10 0 DCAERP C[NH+](C)CCN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729650337 662906707 /nfs/dbraw/zinc/90/67/07/662906707.db2.gz ASSDYYZITLGYIV-UHFFFAOYSA-N 2 0 310.486 0.958 10 0 DCAERP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000405097293 774149779 /nfs/dbraw/zinc/14/97/79/774149779.db2.gz TWDCWYRSRNMRFD-TZMCWYRMSA-N 2 0 309.435 0.541 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000117029052 282137040 /nfs/dbraw/zinc/13/70/40/282137040.db2.gz JZKXZORBJNKXIM-HNNXBMFYSA-N 2 0 310.442 0.585 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247488047 285022031 /nfs/dbraw/zinc/02/20/31/285022031.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 2 0 310.442 0.587 10 0 DCAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048977 285196990 /nfs/dbraw/zinc/19/69/90/285196990.db2.gz IWMZELHDAHVBNB-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774909 /nfs/dbraw/zinc/77/49/09/395774909.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 2 0 316.405 0.608 10 0 DCAERP C[NH+]1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000194696849 395804423 /nfs/dbraw/zinc/80/44/23/395804423.db2.gz DUVMZDQNNDMIMT-GASCZTMLSA-N 2 0 324.469 0.578 10 0 DCAERP CC[NH+]1CCN(CC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000261652390 396052576 /nfs/dbraw/zinc/05/25/76/396052576.db2.gz DHCUJRIXSZMHRM-UHFFFAOYSA-N 2 0 318.465 0.654 10 0 DCAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261778376 396065030 /nfs/dbraw/zinc/06/50/30/396065030.db2.gz MULOIMCPTKNRBZ-ZIAGYGMSSA-N 2 0 301.431 0.213 10 0 DCAERP C[NH+](C)CCOc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261789541 396066334 /nfs/dbraw/zinc/06/63/34/396066334.db2.gz HZHZLGVBNYHDGI-UHFFFAOYSA-N 2 0 321.421 0.751 10 0 DCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000262110881 396100276 /nfs/dbraw/zinc/10/02/76/396100276.db2.gz VSNVDERLCAHIPO-QJPTWQEYSA-N 2 0 322.375 0.456 10 0 DCAERP C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000261937560 396081601 /nfs/dbraw/zinc/08/16/01/396081601.db2.gz KROWUWICOSRTCL-UHFFFAOYSA-N 2 0 304.394 0.379 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NCC[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC000262577598 396157625 /nfs/dbraw/zinc/15/76/25/396157625.db2.gz KYKSEGZMHSDDIW-AWEZNQCLSA-N 2 0 317.437 0.563 10 0 DCAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262928101 396192028 /nfs/dbraw/zinc/19/20/28/396192028.db2.gz ZYEUCRQQUYCBHS-DZGCQCFKSA-N 2 0 317.437 0.561 10 0 DCAERP O[C@H](CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080253 396443633 /nfs/dbraw/zinc/44/36/33/396443633.db2.gz JCLQXZIPPLSQEX-KRWDZBQOSA-N 2 0 311.470 0.487 10 0 DCAERP c1nnc2ccc(N3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)nn12 ZINC000629524606 396776721 /nfs/dbraw/zinc/77/67/21/396776721.db2.gz TWVIQXUJMBUBBB-WJLOJVBCSA-N 2 0 313.409 0.576 10 0 DCAERP C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150311 158207859 /nfs/dbraw/zinc/20/78/59/158207859.db2.gz LJRDVQINSVQXPE-UONOGXRCSA-N 2 0 314.474 0.935 10 0 DCAERP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000134467649 158327673 /nfs/dbraw/zinc/32/76/73/158327673.db2.gz VAMSJXKHOMQXTE-AWEZNQCLSA-N 2 0 319.453 0.972 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000165940494 158366371 /nfs/dbraw/zinc/36/63/71/158366371.db2.gz PWDOEFCHZNFNFB-ZDUSSCGKSA-N 2 0 320.441 0.725 10 0 DCAERP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262392332 158808070 /nfs/dbraw/zinc/80/80/70/158808070.db2.gz OJGHZHHERGFZEJ-OWCLPIDISA-N 2 0 321.396 0.766 10 0 DCAERP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328652047 159018000 /nfs/dbraw/zinc/01/80/00/159018000.db2.gz JVYNRMHHNGDRLA-HIFRSBDPSA-N 2 0 305.378 0.518 10 0 DCAERP COC[C@](C)(CCO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000192755638 287059893 /nfs/dbraw/zinc/05/98/93/287059893.db2.gz PEKOITBYONNDEH-INIZCTEOSA-N 2 0 301.475 0.780 10 0 DCAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000249781521 287118072 /nfs/dbraw/zinc/11/80/72/287118072.db2.gz LGQLCBQHXHJPQL-JSGCOSHPSA-N 2 0 303.472 0.588 10 0 DCAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000153601273 415984427 /nfs/dbraw/zinc/98/44/27/415984427.db2.gz AYAQZAARJATECF-GDBMZVCRSA-N 2 0 324.469 0.833 10 0 DCAERP CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000164923490 416018580 /nfs/dbraw/zinc/01/85/80/416018580.db2.gz OOFUADMZEAENIO-HOTGVXAUSA-N 2 0 317.433 0.662 10 0 DCAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170844699 416033937 /nfs/dbraw/zinc/03/39/37/416033937.db2.gz VHKZMBAKBXIATH-OAHLLOKOSA-N 2 0 318.421 0.849 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000246105985 416331636 /nfs/dbraw/zinc/33/16/36/416331636.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 2 0 312.458 0.833 10 0 DCAERP C[NH+](C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397645342 262164465 /nfs/dbraw/zinc/16/44/65/262164465.db2.gz UUWVXYRUIWYUGG-UHFFFAOYSA-N 2 0 305.422 0.691 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488720228 272049008 /nfs/dbraw/zinc/04/90/08/272049008.db2.gz PHLBBTNYUSHDHL-FPCVCCKLSA-N 2 0 300.443 0.408 10 0 DCAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261841426 278357919 /nfs/dbraw/zinc/35/79/19/278357919.db2.gz ITKPVYVPGGETLR-KBPBESRZSA-N 2 0 324.469 0.481 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261912261 279312925 /nfs/dbraw/zinc/31/29/25/279312925.db2.gz JFCULTUUFDIFLY-QBPKDAKJSA-N 2 0 310.486 0.369 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022659 279320592 /nfs/dbraw/zinc/32/05/92/279320592.db2.gz GZLXXEWVYVGKQN-AWEZNQCLSA-N 2 0 312.458 0.881 10 0 DCAERP CC1CC[NH+](CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117031883 281815719 /nfs/dbraw/zinc/81/57/19/281815719.db2.gz OJEMLXGZGZWBSR-OAHLLOKOSA-N 2 0 312.458 0.690 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565318142 288844455 /nfs/dbraw/zinc/84/44/55/288844455.db2.gz IHPWMDJTMOOGCY-UHFFFAOYSA-N 2 0 310.442 0.140 10 0 DCAERP CN1CC[NH2+]C[C@H]1[C@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584651629 337380962 /nfs/dbraw/zinc/38/09/62/337380962.db2.gz JNUFTHDWRCDGDE-SJORKVTESA-N 2 0 306.429 0.718 10 0 DCAERP C[NH2+]C[C@@H](O)CC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000536955277 337868454 /nfs/dbraw/zinc/86/84/54/337868454.db2.gz OPBWQGJIQHMAEH-LBPRGKRZSA-N 2 0 301.431 0.933 10 0 DCAERP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262365911 545984450 /nfs/dbraw/zinc/98/44/50/545984450.db2.gz VQZLGLNEHZJDOD-CVEARBPZSA-N 2 0 303.406 0.593 10 0 DCAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3nc4ccccn4c3=O)C[C@@H]21 ZINC000262353693 662344334 /nfs/dbraw/zinc/34/43/34/662344334.db2.gz VPKPGFUQOPZBAZ-HZSPNIEDSA-N 2 0 301.394 0.555 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000702388720 666946829 /nfs/dbraw/zinc/94/68/29/666946829.db2.gz AYVYWBHBARTSNN-BMFZPTHFSA-N 2 0 304.438 0.655 10 0 DCAERP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702474047 666961519 /nfs/dbraw/zinc/96/15/19/666961519.db2.gz VMYKQTLYXXKKLN-KGLIPLIRSA-N 2 0 301.456 0.199 10 0 DCAERP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000312600585 1190394180 /nfs/dbraw/zinc/39/41/80/1190394180.db2.gz DVQZHXNDTVIXOA-UHFFFAOYSA-N 2 0 303.472 0.734 10 0 DCAERP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000405094996 774149205 /nfs/dbraw/zinc/14/92/05/774149205.db2.gz ADIIYVRFNWQFKD-UKRRQHHQSA-N 2 0 323.462 0.931 10 0 DCAERP Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(Br)n1 ZINC000712495235 940858894 /nfs/dbraw/zinc/85/88/94/940858894.db2.gz FIRVKGYNDVWJDI-UHFFFAOYSA-N 2 0 305.220 0.850 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302450 282274282 /nfs/dbraw/zinc/27/42/82/282274282.db2.gz JAYLQRJPKXRNEF-OCCSQVGLSA-N 2 0 300.472 0.865 10 0 DCAERP C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000262368485 291039365 /nfs/dbraw/zinc/03/93/65/291039365.db2.gz JQXPVZGBFNCRQT-GJZGRUSLSA-N 2 0 322.453 0.141 10 0 DCAERP CN(C)C(=O)[C@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157377960 291228207 /nfs/dbraw/zinc/22/82/07/291228207.db2.gz HYWMOMGXWNGUJP-HUUCEWRRSA-N 2 0 324.469 0.482 10 0 DCAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178190628 284595737 /nfs/dbraw/zinc/59/57/37/284595737.db2.gz VPSOQRJQBKXNSX-OAHLLOKOSA-N 2 0 324.469 0.435 10 0 DCAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048981 285204347 /nfs/dbraw/zinc/20/43/47/285204347.db2.gz IWMZELHDAHVBNB-LSDHHAIUSA-N 2 0 312.458 0.833 10 0 DCAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283424 395772882 /nfs/dbraw/zinc/77/28/82/395772882.db2.gz FOHKFAIIQUIRNO-QWHCGFSZSA-N 2 0 322.453 0.315 10 0 DCAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283417 395772992 /nfs/dbraw/zinc/77/29/92/395772992.db2.gz FOHKFAIIQUIRNO-STQMWFEESA-N 2 0 322.453 0.315 10 0 DCAERP CNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000111262928 395804524 /nfs/dbraw/zinc/80/45/24/395804524.db2.gz JXBIPISQBZZDEZ-ZDUSSCGKSA-N 2 0 322.453 0.187 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833785 395809729 /nfs/dbraw/zinc/80/97/29/395809729.db2.gz JJXNQGVUXUZVMF-LLVKDONJSA-N 2 0 312.439 0.485 10 0 DCAERP C[NH+](C)CC(=O)NCCCCCCCCNC(=O)C[NH+](C)C ZINC000117232696 395851439 /nfs/dbraw/zinc/85/14/39/395851439.db2.gz BKRBEBFRUNOCCS-UHFFFAOYSA-N 2 0 314.474 0.683 10 0 DCAERP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237145309 395904291 /nfs/dbraw/zinc/90/42/91/395904291.db2.gz XDDHIFNNFILSCD-HNNXBMFYSA-N 2 0 317.437 0.657 10 0 DCAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247001506 395963796 /nfs/dbraw/zinc/96/37/96/395963796.db2.gz GQSZHEPGXJRJQU-CABCVRRESA-N 2 0 312.458 0.690 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248614414 395991398 /nfs/dbraw/zinc/99/13/98/395991398.db2.gz LPFUMDZXSRFRER-KKUMJFAQSA-N 2 0 314.474 0.813 10 0 DCAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261841430 396071850 /nfs/dbraw/zinc/07/18/50/396071850.db2.gz ITKPVYVPGGETLR-KGLIPLIRSA-N 2 0 324.469 0.481 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000252441941 396019320 /nfs/dbraw/zinc/01/93/20/396019320.db2.gz DNQYYWNJAVKHRX-HUUCEWRRSA-N 2 0 312.458 0.881 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000171204088 396111076 /nfs/dbraw/zinc/11/10/76/396111076.db2.gz OVOYKBMXPRNBKZ-UHFFFAOYSA-N 2 0 314.474 0.986 10 0 DCAERP COC[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000262460084 396142544 /nfs/dbraw/zinc/14/25/44/396142544.db2.gz ILAXFBGBTYMPGY-QGZVFWFLSA-N 2 0 309.454 0.947 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389491 396134334 /nfs/dbraw/zinc/13/43/34/396134334.db2.gz XUAQHAQCAYVSRY-HUUCEWRRSA-N 2 0 317.437 0.657 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000261960153 396084224 /nfs/dbraw/zinc/08/42/24/396084224.db2.gz PNJHWJNJFQQHQI-PMPSAXMXSA-N 2 0 319.453 0.747 10 0 DCAERP CCn1ccnc1CN(C(=O)C1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000262953160 396193991 /nfs/dbraw/zinc/19/39/91/396193991.db2.gz OZIAUJHLUFHOEW-AWEZNQCLSA-N 2 0 317.437 0.593 10 0 DCAERP O=C1C[C@@H]([NH2+][C@@H]2CCCSC2)CN1CCN1CCOCC1 ZINC000183610004 396271862 /nfs/dbraw/zinc/27/18/62/396271862.db2.gz WCXSUNSFYDEEQJ-ZIAGYGMSSA-N 2 0 313.467 0.405 10 0 DCAERP CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183626462 396272779 /nfs/dbraw/zinc/27/27/79/396272779.db2.gz VKIYHMHBRRYJRB-AWEZNQCLSA-N 2 0 319.453 0.903 10 0 DCAERP CN(CC[N@H+](C)C1CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000185149289 396319855 /nfs/dbraw/zinc/31/98/55/396319855.db2.gz OPAKFGXROPFNDE-UHFFFAOYSA-N 2 0 312.458 0.834 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000192801304 396438148 /nfs/dbraw/zinc/43/81/48/396438148.db2.gz HIHQSQWGHLIYEF-KRWDZBQOSA-N 2 0 311.470 0.894 10 0 DCAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000333749234 286362687 /nfs/dbraw/zinc/36/26/87/286362687.db2.gz YTLFNIDGBKYYEC-BPUTZDHNSA-N 2 0 318.421 0.883 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033898 158170502 /nfs/dbraw/zinc/17/05/02/158170502.db2.gz XAXUAUGEYIDPPU-DZGCQCFKSA-N 2 0 310.442 0.443 10 0 DCAERP CC[C@](C)(O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000123543318 158231576 /nfs/dbraw/zinc/23/15/76/158231576.db2.gz HEWYDQGANNGFBK-SJORKVTESA-N 2 0 313.486 0.874 10 0 DCAERP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900350 158387930 /nfs/dbraw/zinc/38/79/30/158387930.db2.gz KMPOTCJRDRUMBB-INIZCTEOSA-N 2 0 323.485 0.502 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000359250344 159256621 /nfs/dbraw/zinc/25/66/21/159256621.db2.gz KGWLYURPUYHGSM-OAHLLOKOSA-N 2 0 324.469 0.601 10 0 DCAERP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408214680 160061440 /nfs/dbraw/zinc/06/14/40/160061440.db2.gz OQMKKEZZXFFUSX-KGLIPLIRSA-N 2 0 319.471 0.063 10 0 DCAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333725730 415724883 /nfs/dbraw/zinc/72/48/83/415724883.db2.gz VJICMZQVRDLOSA-GJZGRUSLSA-N 2 0 309.458 0.160 10 0 DCAERP C[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616855 415698452 /nfs/dbraw/zinc/69/84/52/415698452.db2.gz REPCNJKZFFPOPI-VDERGJSUSA-N 2 0 324.469 0.614 10 0 DCAERP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816633 415745374 /nfs/dbraw/zinc/74/53/74/415745374.db2.gz QKOVQKRQHVUHLA-YHUYYLMFSA-N 2 0 318.421 0.406 10 0 DCAERP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000122171953 415827262 /nfs/dbraw/zinc/82/72/62/415827262.db2.gz KAVDXRNBKNEWKP-ZNMIVQPWSA-N 2 0 322.453 0.093 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000175760943 416111672 /nfs/dbraw/zinc/11/16/72/416111672.db2.gz IMCBFYXQXOANOS-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP C(CN1CC[NH+]2CCC[C@@H]2C1)OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000178664128 416168158 /nfs/dbraw/zinc/16/81/58/416168158.db2.gz FCIWWMPXPPAFDK-HDICACEKSA-N 2 0 322.497 0.563 10 0 DCAERP CC(C)c1nccn1CCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178971367 416179098 /nfs/dbraw/zinc/17/90/98/416179098.db2.gz ACRKDJTTZTUXJW-CQSZACIVSA-N 2 0 305.426 0.513 10 0 DCAERP C[C@@H]1CCCN1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545318009 416672895 /nfs/dbraw/zinc/67/28/95/416672895.db2.gz KRFDBWCGUMVNEL-CYBMUJFWSA-N 2 0 306.476 0.141 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638274379 417400655 /nfs/dbraw/zinc/40/06/55/417400655.db2.gz HTQJKUPGKYBKJB-HOTGVXAUSA-N 2 0 304.438 0.608 10 0 DCAERP C(CN1CCOCC1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240511 417556235 /nfs/dbraw/zinc/55/62/35/417556235.db2.gz MLDGLSWONFNMPP-KRWDZBQOSA-N 2 0 311.470 0.799 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638837540 417565691 /nfs/dbraw/zinc/56/56/91/417565691.db2.gz ZPDROMBBANKNPG-BMFZPTHFSA-N 2 0 305.422 0.844 10 0 DCAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397059347 262164025 /nfs/dbraw/zinc/16/40/25/262164025.db2.gz VYZSQDWVODZEIZ-UHFFFAOYSA-N 2 0 305.422 0.821 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@@H](CO)[C@H]2C)COC1 ZINC000488742615 272050199 /nfs/dbraw/zinc/05/01/99/272050199.db2.gz FUFNFCNJIJRJDG-WCVJEAGWSA-N 2 0 312.454 0.408 10 0 DCAERP CC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200584 276388653 /nfs/dbraw/zinc/38/86/53/276388653.db2.gz IYKGHKPFNBXOJY-AEFFLSMTSA-N 2 0 318.465 0.498 10 0 DCAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262789601 278092699 /nfs/dbraw/zinc/09/26/99/278092699.db2.gz MYAYKJJUNGIKQD-UONOGXRCSA-N 2 0 317.437 0.656 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000333798050 280358484 /nfs/dbraw/zinc/35/84/84/280358484.db2.gz HIMUNBZZUYSQKC-RRFJBIMHSA-N 2 0 312.458 0.615 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)C2(C[NH3+])CCOCC2)CCSC1 ZINC000262156390 289398956 /nfs/dbraw/zinc/39/89/56/289398956.db2.gz IATXKAQXNINETO-AWEZNQCLSA-N 2 0 301.456 0.295 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000570950873 333171591 /nfs/dbraw/zinc/17/15/91/333171591.db2.gz KLNDLZJFSPEPOR-UMVBOHGHSA-N 2 0 320.437 0.034 10 0 DCAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044230 522053963 /nfs/dbraw/zinc/05/39/63/522053963.db2.gz BYQGSELYXPHLEQ-ZIAGYGMSSA-N 2 0 300.447 0.689 10 0 DCAERP CCOCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175961193 528760920 /nfs/dbraw/zinc/76/09/20/528760920.db2.gz JKLJJYWTNBXOKC-AWEZNQCLSA-N 2 0 315.458 0.164 10 0 DCAERP C[NH+](C)CC1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188971424 658683219 /nfs/dbraw/zinc/68/32/19/658683219.db2.gz HLGOXPXMNZTMOZ-UHFFFAOYSA-N 2 0 305.426 0.906 10 0 DCAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929556567 664672009 /nfs/dbraw/zinc/67/20/09/664672009.db2.gz XYDYLXQLANHOEX-ZFWWWQNUSA-N 2 0 318.483 0.588 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000705322840 667304522 /nfs/dbraw/zinc/30/45/22/667304522.db2.gz APGIHGBCIXHFHI-CVEARBPZSA-N 2 0 304.438 0.656 10 0 DCAERP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000405097288 774149996 /nfs/dbraw/zinc/14/99/96/774149996.db2.gz TWDCWYRSRNMRFD-OCCSQVGLSA-N 2 0 309.435 0.541 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000116789230 282138353 /nfs/dbraw/zinc/13/83/53/282138353.db2.gz NMESUXGALDSEJF-DLBZAZTESA-N 2 0 319.449 0.948 10 0 DCAERP O=C(Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1)N1CC[NH2+]CC1 ZINC000090635903 185307786 /nfs/dbraw/zinc/30/77/86/185307786.db2.gz HKSUGBQQNNNRTC-UHFFFAOYSA-N 2 0 317.393 0.169 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368659 285033639 /nfs/dbraw/zinc/03/36/39/285033639.db2.gz DRDJLPRLCMLLDD-JKSUJKDBSA-N 2 0 324.469 0.977 10 0 DCAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103286447 395773094 /nfs/dbraw/zinc/77/30/94/395773094.db2.gz LYPXDRMPEWXHFC-HNNXBMFYSA-N 2 0 322.453 0.459 10 0 DCAERP C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000117035703 395850780 /nfs/dbraw/zinc/85/07/80/395850780.db2.gz ISSFKUVPLPHHKO-HUUCEWRRSA-N 2 0 312.458 0.690 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246972159 395962613 /nfs/dbraw/zinc/96/26/13/395962613.db2.gz GBTHDJBTOIUHOR-LSDHHAIUSA-N 2 0 314.474 0.983 10 0 DCAERP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@H](CNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067785003 396034309 /nfs/dbraw/zinc/03/43/09/396034309.db2.gz KLRMBPFDQYAZFR-MRXNPFEDSA-N 3 0 322.497 0.764 10 0 DCAERP CC[NH+]1CCN(CCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539213 396352278 /nfs/dbraw/zinc/35/22/78/396352278.db2.gz YAPFFASEMUEJSZ-OAHLLOKOSA-N 2 0 308.470 0.757 10 0 DCAERP CC(C)[NH+]1CCN(CCCN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000192736114 396436442 /nfs/dbraw/zinc/43/64/42/396436442.db2.gz DVIZCNXUISSNPC-QGZVFWFLSA-N 2 0 312.502 0.665 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC[C@@H](C)O)C1 ZINC000075781850 158062874 /nfs/dbraw/zinc/06/28/74/158062874.db2.gz IQRSGDLLVDSTNV-CABCVRRESA-N 2 0 315.458 0.162 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)O)C1 ZINC000114727997 158156038 /nfs/dbraw/zinc/15/60/38/158156038.db2.gz WAVMTLPNQXTMGX-AWEZNQCLSA-N 2 0 315.458 0.162 10 0 DCAERP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000122038266 158217061 /nfs/dbraw/zinc/21/70/61/158217061.db2.gz VOGKBAAXTNYFLM-UHFFFAOYSA-N 2 0 314.430 0.252 10 0 DCAERP COC[C@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123620795 158231962 /nfs/dbraw/zinc/23/19/62/158231962.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 0 314.430 0.262 10 0 DCAERP CCN(C)C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000130378907 158294368 /nfs/dbraw/zinc/29/43/68/158294368.db2.gz AJSMUNKYXBJRIY-INIZCTEOSA-N 2 0 310.486 0.957 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261633830 158724823 /nfs/dbraw/zinc/72/48/23/158724823.db2.gz AEICPYLLYYWRGB-UTUOFQBUSA-N 2 0 322.375 0.314 10 0 DCAERP O=C(NCCN1CC[NH2+]CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333804011 415743838 /nfs/dbraw/zinc/74/38/38/415743838.db2.gz IGNFPRPNDKDZEB-MRXNPFEDSA-N 2 0 323.485 0.552 10 0 DCAERP CC[C@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000152002137 415965877 /nfs/dbraw/zinc/96/58/77/415965877.db2.gz BPFZYTVWIZWERT-JKSUJKDBSA-N 2 0 310.486 0.955 10 0 DCAERP CN1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000177498873 416145951 /nfs/dbraw/zinc/14/59/51/416145951.db2.gz KQYOHKOPSLVEFG-ZIAGYGMSSA-N 2 0 307.398 0.388 10 0 DCAERP O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000178728455 416170093 /nfs/dbraw/zinc/17/00/93/416170093.db2.gz MLNGHSHVMYKNFF-QGZVFWFLSA-N 2 0 316.449 0.672 10 0 DCAERP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261555453 416335448 /nfs/dbraw/zinc/33/54/48/416335448.db2.gz UZKRWRXIURDEFI-HNNXBMFYSA-N 2 0 303.406 0.885 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000360169582 416376759 /nfs/dbraw/zinc/37/67/59/416376759.db2.gz FAMXMFFSKZGAPZ-UHFFFAOYSA-N 2 0 324.469 0.603 10 0 DCAERP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000547691381 416681100 /nfs/dbraw/zinc/68/11/00/416681100.db2.gz NTZJDDNDJDCIKZ-DGAVXFQQSA-N 2 0 303.410 1.277 10 0 DCAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000638109468 417335293 /nfs/dbraw/zinc/33/52/93/417335293.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 2 0 316.449 0.752 10 0 DCAERP C[NH+](C)CCN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000493211823 272175771 /nfs/dbraw/zinc/17/57/71/272175771.db2.gz SVNIUSJIRMUIPR-UHFFFAOYSA-N 2 0 308.470 0.567 10 0 DCAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261948841 282051455 /nfs/dbraw/zinc/05/14/55/282051455.db2.gz NWUPNTLXDRMUCZ-RCCFBDPRSA-N 2 0 324.513 0.759 10 0 DCAERP C[NH+](C)CCCNCCC[NH2+]CCCNCCC[NH+](C)C ZINC000033610839 289117247 /nfs/dbraw/zinc/11/72/47/289117247.db2.gz JSLHZPPSKXAHBR-UHFFFAOYSA-N 3 0 301.523 0.439 10 0 DCAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000129610710 289325999 /nfs/dbraw/zinc/32/59/99/289325999.db2.gz HNIWPWGNSBXMFO-UONOGXRCSA-N 2 0 312.458 0.567 10 0 DCAERP C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000725272099 548750087 /nfs/dbraw/zinc/75/00/87/548750087.db2.gz MLHKMAOZCUZOON-CMPLNLGQSA-N 2 0 311.455 0.614 10 0 DCAERP C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000725272100 548750135 /nfs/dbraw/zinc/75/01/35/548750135.db2.gz MLHKMAOZCUZOON-JQWIXIFHSA-N 2 0 311.455 0.614 10 0 DCAERP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000216619126 657522441 /nfs/dbraw/zinc/52/24/41/657522441.db2.gz HUGYLBWNUBLXIY-KBPBESRZSA-N 2 0 301.456 0.628 10 0 DCAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000261675232 661385546 /nfs/dbraw/zinc/38/55/46/661385546.db2.gz GXWOXQRPOLWJAR-MRXNPFEDSA-N 2 0 305.422 0.785 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)[NH3+])cn2)CC1 ZINC000261749565 661616357 /nfs/dbraw/zinc/61/63/57/661616357.db2.gz HENHOUHABVQHSK-CYBMUJFWSA-N 2 0 305.426 0.577 10 0 DCAERP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000222913776 664393281 /nfs/dbraw/zinc/39/32/81/664393281.db2.gz HUGYLBWNUBLXIY-KGLIPLIRSA-N 2 0 301.456 0.628 10 0 DCAERP C[C@@]12CN(C(=O)COCC[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069246 666909522 /nfs/dbraw/zinc/90/95/22/666909522.db2.gz IJNURIUKEUWNAZ-FUHWJXTLSA-N 2 0 317.433 0.942 10 0 DCAERP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702411574 666954805 /nfs/dbraw/zinc/95/48/05/666954805.db2.gz WNIKQYHKTVIVFT-CVEARBPZSA-N 2 0 304.438 0.608 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000708570104 667444259 /nfs/dbraw/zinc/44/42/59/667444259.db2.gz GDCHTSNDRGHILQ-PVAVHDDUSA-N 2 0 318.465 0.760 10 0 DCAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405182521 774153058 /nfs/dbraw/zinc/15/30/58/774153058.db2.gz XWZZHIYTTRGSLX-OAHLLOKOSA-N 2 0 323.462 0.742 10 0 DCAERP CN1N=[O+]C(=O)C1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000083250912 192370114 /nfs/dbraw/zinc/37/01/14/192370114.db2.gz GXAYMNNXYNDVKG-UHFFFAOYSA-O 2 0 303.386 0.959 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000237000483 202117434 /nfs/dbraw/zinc/11/74/34/202117434.db2.gz HRRRNQLIHKAJNI-OAHLLOKOSA-N 2 0 317.437 0.592 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]cc2C(N)=O)CC1 ZINC000302011788 533666071 /nfs/dbraw/zinc/66/60/71/533666071.db2.gz CRPPUNVNHLORFQ-GFCCVEGCSA-N 2 0 306.410 0.710 10 0 DCAERP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238149230 395922520 /nfs/dbraw/zinc/92/25/20/395922520.db2.gz ZACVKDIQMQRODG-KBMXLJTQSA-N 2 0 309.454 0.870 10 0 DCAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245905687 395938495 /nfs/dbraw/zinc/93/84/95/395938495.db2.gz FFNXCQSIMVUGSI-OAGGEKHMSA-N 2 0 305.422 0.865 10 0 DCAERP CCCNC(=O)CN(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261980915 396086769 /nfs/dbraw/zinc/08/67/69/396086769.db2.gz RITOPMMKERNGOF-PBWFPOADSA-N 2 0 310.442 0.186 10 0 DCAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000261989162 396087764 /nfs/dbraw/zinc/08/77/64/396087764.db2.gz CQVGPKGWZKNSQN-AWEZNQCLSA-N 2 0 310.442 0.141 10 0 DCAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371139 396132144 /nfs/dbraw/zinc/13/21/44/396132144.db2.gz WBLYZVDWSOVNDM-IMJJTQAJSA-N 2 0 319.453 0.714 10 0 DCAERP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662576 396170252 /nfs/dbraw/zinc/17/02/52/396170252.db2.gz ZDWWCXFBUFGPNI-OAGGEKHMSA-N 2 0 308.470 0.661 10 0 DCAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000184708582 396302534 /nfs/dbraw/zinc/30/25/34/396302534.db2.gz WPFOPOAVGMHBKD-HIFRSBDPSA-N 2 0 312.458 0.567 10 0 DCAERP COCC[NH2+]CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186575938 396352758 /nfs/dbraw/zinc/35/27/58/396352758.db2.gz YHXJDUALRXGBNE-MRXNPFEDSA-N 2 0 320.437 0.788 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000581838017 396586697 /nfs/dbraw/zinc/58/66/97/396586697.db2.gz SUIHZMQKJTWSDT-UHFFFAOYSA-N 2 0 312.458 0.387 10 0 DCAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309704604 396757447 /nfs/dbraw/zinc/75/74/47/396757447.db2.gz HGLXVLDYGSACCZ-HZPDHXFCSA-N 2 0 305.422 0.989 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000172117493 158390946 /nfs/dbraw/zinc/39/09/46/158390946.db2.gz ZDSDQLXEVBOKKX-HNNXBMFYSA-N 2 0 312.458 0.834 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000189654223 158554203 /nfs/dbraw/zinc/55/42/03/158554203.db2.gz YSXZMVIVSBDXFR-OAHLLOKOSA-N 2 0 315.483 0.830 10 0 DCAERP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)O1 ZINC000262045085 158767081 /nfs/dbraw/zinc/76/70/81/158767081.db2.gz QMPSNINFMZLYGD-WCVJEAGWSA-N 2 0 321.396 0.894 10 0 DCAERP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262303708 158794804 /nfs/dbraw/zinc/79/48/04/158794804.db2.gz BZBJRKKRZTWLHF-UHFFFAOYSA-N 2 0 322.453 0.047 10 0 DCAERP C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCN1C1CC[NH+](C)CC1 ZINC000329079035 159059389 /nfs/dbraw/zinc/05/93/89/159059389.db2.gz BVKLZZBKUHSTQJ-TZMCWYRMSA-N 2 0 308.426 0.732 10 0 DCAERP CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000408106587 160037050 /nfs/dbraw/zinc/03/70/50/160037050.db2.gz TYCFPKRADXWHRQ-ZIAGYGMSSA-N 2 0 312.458 0.567 10 0 DCAERP C[NH+](C)CC1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000131898281 287002561 /nfs/dbraw/zinc/00/25/61/287002561.db2.gz OGJHBQZJMMZFIW-XUJLQICISA-N 2 0 314.474 0.719 10 0 DCAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339817 287081600 /nfs/dbraw/zinc/08/16/00/287081600.db2.gz OGFFBASIDYIQJT-CABCVRRESA-N 2 0 317.499 0.932 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106915744 415657591 /nfs/dbraw/zinc/65/75/91/415657591.db2.gz KFHGSYTWNAXKPI-INIZCTEOSA-N 2 0 307.438 0.854 10 0 DCAERP C[NH+](C)[C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112286257 415711830 /nfs/dbraw/zinc/71/18/30/415711830.db2.gz NPOOKKWLZPSEOQ-HNNXBMFYSA-N 2 0 317.437 0.610 10 0 DCAERP C[NH+](C)CCn1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000177551929 416148461 /nfs/dbraw/zinc/14/84/61/416148461.db2.gz VCSOOXFCOZMEJP-CYBMUJFWSA-N 2 0 324.429 0.239 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479617 416287143 /nfs/dbraw/zinc/28/71/43/416287143.db2.gz MWXAROWNONMJJS-JKSUJKDBSA-N 2 0 310.486 0.988 10 0 DCAERP CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000262624815 416336968 /nfs/dbraw/zinc/33/69/68/416336968.db2.gz KPHXCCXXVMIULI-UHFFFAOYSA-N 2 0 309.458 0.552 10 0 DCAERP c1cncc(C[NH2+]CCCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423186334 416475464 /nfs/dbraw/zinc/47/54/64/416475464.db2.gz LAZJFGHZCARHPM-DLBZAZTESA-N 2 0 304.438 0.918 10 0 DCAERP c1nc2n(n1)[C@H](C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)CC2 ZINC000631829936 416757108 /nfs/dbraw/zinc/75/71/08/416757108.db2.gz FEKYOPIVBHKIHW-GJZGRUSLSA-N 2 0 305.426 0.856 10 0 DCAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117031910 287350422 /nfs/dbraw/zinc/35/04/22/287350422.db2.gz PQXDUBWXDOWOGE-HUUCEWRRSA-N 2 0 312.458 0.690 10 0 DCAERP CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643774022 417347507 /nfs/dbraw/zinc/34/75/07/417347507.db2.gz FQJJZYOFXIOLDA-IAGOWNOFSA-N 2 0 317.433 0.955 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](CC)CCO)CC1 ZINC000187241991 261122630 /nfs/dbraw/zinc/12/26/30/261122630.db2.gz JFRBVVOBZZTVOM-UHFFFAOYSA-N 2 0 314.474 0.722 10 0 DCAERP COCCN(CC[NH+](C)C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358654201 271063133 /nfs/dbraw/zinc/06/31/33/271063133.db2.gz VNIXEMXUIBZFRZ-UHFFFAOYSA-N 2 0 312.458 0.858 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000262409158 294300836 /nfs/dbraw/zinc/30/08/36/294300836.db2.gz ZCGMCXLKAZYJCS-ZNMIVQPWSA-N 2 0 303.410 0.030 10 0 DCAERP CN(CCCCN(C)C(=O)CCCC[NH3+])C(=O)CCCC[NH3+] ZINC000584651470 337380912 /nfs/dbraw/zinc/38/09/12/337380912.db2.gz XIHBHRVVRPNICW-UHFFFAOYSA-N 2 0 314.474 0.941 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N3CC[C@](C)(C[NH3+])C3)ccn2)CC1 ZINC000261733656 661582519 /nfs/dbraw/zinc/58/25/19/661582519.db2.gz CXGNXKDQHMHRFG-QGZVFWFLSA-N 2 0 317.437 0.644 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000262570220 662490016 /nfs/dbraw/zinc/49/00/16/662490016.db2.gz XKAMDYHNZWKCSC-SZOQZIPDSA-N 2 0 307.438 0.826 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702390985 666947742 /nfs/dbraw/zinc/94/77/42/666947742.db2.gz KNVPDXUMXYORAA-PVAVHDDUSA-N 2 0 318.465 0.902 10 0 DCAERP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000702430040 666956242 /nfs/dbraw/zinc/95/62/42/666956242.db2.gz LZLNTXMNINNFGL-IRXDYDNUSA-N 2 0 318.465 0.998 10 0 DCAERP CC(C)(C[NH3+])C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000714420033 670185877 /nfs/dbraw/zinc/18/58/77/670185877.db2.gz WRQHXXSTFJWVOH-UHFFFAOYSA-N 2 0 303.472 0.719 10 0 DCAERP COCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938357 685238056 /nfs/dbraw/zinc/23/80/56/685238056.db2.gz LDFIQVXXKAVICR-HZPDHXFCSA-N 2 0 305.422 0.989 10 0 DCAERP C[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262520055 530049447 /nfs/dbraw/zinc/04/94/47/530049447.db2.gz NYUANYJAFZLQFG-CKEIUWERSA-N 2 0 309.454 0.977 10 0 DCAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccccc1 ZINC000333599168 283052461 /nfs/dbraw/zinc/05/24/61/283052461.db2.gz PJMKGWTVZWRLLR-DGADGQDISA-N 2 0 300.406 0.949 10 0 DCAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237930990 296002009 /nfs/dbraw/zinc/00/20/09/296002009.db2.gz CAZPWSSLWIYRAJ-HOTGVXAUSA-N 2 0 321.465 0.947 10 0 DCAERP C[C@@H](CN1CCOCC1)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194661694 395803495 /nfs/dbraw/zinc/80/34/95/395803495.db2.gz SPFHODKBWUFLCS-AWEZNQCLSA-N 2 0 310.442 0.587 10 0 DCAERP [NH3+][C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000135885579 395942957 /nfs/dbraw/zinc/94/29/57/395942957.db2.gz ROSQXCOWODZPRU-XSLAGTTESA-N 2 0 300.402 0.848 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000246574712 395953566 /nfs/dbraw/zinc/95/35/66/395953566.db2.gz ZOGYMGBXCVNDRM-QLFBSQMISA-N 2 0 310.442 0.585 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247309342 395971478 /nfs/dbraw/zinc/97/14/78/395971478.db2.gz NXQDKLBXTFTMLT-PMPSAXMXSA-N 2 0 323.485 0.500 10 0 DCAERP C[NH2+][C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000150982304 395976531 /nfs/dbraw/zinc/97/65/31/395976531.db2.gz ZLGWKEYJMWIOFY-HNNXBMFYSA-N 2 0 317.437 0.657 10 0 DCAERP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)c1 ZINC000065459412 395994166 /nfs/dbraw/zinc/99/41/66/395994166.db2.gz FMNLUTXMQOBPMK-CYBMUJFWSA-N 2 0 317.393 0.676 10 0 DCAERP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000262110882 396100243 /nfs/dbraw/zinc/10/02/43/396100243.db2.gz VSNVDERLCAHIPO-TUAOUCFPSA-N 2 0 322.375 0.456 10 0 DCAERP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000262416166 396137560 /nfs/dbraw/zinc/13/75/60/396137560.db2.gz ZSGRQEBFYPFXCN-SJORKVTESA-N 2 0 317.433 0.595 10 0 DCAERP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c2)CC1 ZINC000262543035 396153019 /nfs/dbraw/zinc/15/30/19/396153019.db2.gz RLZAKSHNZZOVFS-HOTGVXAUSA-N 2 0 318.421 0.095 10 0 DCAERP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000187979391 396377240 /nfs/dbraw/zinc/37/72/40/396377240.db2.gz KJPNXFZFIPKZGU-JKSUJKDBSA-N 2 0 318.421 0.754 10 0 DCAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000117470160 158172073 /nfs/dbraw/zinc/17/20/73/158172073.db2.gz MPHCOAVXAPEVAU-OAHLLOKOSA-N 2 0 312.458 0.833 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171898694 158387439 /nfs/dbraw/zinc/38/74/39/158387439.db2.gz WLCAHEYQJVKAIQ-CVEARBPZSA-N 2 0 324.469 0.833 10 0 DCAERP CO[C@H]1C[C@@H](C(=O)N(C)Cc2cn3c(n2)CCCC3)[N@H+](C)C1 ZINC000329064585 159057260 /nfs/dbraw/zinc/05/72/60/159057260.db2.gz OPQAGWHXMXIGEF-KBPBESRZSA-N 2 0 306.410 0.897 10 0 DCAERP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000333415534 415641226 /nfs/dbraw/zinc/64/12/26/415641226.db2.gz RVFQQNIGWGPAJY-CQSZACIVSA-N 2 0 310.442 0.492 10 0 DCAERP O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333613443 415695979 /nfs/dbraw/zinc/69/59/79/415695979.db2.gz YINDCOJWUCOBSG-HUUCEWRRSA-N 2 0 310.442 0.635 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000111862673 415702172 /nfs/dbraw/zinc/70/21/72/415702172.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 2 0 312.458 0.738 10 0 DCAERP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333809342 415743646 /nfs/dbraw/zinc/74/36/46/415743646.db2.gz IYWJYFSIHBLFQM-UONOGXRCSA-N 2 0 312.458 0.615 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128943787 415904879 /nfs/dbraw/zinc/90/48/79/415904879.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 2 0 314.474 0.936 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173985897 416070788 /nfs/dbraw/zinc/07/07/88/416070788.db2.gz JVZWFGAEKFOWFM-HNNXBMFYSA-N 2 0 310.442 0.610 10 0 DCAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000174350341 416077695 /nfs/dbraw/zinc/07/76/95/416077695.db2.gz JBRQDYWLMBAHPF-GJZGRUSLSA-N 2 0 311.474 0.263 10 0 DCAERP CN1CCN(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000180480498 416196520 /nfs/dbraw/zinc/19/65/20/416196520.db2.gz VPARYJOHBZJFNS-UHFFFAOYSA-N 2 0 305.426 0.369 10 0 DCAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000262367485 416336791 /nfs/dbraw/zinc/33/67/91/416336791.db2.gz LJEZERCHPHBTGB-HRCADAONSA-N 2 0 310.486 0.763 10 0 DCAERP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262552508 416337025 /nfs/dbraw/zinc/33/70/25/416337025.db2.gz UCMBVQCETBOIFJ-HOTGVXAUSA-N 2 0 303.406 0.621 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781200 417354991 /nfs/dbraw/zinc/35/49/91/417354991.db2.gz MGDJKXMGNCHZRT-DJIMGWMZSA-N 2 0 317.433 0.859 10 0 DCAERP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643774023 417345831 /nfs/dbraw/zinc/34/58/31/417345831.db2.gz FQJJZYOFXIOLDA-IRXDYDNUSA-N 2 0 317.433 0.955 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCO[C@@H](C)C2)CC1 ZINC000191484884 261137039 /nfs/dbraw/zinc/13/70/39/261137039.db2.gz CUEXXEKXHJBHSK-CVEARBPZSA-N 2 0 313.486 0.732 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639543 276213983 /nfs/dbraw/zinc/21/39/83/276213983.db2.gz BKKDFDBCEIPETG-TZMCWYRMSA-N 2 0 308.426 0.246 10 0 DCAERP CNC(=O)c1ccn([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261944084 277019017 /nfs/dbraw/zinc/01/90/17/277019017.db2.gz FAFBNPYXSDOPSD-CZUORRHYSA-N 2 0 305.426 0.879 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)Cn2cccn2)CC1 ZINC000171631167 278395425 /nfs/dbraw/zinc/39/54/25/278395425.db2.gz KUHDWRGMZOGWOQ-ZBFHGGJFSA-N 2 0 310.442 0.269 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000562278050 288562577 /nfs/dbraw/zinc/56/25/77/288562577.db2.gz QOKZUWBXBBNDQJ-KBPBESRZSA-N 2 0 312.458 0.386 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000185398941 333208258 /nfs/dbraw/zinc/20/82/58/333208258.db2.gz DLSRGRSKRXBFTO-UHFFFAOYSA-N 2 0 300.447 0.692 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000246731714 524444414 /nfs/dbraw/zinc/44/44/14/524444414.db2.gz YJQCFGIABSAGKV-QXSJWSMHSA-N 2 0 308.470 0.659 10 0 DCAERP C[NH+](C)CCN(C1CCCC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722221266 659381989 /nfs/dbraw/zinc/38/19/89/659381989.db2.gz YZSWZSQAYLWELD-AWEZNQCLSA-N 2 0 303.472 0.874 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237237514 662113560 /nfs/dbraw/zinc/11/35/60/662113560.db2.gz TXHNJWCGZLBKCT-HUUCEWRRSA-N 2 0 317.437 0.691 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237237541 662113759 /nfs/dbraw/zinc/11/37/59/662113759.db2.gz TXHNJWCGZLBKCT-LSDHHAIUSA-N 2 0 317.437 0.691 10 0 DCAERP CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCS(=O)(=O)C1 ZINC000721257515 663091102 /nfs/dbraw/zinc/09/11/02/663091102.db2.gz DDWIWOQNGWTFEK-SYQHCUMBSA-N 2 0 302.440 0.168 10 0 DCAERP CCc1n[nH]cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779693 664960600 /nfs/dbraw/zinc/96/06/00/664960600.db2.gz YTLQPVJFNMRBIN-LBPRGKRZSA-N 2 0 305.426 0.870 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000702388724 666946540 /nfs/dbraw/zinc/94/65/40/666946540.db2.gz AYVYWBHBARTSNN-KBMXLJTQSA-N 2 0 304.438 0.655 10 0 DCAERP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000702430043 666955984 /nfs/dbraw/zinc/95/59/84/666955984.db2.gz LZLNTXMNINNFGL-SJORKVTESA-N 2 0 318.465 0.998 10 0 DCAERP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938358 685237423 /nfs/dbraw/zinc/23/74/23/685237423.db2.gz LDFIQVXXKAVICR-JKSUJKDBSA-N 2 0 305.422 0.989 10 0 DCAERP CN1CC[NH+](CCCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699797 1173831642 /nfs/dbraw/zinc/83/16/42/1173831642.db2.gz HHYSYLPLQUVTLJ-UHFFFAOYSA-N 2 0 304.438 0.903 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C[NH2+]C)cn2)CC1 ZINC000236895960 202058003 /nfs/dbraw/zinc/05/80/03/202058003.db2.gz GDAZDWBJCFJQBC-CQSZACIVSA-N 2 0 319.453 0.695 10 0 DCAERP CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236970371 202100534 /nfs/dbraw/zinc/10/05/34/202100534.db2.gz UCZPIVRWAVHPHI-OAHLLOKOSA-N 2 0 319.453 0.967 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000105174178 285264894 /nfs/dbraw/zinc/26/48/94/285264894.db2.gz BCMAMUCWNHBHIR-AWEZNQCLSA-N 2 0 300.447 0.690 10 0 DCAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245905697 395938460 /nfs/dbraw/zinc/93/84/60/395938460.db2.gz FFNXCQSIMVUGSI-XHSDSOJGSA-N 2 0 305.422 0.865 10 0 DCAERP C[C@]1(C(N)=O)CCCCN1CCC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248621979 395991572 /nfs/dbraw/zinc/99/15/72/395991572.db2.gz TWEFOBUGKRDDDR-IAGOWNOFSA-N 2 0 324.469 0.836 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249123250 396002605 /nfs/dbraw/zinc/00/26/05/396002605.db2.gz CCFYBFHAJPXKIW-CABCVRRESA-N 2 0 315.483 0.971 10 0 DCAERP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170836763 396098576 /nfs/dbraw/zinc/09/85/76/396098576.db2.gz MZMMVRDTMOWNOV-HNNXBMFYSA-N 2 0 312.458 0.833 10 0 DCAERP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262367028 396131107 /nfs/dbraw/zinc/13/11/07/396131107.db2.gz VUQNUYXUIRQPTE-HNNXBMFYSA-N 2 0 317.437 0.657 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262641567 396166842 /nfs/dbraw/zinc/16/68/42/396166842.db2.gz KXVSYHROUGFFMO-FPCVCCKLSA-N 2 0 308.470 0.659 10 0 DCAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178190641 396190964 /nfs/dbraw/zinc/19/09/64/396190964.db2.gz VPSOQRJQBKXNSX-HNNXBMFYSA-N 2 0 324.469 0.435 10 0 DCAERP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263171334 396204248 /nfs/dbraw/zinc/20/42/48/396204248.db2.gz FTRYYWDCZHPXOZ-HUUCEWRRSA-N 2 0 322.405 0.525 10 0 DCAERP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185214921 396321666 /nfs/dbraw/zinc/32/16/66/396321666.db2.gz FBAFKHARGIZZBJ-LSDHHAIUSA-N 2 0 314.474 0.815 10 0 DCAERP CN1CCC[NH+](CCCC[N@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191111849 396415724 /nfs/dbraw/zinc/41/57/24/396415724.db2.gz LIZZOPYNUAVGAN-UHFFFAOYSA-N 2 0 310.442 0.095 10 0 DCAERP C[NH+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000096666072 158123512 /nfs/dbraw/zinc/12/35/12/158123512.db2.gz NCTUVRJXELVODL-UHFFFAOYSA-N 2 0 305.426 0.515 10 0 DCAERP O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887659 158331948 /nfs/dbraw/zinc/33/19/48/158331948.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 2 0 323.481 0.628 10 0 DCAERP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000171615225 158384366 /nfs/dbraw/zinc/38/43/66/158384366.db2.gz GQQKRZHASZOBRD-CABCVRRESA-N 2 0 320.441 0.468 10 0 DCAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262366882 158805195 /nfs/dbraw/zinc/80/51/95/158805195.db2.gz VRXRBBZGPFCXHH-CFVMTHIKSA-N 2 0 307.442 0.570 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000246340406 287081492 /nfs/dbraw/zinc/08/14/92/287081492.db2.gz OJJSDLMBCRJIRS-IIAWOOMASA-N 2 0 324.469 0.758 10 0 DCAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355176 287081801 /nfs/dbraw/zinc/08/18/01/287081801.db2.gz PLPNSAULLQDFEM-ZIAGYGMSSA-N 2 0 303.472 0.542 10 0 DCAERP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088649 /nfs/dbraw/zinc/08/86/49/287088649.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 2 0 324.469 0.548 10 0 DCAERP O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333613446 415694301 /nfs/dbraw/zinc/69/43/01/415694301.db2.gz YINDCOJWUCOBSG-LSDHHAIUSA-N 2 0 310.442 0.635 10 0 DCAERP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000173939407 416069134 /nfs/dbraw/zinc/06/91/34/416069134.db2.gz NTPTYHSKLIGXDY-ZDUSSCGKSA-N 2 0 306.414 0.757 10 0 DCAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C)CC1 ZINC000178880664 416175693 /nfs/dbraw/zinc/17/56/93/416175693.db2.gz YJQCFGIABSAGKV-UGUYLWEFSA-N 2 0 308.470 0.659 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247532007 416332962 /nfs/dbraw/zinc/33/29/62/416332962.db2.gz XPMTWMYIBLRHRW-GJZGRUSLSA-N 2 0 312.458 0.833 10 0 DCAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248998076 416334206 /nfs/dbraw/zinc/33/42/06/416334206.db2.gz MPGFUNJHZRVXBK-NEPJUHHUSA-N 2 0 303.410 0.754 10 0 DCAERP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccnc(-n2ccnc2)c1 ZINC000238058975 416329835 /nfs/dbraw/zinc/32/98/35/416329835.db2.gz WXKLQYRQNGRNLV-CYBMUJFWSA-N 2 0 317.418 0.979 10 0 DCAERP c1cncc(C[NH2+]CCCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423186337 416475792 /nfs/dbraw/zinc/47/57/92/416475792.db2.gz LAZJFGHZCARHPM-IRXDYDNUSA-N 2 0 304.438 0.918 10 0 DCAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262540362 276161528 /nfs/dbraw/zinc/16/15/28/276161528.db2.gz QYIFJAVFXAJQJK-ABYLEIOUSA-N 2 0 307.438 0.872 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915745 277213302 /nfs/dbraw/zinc/21/33/02/277213302.db2.gz KFHGSYTWNAXKPI-MRXNPFEDSA-N 2 0 307.438 0.854 10 0 DCAERP O=S(=O)(NCC[NH+]1CCCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000584640324 337379912 /nfs/dbraw/zinc/37/99/12/337379912.db2.gz OHBYXXZQDIVKSQ-UHFFFAOYSA-N 2 0 309.435 0.706 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000262365913 545984525 /nfs/dbraw/zinc/98/45/25/545984525.db2.gz VQZLGLNEHZJDOD-HOTGVXAUSA-N 2 0 303.406 0.593 10 0 DCAERP CCC[NH+]1CCC(N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722238926 659400639 /nfs/dbraw/zinc/40/06/39/659400639.db2.gz HUNLZKYWLUOKBO-AWEZNQCLSA-N 2 0 303.472 0.874 10 0 DCAERP O=C(NC[C@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261829384 661734424 /nfs/dbraw/zinc/73/44/24/661734424.db2.gz KVSWITFIIHWKSC-CABCVRRESA-N 2 0 322.453 0.189 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702397258 666949295 /nfs/dbraw/zinc/94/92/95/666949295.db2.gz LUIGPBPHKZLMMQ-KBMXLJTQSA-N 2 0 304.438 0.512 10 0 DCAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405182520 774152744 /nfs/dbraw/zinc/15/27/44/774152744.db2.gz XWZZHIYTTRGSLX-HNNXBMFYSA-N 2 0 323.462 0.742 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105147284 194079830 /nfs/dbraw/zinc/07/98/30/194079830.db2.gz IRWZEZJOEJMHEF-OAHLLOKOSA-N 2 0 312.458 0.834 10 0 DCAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000262942520 285385126 /nfs/dbraw/zinc/38/51/26/285385126.db2.gz ADCHPSPCRWBPQT-IPYPFGDCSA-N 2 0 312.458 0.275 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000111825190 395814513 /nfs/dbraw/zinc/81/45/13/395814513.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 2 0 324.469 0.881 10 0 DCAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000236908145 395899554 /nfs/dbraw/zinc/89/95/54/395899554.db2.gz DEWKJAABUOIQDJ-HOTGVXAUSA-N 2 0 305.422 0.867 10 0 DCAERP CCN1CCN(C(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000245472858 395930409 /nfs/dbraw/zinc/93/04/09/395930409.db2.gz PLVMEURLOOSKBC-JKSUJKDBSA-N 2 0 310.486 0.955 10 0 DCAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261982930 396086728 /nfs/dbraw/zinc/08/67/28/396086728.db2.gz RSZWHRNYWAJCJF-VQHPVUNQSA-N 2 0 311.470 0.844 10 0 DCAERP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000261979035 396086884 /nfs/dbraw/zinc/08/68/84/396086884.db2.gz JARUACUQWDKXJZ-CYBMUJFWSA-N 2 0 306.410 0.915 10 0 DCAERP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262416004 396137321 /nfs/dbraw/zinc/13/73/21/396137321.db2.gz ZQCZQNBKFJNZIN-IXDOHACOSA-N 2 0 317.433 0.595 10 0 DCAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261948838 396082570 /nfs/dbraw/zinc/08/25/70/396082570.db2.gz NWUPNTLXDRMUCZ-KZNAEPCWSA-N 3 0 324.513 0.759 10 0 DCAERP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262683520 396172487 /nfs/dbraw/zinc/17/24/87/396172487.db2.gz ZACVKDIQMQRODG-BMFZPTHFSA-N 2 0 309.454 0.870 10 0 DCAERP CS[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000262828265 396185332 /nfs/dbraw/zinc/18/53/32/396185332.db2.gz YZPIDGWTEONBSE-NEPJUHHUSA-N 2 0 309.439 0.173 10 0 DCAERP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)N1CC[NH+](C)CC1 ZINC000183570879 396271132 /nfs/dbraw/zinc/27/11/32/396271132.db2.gz BCKCTPZDWZFFEV-CYBMUJFWSA-N 2 0 305.426 0.513 10 0 DCAERP O[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000263313931 396213630 /nfs/dbraw/zinc/21/36/30/396213630.db2.gz ZDVCVFQKDYMLNK-FUHWJXTLSA-N 2 0 303.450 0.863 10 0 DCAERP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000261979036 292164430 /nfs/dbraw/zinc/16/44/30/292164430.db2.gz JARUACUQWDKXJZ-ZDUSSCGKSA-N 2 0 306.410 0.915 10 0 DCAERP CC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000125157986 158252096 /nfs/dbraw/zinc/25/20/96/158252096.db2.gz DVJMTGSHMLZTCZ-CVEARBPZSA-N 2 0 310.486 0.955 10 0 DCAERP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899891 158387498 /nfs/dbraw/zinc/38/74/98/158387498.db2.gz UERSJSXEJMAMJS-OWCLPIDISA-N 2 0 324.469 0.975 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000367242411 159323907 /nfs/dbraw/zinc/32/39/07/159323907.db2.gz AAMDLNBSXJMIOX-QGZVFWFLSA-N 2 0 310.486 0.419 10 0 DCAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072956142 415419436 /nfs/dbraw/zinc/41/94/36/415419436.db2.gz VPIHVTVWVYKHIO-HUUCEWRRSA-N 2 0 324.469 0.387 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079391956 415471131 /nfs/dbraw/zinc/47/11/31/415471131.db2.gz XAQQCNYYHQEVJI-OAHLLOKOSA-N 2 0 324.469 0.882 10 0 DCAERP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333758275 415731151 /nfs/dbraw/zinc/73/11/51/415731151.db2.gz ADJIWQMRNICSHZ-GJZGRUSLSA-N 2 0 311.474 0.454 10 0 DCAERP C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)([NH+](C)C)C1 ZINC000333793906 415740606 /nfs/dbraw/zinc/74/06/06/415740606.db2.gz MWDJQJYAFKYCQH-ORIJERBGSA-N 2 0 312.458 0.471 10 0 DCAERP Cn1ccnc1CC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000180480040 416196843 /nfs/dbraw/zinc/19/68/43/416196843.db2.gz ILFSMIVQXCQURO-UHFFFAOYSA-N 2 0 319.453 0.449 10 0 DCAERP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000190683326 416281216 /nfs/dbraw/zinc/28/12/16/416281216.db2.gz GATSDPABCOLERS-SGMGOOAPSA-N 2 0 303.472 0.586 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479577 416286910 /nfs/dbraw/zinc/28/69/10/416286910.db2.gz MWXAROWNONMJJS-CVEARBPZSA-N 2 0 310.486 0.988 10 0 DCAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439051873 416605677 /nfs/dbraw/zinc/60/56/77/416605677.db2.gz WUSSTWIMHGUOQG-INIZCTEOSA-N 2 0 320.437 0.825 10 0 DCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788144 417361305 /nfs/dbraw/zinc/36/13/05/417361305.db2.gz QTQQCEORFYRTOG-GOEBONIOSA-N 2 0 305.422 0.859 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638837541 417566876 /nfs/dbraw/zinc/56/68/76/417566876.db2.gz ZPDROMBBANKNPG-BPUTZDHNSA-N 2 0 305.422 0.844 10 0 DCAERP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488720229 272048594 /nfs/dbraw/zinc/04/85/94/272048594.db2.gz PHLBBTNYUSHDHL-FZKCQIBNSA-N 2 0 300.443 0.408 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000546590288 288019643 /nfs/dbraw/zinc/01/96/43/288019643.db2.gz PWEIZZUNQGBVPH-UHFFFAOYSA-N 2 0 310.442 0.394 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000562278055 288562458 /nfs/dbraw/zinc/56/24/58/288562458.db2.gz QOKZUWBXBBNDQJ-ZIAGYGMSSA-N 2 0 312.458 0.386 10 0 DCAERP Cn1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333622755 294215263 /nfs/dbraw/zinc/21/52/63/294215263.db2.gz UPIIMSBAIKXJIQ-DYVFJYSZSA-N 2 0 317.437 0.855 10 0 DCAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795508 546022823 /nfs/dbraw/zinc/02/28/23/546022823.db2.gz IODOPZGHOKMNRH-CYBMUJFWSA-N 2 0 316.409 0.487 10 0 DCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC000333368112 546078857 /nfs/dbraw/zinc/07/88/57/546078857.db2.gz FCWJBJCIQCYBDG-VNHYZAJKSA-N 2 0 318.425 0.369 10 0 DCAERP O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000390702317 685260785 /nfs/dbraw/zinc/26/07/85/685260785.db2.gz DMNDKDXKTLCZKQ-CVEARBPZSA-N 2 0 323.462 0.932 10 0 DCAERP CC(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000066245103 685065313 /nfs/dbraw/zinc/06/53/13/685065313.db2.gz ZKYRDDZJJQTGTD-LSDHHAIUSA-N 2 0 311.474 0.342 10 0 DCAERP CN(C)c1cc[n+](CC(O)C[n+]2ccc(N(C)C)cc2)cc1 ZINC000005342446 181231386 /nfs/dbraw/zinc/23/13/86/181231386.db2.gz VRLGPGICCAIBPA-UHFFFAOYSA-N 2 0 302.422 0.455 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236838827 202033231 /nfs/dbraw/zinc/03/32/31/202033231.db2.gz PMPDOWOWARXKOZ-GJZGRUSLSA-N 2 0 324.469 0.435 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247221615 285010545 /nfs/dbraw/zinc/01/05/45/285010545.db2.gz MIWPVTGDVOXECP-ZBFHGGJFSA-N 2 0 324.469 0.975 10 0 DCAERP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246735052 533018666 /nfs/dbraw/zinc/01/86/66/533018666.db2.gz YPJHRZWPTXCHPD-GOEBONIOSA-N 2 0 320.437 0.644 10 0 DCAERP CCOC(=O)CNC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261720001 396059285 /nfs/dbraw/zinc/05/92/85/396059285.db2.gz FTGLNIDPOUYJBQ-MRXNPFEDSA-N 2 0 311.426 0.377 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000252441942 396019269 /nfs/dbraw/zinc/01/92/69/396019269.db2.gz DNQYYWNJAVKHRX-LSDHHAIUSA-N 2 0 312.458 0.881 10 0 DCAERP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000262119104 396101095 /nfs/dbraw/zinc/10/10/95/396101095.db2.gz FSWPGCLJJWUJQX-ZCDTZLGTSA-N 2 0 317.437 0.465 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262400491 396135951 /nfs/dbraw/zinc/13/59/51/396135951.db2.gz YNCPHCITUHMNRF-CFVMTHIKSA-N 2 0 307.442 0.570 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000192801289 396438012 /nfs/dbraw/zinc/43/80/12/396438012.db2.gz HIHQSQWGHLIYEF-QGZVFWFLSA-N 2 0 311.470 0.894 10 0 DCAERP C[C@H](O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000303996034 396726791 /nfs/dbraw/zinc/72/67/91/396726791.db2.gz PCOSFLSADOBBMV-ZDUSSCGKSA-N 2 0 309.454 0.822 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413635 287068848 /nfs/dbraw/zinc/06/88/48/287068848.db2.gz BPQXXHCQHSTJEI-GXTWGEPZSA-N 2 0 308.426 0.246 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302448 415603278 /nfs/dbraw/zinc/60/32/78/415603278.db2.gz JAYLQRJPKXRNEF-GXTWGEPZSA-N 2 0 300.472 0.865 10 0 DCAERP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105193226 415629437 /nfs/dbraw/zinc/62/94/37/415629437.db2.gz KRTKDDPHFQNVKR-INIZCTEOSA-N 2 0 324.469 0.977 10 0 DCAERP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000333488903 415665442 /nfs/dbraw/zinc/66/54/42/415665442.db2.gz DACYOXWHHWIMCF-LSDHHAIUSA-N 2 0 312.458 0.881 10 0 DCAERP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178886708 416176441 /nfs/dbraw/zinc/17/64/41/416176441.db2.gz QDHBSAANZQXHHN-LSDHHAIUSA-N 2 0 319.453 0.809 10 0 DCAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479591 416287372 /nfs/dbraw/zinc/28/73/72/416287372.db2.gz MWXAROWNONMJJS-HOTGVXAUSA-N 2 0 310.486 0.988 10 0 DCAERP COCC[N@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261816182 416335927 /nfs/dbraw/zinc/33/59/27/416335927.db2.gz AFIGBZMUESRWFA-DVOMOZLQSA-N 2 0 313.442 0.213 10 0 DCAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422982093 416456067 /nfs/dbraw/zinc/45/60/67/416456067.db2.gz VMXIJLVGFVIWIB-QZTJIDSGSA-N 2 0 321.465 0.967 10 0 DCAERP CC1=CC[N@H+](CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000358665612 261689742 /nfs/dbraw/zinc/68/97/42/261689742.db2.gz MTUJJFXCTMDHBY-HNNXBMFYSA-N 2 0 310.442 0.610 10 0 DCAERP CO[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000530411122 287747600 /nfs/dbraw/zinc/74/76/00/287747600.db2.gz GHKRYAJYEPGKPX-KGLIPLIRSA-N 2 0 300.447 0.689 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236840606 279087614 /nfs/dbraw/zinc/08/76/14/279087614.db2.gz OCDLFWPOBRCCSZ-GJZGRUSLSA-N 2 0 324.469 0.517 10 0 DCAERP CC[C@@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000152002216 280069201 /nfs/dbraw/zinc/06/92/01/280069201.db2.gz BPFZYTVWIZWERT-CVEARBPZSA-N 2 0 310.486 0.955 10 0 DCAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000129610486 289319653 /nfs/dbraw/zinc/31/96/53/289319653.db2.gz HNIWPWGNSBXMFO-ZIAGYGMSSA-N 2 0 312.458 0.567 10 0 DCAERP CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000157859601 520582422 /nfs/dbraw/zinc/58/24/22/520582422.db2.gz MIIGKHBETGPXBJ-GJZGRUSLSA-N 2 0 324.469 0.482 10 0 DCAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333416118 546081168 /nfs/dbraw/zinc/08/11/68/546081168.db2.gz RXCQEWJDOPOHST-CQSZACIVSA-N 2 0 310.442 0.491 10 0 DCAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262146541 662112250 /nfs/dbraw/zinc/11/22/50/662112250.db2.gz HNPHUVZNTYMFLO-OAHLLOKOSA-N 2 0 309.454 0.932 10 0 DCAERP C[C@@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000702381029 666946920 /nfs/dbraw/zinc/94/69/20/666946920.db2.gz AIELTTKQGGLOHD-HOCLYGCPSA-N 2 0 306.454 0.902 10 0 DCAERP C[NH+](C)C[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000702415418 666955864 /nfs/dbraw/zinc/95/58/64/666955864.db2.gz UWPZGORVCIXEEF-INIZCTEOSA-N 2 0 304.438 0.656 10 0 DCAERP O[C@]1(C[NH2+]CCc2csc(-c3ncccn3)n2)CC[NH2+]C1 ZINC000077505527 670427166 /nfs/dbraw/zinc/42/71/66/670427166.db2.gz UFUUEQOBGZEVKJ-AWEZNQCLSA-N 2 0 305.407 0.457 10 0 DCAERP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389949055 685258433 /nfs/dbraw/zinc/25/84/33/685258433.db2.gz RQDAAJHXHVBQEC-KBMXLJTQSA-N 2 0 305.422 0.987 10 0 DCAERP O=S(=O)(C1C[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000405157346 774151916 /nfs/dbraw/zinc/15/19/16/774151916.db2.gz UIZNGTYEMQVXMB-UHFFFAOYSA-N 2 0 309.435 0.496 10 0 DCAERP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082134597 192360413 /nfs/dbraw/zinc/36/04/13/192360413.db2.gz QXUJPXHORUDKDZ-QGZVFWFLSA-N 2 0 317.433 0.662 10 0 DCAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236840638 202034359 /nfs/dbraw/zinc/03/43/59/202034359.db2.gz VUCMVBWSZPQXFA-UONOGXRCSA-N 2 0 310.442 0.126 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188737183 200296755 /nfs/dbraw/zinc/29/67/55/200296755.db2.gz HAIBNSHHMGGRFP-UHFFFAOYSA-N 2 0 305.426 0.907 10 0 DCAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000019995071 182175312 /nfs/dbraw/zinc/17/53/12/182175312.db2.gz AVDVXQRPPHLLMX-CHWSQXEVSA-N 2 0 321.487 0.375 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373726 285031801 /nfs/dbraw/zinc/03/18/01/285031801.db2.gz MMUXQCIGPMEXNO-AWEZNQCLSA-N 2 0 313.442 0.230 10 0 DCAERP CCC(CC)[C@@H](CNC(=O)[C@H]1COCCN1)N1CCOCC1 ZINC000236666973 395896284 /nfs/dbraw/zinc/89/62/84/395896284.db2.gz QDTNGXYUAKIFAJ-HUUCEWRRSA-N 2 0 313.442 0.228 10 0 DCAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690906 395933716 /nfs/dbraw/zinc/93/37/16/395933716.db2.gz BKKDFDBCEIPETG-GXTWGEPZSA-N 2 0 308.426 0.246 10 0 DCAERP C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247530516 395975885 /nfs/dbraw/zinc/97/58/85/395975885.db2.gz XLRFJYIGQFFMLV-QLFBSQMISA-N 2 0 310.442 0.585 10 0 DCAERP [NH3+]C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCOCC1 ZINC000261755905 396062932 /nfs/dbraw/zinc/06/29/32/396062932.db2.gz FPLWFABANAAMHH-UHFFFAOYSA-N 2 0 311.426 0.065 10 0 DCAERP C[NH+](C)[C@]1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CCSC1 ZINC000261901810 396077194 /nfs/dbraw/zinc/07/71/94/396077194.db2.gz WNRIROSBOSRODA-OCCSQVGLSA-N 2 0 301.456 0.294 10 0 DCAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261938407 396081418 /nfs/dbraw/zinc/08/14/18/396081418.db2.gz MNJARWUEBCCMHN-TVFCKZIOSA-N 2 0 324.513 0.759 10 0 DCAERP CN1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000261941863 396081767 /nfs/dbraw/zinc/08/17/67/396081767.db2.gz DULCWVNLZWZORP-SFHVURJKSA-N 2 0 322.497 0.862 10 0 DCAERP CC(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261955376 396084357 /nfs/dbraw/zinc/08/43/57/396084357.db2.gz ABRSGHBTLJYHDN-AWEZNQCLSA-N 2 0 310.442 0.045 10 0 DCAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263284645 396211189 /nfs/dbraw/zinc/21/11/89/396211189.db2.gz UUERLBAUANPKJL-CHWSQXEVSA-N 2 0 319.396 0.943 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262753177 396178630 /nfs/dbraw/zinc/17/86/30/396178630.db2.gz HAYYHXLXXAFBEV-QWHCGFSZSA-N 2 0 301.456 0.309 10 0 DCAERP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000189654242 396396973 /nfs/dbraw/zinc/39/69/73/396396973.db2.gz YSXZMVIVSBDXFR-HNNXBMFYSA-N 2 0 315.483 0.830 10 0 DCAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)C(C)C)C1 ZINC000078719753 158074649 /nfs/dbraw/zinc/07/46/49/158074649.db2.gz FIRLVNHRMSAZBB-OAHLLOKOSA-N 2 0 315.458 0.162 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129954067 158292309 /nfs/dbraw/zinc/29/23/09/158292309.db2.gz IHHCNXWNEAJGSN-CABCVRRESA-N 2 0 312.458 0.690 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000165940625 158366071 /nfs/dbraw/zinc/36/60/71/158366071.db2.gz PWDOEFCHZNFNFB-CYBMUJFWSA-N 2 0 320.441 0.725 10 0 DCAERP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000166561600 158366899 /nfs/dbraw/zinc/36/68/99/158366899.db2.gz XUBCOPFIXWWESR-JKSUJKDBSA-N 2 0 308.470 0.789 10 0 DCAERP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408214682 160061563 /nfs/dbraw/zinc/06/15/63/160061563.db2.gz OQMKKEZZXFFUSX-ZIAGYGMSSA-N 2 0 319.471 0.063 10 0 DCAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333417898 415642959 /nfs/dbraw/zinc/64/29/59/415642959.db2.gz SCXQKDPQFKAZHC-CWRNSKLLSA-N 2 0 324.469 0.758 10 0 DCAERP C[C@H]1CCC[C@@](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)([NH+](C)C)C1 ZINC000333793907 415741224 /nfs/dbraw/zinc/74/12/24/415741224.db2.gz MWDJQJYAFKYCQH-RZLSGREXSA-N 2 0 312.458 0.471 10 0 DCAERP C[NH+](C)CCN1C[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516784 416257277 /nfs/dbraw/zinc/25/72/77/416257277.db2.gz IAGFAQCEAOHEOP-ZIAGYGMSSA-N 2 0 322.453 0.140 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000535260895 416519494 /nfs/dbraw/zinc/51/94/94/416519494.db2.gz HYSQPENNROJVSG-LSDHHAIUSA-N 2 0 303.410 0.841 10 0 DCAERP C[N@H+](CCCNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649281597 418221555 /nfs/dbraw/zinc/22/15/55/418221555.db2.gz VQFQRQCHEKHSNV-INIZCTEOSA-N 2 0 305.422 0.861 10 0 DCAERP CC[NH+]1CCN([C@H](C)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362763334 262069175 /nfs/dbraw/zinc/06/91/75/262069175.db2.gz QVVGMMMLHPEASR-OAHLLOKOSA-N 2 0 310.486 0.861 10 0 DCAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261948835 282051467 /nfs/dbraw/zinc/05/14/67/282051467.db2.gz NWUPNTLXDRMUCZ-KURKYZTESA-N 2 0 324.513 0.759 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000262409038 294301618 /nfs/dbraw/zinc/30/16/18/294301618.db2.gz ZAZKNVAJXRNOFZ-QXSJWSMHSA-N 2 0 317.437 0.466 10 0 DCAERP CN(CCCN(C)C(=O)CCCC[NH3+])C(=O)CCCC[NH3+] ZINC000584651381 337380891 /nfs/dbraw/zinc/38/08/91/337380891.db2.gz IUFOCGQVUBMOBQ-UHFFFAOYSA-N 2 0 300.447 0.551 10 0 DCAERP CN1CC[NH2+]C[C@H]1[C@@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000584651628 337381010 /nfs/dbraw/zinc/38/10/10/337381010.db2.gz JNUFTHDWRCDGDE-IRXDYDNUSA-N 2 0 306.429 0.718 10 0 DCAERP C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000722257633 660510571 /nfs/dbraw/zinc/51/05/71/660510571.db2.gz QIUAIZCOCUVMNL-KBPBESRZSA-N 2 0 303.472 0.780 10 0 DCAERP C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000702398258 666944865 /nfs/dbraw/zinc/94/48/65/666944865.db2.gz XJOBYLQNYJQMFC-WBVHZDCISA-N 2 0 318.465 0.998 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748769 685185635 /nfs/dbraw/zinc/18/56/35/685185635.db2.gz LFLCKFOIRIGAGY-JSGCOSHPSA-N 2 0 301.456 0.484 10 0 DCAERP O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186566745 296054980 /nfs/dbraw/zinc/05/49/80/296054980.db2.gz CHEXQPPJWJBFBX-HOTGVXAUSA-N 2 0 318.421 0.541 10 0 DCAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595241 252741099 /nfs/dbraw/zinc/74/10/99/252741099.db2.gz BKNNFXXBXJPEAM-SEBNEYGDSA-N 2 0 312.458 0.327 10 0 DCAERP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237169121 395905122 /nfs/dbraw/zinc/90/51/22/395905122.db2.gz KUVCHILOIJEETI-JKXDFHQYSA-N 2 0 322.453 0.138 10 0 DCAERP CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245448779 395930155 /nfs/dbraw/zinc/93/01/55/395930155.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 0 312.458 0.386 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000247189441 395968842 /nfs/dbraw/zinc/96/88/42/395968842.db2.gz LFRMMPDOIJAPDC-HOTGVXAUSA-N 2 0 324.469 0.977 10 0 DCAERP CC1(C)COCCN1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247224772 395969428 /nfs/dbraw/zinc/96/94/28/395969428.db2.gz CGDAKRMLCJPRHW-AWEZNQCLSA-N 2 0 310.442 0.587 10 0 DCAERP COCCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000247224834 395969999 /nfs/dbraw/zinc/96/99/99/395969999.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 0 324.469 0.833 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247309336 395971542 /nfs/dbraw/zinc/97/15/42/395971542.db2.gz NXQDKLBXTFTMLT-OWCLPIDISA-N 2 0 323.485 0.500 10 0 DCAERP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@H]21 ZINC000248962683 396000974 /nfs/dbraw/zinc/00/09/74/396000974.db2.gz NACVNLXDGONSHW-LSDHHAIUSA-N 2 0 315.483 0.828 10 0 DCAERP COC(=O)c1cn(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)nn1 ZINC000261731390 396060408 /nfs/dbraw/zinc/06/04/08/396060408.db2.gz HHMVBMBVGJYNCX-OAHLLOKOSA-N 2 0 307.398 0.701 10 0 DCAERP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000262271069 396116454 /nfs/dbraw/zinc/11/64/54/396116454.db2.gz NAOCALQXINXXMN-ZIAGYGMSSA-N 2 0 313.442 0.046 10 0 DCAERP C[NH2+][C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000262356908 396129591 /nfs/dbraw/zinc/12/95/91/396129591.db2.gz JUHGQAPRKYSBKM-HNNXBMFYSA-N 2 0 305.426 0.767 10 0 DCAERP CNC(=O)c1ccn([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261943041 396081393 /nfs/dbraw/zinc/08/13/93/396081393.db2.gz FAFBNPYXSDOPSD-BBRMVZONSA-N 2 0 305.426 0.879 10 0 DCAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313638 396194060 /nfs/dbraw/zinc/19/40/60/396194060.db2.gz MCBSGBMMQZHRQM-CABCVRRESA-N 2 0 306.410 0.951 10 0 DCAERP CCC[N@H+](CC)CCNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000181888345 396242918 /nfs/dbraw/zinc/24/29/18/396242918.db2.gz FZVHIWNRGPXEEH-OAHLLOKOSA-N 2 0 314.474 0.816 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189438556 396395471 /nfs/dbraw/zinc/39/54/71/396395471.db2.gz CCFYBFHAJPXKIW-LSDHHAIUSA-N 2 0 315.483 0.971 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000562278053 396654696 /nfs/dbraw/zinc/65/46/96/396654696.db2.gz QOKZUWBXBBNDQJ-KGLIPLIRSA-N 2 0 312.458 0.386 10 0 DCAERP c1nnc2ccc(N3CC[C@@H]([NH2+][C@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522602 396775381 /nfs/dbraw/zinc/77/53/81/396775381.db2.gz DNZANONNUGYFOR-QWHCGFSZSA-N 2 0 301.398 0.435 10 0 DCAERP [NH2+]=C(NCCCN1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000376020240 396863304 /nfs/dbraw/zinc/86/33/04/396863304.db2.gz UMPIPIGRUAJHPM-UHFFFAOYSA-N 2 0 323.485 0.840 10 0 DCAERP COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513820 158147908 /nfs/dbraw/zinc/14/79/08/158147908.db2.gz KAMACRXKINGWQF-KGLIPLIRSA-N 2 0 313.442 0.574 10 0 DCAERP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123627571 158231500 /nfs/dbraw/zinc/23/15/00/158231500.db2.gz CKWWKFWJMMHFDA-GFCCVEGCSA-N 2 0 307.398 0.520 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000262227631 158787390 /nfs/dbraw/zinc/78/73/90/158787390.db2.gz KBNNWGGQRNZGFG-QLFBSQMISA-N 2 0 319.453 0.618 10 0 DCAERP CC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000408106584 160037174 /nfs/dbraw/zinc/03/71/74/160037174.db2.gz TYCFPKRADXWHRQ-KGLIPLIRSA-N 2 0 312.458 0.567 10 0 DCAERP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408214681 160061574 /nfs/dbraw/zinc/06/15/74/160061574.db2.gz OQMKKEZZXFFUSX-UONOGXRCSA-N 2 0 319.471 0.063 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000408389744 160098434 /nfs/dbraw/zinc/09/84/34/160098434.db2.gz NSEOTCNJDFLGSP-MGPQQGTHSA-N 2 0 305.426 0.967 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333491180 415665608 /nfs/dbraw/zinc/66/56/08/415665608.db2.gz DIKSGGARXSZQLG-MRXNPFEDSA-N 2 0 324.469 0.882 10 0 DCAERP COCC[N@H+](C)CCCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113595640 415720279 /nfs/dbraw/zinc/72/02/79/415720279.db2.gz XPMTWMYIBLRHRW-HUUCEWRRSA-N 2 0 312.458 0.833 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173890478 416067661 /nfs/dbraw/zinc/06/76/61/416067661.db2.gz SLXXFUVYTJRXFF-MRXNPFEDSA-N 2 0 322.453 0.755 10 0 DCAERP COC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820493 416261833 /nfs/dbraw/zinc/26/18/33/416261833.db2.gz HKOATGFPDQMQIT-CVEARBPZSA-N 2 0 300.443 0.864 10 0 DCAERP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000547691187 416682047 /nfs/dbraw/zinc/68/20/47/416682047.db2.gz NTZJDDNDJDCIKZ-CRWXNKLISA-N 2 0 303.410 1.277 10 0 DCAERP CC[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000545176492 416666164 /nfs/dbraw/zinc/66/61/64/416666164.db2.gz CIHIUMYSKICKJX-INIZCTEOSA-N 2 0 312.458 0.474 10 0 DCAERP C[NH+](C)CC1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000524370544 272565353 /nfs/dbraw/zinc/56/53/53/272565353.db2.gz RAWWMOXZPFNHGM-HOTGVXAUSA-N 2 0 300.443 0.817 10 0 DCAERP C[NH+](C)[C@@]1(CNC(=O)C2(C[NH3+])CCOCC2)CCSC1 ZINC000262156393 289340618 /nfs/dbraw/zinc/34/06/18/289340618.db2.gz IATXKAQXNINETO-CQSZACIVSA-N 2 0 301.456 0.295 10 0 DCAERP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702411576 666954487 /nfs/dbraw/zinc/95/44/87/666954487.db2.gz WNIKQYHKTVIVFT-HOTGVXAUSA-N 2 0 304.438 0.608 10 0 DCAERP C[N@@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CCC1(C)C ZINC000712629983 670149754 /nfs/dbraw/zinc/14/97/54/670149754.db2.gz YPSSMYNADVXMLY-UHFFFAOYSA-N 2 0 303.472 0.732 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C[NH2+]C)cn2)CC1 ZINC000236895595 202058809 /nfs/dbraw/zinc/05/88/09/202058809.db2.gz GDAZDWBJCFJQBC-AWEZNQCLSA-N 2 0 319.453 0.695 10 0 DCAERP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105134321 194078496 /nfs/dbraw/zinc/07/84/96/194078496.db2.gz LATLKYGGLOKMAV-CQSZACIVSA-N 2 0 312.458 0.881 10 0 DCAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)CC2CC2)CC1 ZINC000105862638 194150267 /nfs/dbraw/zinc/15/02/67/194150267.db2.gz UDXOHXPHXQTNCP-CQSZACIVSA-N 2 0 311.470 0.879 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868067 285023153 /nfs/dbraw/zinc/02/31/53/285023153.db2.gz DRDJLPRLCMLLDD-CVEARBPZSA-N 2 0 324.469 0.977 10 0 DCAERP CC[N@H+](CCNC(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000101982166 395768504 /nfs/dbraw/zinc/76/85/04/395768504.db2.gz LCSOJRYBAONHRC-UHFFFAOYSA-N 2 0 312.458 0.882 10 0 DCAERP C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000108466606 395789616 /nfs/dbraw/zinc/78/96/16/395789616.db2.gz SYXGBRZPPOHVSK-AWEZNQCLSA-N 2 0 310.442 0.444 10 0 DCAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000237005685 395900762 /nfs/dbraw/zinc/90/07/62/395900762.db2.gz MUYWQDSGXJQVFI-IHRRRGAJSA-N 2 0 310.442 0.125 10 0 DCAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000245396372 395927145 /nfs/dbraw/zinc/92/71/45/395927145.db2.gz KZVCXDSNDSMUNJ-LSDHHAIUSA-N 2 0 314.474 0.863 10 0 DCAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247001527 395963543 /nfs/dbraw/zinc/96/35/43/395963543.db2.gz GQSZHEPGXJRJQU-GJZGRUSLSA-N 2 0 312.458 0.690 10 0 DCAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000247028683 395964540 /nfs/dbraw/zinc/96/45/40/395964540.db2.gz PPBSJXKPJXPRIY-HOTGVXAUSA-N 2 0 323.485 0.360 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247488065 395975431 /nfs/dbraw/zinc/97/54/31/395975431.db2.gz LCBHCPFVVGGJBR-GJZGRUSLSA-N 2 0 310.442 0.587 10 0 DCAERP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261719997 396059089 /nfs/dbraw/zinc/05/90/89/396059089.db2.gz FTGLNIDPOUYJBQ-INIZCTEOSA-N 2 0 311.426 0.377 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096323 396098909 /nfs/dbraw/zinc/09/89/09/396098909.db2.gz DKSZRTOEWBSHIV-ZNMIVQPWSA-N 2 0 305.426 0.324 10 0 DCAERP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000262271067 396116637 /nfs/dbraw/zinc/11/66/37/396116637.db2.gz NAOCALQXINXXMN-KGLIPLIRSA-N 2 0 313.442 0.046 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000263266827 396209998 /nfs/dbraw/zinc/20/99/98/396209998.db2.gz VNHSWFCUQJPAIS-ZBFHGGJFSA-N 2 0 324.469 0.467 10 0 DCAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572386 396156628 /nfs/dbraw/zinc/15/66/28/396156628.db2.gz XPTMFVOLYKRTID-VMUDFCTBSA-N 2 0 309.454 0.977 10 0 DCAERP CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183626480 396272869 /nfs/dbraw/zinc/27/28/69/396272869.db2.gz VKIYHMHBRRYJRB-CQSZACIVSA-N 2 0 319.453 0.903 10 0 DCAERP O=S(=O)([C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000190156329 396402855 /nfs/dbraw/zinc/40/28/55/396402855.db2.gz QPOQJZJAIRIAEN-AWEZNQCLSA-N 2 0 301.456 0.486 10 0 DCAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000309745832 396759529 /nfs/dbraw/zinc/75/95/29/396759529.db2.gz UFZZPJLTAHTZPH-HNNXBMFYSA-N 2 0 304.438 0.528 10 0 DCAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCCCO)CC2)C1 ZINC000105915162 158131977 /nfs/dbraw/zinc/13/19/77/158131977.db2.gz CWRVKNBZVAGSOV-KRWDZBQOSA-N 2 0 313.486 0.876 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCN2CCCC2=O)CC1 ZINC000109752565 158138603 /nfs/dbraw/zinc/13/86/03/158138603.db2.gz PMIXLFDBXDVQCJ-MRXNPFEDSA-N 2 0 308.470 0.711 10 0 DCAERP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000117035707 158170390 /nfs/dbraw/zinc/17/03/90/158170390.db2.gz ISSFKUVPLPHHKO-GJZGRUSLSA-N 2 0 312.458 0.690 10 0 DCAERP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)C2 ZINC000329225758 159075212 /nfs/dbraw/zinc/07/52/12/159075212.db2.gz GSAFJSSQOBRXFD-XNRPHZJLSA-N 2 0 320.437 0.667 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(N2CCC[C@H]2CO)ncn1 ZINC000408389743 160098450 /nfs/dbraw/zinc/09/84/50/160098450.db2.gz NSEOTCNJDFLGSP-MCIONIFRSA-N 2 0 305.426 0.967 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247775197 287095243 /nfs/dbraw/zinc/09/52/43/287095243.db2.gz QJAUTGJDSOGNFX-HUUCEWRRSA-N 2 0 311.474 0.406 10 0 DCAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000074167552 415428023 /nfs/dbraw/zinc/42/80/23/415428023.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 2 0 312.458 0.881 10 0 DCAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000174232022 416075361 /nfs/dbraw/zinc/07/53/61/416075361.db2.gz ZGZKZPAXOPOFNF-AWEZNQCLSA-N 2 0 300.447 0.738 10 0 DCAERP C(CN1CC[NH+]2CCC[C@@H]2C1)OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178664117 416167849 /nfs/dbraw/zinc/16/78/49/416167849.db2.gz FCIWWMPXPPAFDK-QZTJIDSGSA-N 2 0 322.497 0.563 10 0 DCAERP NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195516032 416326622 /nfs/dbraw/zinc/32/66/22/416326622.db2.gz HLSNYILGSDBPOJ-LBPRGKRZSA-N 2 0 305.382 0.791 10 0 DCAERP O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000547691383 416681638 /nfs/dbraw/zinc/68/16/38/416681638.db2.gz NTZJDDNDJDCIKZ-SYQHCUMBSA-N 2 0 303.410 1.277 10 0 DCAERP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000638109469 417336186 /nfs/dbraw/zinc/33/61/86/417336186.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 2 0 316.449 0.752 10 0 DCAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649279145 418219219 /nfs/dbraw/zinc/21/92/19/418219219.db2.gz ZGCIMZGVIYOIJD-HOTGVXAUSA-N 2 0 303.406 0.613 10 0 DCAERP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193475478 261142060 /nfs/dbraw/zinc/14/20/60/261142060.db2.gz XDWBAVKJWHFXOH-ZBFHGGJFSA-N 2 0 324.469 0.617 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000194148237 261144863 /nfs/dbraw/zinc/14/48/63/261144863.db2.gz CIMITASLMFEAFL-OAHLLOKOSA-N 2 0 312.458 0.882 10 0 DCAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000194152099 261145290 /nfs/dbraw/zinc/14/52/90/261145290.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 2 0 300.447 0.738 10 0 DCAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188938083 281190672 /nfs/dbraw/zinc/19/06/72/281190672.db2.gz MPGFUNJHZRVXBK-NWDGAFQWSA-N 2 0 303.410 0.754 10 0 DCAERP CC(C)[NH+]1CCC(N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722223329 659388976 /nfs/dbraw/zinc/38/89/76/659388976.db2.gz IRDANXFRLGCSGR-AWEZNQCLSA-N 2 0 303.472 0.873 10 0 DCAERP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729620836 662905921 /nfs/dbraw/zinc/90/59/21/662905921.db2.gz VSYUBKDSFVXONQ-GJZGRUSLSA-N 2 0 319.409 0.078 10 0 DCAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396595 666949123 /nfs/dbraw/zinc/94/91/23/666949123.db2.gz GOTLXFWTFQYZIV-WBVHZDCISA-N 2 0 318.465 0.998 10 0 DCAERP C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616854 299075938 /nfs/dbraw/zinc/07/59/38/299075938.db2.gz REPCNJKZFFPOPI-SDADXPQNSA-N 2 0 324.469 0.614 10 0 DCAERP CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245448778 395930103 /nfs/dbraw/zinc/93/01/03/395930103.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 0 312.458 0.386 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)NC[C@H]([NH3+])C3CC3)ccn2)CC1 ZINC000237237202 395907753 /nfs/dbraw/zinc/90/77/53/395907753.db2.gz ICTPKTVPAZTKSV-AWEZNQCLSA-N 2 0 303.410 0.301 10 0 DCAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258659 396115913 /nfs/dbraw/zinc/11/59/13/396115913.db2.gz MBLREZPJAQOAMJ-OAHLLOKOSA-N 2 0 319.453 0.952 10 0 DCAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371135 396131848 /nfs/dbraw/zinc/13/18/48/396131848.db2.gz WBLYZVDWSOVNDM-BMFZPTHFSA-N 2 0 319.453 0.714 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261912263 396078570 /nfs/dbraw/zinc/07/85/70/396078570.db2.gz JFCULTUUFDIFLY-TWMKSMIVSA-N 2 0 310.486 0.369 10 0 DCAERP CCn1ccnc1CN(C(=O)C1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262953163 396193832 /nfs/dbraw/zinc/19/38/32/396193832.db2.gz OZIAUJHLUFHOEW-CQSZACIVSA-N 2 0 317.437 0.593 10 0 DCAERP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309704602 396757784 /nfs/dbraw/zinc/75/77/84/396757784.db2.gz HGLXVLDYGSACCZ-CVEARBPZSA-N 2 0 305.422 0.989 10 0 DCAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948902 397004381 /nfs/dbraw/zinc/00/43/81/397004381.db2.gz FTJSSEBVAZNVHP-KBPBESRZSA-N 2 0 322.453 0.282 10 0 DCAERP C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150412 158207976 /nfs/dbraw/zinc/20/79/76/158207976.db2.gz LJRDVQINSVQXPE-ZIAGYGMSSA-N 2 0 314.474 0.935 10 0 DCAERP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000049175442 286891781 /nfs/dbraw/zinc/89/17/81/286891781.db2.gz UUZPBVITWWYDMH-INIZCTEOSA-N 2 0 324.469 0.759 10 0 DCAERP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246514983 287084843 /nfs/dbraw/zinc/08/48/43/287084843.db2.gz BNVQPJAINAZLDJ-BMFZPTHFSA-N 2 0 324.469 0.528 10 0 DCAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000074167555 415430517 /nfs/dbraw/zinc/43/05/17/415430517.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 2 0 312.458 0.881 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000333703791 415720070 /nfs/dbraw/zinc/72/00/70/415720070.db2.gz RFIHKHQRPOAPAX-MRXNPFEDSA-N 2 0 324.469 0.882 10 0 DCAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000333895326 415760655 /nfs/dbraw/zinc/76/06/55/415760655.db2.gz YYYZAHXKQQTIIL-CABCVRRESA-N 2 0 310.442 0.492 10 0 DCAERP C[NH+]1CCN(c2cc(C(=O)N[C@@](C)(C[NH3+])C3CC3)ccn2)CC1 ZINC000154961274 415990800 /nfs/dbraw/zinc/99/08/00/415990800.db2.gz MLJKWGFYLKYGAV-KRWDZBQOSA-N 2 0 317.437 0.691 10 0 DCAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422982092 416455892 /nfs/dbraw/zinc/45/58/92/416455892.db2.gz VMXIJLVGFVIWIB-MSOLQXFVSA-N 2 0 321.465 0.967 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261713294 280273697 /nfs/dbraw/zinc/27/36/97/280273697.db2.gz KVOJJNXBHGZYGF-INIZCTEOSA-N 2 0 320.437 0.116 10 0 DCAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000551657576 288232276 /nfs/dbraw/zinc/23/22/76/288232276.db2.gz LBHJCNIJANHBIL-CYBMUJFWSA-N 2 0 300.447 0.243 10 0 DCAERP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064429 288368814 /nfs/dbraw/zinc/36/88/14/288368814.db2.gz ATBOTIBCPDJCFD-AWEZNQCLSA-N 2 0 312.458 0.245 10 0 DCAERP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556359278 288375274 /nfs/dbraw/zinc/37/52/74/288375274.db2.gz AIKLDGJQPZYKRM-KGLIPLIRSA-N 2 0 310.442 0.140 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000262055990 282042046 /nfs/dbraw/zinc/04/20/46/282042046.db2.gz ALTWTHZBOYYXAC-CABCVRRESA-N 2 0 319.453 0.714 10 0 DCAERP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1C ZINC000342084244 290100458 /nfs/dbraw/zinc/10/04/58/290100458.db2.gz BDJVEVIUTPOJSC-BARDWOONSA-N 2 0 312.458 0.566 10 0 DCAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368110 290156732 /nfs/dbraw/zinc/15/67/32/290156732.db2.gz FCWJBJCIQCYBDG-NFAWXSAZSA-N 2 0 318.425 0.369 10 0 DCAERP C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150631 525173947 /nfs/dbraw/zinc/17/39/47/525173947.db2.gz LJRDVQINSVQXPE-KGLIPLIRSA-N 2 0 314.474 0.935 10 0 DCAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000261683321 545976661 /nfs/dbraw/zinc/97/66/61/545976661.db2.gz HBBSYFSFYOTDKX-HUUCEWRRSA-N 2 0 322.453 0.128 10 0 DCAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333795004 546092984 /nfs/dbraw/zinc/09/29/84/546092984.db2.gz GVCWCZHDSZWZDI-HZPDHXFCSA-N 2 0 323.485 0.407 10 0 DCAERP O=S(=O)(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152101 774151886 /nfs/dbraw/zinc/15/18/86/774151886.db2.gz HQAHXTGQXIBGGT-CQSZACIVSA-N 2 0 309.435 0.542 10 0 DCAERP C[C@]1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCCC[NH2+]1 ZINC000333564393 291360451 /nfs/dbraw/zinc/36/04/51/291360451.db2.gz LSJBXPZFNXFMCL-VMBOVVBDSA-N 2 0 308.470 0.851 10 0 DCAERP C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333616857 252744551 /nfs/dbraw/zinc/74/45/51/252744551.db2.gz REPCNJKZFFPOPI-XRGAULLZSA-N 2 0 324.469 0.614 10 0 DCAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000262942507 285366906 /nfs/dbraw/zinc/36/69/06/285366906.db2.gz ADCHPSPCRWBPQT-GUTXKFCHSA-N 2 0 312.458 0.275 10 0 DCAERP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+](C)C1CC1 ZINC000105267476 395779695 /nfs/dbraw/zinc/77/96/95/395779695.db2.gz VJMWESOKVLFJTK-UKRRQHHQSA-N 2 0 312.458 0.615 10 0 DCAERP O=C1CCCN1C[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000111683912 395812503 /nfs/dbraw/zinc/81/25/03/395812503.db2.gz WHXMSGMORSBUJA-MRXNPFEDSA-N 2 0 309.454 0.778 10 0 DCAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000116789232 395846353 /nfs/dbraw/zinc/84/63/53/395846353.db2.gz NMESUXGALDSEJF-SJORKVTESA-N 2 0 319.449 0.948 10 0 DCAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117031556 395850586 /nfs/dbraw/zinc/85/05/86/395850586.db2.gz FVEVBMZAZYFUOU-UONOGXRCSA-N 2 0 300.447 0.689 10 0 DCAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237085174 395902070 /nfs/dbraw/zinc/90/20/70/395902070.db2.gz HAYYHXLXXAFBEV-CHWSQXEVSA-N 2 0 301.456 0.309 10 0 DCAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237091999 395902924 /nfs/dbraw/zinc/90/29/24/395902924.db2.gz HAYYHXLXXAFBEV-OLZOCXBDSA-N 2 0 301.456 0.309 10 0 DCAERP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246864918 395959317 /nfs/dbraw/zinc/95/93/17/395959317.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 2 0 321.465 0.918 10 0 DCAERP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261660672 396053387 /nfs/dbraw/zinc/05/33/87/396053387.db2.gz FSDVAUCYQNSXNN-GUTXKFCHSA-N 2 0 313.442 0.356 10 0 DCAERP Cc1cnn(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864330 396073211 /nfs/dbraw/zinc/07/32/11/396073211.db2.gz KRJBKPUQYOJTBS-JKSUJKDBSA-N 2 0 319.453 0.772 10 0 DCAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389485 396134465 /nfs/dbraw/zinc/13/44/65/396134465.db2.gz XUAQHAQCAYVSRY-CABCVRRESA-N 2 0 317.437 0.657 10 0 DCAERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C[NH3+])cn2)CC1 ZINC000262424182 396139061 /nfs/dbraw/zinc/13/90/61/396139061.db2.gz SATSDUZVZUPYAT-CYBMUJFWSA-N 2 0 305.426 0.435 10 0 DCAERP C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2COCC[NH2+]2)ccc1F ZINC000262437442 396139711 /nfs/dbraw/zinc/13/97/11/396139711.db2.gz UNDYPDWLFIRCLW-CQSZACIVSA-N 2 0 309.385 0.882 10 0 DCAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261938405 396081839 /nfs/dbraw/zinc/08/18/39/396081839.db2.gz MNJARWUEBCCMHN-BRSBDYLESA-N 2 0 324.513 0.759 10 0 DCAERP CC(C)[N@@H+]1CCc2nc(CNC[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263195630 396205958 /nfs/dbraw/zinc/20/59/58/396205958.db2.gz IJACRUYAJJJHFV-YPMHNXCESA-N 2 0 310.467 0.580 10 0 DCAERP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262641569 396167096 /nfs/dbraw/zinc/16/70/96/396167096.db2.gz KXVSYHROUGFFMO-QXSJWSMHSA-N 2 0 308.470 0.659 10 0 DCAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263284648 396210830 /nfs/dbraw/zinc/21/08/30/396210830.db2.gz UUERLBAUANPKJL-STQMWFEESA-N 2 0 319.396 0.943 10 0 DCAERP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000111218730 158139647 /nfs/dbraw/zinc/13/96/47/158139647.db2.gz XTTCJCRJZYXWNU-UHFFFAOYSA-N 2 0 311.426 0.474 10 0 DCAERP CC[C@](C)(O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000123543737 158231982 /nfs/dbraw/zinc/23/19/82/158231982.db2.gz HEWYDQGANNGFBK-IRXDYDNUSA-N 2 0 313.486 0.874 10 0 DCAERP CCC[NH+]1CCC(CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000124518347 158244058 /nfs/dbraw/zinc/24/40/58/158244058.db2.gz ZLTKJCDDDNCLBG-INIZCTEOSA-N 2 0 314.474 0.720 10 0 DCAERP C[C@@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262940081 158848953 /nfs/dbraw/zinc/84/89/53/158848953.db2.gz UJXGEZBAZLNGAG-HIFRSBDPSA-N 2 0 317.437 0.704 10 0 DCAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130717 287003832 /nfs/dbraw/zinc/00/38/32/287003832.db2.gz OGFFBASIDYIQJT-GJZGRUSLSA-N 2 0 317.499 0.932 10 0 DCAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333417901 415644925 /nfs/dbraw/zinc/64/49/25/415644925.db2.gz SCXQKDPQFKAZHC-KBMXLJTQSA-N 2 0 324.469 0.758 10 0 DCAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000333895328 415761283 /nfs/dbraw/zinc/76/12/83/415761283.db2.gz YYYZAHXKQQTIIL-HUUCEWRRSA-N 2 0 310.442 0.492 10 0 DCAERP CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173526826 416060705 /nfs/dbraw/zinc/06/07/05/416060705.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 0 312.458 0.386 10 0 DCAERP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173890489 416067331 /nfs/dbraw/zinc/06/73/31/416067331.db2.gz SLXXFUVYTJRXFF-INIZCTEOSA-N 2 0 322.453 0.755 10 0 DCAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178263129 416160726 /nfs/dbraw/zinc/16/07/26/416160726.db2.gz PYUOQUVCSOPKDP-IPYPFGDCSA-N 2 0 317.499 0.976 10 0 DCAERP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000246744468 416332156 /nfs/dbraw/zinc/33/21/56/416332156.db2.gz YUBOIWUINXYGHO-IPYPFGDCSA-N 2 0 310.442 0.584 10 0 DCAERP CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362066622 416554567 /nfs/dbraw/zinc/55/45/67/416554567.db2.gz NKMZSIDCJGHFEQ-MRXNPFEDSA-N 2 0 308.470 0.615 10 0 DCAERP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000152639600 276808785 /nfs/dbraw/zinc/80/87/85/276808785.db2.gz CKXYXBDRNLUITM-NVXWUHKLSA-N 2 0 307.438 0.588 10 0 DCAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248690984 279156830 /nfs/dbraw/zinc/15/68/30/279156830.db2.gz XULHJHFBWIEEQG-ILXRZTDVSA-N 2 0 314.474 0.813 10 0 DCAERP O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566726 280103866 /nfs/dbraw/zinc/10/38/66/280103866.db2.gz CHEXQPPJWJBFBX-CVEARBPZSA-N 2 0 318.421 0.541 10 0 DCAERP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262378123 280273755 /nfs/dbraw/zinc/27/37/55/280273755.db2.gz YKQWVSHEDHOXLL-FLTXBFBQSA-N 2 0 310.442 0.217 10 0 DCAERP C[NH+](C)C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000117045385 289215499 /nfs/dbraw/zinc/21/54/99/289215499.db2.gz NEZTVMAKXCWZIA-HNNXBMFYSA-N 2 0 312.458 0.690 10 0 DCAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000262356646 289362163 /nfs/dbraw/zinc/36/21/63/289362163.db2.gz UVXNRCJBLFEWMS-QLFBSQMISA-N 2 0 305.426 0.180 10 0 DCAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000187298283 529102686 /nfs/dbraw/zinc/10/26/86/529102686.db2.gz VZIZIIXLSLYVAA-GJZGRUSLSA-N 2 0 312.458 0.737 10 0 DCAERP c1cn([C@@H]2COC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000333224251 546074074 /nfs/dbraw/zinc/07/40/74/546074074.db2.gz APMJMEHLUQGPGG-JKSUJKDBSA-N 2 0 314.393 0.872 10 0 DCAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1CC[NH3+] ZINC000723890012 657722767 /nfs/dbraw/zinc/72/27/67/657722767.db2.gz DDKRMWSWSYKYHD-MGPQQGTHSA-N 2 0 303.472 0.575 10 0 DCAERP CC1CC[NH+](CCCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722216997 659370350 /nfs/dbraw/zinc/37/03/50/659370350.db2.gz STNMYGVYOIWGKJ-CQSZACIVSA-N 2 0 303.472 0.780 10 0 DCAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309145 659461947 /nfs/dbraw/zinc/46/19/47/659461947.db2.gz DGIGRTCKXKADAG-HIFRSBDPSA-N 2 0 306.410 0.903 10 0 DCAERP